atmdata.py

'''
The entries here are:

  XrayFF: a dict of form factor coefficients

  AtmSize: atom Sizes, bond radii, angle radii, H-bond radii

  AtmBlens: atom masses & neutron scattering length (b,b'), sig(incoh) @ 1A

  MagFF: neutron magnetic form factor coeff: M for j<0> & N for j<2>

Sources:
  
           Exponential scattering factor curve coeficients, Cromer and
           Waber(1971) Int. Tables Vol. IV. Delta f' and delta f" terms calcd via
           D.T. Cromer & D.A. Liberman (1981), Acta Cryst. A37, 267-268.
           Atomic weights from CRC 56th Edition
           
           Electron scattering factor curve coefficients from International Tables for Crystallography, Vol. C,
           Ch 4. Sect. 4.3.2.

           Neutron scattering lengths & abs. cross sections from
           H. Rauch & W. Waschowski, Neutron Data Booklet, 2003.  X-ray
           <j0> & <j2> coeff. from Intl. Tables for Cryst, Vol. C
           5-d <j0> & <j2> from Kobayashi K, Nagao T, Ito M.
           Acta Crystallogr A67, 473-480 (2011)

           Neutron anomalous coeff (LS) from fitting Lynn & Seeger, At. Data & Nuc. Data Tables, 44, 191-207(1990)

           O2- x-ray scattering factor from Tokonami (1965) Acta Cryst 19, 486

           At wts from 14th ed Nuclides & Isotopes, 1989 GE Co.
           
           Orbital form factors from fitting Table 2.2D in International Tables for x-ray Crystallography Vol IV
           by Cromer & Waber (1974)

'''
XrayFF = {
#form factor coefficients
    'H':    {'Z':1,'fa':[ .493002,  .322912,  .140191,  .040810],'fb':[  10.5109,  26.1257,  3.14236,  57.7997],'fc':  .003038},
    'H-1':  {'Z':1,'fa':[0.897661, 0.565616,  .415815,  .116973],'fb':[  53.1368,   15.187,  186.576,  3.56709],'fc':  .002389},
    'D':    {'Z':1,'fa':[ .493002,  .322912,  .140191,  .040810],'fb':[  10.5109,  26.1257,  3.14236,  57.7997],'fc':  .003038},
    'D-1':  {'Z':1,'fa':[0.897661, 0.565616,  .415815,  .116973],'fb':[  53.1368,   15.187,  186.576,  3.56709],'fc':  .002389},
    'T':    {'Z':1,'fa':[ .493002,  .322912,  .140191,  .040810],'fb':[  10.5109,  26.1257,  3.14236,  57.7997],'fc':  .003038},
    'T-1':  {'Z':1,'fa':[0.897661, 0.565616,  .415815,  .116973],'fb':[  53.1368,   15.187,  186.576,  3.56709],'fc':  .002389},
    'He':   {'Z':2,'fa':[  0.8734,   0.6309,   0.3112,    0.178],'fb':[   9.1037,   3.3568,  22.9276,   0.9821],'fc':   0.0064},
    'Li':   {'Z':3,'fa':[  1.1282,   0.7508,   0.6175,   0.4653],'fb':[   3.9546,   1.0524,  85.3905,  168.261],'fc':   0.0377},
    'Li+1': {'Z':3,'fa':[  0.6968,   0.7888,   0.3414,   0.1563],'fb':[   4.6237,   1.9557,   0.6316,  10.0953],'fc':   0.0167},
    'Be':   {'Z':4,'fa':[  1.5919,   1.1278,   0.5391,   0.7029],'fb':[  43.6427,   1.8623,  103.483,    0.542],'fc':   0.0385},
    'Be+2': {'Z':4,'fa':[  6.2603,   0.8849,   0.7993,   0.1647],'fb':[   0.0027,   0.8313,   2.2758,   5.1146],'fc':  -6.1092},
    'B':    {'Z':5,'fa':[  2.0545,   1.3326,   1.0979,   0.7068],'fb':[  23.2185,    1.021,  60.3498,   0.1403],'fc':  -0.1932},
    'C':    {'Z':6,'fa':[    2.31,     1.02,   1.5886,    0.865],'fb':[  20.8439,  10.2075,   0.5687,  51.6512],'fc':   0.2156},
#   'CV':   {'Z':6,'fa':[ 2.26069,  1.56165,  1.05075, 0.839259],'fb':[  22.6907, 0.656665,  9.75618,  55.5949],'fc': 0.286977},
    'N':    {'Z':7,'fa':[ 12.2126,   3.1322,   2.0125,   1.1663],'fb':[   0.0057,   9.8933,  28.9975,   0.5826],'fc':  -11.529},
    'O':    {'Z':8,'fa':[  3.0485,   2.2868,   1.5463,    0.867],'fb':[  13.2771,   5.7011,   0.3239,  32.9089],'fc':   0.2508},
    'O-1':  {'Z':8,'fa':[  4.1916,  1.63969,  1.52673,  -20.307],'fb':[  12.8573,  4.17236,  47.0179, -0.01404],'fc':  21.9412},
    'O-2':  {'Z':8,'fa':[ 3.76936,  2.53342,  1.91579,  1.55094],'fb':[  15.0797,  6.30430,  40.3445,  0.31291],'fc':  0.22789},
    'F':    {'Z':9,'fa':[  3.5392,   2.6412,    1.517,   1.0243],'fb':[  10.2825,   4.2944,   0.2615,  26.1476],'fc':   0.2776},
    'F-1':  {'Z':9,'fa':[  3.6322,  3.51057,  1.26064, 0.940706],'fb':[  5.27756,  14.7353, 0.442258,  47.3437],'fc': 0.653396},
    'Ne':   {'Z':10,'fa':[  3.9553,   3.1125,   1.4546,   1.1251],'fb':[   8.4042,   3.4262,   0.2306,  21.7184],'fc':   0.3515},
    'Na':   {'Z':11,'fa':[  4.7626,   3.1736,   1.2674,   1.1128],'fb':[    3.285,   8.8422,   0.3136,  129.424],'fc':    0.676},
    'Na+1': {'Z':11,'fa':[  3.2565,   3.9362,   1.3998,   1.0032],'fb':[   2.6671,   6.1153,   0.2001,   14.039],'fc':    0.404},
    'Mg':   {'Z':12,'fa':[  5.4204,   2.1735,   1.2269,   2.3073],'fb':[   2.8275,  79.2611,   0.3808,   7.1937],'fc':   0.8584},
    'Mg+2': {'Z':12,'fa':[  3.4988,   3.8378,   1.3284,   0.8497],'fb':[   2.1676,   4.7542,    0.185,  10.1411],'fc':   0.4853},
    'Al':   {'Z':13,'fa':[  6.4202,   1.9002,   1.5936,   1.9646],'fb':[   3.0387,   0.7426,  31.5472,  85.0886],'fc':   1.1151},
    'Al+3': {'Z':13,'fa':[ 4.17448,   3.3876,  1.20296, 0.528137],'fb':[  1.93816,  4.14553, 0.228753,  8.28524],'fc': 0.706786},
    'Si':   {'Z':14,'fa':[  6.2915,   3.0353,   1.9891,    1.541],'fb':[   2.4386,  32.3337,   0.6785,  81.6937],'fc':   1.1407},
    'Si+4': {'Z':14,'fa':[ 4.43918,  3.20345,  1.19453,  0.41653],'fb':[  1.64167,  3.43757,   0.2149,  6.65365],'fc': 0.746297},
#   'SiV':  {'Z':14,'fa':[ 5.66269,  3.07164,  2.62446,   1.3932],'fb':[   2.6652,  38.6634, 0.916946,  93.5458],'fc':  1.24707},
    'P':    {'Z':15,'fa':[  6.4345,   4.1791,     1.78,   1.4908],'fb':[   1.9067,   27.157,    0.526,  68.1645],'fc':   1.1149},
    'S':    {'Z':16,'fa':[  6.9053,   5.2034,   1.4379,   1.5863],'fb':[   1.4679,  22.2151,   0.2536,   56.172],'fc':   0.8669},
    'Cl':   {'Z':17,'fa':[ 11.4604,   7.1964,   6.2556,   1.6455],'fb':[   0.0104,   1.1662,  18.5194,  47.7784],'fc':  -9.5574},
    'Cl-1': {'Z':17,'fa':[ 18.2915,   7.2084,   6.5337,   2.3386],'fb':[   0.0066,   1.1717,  19.5424,  60.4486],'fc':  -16.378},
    'Ar':   {'Z':18,'fa':[  7.4845,   6.7723,   0.6539,   1.6442],'fb':[   0.9072,  14.8407,  43.8983,  33.3929],'fc':   1.4445},
    'K':    {'Z':19,'fa':[  8.2186,   7.4398,   1.0519,   0.8659],'fb':[  12.7949,   0.7748,  213.187,  41.6841],'fc':   1.4228},
    'K+1':  {'Z':19,'fa':[  7.9578,   7.4917,    6.359,   1.1915],'fb':[  12.6331,   0.7674,   -0.002,  31.9128],'fc':  -4.9978},
    'Ca':   {'Z':20,'fa':[  8.6266,   7.3873,   1.5899,   1.0211],'fb':[  10.4421,   0.6599,  85.7484,  178.437],'fc':   1.3751},
    'Ca+2': {'Z':20,'fa':[ 15.6348,   7.9518,   8.4372,   0.8537],'fb':[  -0.0074,   0.6089,  10.3116,  25.9905],'fc':  -14.875},
    'Sc':   {'Z':21,'fa':[   9.189,   7.3679,   1.6409,    1.468],'fb':[   9.0213,   0.5729,  136.108,  51.3531],'fc':   1.3329},
    'Sc+3': {'Z':21,'fa':[ 13.4008,   8.0273,  1.65943,  1.57936],'fb':[  0.29854,   7.9629, -0.28604,  16.0662],'fc':  -6.6667},
    'Ti':   {'Z':22,'fa':[  9.7595,   7.3558,   1.6991,   1.9021],'fb':[   7.8508,      0.5,  35.6338,  116.105],'fc':   1.2807},
    'Ti+2': {'Z':22,'fa':[ 9.11423,  7.62174,   2.2793, 0.087899],'fb':[   7.5243, 0.457585,  19.5361,  61.6558],'fc': 0.897155},
    'Ti+3': {'Z':22,'fa':[ 17.7344,  8.73816,  5.25691,  1.92134],'fb':[  0.22061,  7.04716, -0.15762,  15.9768],'fc':  -14.652},
    'Ti+4': {'Z':22,'fa':[ 19.5114,  8.23473,  2.01341,   1.5208],'fb':[ 0.178847,  6.67018, -0.29263,  12.9464],'fc':   -13.28},
    'V':    {'Z':23,'fa':[ 10.2971,   7.3511,   2.0703,   2.0571],'fb':[   6.8657,   0.4385,  26.8938,  102.478],'fc':   1.2199},
    'V+2':  {'Z':23,'fa':[  10.106,   7.3541,   2.2884,   0.0223],'fb':[   6.8818,   0.4409,  20.3004,  115.122],'fc':   1.2298},
    'V+3':  {'Z':23,'fa':[ 9.43141,   7.7419,  2.15343, 0.016865],'fb':[  6.39535, 0.383349,  15.1908,  63.969 ],'fc': 0.656565},
    'V+5':  {'Z':23,'fa':[ 15.6887,  8.14208,  2.03081,   -9.576],'fb':[ 0.679003,  5.40135,  9.97278, 0.940464],'fc':   1.7143},
    'Cr':   {'Z':24,'fa':[ 10.6406,   7.3537,    3.324,   1.4922],'fb':[   6.1038,    0.392,  20.2626,  98.7399],'fc':   1.1832},
    'Cr+2': {'Z':24,'fa':[ 9.54034,   7.7509,  3.58274, 0.509107],'fb':[  5.66078, 0.344261,  13.3075,  32.4224],'fc': 0.616898},
    'Cr+3': {'Z':24,'fa':[  9.6809,  7.81136,  2.87603, 0.113575],'fb':[  5.59463, 0.334393,  12.8288,  32.8761],'fc': 0.518275},
    'Mn':   {'Z':25,'fa':[ 11.2819,   7.3573,   3.0193,   2.2441],'fb':[   5.3409,   0.3432,  17.8674,  83.7543],'fc':   1.0896},
    'Mn+2': {'Z':25,'fa':[ 10.8061,    7.362,   3.5268,   0.2184],'fb':[   5.2796,   0.3435,   14.343,  41.3235],'fc':   1.0874},
    'Mn+3': {'Z':25,'fa':[ 9.84521,  7.87194,  3.56531, 0.323613],'fb':[  4.91797, 0.294393,  10.8171,  24.1281],'fc': 0.393974},
    'Mn+4': {'Z':25,'fa':[ 9.96253,  7.97057,  2.76067, 0.054447],'fb':[   4.8485, 0.283303,  10.4852,   27.573],'fc': 0.251877},
    'Fe':   {'Z':26,'fa':[ 11.7695,   7.3573,   3.5222,   2.3045],'fb':[   4.7611,   0.3072,  15.3535,  76.8805],'fc':   1.0369},
    'Fe+2': {'Z':26,'fa':[ 11.0424,    7.374,   4.1346,   0.4399],'fb':[   4.6538,   0.3053,  12.0546,  31.2809],'fc':   1.0097},
    'Fe+3': {'Z':26,'fa':[ 11.1764,   7.3863,   3.3948,   0.0724],'fb':[   4.6147,   0.3005,  11.6729,  38.5566],'fc':   0.9707},
    'Co':   {'Z':27,'fa':[ 12.2841,   7.3409,   4.0034,   2.3488],'fb':[   4.2791,   0.2784,  13.5359,  71.1692],'fc':   1.0118},
    'Co+2': {'Z':27,'fa':[ 11.2296,   7.3883,   4.7393,   0.7108],'fb':[   4.1231,   0.2726,  10.2443,  25.6466],'fc':   0.9324},
    'Co+3': {'Z':27,'fa':[  10.338,  7.88173,  4.76795, 0.725591],'fb':[  3.90969, 0.238668,  8.35583,  18.3491],'fc': 0.286667},
    'Ni':   {'Z':28,'fa':[ 12.8376,    7.292,   4.4438,     2.38],'fb':[   3.8785,   0.2565,  12.1763,  66.3421],'fc':   1.0341},
    'Ni+2': {'Z':28,'fa':[ 11.4166,   7.4005,   5.3442,   0.9773],'fb':[   3.6766,   0.2449,    8.873,  22.1626],'fc':   0.8614},
    'Ni+3': {'Z':28,'fa':[ 10.7806,  7.75868,  5.22746, 0.847114],'fb':[   3.5477,  0.22314,  7.64468,  16.9673],'fc': 0.386044},
    'Cu':   {'Z':29,'fa':[  13.338,   7.1676,   5.6158,   1.6735],'fb':[   3.5828,    0.247,  11.3966,  64.8126],'fc':    1.191},
    'Cu+1': {'Z':29,'fa':[ 11.9475,   7.3573,   6.2455,   1.5578],'fb':[   3.3669,   0.2274,   8.6625,  25.8487],'fc':     0.89},
    'Cu+2': {'Z':29,'fa':[ 11.8168,  7.11181,  5.78135,  1.14523],'fb':[  3.37484, 0.244078,   7.9876,   19.897],'fc':  1.14431},
    'Zn':   {'Z':30,'fa':[ 14.0743,   7.0318,   5.1652,     2.41],'fb':[   3.2655,   0.2333,  10.3163,  58.7097],'fc':   1.3041},
    'Zn+2': {'Z':30,'fa':[ 11.9719,   7.3862,   6.4668,    1.394],'fb':[   2.9946,   0.2031,   7.0826,  18.0995],'fc':   0.7807},
    'Ga':   {'Z':31,'fa':[ 15.2354,   6.7006,   4.3591,   2.9623],'fb':[   3.0669,   0.2412,  10.7805,  61.4135],'fc':   1.7189},
    'Ga+3': {'Z':31,'fa':[  12.692,  6.69883,  6.06692,   1.0066],'fb':[  2.81262,  0.22789,  6.36441,  14.4122],'fc':  1.53545},
    'Ge':   {'Z':32,'fa':[ 16.0816,   6.3747,   3.7068,    3.683],'fb':[   2.8509,   0.2516,  11.4468,  54.7625],'fc':   2.1313},
    'Ge+4': {'Z':32,'fa':[ 12.9172,  6.70003,  6.06791, 0.859041],'fb':[  2.53718, 0.205855,  5.47913,   11.603],'fc':  1.45572},
    'As':   {'Z':33,'fa':[ 16.6723,   6.0701,   3.4313,   4.2779],'fb':[   2.6345,   0.2647,  12.9479,  47.7972],'fc':    2.531},
    'Se':   {'Z':34,'fa':[ 17.0006,   5.8196,   3.9731,   4.3543],'fb':[   2.4098,   0.2726,  15.2372,  43.8163],'fc':   2.8409},
    'Br':   {'Z':35,'fa':[ 17.1789,   5.2358,   5.6377,   3.9851],'fb':[   2.1723,  16.5796,   0.2609,  41.4328],'fc':   2.9557},
    'Br-1': {'Z':35,'fa':[ 17.1718,   6.3338,   5.5754,   3.7272],'fb':[   2.2059,  19.3345,   0.2871,  58.1535],'fc':   3.1776},
    'Kr':   {'Z':36,'fa':[ 17.3555,   6.7286,   5.5493,   3.5375],'fb':[   1.9384,  16.5623,   0.2261,  39.3972],'fc':    2.825},
    'Rb':   {'Z':37,'fa':[ 17.1784,   9.6435,   5.1399,   1.5292],'fb':[   1.7888,  17.3151,   0.2748,  164.934],'fc':   3.4873},
    'Rb+1': {'Z':37,'fa':[ 17.5816,   7.6598,   5.8981,   2.7817],'fb':[   1.7139,  14.7957,   0.1603,  31.2087],'fc':   2.0782},
    'Sr':   {'Z':38,'fa':[ 17.5663,   9.8184,    5.422,   2.6694],'fb':[   1.5564,  14.0988,   0.1664,  132.376],'fc':   2.5064},
    'Sr+2': {'Z':38,'fa':[ 18.0874,   8.1373,   2.5654,  -34.193],'fb':[   1.4907,  12.6963,  24.5651,  -0.0138],'fc':  41.4025},
    'Y':    {'Z':39,'fa':[  17.776,  10.2946,  5.72629,  3.26588],'fb':[   1.4029,  12.8006, 0.125599,  104.354],'fc':  1.91213},
    'Y+3':  {'Z':39,'fa':[ 17.9268,   9.1531,  1.76795,  -33.108],'fb':[  1.35417,  11.2145,  22.6599, -0.01319],'fc':  40.2602},
    'Zr':   {'Z':40,'fa':[ 17.8765,   10.948,  5.41732,  3.65721],'fb':[  1.27618,   11.916, 0.117622,  87.6627],'fc':  2.06929},
    'Zr+4': {'Z':40,'fa':[ 18.1668,  10.0562,  1.01118,  -2.6479],'fb':[   1.2148,  10.1483,  21.6054, -0.10276],'fc':  9.41454},
    'Nb':   {'Z':41,'fa':[ 17.6142,  12.0144,  4.04183,  3.53346],'fb':[  1.18865,   11.766, 0.204785,  69.7957],'fc':  3.75591},
    'Nb+3': {'Z':41,'fa':[ 19.8812,  18.0653,  11.0177,  1.94715],'fb':[ 0.019175,  1.13305,  10.1621,  28.3389],'fc':  -12.912},
    'Nb+5': {'Z':41,'fa':[ 17.9163,  13.3417,   10.799, 0.337905],'fb':[  1.12446, 0.028781,  9.28206,  25.7228],'fc':  -6.3934},
    'Mo':   {'Z':42,'fa':[  3.7025,  17.2356,  12.8876,   3.7429],'fb':[   0.2772,   1.0958,   11.004,  61.6584],'fc':   4.3875},
    'Mo+3': {'Z':42,'fa':[ 21.1664,  18.2017,  11.7423,  2.30951],'fb':[ 0.014734,  1.03031,  9.53659,  26.6307],'fc':  -14.421},
    'Mo+5': {'Z':42,'fa':[ 21.0149,  18.0992,  11.4632, 0.740625],'fb':[ 0.014345,  1.02238,  8.78809,  23.3452],'fc':  -14.316},
    'Mo+6': {'Z':42,'fa':[ 17.8871,   11.175,  6.57891,      0.0],'fb':[  1.03649,  8.48061, 0.058881,      0.0],'fc': 0.344941},
    'Tc':   {'Z':43,'fa':[ 19.1301,  11.0948,  4.64901,  2.71263],'fb':[ 0.864132,  8.14487,  21.5707,  86.8472],'fc':  5.40428},
    'Ru':   {'Z':44,'fa':[ 19.2674,  12.9182,  4.86337,  1.56756],'fb':[  0.80852,  8.43467,  24.7997,  94.2928],'fc':  5.37874},
    'Ru+3': {'Z':44,'fa':[ 18.5638,  13.2885,  9.32602,  3.00964],'fb':[ 0.847329,  8.37164, 0.017662,   22.887],'fc':  -3.1892},
    'Ru+4': {'Z':44,'fa':[ 18.5003,  13.1787,  4.71304,  2.18535],'fb':[ 0.844582,  8.12534,  0.36495,  20.8504],'fc':  1.42357},
    'Rh':   {'Z':45,'fa':[ 19.2957,  14.3501,  4.73425,  1.28918],'fb':[ 0.751536,  8.21758,  25.8749,  98.6062],'fc':    5.328},
    'Rh+3': {'Z':45,'fa':[ 18.8785,  14.1259,  3.32515,  -6.1989],'fb':[ 0.764252,  7.84438,  21.2487, -0.01036],'fc':  11.8678},
    'Rh+4': {'Z':45,'fa':[ 18.8545,  13.9806,  2.53464,  -5.6526],'fb':[ 0.760825,  7.62436,  19.3317,  -0.0102],'fc':  11.2835},
    'Pd':   {'Z':46,'fa':[ 19.3319,  15.5017,  5.29537, 0.605844],'fb':[ 0.698655,  7.98929,  25.2052,  76.8986],'fc':  5.26593},
    'Pd+2': {'Z':46,'fa':[ 19.1701,  15.2096,  4.32234,      0.0],'fb':[ 0.696219,  7.55573,  22.5057,      0.0],'fc':   5.2916},
    'Pd+4': {'Z':46,'fa':[ 19.2493,    14.79,  2.89289,  -7.9492],'fb':[ 0.683839,  7.14833,  17.9144, 0.005127],'fc':  13.0174},
    'Ag':   {'Z':47,'fa':[ 19.2808,  16.6885,   4.8045,   1.0463],'fb':[   0.6446,   7.4726,  24.6605,  99.8156],'fc':    5.179},
    'Ag+1': {'Z':47,'fa':[ 19.1812,  15.9719,  5.27475, 0.357534],'fb':[ 0.646179,  7.19123,  21.7326,  66.1147],'fc':  5.21572},
    'Ag+2': {'Z':47,'fa':[ 19.1643,  16.2456,   4.3709,      0.0],'fb':[ 0.645643,  7.18544,  21.4072,      0.0],'fc':  5.21404},
    'Cd':   {'Z':48,'fa':[ 19.2214,  17.6444,    4.461,   1.6029],'fb':[   0.5946,   6.9089,  24.7008,  87.4825],'fc':   5.0694},
    'Cd+2': {'Z':48,'fa':[ 19.1514,  17.2535,  4.47128,      0.0],'fb':[ 0.597922,  6.80639,  20.2521,      0.0],'fc':  5.11937},
    'In':   {'Z':49,'fa':[ 19.1624,  18.5596,   4.2948,   2.0396],'fb':[   0.5476,   6.3776,  25.8499,  92.8029],'fc':   4.9391},
    'In+3': {'Z':49,'fa':[ 19.1045,  18.1108,  3.78897,      0.0],'fb':[ 0.551522,   6.3247,  17.3595,      0.0],'fc':  4.99635},
    'Sn':   {'Z':50,'fa':[ 19.1889,  19.1005,   4.4585,   2.4663],'fb':[   5.8303,   0.5031,  26.8909,  83.9571],'fc':   4.7821},
    'Sn+2': {'Z':50,'fa':[ 19.1094,  19.0548,   4.5648,    0.487],'fb':[   0.5036,   5.8378,  23.3752,  62.2061],'fc':   4.7861},
    'Sn+4': {'Z':50,'fa':[ 18.9333,  19.7131,   3.4182,   0.0193],'fb':[    5.764,   0.4655,  14.0049,  -0.7583],'fc':   3.9182},
    'Sb':   {'Z':51,'fa':[ 19.6418,  19.0455,   5.0371,   2.6827],'fb':[   5.3034,   0.4607,  27.9074,  75.2825],'fc':   4.5909},
    'Sb+3': {'Z':51,'fa':[ 18.9755,   18.933,  5.10789, 0.288753],'fb':[ 0.467196,  5.22126,  19.5902,  55.5113],'fc':  4.69626},
    'Sb+5': {'Z':51,'fa':[ 19.8685,  19.0302,  2.41253,      0.0],'fb':[  5.44853, 0.467973,  14.1259,      0.0],'fc':  4.69263},
    'Te':   {'Z':52,'fa':[ 19.9644,  19.0138,  6.14487,   2.5239],'fb':[  4.81742, 0.420885,  28.5284,  70.8403],'fc':    4.352},
    'I':    {'Z':53,'fa':[ 20.1472,  18.9949,   7.5138,   2.2735],'fb':[    4.347,   0.3814,   27.766,  66.8776],'fc':   4.0712},
    'I-1':  {'Z':53,'fa':[ 20.2332,   18.997,   7.8069,   2.8868],'fb':[   4.3579,   0.3815,  29.5259,  84.9304],'fc':   4.0714},
    'Xe':   {'Z':54,'fa':[ 20.2933,  19.0298,   8.9767,     1.99],'fb':[   3.9282,    0.344,  26.4659,  64.2658],'fc':   3.7118},
    'Cs':   {'Z':55,'fa':[ 20.3892,  19.1062,   10.662,   1.4953],'fb':[    3.569,   0.3107,  24.3879,  213.904],'fc':   3.3352},
    'Cs+1': {'Z':55,'fa':[ 20.3524,  19.1278,  10.2821,   0.9615],'fb':[    3.552,   0.3086,  23.7128,  59.4565],'fc':   3.2791},
    'Ba':   {'Z':56,'fa':[ 20.3361,   19.297,   10.888,   2.6959],'fb':[    3.216,   0.2756,  20.2073,  167.202],'fc':   2.7731},
    'Ba+2': {'Z':56,'fa':[ 20.1807,  19.1136,  10.9054,  0.77634],'fb':[  3.21367,  0.28331,  20.0558,   51.746],'fc':  3.02902},
    'La':   {'Z':57,'fa':[  20.578,   19.599,  11.3727,  3.28719],'fb':[  2.94817, 0.244475,  18.7726,  133.124],'fc':  2.14678},
    'La+3': {'Z':57,'fa':[ 20.2489,  19.3763,  11.6323, 0.336048],'fb':[   2.9207, 0.250698,  17.8211,  54.9453],'fc':   2.4086},
    'Ce':   {'Z':58,'fa':[ 21.1671,  19.7695,  11.8513,  3.33049],'fb':[  2.81219, 0.226836,  17.6083,  127.113],'fc':  1.86264},
    'Ce+3': {'Z':58,'fa':[ 20.8036,   19.559,  11.9369, 0.612376],'fb':[  2.77691,  0.23154,  16.5408,  43.1692],'fc':  2.09013},
    'Ce+4': {'Z':58,'fa':[ 20.3235,  19.8186,  12.1233, 0.144583],'fb':[  2.65941,  0.21885,  15.7992,  62.2355],'fc':   1.5918},
    'Pr':   {'Z':59,'fa':  [22.044,  19.6697,  12.3856,  2.82428],'fb':[   2.77393, 0.222087,  16.7669,  143.644],'fc':   2.0583},
    'Pr+3': {'Z':59,'fa':[ 21.3727,  19.7491,  12.1329,  0.97518],'fb':[   2.6452, 0.214299,   15.323,  36.4065],'fc':  1.77132},
    'Pr+4': {'Z':59,'fa':[ 20.9413,  20.0539,  12.4668, 0.296689],'fb':[  2.54467, 0.202481,  14.8137,  45.4643],'fc':  1.24285},
    'Nd':   {'Z':60,'fa':[ 22.6845,  19.6847,   12.774,  2.85137],'fb':[  2.66248, 0.210628,   15.885,  137.903],'fc':  1.98486},
    'Nd+3': {'Z':60,'fa':[  21.961,  19.9339,    12.12,  1.51031],'fb':[  2.52722, 0.199237,  14.1783,  30.8717],'fc':  1.47588},
    'Pm':   {'Z':61,'fa':[ 23.3405,  19.6095,  13.1235,  2.87516],'fb':[   2.5627, 0.202088,  15.1009,  132.721],'fc':  2.02876},
    'Pm+3': {'Z':61,'fa':[ 22.5527,  20.1108,  12.0671,  2.07492],'fb':[   2.4174, 0.185769,  13.1275,  27.4491],'fc':  1.19499},
    'Sm':   {'Z':62,'fa':[ 24.0042,  19.4258,  13.4396,  2.89604],'fb':[  2.47274, 0.196451,  14.3996,  128.007],'fc':  2.20963},
    'Sm+3': {'Z':62,'fa':[ 23.1504,  20.2599,  11.9202,  2.71488],'fb':[  2.31641, 0.174081,  12.1571,  24.8242],'fc': 0.954586},
    'Eu':   {'Z':63,'fa':[ 24.6274,  19.0886,  13.7603,   2.9227],'fb':[   2.3879,   0.1942,  13.7546,  123.174],'fc':   2.5745},
    'Eu+2': {'Z':63,'fa':[ 24.0063,  19.9504,  11.8034,  3.87243],'fb':[  2.27783,  0.17353,  11.6096,  26.5156],'fc':  1.36389},
    'Eu+3': {'Z':63,'fa':[ 23.7497,  20.3745,  11.8509,  3.26503],'fb':[  2.22258,  0.16394,   11.311,  22.9966],'fc': 0.759344},
    'Gd':   {'Z':64,'fa':[ 25.0709,  19.0798,  13.8518,  3.54545],'fb':[  2.25341, 0.181951,  12.9331,  101.398],'fc':   2.4196},
    'Gd+3': {'Z':64,'fa':[ 24.3466,  20.4208,  11.8708,   3.7149],'fb':[  2.13553, 0.155525,  10.5782,  21.7029],'fc': 0.645089},
    'Tb':   {'Z':65,'fa':[ 25.8976,  18.2185,  14.3167,  2.95354],'fb':[  2.24256, 0.196143,  12.6648,  115.362],'fc':  3.58324},
    'Tb+3': {'Z':65,'fa':[ 24.9559,  20.3271,  12.2471,    3.773],'fb':[  2.05601, 0.149525,  10.0499,  21.2773],'fc': 0.691967},
    'Dy':   {'Z':66,'fa':[  26.507,  17.6383,  14.5596,  2.96577],'fb':[   2.1802, 0.202172,  12.1899,  111.874],'fc':  4.29728},
    'Dy+3': {'Z':66,'fa':[ 25.5395,  20.2861,  11.9812,  4.50073],'fb':[   1.9804, 0.143384,  9.34972,   19.581],'fc':  0.68969},
    'Ho':   {'Z':67,'fa':[ 26.9049,   17.294,  14.5583,  3.63837],'fb':[  2.07051,  0.19794,  11.4407,  92.6566],'fc':  4.56796},
    'Ho+3': {'Z':67,'fa':[ 26.1296,  20.0994,  11.9788,  4.93676],'fb':[  1.91072, 0.139358,  8.80018,  18.5908],'fc': 0.852795},
    'Er':   {'Z':68,'fa':[ 27.6563,  16.4285,  14.9779,  2.98233],'fb':[  2.07356, 0.223545,  11.3604,  105.703],'fc':  5.92046},
    'Er+3': {'Z':68,'fa':[  26.722,  19.7748,  12.1506,  5.17379],'fb':[  1.84659,  0.13729,  8.36225,  17.8974],'fc':  1.17613},
    'Tm':   {'Z':69,'fa':[ 28.1819,  15.8851,  15.1542,  2.98706],'fb':[  2.02859, 0.238849,  10.9975,  102.961],'fc':  6.75621},
    'Tm+3': {'Z':69,'fa':[ 27.3083,   19.332,  12.3339,  5.38348],'fb':[  1.78711, 0.136974,  7.96778,  17.2922],'fc':  1.63929},
    'Yb':   {'Z':70,'fa':[ 28.6641,  15.4345,  15.3087,  2.98963],'fb':[   1.9889, 0.257119,  10.6647,  100.417],'fc':  7.56672},
    'Yb+2': {'Z':70,'fa':[ 28.1209,  17.6817,  13.3335,  5.14657],'fb':[  1.78503,  0.15997,  8.18304,    20.39],'fc':  3.70983},
    'Yb+3': {'Z':70,'fa':[ 27.8917,  18.7614,  12.6072,  5.47647],'fb':[  1.73272,  0.13879,  7.64412,  16.8153],'fc':  2.26001},
    'Lu':   {'Z':71,'fa':[ 28.9476,  15.2208,     15.1,  3.71601],'fb':[  1.90182,  9.98519, 0.261033,  84.3298],'fc':  7.97628},
    'Lu+3': {'Z':71,'fa':[ 28.4628,   18.121,  12.8429,  5.59415],'fb':[  1.68216, 0.142292,  7.33727,  16.3535],'fc':  2.97573},
    'Hf':   {'Z':72,'fa':[  29.144,  15.1726,  14.7586,  4.30013],'fb':[  1.83262,   9.5999, 0.275116,   72.029],'fc':  8.58154},
    'Hf+4': {'Z':72,'fa':[ 28.8131,  18.4601,  12.7285,  5.59927],'fb':[  1.59136, 0.128903,  6.76232,  14.0366],'fc':  2.39699},
    'Ta':   {'Z':73,'fa':[ 29.2024,  15.2293,  14.5135,  4.76492],'fb':[  1.77333,  9.37046, 0.295977,  63.3644],'fc':  9.24354},
    'Ta+5': {'Z':73,'fa':[ 29.1587,  18.8407,  12.8268,  5.38695],'fb':[  1.50711, 0.116741,  6.31524,  12.4244],'fc':  1.78555},
    'W':    {'Z':74,'fa':[ 29.0818,    15.43,  14.4327,  5.11982],'fb':[  1.72029,   9.2259, 0.321703,   57.056],'fc':   9.8875},
    'W+6':  {'Z':74,'fa':[ 29.4936,  19.3763,  13.0544,  5.06412],'fb':[  1.42755, 0.104621,  5.93667,  11.1972],'fc':  1.01074},
    'Re':   {'Z':75,'fa':[ 28.7621,  15.7189,  14.5564,  5.44174],'fb':[  1.67191,  9.09227,   0.3505,  52.0861],'fc':   10.472},
    'Os':   {'Z':76,'fa':[ 28.1894,   16.155,  14.9305,  5.67589],'fb':[  1.62903,  8.97948, 0.382661,  48.1647],'fc':  11.0005},
    'Os+4': {'Z':76,'fa':[  30.419,  15.2637,  14.7458,  5.06795],'fb':[  1.37113,  6.84706, 0.165191,   18.003],'fc':  6.49804},
    'Ir':   {'Z':77,'fa':[ 27.3049,  16.7296,  15.6115,  5.83377],'fb':[  1.59279,  8.86553, 0.417916,  45.0011],'fc':  11.4722},
    'Ir+3': {'Z':77,'fa':[ 30.4156,   15.862,  13.6145,  5.82008],'fb':[  1.34323,  7.10909, 0.204633,  20.3254],'fc':  8.27903},
    'Ir+4': {'Z':77,'fa':[ 30.7058,  15.5512,  14.2326,  5.53672],'fb':[  1.30923,  6.71983, 0.167252,  17.4911],'fc':  6.96824},
    'Pt':   {'Z':78,'fa':[ 27.0059,  17.7639,  15.7131,   5.7837],'fb':[  1.51293,  8.81174, 0.424593,  38.6103],'fc':  11.6883},
    'Pt+2': {'Z':78,'fa':[ 29.8429,  16.7224,  13.2153,  6.35234],'fb':[  1.32927,  7.38979, 0.263297,  22.9426],'fc':  9.85329},
    'Pt+4': {'Z':78,'fa':[ 30.9612,  15.9829,  13.7348,  5.92034],'fb':[  1.24813,  6.60834,  0.16864,  16.9392],'fc':  7.39534},
    'Au':   {'Z':79,'fa':[ 16.8819,  18.5913,  25.5582,     5.86],'fb':[   0.4611,   8.6216,   1.4826,  36.3956],'fc':  12.0658},
    'Au+1': {'Z':79,'fa':[ 28.0109,  17.8204,  14.3359,  6.58077],'fb':[  1.35321,   7.7395, 0.356752,  26.4043],'fc':  11.2299},
    'Au+3': {'Z':79,'fa':[ 30.6886,  16.9029,  12.7801,  6.52354],'fb':[   1.2199,  6.82872, 0.212867,   18.659],'fc':   9.0968},
    'Hg':   {'Z':80,'fa':[ 20.6809,  19.0417,  21.6575,   5.9676],'fb':[    0.545,   8.4484,   1.5729,  38.3246],'fc':  12.6089},
    'Hg+1': {'Z':80,'fa':[ 25.0853,  18.4973,  16.8883,  6.48216],'fb':[  1.39507,  7.65105, 0.443378,  28.2262],'fc':  12.0205},
    'Hg+2': {'Z':80,'fa':[ 29.5641,    18.06,  12.8374,  6.89912],'fb':[  1.21152,  7.05639, 0.284738,  20.7482],'fc':  10.6268},
    'Tl':   {'Z':81,'fa':[ 27.5446,  19.1584,   15.538,  5.52593],'fb':[  0.65515,  8.70751,  1.96347,  45.8149],'fc':  13.1746},
    'Tl+1': {'Z':81,'fa':[ 21.3985,  20.4723,  18.7478,  6.82847],'fb':[   1.4711, 0.517394,  7.43463,  28.8482],'fc':  12.5258},
    'Tl+3': {'Z':81,'fa':[ 30.8695,  18.3481,  11.9328,  7.00574],'fb':[   1.1008,  6.53852, 0.219074,  17.2114],'fc':   9.8027},
    'Pb':   {'Z':82,'fa':[ 31.0617,  13.0637,   18.442,   5.9696],'fb':[   0.6902,   2.3576,    8.618,  47.2579],'fc':  13.4118},
    'Pb+2': {'Z':82,'fa':[ 21.7886,  19.5682,  19.1406,  7.01107],'fb':[   1.3366, 0.488383,   6.7727,  23.8132],'fc':  12.4734},
    'Pb+4': {'Z':82,'fa':[ 32.1244,  18.8003,  12.0175,  6.96886],'fb':[  1.00566,  6.10926, 0.147041,   14.714],'fc':  8.08428},
    'Bi':   {'Z':83,'fa':[ 33.3689,   12.951,  16.5877,   6.4692],'fb':[    0.704,   2.9238,   8.7937,  48.0093],'fc':  13.5782},
    'Bi+3': {'Z':83,'fa':[ 21.8053,  19.5026,  19.1053,  7.10295],'fb':[   1.2356,  6.24149, 0.469999,  20.3185],'fc':  12.4711},
    'Bi+5': {'Z':83,'fa':[ 33.5364,  25.0946,  19.2497,  6.91555],'fb':[  0.91654,  0.39042,  5.71414,  12.8285],'fc':  -6.7994},
    'Po':   {'Z':84,'fa':[ 34.6726,  15.4733,  13.1138,  7.02588],'fb':[ 0.700999,  3.55078,  9.55642,  47.0045],'fc':   13.677},
    'At':   {'Z':85,'fa':[ 35.3163,  19.0211,  9.49887,  7.42518],'fb':[  0.68587,  3.97458,  11.3824,  45.4715],'fc':  13.7108},
    'Rn':   {'Z':86,'fa':[ 35.5631,  21.2816,   8.0037,   7.4433],'fb':[   0.6631,   4.0691,  14.0422,  44.2473],'fc':  13.6905},
    'Fr':   {'Z':87,'fa':[ 35.9299,  23.0547,  12.1439,  2.11253],'fb':[ 0.646453,  4.17619,  23.1052,  150.645],'fc':  13.7247},
    'Ra':   {'Z':88,'fa':[  35.763,  22.9064,  12.4739,  3.21097],'fb':[ 0.616341,  3.87135,  19.9887,  142.325],'fc':  13.6211},
    'Ra+2': {'Z':88,'fa':[  35.215,    21.67,  7.91342,  7.65078],'fb':[ 0.604909,   3.5767,   12.601,  29.8436],'fc':  13.5431},
    'Ac':   {'Z':89,'fa':[ 35.6597,  23.1032,  12.5977,  4.08655],'fb':[ 0.589092,  3.65155,   18.599,   117.02],'fc':  13.5266},
    'Ac+3': {'Z':89,'fa':[ 35.1736,  22.1112,  8.19216,  7.05545],'fb':[ 0.579689,  3.41437,  12.9187,  25.9443],'fc':  13.4637},
    'Th':   {'Z':90,'fa':[ 35.5645,  23.4219,  12.7473,  4.80703],'fb':[ 0.563359,  3.46204,  17.8309,  99.1722],'fc':  13.4314},
    'Th+4': {'Z':90,'fa':[ 35.1007,  22.4418,  9.78554,  5.29444],'fb':[ 0.555054,  3.24498,  13.4661,  23.9533],'fc':   13.376},
    'Pa':   {'Z':91,'fa':[ 35.8847,  23.2948,  14.1891,  4.17287],'fb':[ 0.547751,  3.41519,  16.9235,  105.251],'fc':  13.4287},
    'U':    {'Z':92,'fa':[ 36.0228,  23.4128,  14.9491,    4.188],'fb':[   0.5293,   3.3253,  16.0927,  100.613],'fc':  13.3966},
    'U+3':  {'Z':92,'fa':[ 35.5747,  22.5259,  12.2165,  5.37073],'fb':[  0.52048,  3.12293,  12.7148,  26.3394],'fc':  13.3092},
    'U+4':  {'Z':92,'fa':[ 35.3715,  22.5326,  12.0291,   4.7984],'fb':[ 0.516598,  3.05053,  12.5723,  23.4582],'fc':  13.2671},
    'U+6':  {'Z':92,'fa':[ 34.8509,  22.7584,  14.0099,  1.21457],'fb':[ 0.507079,   2.8903,  13.1767,  25.2017],'fc':  13.1665},
    'Np':   {'Z':93,'fa':[ 36.1874,  23.5964,  15.6402,   4.1855],'fb':[ 0.511929,  3.25396,  15.3622,  97.4908],'fc':  13.3573},
    'Np+3': {'Z':93,'fa':[ 35.7074,   22.613,  12.9898,  5.43227],'fb':[ 0.502322,  3.03807,  12.1449,  25.4928],'fc':  13.2544},
    'Np+4': {'Z':93,'fa':[ 35.5103,  22.5787,  12.7766,  4.92159],'fb':[ 0.498626,  2.96627,  11.9484,  22.7502],'fc':  13.2116},
    'Np+6': {'Z':93,'fa':[ 35.0136,  22.7286,  14.3884,  1.75669],'fb':[  0.48981,  2.81099,    12.33,  22.6581],'fc':  13.113 },
    'Pu':   {'Z':94,'fa':[ 36.5254,  23.8083,  16.7707,  3.47947],'fb':[ 0.499384,  3.26371,  14.9455,   105.98],'fc':  13.3812},
    'Pu+3': {'Z':94,'fa':[   35.84,  22.7169,  13.5807,  5.66016],'fb':[ 0.484938,  2.96118,  11.5331,  24.3992],'fc':  13.1991},
    'Pu+4': {'Z':94,'fa':[ 35.6493,   22.646,  13.3595,  5.18831],'fb':[ 0.481422,   2.8902,   11.316,  21.8301],'fc':  13.1555},
    'Pu+6': {'Z':94,'fa':[ 35.1736,  22.7181,  14.7635,  2.28678],'fb':[ 0.473204,  2.73848,   11.553,  20.9303],'fc':  13.0582},
    'Am':   {'Z':95,'fa':[ 36.6706,  24.0992,  17.3415,  3.49331],'fb':[ 0.483629,  3.20647,  14.3136,  102.273],'fc':  13.3592},
    'Cm':   {'Z':96,'fa':[ 36.6488,  24.4096,   17.399,  4.21665],'fb':[ 0.465154,  3.08997,  13.4346,  88.4834],'fc':  13.2887},
    'Bk':   {'Z':97,'fa':[ 36.7881,  24.7736,  17.8919,  4.23284],'fb':[ 0.451018,  3.04619,  12.8946,   86.003],'fc':  13.2754},
    'Cf':   {'Z':98,'fa':[ 36.9185,  25.1995,  18.3317,  4.24391],'fb':[ 0.437533,  3.00775,  12.4044,  83.7881],'fc':  13.2674},
    'Va':   {'Z':0, 'fa':[ 0.0, 0.0, 0.0, 0.0,],'fb':[ 0.0, 0.0, 0.0, 0.0],'fc': 0.0,},
    'Q':    {'Z':0, 'fa':[ 0.0, 0.0, 0.0, 0.0,],'fb':[ 0.0, 0.0, 0.0, 0.0],'fc': 0.0,},
        }
#Orbital form factors from fitting to Table 2.2D in ITXC Vol IV; terms are : a1,b1,a2,b2,a3,b3,a4,b4,c. Slater/Clementi terms from JANA2006 atom.dat file
OrbFF = {
    'H':{'ZSlater':1.915,'NSlater':[1,1,2,3,4,5,6,7],'SZE':[0.9577,],
         'popCore':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[1,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.99997002, 1.0, 1], [3e-05, 2.0, 1]],},
    'Li':{'ZSlater':1.221,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[2.7217,0.6103,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [1,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
          '1s': [[0.14134, 4.3069, 1], [0.87421, 2.4573, 1], [-0.00221, 7.4527, 2], [0.00693, 1.8504, 2],
                 [-0.0003, 0.7667, 2], [0.00077, 0.6364, 2], [-0.00529, 6.785, 3]],
          '2s': [[-0.02248, 4.3069, 1], [-0.13579001, 2.4573, 1], [-3e-05, 7.4527, 2], [-0.07647, 1.8504, 2],
                 [0.34053001, 0.7667, 2], [0.71569002, 0.6365, 2], [0.00039, 6.785, 3]]},
    'Be':{'ZSlater':1.842,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[3.7120,0.9210,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.28839001, 5.7667, 1], [0.46643999, 3.7116, 1], [0.24793001, 4.4548, 2], [0.00393, 1.2918, 2], [0.00849, 0.8554, 2], 
                [-0.00113, 9.9677, 3], [0.05031, 3.7164, 3]], 
         '2s': [[-0.02019, 5.7531, 1], [-0.15869001, 3.7155, 1], [-0.03506, 4.4661, 2], [0.38819, 1.2924, 2], [0.68549001, 0.8554, 2],
                [0.00039, 9.967, 3], [-0.05987, 3.713, 3]]},
    'B':{'ZSlater':2.464,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[4.7069,1.2325,1.2306,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,1,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.38192001, 7.0227, 1], [0.42017999, 3.9483, 1], [0.23757, 5.7386, 2], [0.00766, 1.5435, 2],
                [0.00903, 1.0802, 2], [-0.00148, 12.73, 3], [-0.00188, 2.7645, 3]],
         '2s': [[-0.017045, 7.0178, 1], [0.325928, 3.9468, 1], [-0.046811, 5.742, 2], [-0.48416099, 1.5438, 2],
                [-0.51874, 1.0804, 2], [-0.000488, 12.7297, 3], [-0.072242, 2.7646, 3]],
         '2p': [[0.00769, 5.7416, 2], [0.0452, 2.6341, 2], [0.18422, 1.834, 2], [0.39469999, 1.1919, 2], [0.43277001, 0.8494, 2]],
         'He core':{'fa':[1.00580 ,0.99264 ,0.00000 ,0.00000],'fb':[1.66638 ,0.38391 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.145
        '<j0> 2s':{'fa':[0.36738 ,0.71937 ,-0.11996 ,0.02989],'fb':[52.05949 ,21.96635 ,3.70349 ,0.66668],'fc':0.00306,'Ne':2},            #Rw: 0.042
        '<j0> 2p':{'fa':[-0.00665 ,0.52806 ,0.47766 ,0.00000],'fb':[1.12887 ,23.38385 ,67.08957 ,0.00000],'fc':0.00000,'Ne':1},            #Rw: 0.163
        '<j2> 2p':{'fa':[0.23370 ,-0.25633 ,-0.03996 ,0.06198],'fb':[9.13064 ,59.11602 ,132.76844 ,2.57310],'fc':0.00058,'Ne':1},          #Rw: 0.140
        '<j1> 2s,2p':{'fa':[0.32761 ,0.05313 ,0.11289 ,-0.49850],'fb':[111.68564 ,10477.89929 ,669.03654 ,13.06583],'fc':0.00479,'Ne':1}}, #Rw: 0.961
    'C':{'ZSlater':3.130,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[5.7026,1.5357,1.5946,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,2,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.36311001, 8.5674, 1], [0.43799901, 4.888, 1], [0.23403899, 6.9922, 2], [0.005501, 2.2638, 2], [0.015065, 1.4753, 2], 
                [-0.005056, 1.1641, 2], [-1.5e-05, 15.4683, 3]], 
         '2s': [[-0.066035, 8.4936, 1], [0.441836, 4.8791, 1], [-0.087353, 7.0499, 2], [-0.393509, 2.2639, 2], [-0.57860899, 1.4752, 2],
                [-0.125934, 1.1635, 2], [-0.000496, 15.466, 3]], 
         '2p': [[0.007068, 7.0471, 2], [0.071982, 3.2247, 2], [0.23192, 2.1828, 2], [0.410597, 1.4397, 2], [0.34987, 1.0234, 2]],
        'He core':{'fa':[0.88409 ,1.11512 ,0.00000 ,0.00000],'fb':[1.22350 ,0.29361 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.072
        '<j0> 2s':{'fa':[0.74236 ,-0.47982 ,0.39412 ,0.33499],'fb':[14.55721 ,1.52572 ,1.28134 ,34.89579],'fc':0.00815,'Ne':2},            #Rw: 0.048
        '<j0> 2p':{'fa':[-0.00542 ,0.53117 ,0.47306 ,0.00000],'fb':[0.58201 ,13.99332 ,43.31547 ,0.00000],'fc':0.00000,'Ne':2},            #Rw: 0.196
        '<j2> 2p':{'fa':[0.06976 ,0.21511 ,-0.22790 ,-0.05803],'fb':[1.67556 ,5.56560 ,35.84610 ,79.49824],'fc':0.00104,'Ne':1},           #Rw: 0.096
        '<j1> 2s,2p':{'fa':[0.32364 ,0.04858 ,0.11278 ,-0.49171],'fb':[72.74030 ,8508.01790 ,462.96637 ,8.09011],'fc':0.00648,'Ne':1}},    #Rw: 0.841
    'N':{'ZSlater':3.811,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[6.6995,1.8343,1.9526,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,3,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.30996999, 10.3409, 1], [0.50752997, 5.9073, 1], [0.20963, 8.3825, 2], [0.02966, 2.758, 2],
                [-0.07656, 1.803, 2], [0.07353, 1.4848, 2], [0.00149, 17.9932, 3]],
         '2s': [[-0.06167, 9.9051, 1], [0.43689999, 5.7436, 1], [-0.07645, 8.3086, 2], [-0.37468001, 2.7616, 2],
                [-0.52263999, 1.8227, 2], [-0.20704, 1.4197, 2], [-0.00046, 17.9816, 3]],
         '2p': [[0.00643, 8.349, 2], [0.083, 3.8827, 2], [0.26010001, 2.5921, 2], [0.41826999, 1.6946, 2], [0.30836001, 1.1912, 2]],
        'He core':{'fa':[0.78650 ,1.21310 ,0.00000 ,0.00000],'fb':[0.94486 ,0.23212 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.036
        '<j0> 2s':{'fa':[0.72081 ,-0.16519 ,0.42748 ,0.00000],'fb':[8.76455 ,2.74770 ,22.67102 ,0.00000],'fc':0.01651,'Ne':2},             #Rw: 0.154
        '<j0> 2p':{'fa':[-0.00463 ,0.54585 ,0.45753 ,0.00000],'fb':[0.30326 ,9.50870 ,31.02729 ,0.00000],'fc':0.00000,'Ne':3},             #Rw: 0.209
        '<j2> 2p':{'fa':[0.07810 ,0.20001 ,-0.20883 ,-0.07084],'fb':[1.21643 ,3.81092 ,23.92523 ,53.94780],'fc':0.00159,'Ne':1},           #Rw: 0.054
        '<j1> 2s,2p':{'fa':[-0.48583 ,0.32128 ,0.11040 ,0.04521],'fb':[5.48551 ,52.12781 ,349.24771 ,6847.87203],'fc':0.00832,'Ne':1}},    #Rw: 0.724
    'O':{'ZSlater':4.497,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[7.6982,2.1303,2.3079,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,4,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.35854, 11.389, 1], [0.46329001, 6.5892, 1], [0.21278, 9.4576, 2], [-0.01355, 3.2487, 2], [0.02844, 2.1613, 2], 
                [0.0014, 1.6418, 2], [0.00083, 20.5052, 3]], 
         '2s': [[0.07478, 9.9028, 1], [0.19686, 5.872, 1], [0.0524, 8.2891, 2], [-0.51068997, 3.0304, 2], [-0.52007002, 1.9109, 2], 
                [-0.07553, 1.5629, 2], [-0.00389, 17.9767, 3]], 
         '2p': [[0.00583, 9.6471, 2], [0.1266, 4.3321, 2], [0.32925999, 2.7505, 2], [0.39488, 1.7525, 2], [0.2321, 1.2465, 2]],
        'He core':{'fa':[0.70952 ,1.29027 ,0.00000 ,0.00000],'fb':[0.75508 ,0.18794 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.019
        '<j0> 2s':{'fa':[0.72731 ,-0.14156 ,0.39516 ,0.00000],'fb':[6.79666 ,1.80663 ,17.32356 ,0.00000],'fc':0.01877,'Ne':2},             #Rw: 0.090
        '<j0> 2p':{'fa':[-0.00408 ,0.55404 ,0.44868 ,0.00000],'fb':[0.12557 ,6.88485 ,23.35385 ,0.00000],'fc':0.00000,'Ne':4},             #Rw: 0.222
        '<j2> 2p':{'fa':[-0.07385 ,0.18904 ,-0.20106 ,0.08383],'fb':[40.51074 ,2.77536 ,17.35282 ,0.92076],'fc':0.00206,'Ne':1},           #Rw: 0.037
        '<j1> 2s,2p':{'fa':[-0.48170 ,0.31734 ,0.10882 ,0.04413],'fb':[3.95931 ,39.05538 ,261.86509 ,4921.30838],'fc':0.00992,'Ne':1}},    #Rw: 0.621
    'F':{'ZSlater':5.186,'NSlater':[2,2,2,3,4,5,6,7],'SZE':[8.6988,2.4245,2.6604,],
         'popCore':[[2,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [2,5,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'He core':{'fa':[0.65125 ,1.34863 ,0.00000 ,0.00000],'fb':[0.61716 ,0.15480 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.010
         '1s': [[0.37283, 12.6673, 1], [0.45184001, 7.4034, 1], [0.21072, 10.6749, 2], [-0.01414, 3.7546, 2],
                [0.02326, 2.5009, 2], [0.00831, 1.8581, 2], [-0.00031, 23.2503, 3]],
         '2s': [[-0.05201, 12.6074, 1], [0.42704999, 7.4115, 1], [-0.05938, 10.7414, 2], [-0.36032, 3.7555, 2],
                [-0.51626998, 2.5011, 2], [-0.23784, 1.8587, 2], [-0.00046, 23.2475, 3]],
         '2p': [[0.00495, 11.0134, 2], [0.13077, 4.9964, 2], [0.33814999, 3.1533, 2], [0.39725, 1.9728, 2], [0.22358, 1.3651, 2]],
        '<j0> 2s':{'fa':[0.73652 ,-0.12904 ,0.37145 ,0.00000],'fb':[5.39654 ,1.26873 ,13.70071 ,0.00000],'fc':0.02078,'Ne':2},             #Rw: 0.058
        '<j0> 2p':{'fa':[0.03811 ,0.52299 ,0.43897 ,0.00000],'fb':[45.06899 ,5.17796 ,15.91403 ,0.00000],'fc':0.00000,'Ne':5},             #Rw: 0.321
        '<j2> 2p':{'fa':[-0.07581 ,0.18382 ,-0.19513 ,0.08491],'fb':[31.66771 ,2.08634 ,13.18751 ,0.70155],'fc':0.00223,'Ne':1},           #Rw: 0.039
        '<j1> 2s,2p':{'fa':[-0.47873 ,0.31301 ,0.10816 ,0.04402],'fb':[2.99490 ,30.21838 ,198.76427 ,3467.96796],'fc':0.01113,'Ne':1}},    #Rw: 0.569
    'Na':{'ZSlater':1.735,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[10.7077,3.0704,3.5275,0.8676,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [1,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.43523201, 15.7894, 1], [0.29707, 9.0739, 1], [0.30252999, 12.7889, 2], [0.01449, 4.754, 2],
                [0.000724, 3.1586, 2], [0.00011, 2.4186, 2], [0.006344, 28.3979, 3], [0.012505, 1.3318, 3],
                [-0.02557, 0.8982, 3], [0.015654, 0.6792, 3]],
         '2s': [[0.04523, 15.3319, 1], [-0.42601001, 9.0929, 1], [0.04761, 13.201, 2], [0.34977999, 4.7458, 2],
                [0.6085, 3.1522, 2], [0.15554, 2.4053, 2], [0.00071, 28.4273, 3], [-0.00167, 1.3179, 3],
                [0.00146, 0.8911, 3], [0.00115, 0.6679, 3]],
         '3s': [[0.01133, 15.3319, 1], [-0.07232, 9.0902, 1], [0.01134, 13.2013, 2], [0.05821, 4.7444, 2],
                [0.09008, 3.1517, 2], [0.04117, 2.4048, 2], [-6e-05, 28.4273, 3], [-0.18368, 1.3187, 3],
                [-0.4711, 0.8918, 3], [-0.40836, 0.6683, 3]],
         '2p': [[0.0047, 13.6175, 2], [0.15803, 6.219, 2], [0.38856, 3.8384, 2], [0.48881, 2.3631, 2],
                [0.04003, 1.5319, 2]],
          },
    'Mg':{'ZSlater':2.219,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[11.7166,3.4315,4.0333,1.1096,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.38809901, 17.497, 1], [0.380683, 10.0348, 1], [0.26272401, 14.2599, 2], [0.008354, 5.1723, 2], [0.012883, 3.5041, 2], 
                [-0.010386, 2.5474, 2], [0.005664, 29.8346, 3], [0.015309, 1.7842, 3], [-0.024776, 1.1843, 3], [0.014185, 0.8725, 3]], 
         '2s': [[0.05062, 17.0234, 1], [-0.44349, 10.0752, 1], [0.04972, 14.6763, 2], [0.35957, 5.1542, 2], [0.69590998, 3.4864, 2], 
                [0.05842, 2.525, 2], [0.00075, 29.902, 3], [-0.0064, 1.7567, 3], [-0.00562, 1.1659, 3], [-0.00415, 0.8244, 3]], 
         '3s': [[0.01523, 17.0241, 1], [-0.09303, 10.0729, 1], [0.01555, 14.6751, 2], [0.07318, 5.152, 2], [0.10169, 3.487, 2], 
                [0.07946, 2.5245, 2], [-0.00037, 29.9018, 3], [-0.23284, 1.7558, 3], [-0.49467, 1.1678, 3], [-0.37818, 0.8243, 3]], 
         '2p': [[0.00469, 14.9022, 2], [0.17601, 6.8071, 2], [0.42002001, 4.1433, 2], [0.45569, 2.7149, 2], [0.01236, 1.4623, 2]]
          },
    'Al':{'ZSlater':2.505,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[12.7293,3.7971,4.5365,1.3500,1.0575,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,1,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.38653001, 18.6021, 1], [0.412653, 10.8603, 1], [0.233808, 15.3696, 2], [-0.019903, 5.7821, 2],
                [0.073742, 4.0277, 2], [-0.064121, 2.8823, 2], [0.004596, 33.5503, 3], [0.043541, 2.129, 3],
                [-0.039615, 1.4178, 3], [0.017009, 1.0521, 3]],
         '2s': [[0.0522, 18.1792, 1], [-0.45533001, 10.8862, 1], [0.0494, 15.759, 2], [0.30269, 5.7626, 2],
                [0.74860001, 4.0086, 2], [0.06373, 2.8675, 2], [0.00068, 33.5797, 3], [-0.00499, 2.1106, 3],
                [-0.00445, 1.3998, 3], [-0.00376, 1.0003, 3]],
         '3s': [[0.01909, 18.1792, 1], [-0.118, 10.8836, 1], [0.01859, 15.7593, 2], [0.07727, 5.7602, 2],
                [0.12561999, 4.0088, 2], [0.13441999, 2.8676, 2], [-0.0004, 33.5797, 3], [-0.30414999, 2.111, 3],
                [-0.54753, 1.4008, 3], [-0.28481001, 1.0014, 3]],
         '2p': [[0.0161, 14.4978, 2], [0.20685001, 6.6568, 2], [0.47284999, 4.2187, 2], [0.3396, 3.0018, 2],
                [0.02346, 11.0819, 3], [0.00413, 1.6784, 3], [-0.00092, 1.0788, 3], [-0.00043, 0.7494, 3]],
         '3p': [[-0.00198, 14.4976, 2], [-0.0495, 6.6568, 2], [-0.05834, 4.2183, 2], [-0.08908, 3.0028, 2],
                [-0.00111, 11.0822, 3], [0.23559, 1.6791, 3], [0.49553999, 1.0792, 3], [0.35898, 0.7494, 3]],
          'Ne core':{'fa':[2.84774 ,5.32035 ,1.82996 ,0.00000],'fb':[5.49992 ,2.09003 ,0.10872 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.034
        '<j0> 3s':{'fa':[0.32148 ,-0.27742 ,0.85373 ,0.10263],'fb':[82.98223 ,7.88384 ,38.89752 ,3.08847],'fc':-0.00052,'Ne':2},           #Rw: 0.053
        '<j0> 3p':{'fa':[0.72023 ,-0.13572 ,0.38876 ,0.02663],'fb':[65.86894 ,12.71510 ,146.55594 ,1.99217],'fc':-0.00011,'Ne':1},         #Rw: 0.039
        '<j2> 3p':{'fa':[0.38882 ,-0.03863 ,-0.37408 ,0.02340],'fb':[21.00005 ,1.96402 ,128.65676 ,1.09496],'fc':0.00120,'Ne':1},          #Rw: 0.380
        '<j1> 3s,3p':{'fa':[0.84762 ,-1.35399 ,0.38895 ,0.11561],'fb':[15.83232 ,20.14684 ,234.90180 ,4133.85923],'fc':-0.00312,'Ne':1}},  #Rw: 1.808
    'Si':{'ZSlater':2.859,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[13.7460,4.1649,5.0367,1.5705,1.2884,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,2,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.39033699, 19.5088, 1], [0.43463799, 11.7585, 1], [0.207461, 16.9621, 2], [0.006778, 6.3693, 2], [0.003486, 4.5748, 2], 
                [0.002075, 3.3712, 2], [-0.003633, 36.5791, 3], [0.000844, 2.4997, 3], [-0.004697, 1.6627, 3], [0.001627, 1.1814, 3]], 
         '2s': [[0.05028, 19.5014, 1], [-0.45644999, 11.759, 1], [0.0444, 16.9662, 2], [0.23655, 6.3708, 2], [0.78151, 4.5748, 2], 
                [0.0944, 3.3716, 2], [0.00116, 36.5767, 3], [-0.00602, 2.4996, 3], [0.00209, 1.6627, 3], [0.00217, 1.1812, 3]], 
         '3s': [[0.02036, 19.5017, 1], [-0.13309, 11.7542, 1], [0.01764, 16.9664, 2], [0.0752, 6.3694, 2], [0.122, 4.575, 2],
                [0.20300999, 3.372, 2], [0.00017, 36.5764, 3], [-0.32126999, 2.5013, 3], [-0.56151003, 1.6635, 3], [-0.27893999, 1.1827, 3]], 
         '2p': [[0.01597, 15.7334, 2], [0.20438001, 7.2926, 2], [0.50146002, 4.6494, 2], [0.30935001, 3.3945, 2], [0.02287, 12.0746, 3],
                [-0.00032, 2.0349, 3], [0.00055, 1.3221, 3], [0.00362, 0.9143, 3]], 
         '3p': [[-0.00225, 15.7304, 2], [-0.05777, 7.2926, 2], [-0.06812, 4.6515, 2], [-0.11262, 3.3985, 2], [-0.0016, 12.0786, 3], 
                [0.2642, 2.0355, 3], [0.52223998, 1.3223, 3], [0.31432, 0.9141, 3]],
          'Ne core':{'fa':[2.66113 ,5.48368 ,1.85416 ,0.00000],'fb':[4.43254 ,1.75474 ,0.09817 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.024
        '<j0> 3s':{'fa':[-0.34504 ,0.29873 ,0.89622 ,0.15091],'fb':[5.73299 ,60.15800 ,28.18338 ,2.60283],'fc':-0.00090,'Ne':2},           #Rw: 0.039
        '<j0> 3p':{'fa':[0.74460 ,-0.16018 ,0.03846 ,0.37703],'fb':[42.90408 ,8.56330 ,1.61029 ,98.66280],'fc':-0.00014,'Ne':2},           #Rw: 0.043
        '<j2> 3p':{'fa':[0.40315 ,-0.03893 ,-0.37135 ,0.01295],'fb':[13.21903 ,2.76916 ,84.84031 ,0.13601],'fc':-0.00494,'Ne':1},          #Rw: 0.481
        '<j1> 3s,3p':{'fa':[0.11926 ,-2.07633 ,0.39780 ,1.55565],'fb':[2485.18638 ,13.50091 ,156.38812 ,11.56651],'fc':-0.00464,'Ne':1}},  #Rw: 1.866
    'P':{'ZSlater':3.232,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[14.7668,4.5345,5.5342,1.7805,1.5066,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,3,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.39703101, 20.8423, 1], [0.42565799, 12.639, 1], [0.20983499, 18.1642, 2], [0.007226, 6.9865, 2],
                [0.00427, 5.1341, 2], [0.001311, 3.7312, 2], [-0.004278, 39.5463, 3], [0.001839, 2.956, 3],
                [-0.005481, 1.9408, 3], [0.002028, 1.3618, 3]],
         '2s': [[0.049123, 20.8259, 1], [-0.45943901, 12.6392, 1], [0.04109, 18.1768, 2], [0.173786, 6.9872, 2],
                [0.827618, 5.1346, 2], [0.110068, 3.7317, 2], [0.001415, 39.5405, 3], [-0.006902, 2.9559, 3],
                [0.006505, 1.9407, 3], [0.003038, 1.3616, 3]],
         '3s': [[0.023562, 20.8264, 1], [-0.149158, 12.633, 1], [0.019848, 18.1768, 2], [0.068192, 6.9864, 2],
                [0.122791, 5.1342, 2], [0.271193, 3.7324, 2], [0.000133, 39.5397, 3], [-0.32465801, 2.9576, 3],
                [-0.58230901, 1.9417, 3], [-0.291556, 1.3637, 3]],
         '2p': [[0.001376, 20.2976, 2], [0.164067, 9.3164, 2], [0.49320301, 5.5171, 2], [0.39368501, 3.9504, 2],
                [-0.006241, 15.5639, 3], [-0.000611, 2.2826, 3], [0.002051, 1.4968, 3], [0.003802, 1.0527, 3]],
         '3p': [[0.00072, 20.2974, 2], [-0.049247, 9.3161, 2], [-0.08754, 5.5198, 2], [-0.13596401, 3.9519, 2],
                [0.004519, 15.5633, 3], [0.32620901, 2.2844, 3], [0.52188098, 1.4956, 3], [0.255577, 1.053, 3]],
         'Ne core':{'fa':[2.43072 ,5.67960 ,1.88891 ,0.00000],'fb':[3.70122 ,1.50616 ,0.09080 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.017
        '<j0> 3s':{'fa':[0.29053 ,0.92253 ,-0.39253 ,0.18070],'fb':[45.97676 ,21.51985 ,4.53606 ,2.14762],'fc':-0.00131,'Ne':2},           #Rw: 0.030
        '<j0> 3p':{'fa':[0.76870 ,-0.17850 ,0.35944 ,0.05019],'fb':[31.04925 ,6.16448 ,73.01578 ,1.36166],'fc':-0.00009,'Ne':3},           #Rw: 0.048
        '<j2> 3p':{'fa':[0.43387 ,-0.03549 ,-0.35150 ,-0.05244],'fb':[9.60211 ,128.36177 ,54.78845 ,2.87021],'fc':0.00552,'Ne':1},         #Rw: 0.341
        '<j1> 3s,3p':{'fa':[0.12027 ,0.40253 ,1.62393 ,-2.15061],'fb':[1752.60261 ,115.08685 ,8.54248 ,10.00502],'fc':-0.00630,'Ne':1}},   #Rw: 1.872
    'S':{'ZSlater':3.612,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[15.7918,4.9053,6.0303,1.9842,1.7172,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,4,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.38502601, 22.2994, 1], [0.44669801, 13.5725, 1], [0.200673, 19.4953, 2], [0.0032, 7.5145, 2], [0.008694, 5.7223, 2], 
                [-0.000435, 4.2264, 2], [-0.004745, 42.1813, 3], [0.000602, 3.3089, 3], [-0.002422, 2.1708, 3], [-0.000117, 1.5143, 3]], 
         '2s': [[0.05849, 22.2949, 1], [-0.48181, 13.5705, 1], [0.04962, 19.4966, 2], [0.12429, 7.5162, 2], [0.83920997, 5.7265, 2], 
                [0.14474, 4.226, 2], [0.00079, 42.1788, 3], [0.0018, 3.3089, 3], [0.00352, 2.1708, 3], [0.00088, 1.5141, 3]], 
         '3s': [[0.02636, 22.2949, 1], [-0.16230001, 13.5666, 1], [0.02167, 19.4969, 2], [0.0612, 7.5144, 2], [0.11117, 5.7224, 2], 
                [0.32532001, 4.2278, 2], [0.00012, 42.1787, 3], [-0.34187001, 3.3102, 3], [-0.60044003, 2.1731, 3], [-0.27131, 1.5136, 3]], 
         '2p': [[0.00021, 22.6414, 2], [0.14571001, 10.4198, 2], [0.49818999, 6.1152, 2], [0.40467, 4.4146, 2], [-0.00803, 17.3451, 3], 
                [0.00304, 2.6496, 3], [0.00046, 1.6975, 3], [0.00132, 1.1477, 3]], 
         '3p': [[0.00097, 22.6414, 2], [-0.04753, 10.4197, 2], [-0.09078, 6.116, 2], [-0.1585, 4.4159, 2], [0.00518, 17.3448, 3], 
                [0.34178001, 2.6506, 3], [0.51861, 1.6973, 3], [0.26256001, 1.1474, 3]],
         'Ne core':{'fa':[2.25142 ,5.82493 ,1.92308 ,0.00000],'fb':[3.13346 ,1.30411 ,0.08444 ,0.00000],'fc':0.00000,'Ne':1},              #Rw: 0.009
        '<j0> 3s':{'fa':[0.28910 ,0.93843 ,-0.42535 ,0.19950],'fb':[36.40843 ,17.05335 ,3.71740 ,1.78004],'fc':-0.00174,'Ne':2},           #Rw: 0.018
        '<j0> 3p':{'fa':[0.78079 ,-0.19489 ,0.35376 ,0.06012],'fb':[23.60737 ,4.74081 ,56.27456 ,1.15500],'fc':-0.00003,'Ne':4},           #Rw: 0.042
        '<j2> 3p':{'fa':[0.44652 ,-0.34219 ,-0.04904 ,-0.06203],'fb':[7.29518 ,40.38538 ,89.68068 ,2.26351],'fc':0.00673,'Ne':1},          #Rw: 0.248
        '<j1> 3s,3p':{'fa':[0.12160 ,0.40567 ,-2.36572 ,1.83473],'fb':[1297.59621 ,88.59864 ,7.74396 ,6.67364],'fc':-0.00798,'Ne':1}},     #Rw: 1.849
    'Cl':{'ZSlater':3.994,'NSlater':[4,4,4,6,8,10,12,14],'SZE':[16.8214,5.2778,6.5262,2.1835,1.9223,],
         'popCore':[[2,], [2,6,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [2,5,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.254906, 24.0464, 1], [0.716353, 14.4229, 1], [0.079344, 20.653, 2], [-0.136391, 9.4767, 2],
                [0.241669, 6.447, 2], [-0.181016, 4.7701, 2], [0.001773, 44.4212, 3], [0.075657, 3.5965, 3],
                [-0.048379, 2.4038, 3], [0.017564, 1.7128, 3]],
         '2s': [[0.06101, 23.7917, 1], [-0.48997, 14.4903, 1], [0.05014, 20.8324, 2], [0.02314, 9.4344, 2],
                [0.87580001, 6.4166, 2], [0.21031, 4.7668, 2], [0.00094, 44.4485, 3], [-0.00104, 3.5704, 3],
                [0.00581, 2.3743, 3], [0.00458, 1.661, 3]],
         '3s': [[0.03038, 23.7918, 1], [-0.17687, 14.487, 1], [0.02471, 20.8327, 2], [0.02115, 9.4341, 2],
                [0.15011001, 6.4164, 2], [0.33958, 4.77, 2], [6e-05, 44.4484, 3], [-0.35834, 3.574, 3],
                [-0.59885001, 2.3744, 3], [-0.25099999, 1.6643, 3]],
         '2p': [[-0.00064, 24.4396, 2], [0.13409001, 11.491, 2], [0.50809002, 6.6718, 2], [0.40522999, 4.855, 2],
                [-0.00973, 18.9811, 3], [0.00375, 2.9926, 3], [0.00063, 1.897, 3], [0.00121, 1.2586, 3]],
         '3p': [[0.00118, 24.4396, 2], [-0.0457, 11.4909, 2], [-0.09663, 6.6725, 2], [-0.17481001, 4.8563, 2],
                [0.00551, 18.9808, 3], [0.35528001, 2.9938, 3], [0.52271003, 1.8966, 3], [0.25698, 1.2587, 3]],
          'Ne core':{'fa':[2.02052 ,6.00416 ,1.97496 ,0.00000],'fb':[2.72686 ,1.15147 ,0.08080 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.006
        '<j0> 3s':{'fa':[1.13244 ,-2.21413 ,2.07800 ,0.00000],'fb':[17.98661 ,1.94802 ,1.81481 ,0.00000],'fc':0.00000,'Ne':2},             #Rw: 0.589
        '<j0> 3p':{'fa':[0.33651 ,-0.20872 ,0.79927 ,0.07251],'fb':[45.61323 ,3.67583 ,18.89159 ,1.02639],'fc':0.00021,'Ne':5},            #Rw: 0.039
        '<j2> 3p':{'fa':[0.45430 ,-0.34114 ,-0.05325 ,-0.06785],'fb':[5.77822 ,31.44511 ,70.81299 ,1.79338],'fc':0.00790,'Ne':1},          #Rw: 0.172
        '<j1> 3s,3p':{'fa':[0.12214 ,0.40823 ,-3.16237 ,2.62886],'fb':[1016.72145 ,70.86925 ,6.11711 ,5.47190],'fc':-0.00962,'Ne':1}},     #Rw: 1.801
    'K':{'ZSlater':1.839,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[18.8959,6.0296,7.5184,2.6111,2.3985,0.0000,0.9196,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.17936802, 16.9531, 1], [-0.134941, 23.731, 2], [0.002236, 6.772, 2], [-0.070201, 20.4662, 3],
                [-0.029141, 4.0089, 3], [-0.024908, 2.4125, 3], [0.014891, 8.4311, 4], [0.042287, 3.7938, 4],
                [0.009044, 1.4319, 4], [-0.008453, 0.9466, 4], [0.003888, 0.6646, 4]],
         '2s': [[-0.34784001, 16.9325, 1], [-0.01253, 23.6706, 2], [1.15868998, 6.7754, 2], [-0.02817, 20.5369, 3],
                [0.02961, 4.0061, 3], [0.00094, 2.4111, 3], [-0.09316, 8.4225, 4], [-0.00425, 3.7899, 4],
                [-0.00292, 1.4301, 4], [-0.00062, 0.945, 4], [-0.0003, 0.6607, 4]],
         '3s': [[-0.11908, 16.9318, 1], [-0.00725, 23.6708, 2], [0.46799999, 6.7737, 2], [-0.01454, 20.5359, 3],
                [-0.40634999, 4.008, 3], [-0.5643, 2.4145, 3], [0.03181, 8.4214, 4], [-0.18407001, 3.7924, 4],
                [-0.00706, 1.4301, 4], [0.002, 0.945, 4], [-0.00072, 0.6607, 4]],
         '4s': [[0.02179, 16.9317, 1], [0.00149, 23.6708, 2], [-0.08966, 6.772, 2], [0.00289, 20.5358, 3],
                [0.09535, 4.0061, 3], [0.10454, 2.4117, 3], [-0.00876, 8.4209, 4], [0.04572, 3.79, 4],
                [-0.17184, 1.4321, 4], [-0.51783001, 0.9468, 4], [-0.40160999, 0.6626, 4]],
         '2p': [[0.00298, 26.2044, 2], [0.36813, 11.1014, 2], [0.38022, 5.609, 2], [0.00611, 2.4374, 2],
                [0.30748001, 8.7156, 3], [0.00117, 1.9702, 3], [0.00072, 1.3184, 3]],
         '3p': [[0.00096, 26.2044, 2], [0.08189, 11.1006, 2], [0.39710999, 5.6108, 2], [-0.76919001, 2.4383, 2],
                [0.0204, 8.7159, 3], [-0.40380001, 1.9698, 3], [-0.03971, 1.3184, 3]],
          },
    'Ca':{'ZSlater':2.233,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[19.9409,6.4071,8.0162,2.8429,2.6631,0.0000,1.1163,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.19518697, 17.7, 1], [-0.141675, 24.7442, 2], [0.002428, 7.2537, 2], [-0.085376, 21.1264, 3], 
                [0.041982, 3.6316, 3], [-0.023081, 2.6302, 3], [0.008867, 8.8079, 4], [-0.028595, 6.0353, 4],
                [0.009198, 1.5903, 4], [-0.008943, 1.0691, 4], [0.00408, 0.7814, 4]], 
         '2s': [[-0.35642999, 17.6686, 1], [-0.01166, 24.5284, 2], [1.15061998, 7.2629, 2], [-0.02715, 21.3547, 3],
                [-0.00036, 3.6185, 3], [0.00717, 2.6126, 3], [-0.08228, 8.7839, 4], [0.02766, 6.0116, 4], 
                [0.00585, 1.577, 4], [0.00221, 1.0566, 4], [0.00065, 0.7584, 4]], 
         '3s': [[-0.12801, 17.6671, 1], [-0.00739, 24.5295, 2], [0.48541999, 7.2537, 2], [-0.01479, 21.3494, 3], 
                [-0.63814998, 3.6234, 3], [-0.43235999, 2.6174, 3], [0.0347, 8.781, 4], [-0.06742, 6.0113, 4],
                [-0.00937, 1.5768, 4], [-0.01093, 1.0565, 4], [-0.00724, 0.7584, 4]],
         '4s': [[0.03384, 17.667, 1], [0.00203, 24.5295, 2], [-0.13018, 7.2526, 2], [0.00403, 21.3493, 3], 
                [0.19644, 3.6165, 3], [0.12079, 2.6152, 3], [-0.01257, 8.7808, 4], [0.0234, 6.011, 4], 
                [-0.33388999, 1.5823, 4], [-0.52197999, 1.0583, 4], [-0.25573999, 0.7602, 4]], 
         '2p': [[0.00326, 28.8924, 2], [0.35084999, 11.9109, 2], [0.40454999, 6.0967, 2], [0.01155, 2.5605, 2], 
                [0.29488999, 9.4445, 3], [-0.00077, 2.1783, 3], [0.00064, 1.3295, 3]], 
         '3p': [[-0.00098, 28.8923, 2], [-0.08128, 11.912, 2], [-0.43213001, 6.0981, 2], [0.87671, 2.5618, 2],
                [-0.01941, 9.4438, 3], [0.31156, 2.1776, 3], [0.02016, 1.3296, 3]],
          },
    'Sc':{'ZSlater':3.228,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[20.9923,6.7873,8.5177,3.0500,2.8851,2.4230,1.2092,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,1,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.95034498, 21.7439, 1], [-0.008683, 18.5935, 2], [0.026966, 8.5329, 2], [0.061286, 26.6654, 3],
                [0.016874, 6.3635, 3], [-0.012884, 4.4092, 3], [0.004266, 2.9847, 3], [-0.017881, 10.0578, 4],
                [-0.003566, 1.7343, 4], [0.004541, 1.1552, 4], [-0.002268, 0.8093, 4]],
         '2s': [[-0.28558001, 21.7245, 1], [-0.14284, 18.5962, 2], [1.00378001, 8.5347, 2], [-0.00892, 26.6637, 3],
                [0.08139, 6.3628, 3], [-0.00178, 4.4087, 3], [0.01333, 2.9836, 3], [0.06112, 10.0559, 4],
                [0.00298, 1.7339, 4], [0.00117, 1.1548, 4], [0.00018, 0.8074, 4]],
         '3s': [[-0.10432, 21.7237, 1], [-0.0606, 18.5963, 2], [0.42749, 8.5332, 2], [-0.00378, 26.6637, 3],
                [0.1031, 6.363, 3], [-0.56377, 4.4138, 3], [-0.62858999, 2.9894, 3], [0.08111, 10.0582, 4],
                [-0.01316, 1.7335, 4], [-0.01126, 1.1547, 4], [-0.00947, 0.8074, 4]],
         '4s': [[0.02777, 21.7237, 1], [0.01636, 18.5965, 2], [-0.11537, 8.5331, 2], [0.001, 26.6635, 3],
                [-0.03133, 6.3631, 3], [0.17967001, 4.4061, 3], [0.18049, 2.9864, 3], [-0.02432, 10.0558, 4],
                [-0.30811, 1.7403, 4], [-0.52433002, 1.1567, 4], [-0.28417, 0.8108, 4]],
         '2p': [[0.00328, 31.2143, 2], [0.3427, 12.6343, 2], [0.42750999, 6.5444, 2], [0.00649, 2.7946, 2],
                [0.27948999, 10.1172, 3], [-0.0001, 2.3662, 3], [0.01096, 1.454, 3]],
         '3p': [[-0.00097, 31.2091, 2], [-0.0799, 12.6891, 2], [-0.45473999, 6.5487, 2], [0.88863999, 2.7954, 2],
                [-0.01957, 10.0779, 3], [0.31038001, 2.367, 3], [0.02106, 1.4539, 3]],
         '3d': [[0.01532, 9.8555, 3], [0.15785, 4.8478, 3], [0.35648999, 2.9219, 3], [0.43551999, 1.7366, 3],
                [0.20553, 1.0538, 3]],
          'Ca core':{'fa':[2.45935 ,8.79533 ,7.54402 ,0.05080],'fb':[106.26830 ,9.08492 ,0.56866 ,-0.28527],'fc':1.13537,'Ne':1},          #Rw: 0.082
        '<j0> 3d':{'fa':[0.51152 ,0.35909 ,-0.02576 ,0.15513],'fb':[25.52486 ,9.81972 ,1.38703 ,65.26506],'fc':-0.00008,'Ne':1},           #Rw: 0.019
        '<j2> 3d':{'fa':[0.19852 ,-0.20593 ,0.08130 ,-0.07408],'fb':[4.76490 ,30.51707 ,1.77828 ,73.78079],'fc':0.00023,'Ne':1},           #Rw: 0.047
        '<j4> 3d':{'fa':[0.02076 ,-0.15191 ,0.11695 ,0.02091],'fb':[88.93985 ,13.21564 ,1.51597 ,0.18920],'fc':-0.00669,'Ne':1}},          #Rw: 0.194
    'Ti':{'ZSlater':4.034,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[22.0496,7.1688,9.0202,3.2536,3.0978,2.7474,1.2862,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,2,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.95518899, 22.7527, 1], [-0.019842, 19.4571, 2], [0.029704, 8.9857, 2], [0.065529, 27.9379, 3], [0.018407, 6.6285, 3], 
                [-0.014859, 4.6768, 3], [0.005129, 3.1633, 3], [-0.019766, 10.678, 4], [-0.003792, 1.855, 4], [0.004438, 1.2217, 4],
                [-0.002154, 0.841, 4]], 
         '2s': [[-0.28946, 22.7276, 1], [-0.14304, 19.4661, 2], [1.01271999, 8.9917, 2], [-0.00967, 27.9382, 3], [0.07743, 6.6277, 3],
                [-0.00425, 4.6765, 3], [0.01518, 3.162, 3], [0.05917, 10.6743, 4], [0.00275, 1.8546, 4], [0.00063, 1.221, 4], [-0.0001, 0.8395, 4]], 
         '3s': [[-0.10744, 22.7316, 1], [-0.06247, 19.4594, 2], [0.44158, 8.9864, 2], [-0.00403, 27.9365, 3], [0.09871, 6.628, 3], 
                [-0.58841002, 4.6823, 3], [-0.61128998, 3.1675, 3], [0.08517, 10.6779, 4], [-0.01131, 1.8543, 4], 
                [-0.01072, 1.2209, 4], [-0.0095, 0.8395, 4]],
         '4s': [[0.02788, 22.7314, 1], [0.0164, 19.4597, 2], [-0.11615, 8.9861, 2], [0.00111, 27.9364, 3], [-0.03135, 6.6281, 3], 
                [0.18536, 4.6737, 3], [0.16818, 3.1658, 3], [-0.02422, 10.6755, 4], [-0.29752001, 1.8615, 4], [-0.52960002, 1.2237, 4], 
                [-0.29255, 0.8429, 4]], 
         '2p': [[0.00331, 33.3948, 2], [0.33837, 13.3585, 2], [0.43380001, 6.9835, 2], [0.00715, 3.0697, 2], [0.27535, 10.7611, 3], 
                [-0.00065, 2.5804, 3], [0.0123, 1.6117, 3]], '3p': [[0.00102, 33.3883, 2], [0.07885, 13.4242, 2], [0.47220999, 6.9883, 2], 
                [-0.86669999, 3.0712, 2], [0.01983, 10.7126, 3], [-0.34277999, 2.5799, 3], [-0.02422, 1.6117, 3]], 
         '3d': [[0.01622, 10.476, 3], [0.17105, 5.2357, 3], [0.37316999, 3.1862, 3], [0.42438999, 1.9271, 3], [0.17606001, 1.1916, 3]],
          'Ca core':{'fa':[1.35843 ,1.22596 ,8.73868 ,7.39226],'fb':[132.76497 ,59.64265 ,7.75733 ,0.50765],'fc':1.28327,'Ne':1},          #Rw: 0.035
        '<j0> 3d':{'fa':[0.41273 ,0.60289 ,-0.01689 ,0.00000],'fb':[34.46134 ,10.33460 ,0.79051 ,0.00000],'fc':0.00000,'Ne':2},            #Rw: 0.200
        '<j2> 3d':{'fa':[0.20026 ,-0.20806 ,0.08250 ,-0.07492],'fb':[3.75108 ,23.54754 ,1.45725 ,58.26529],'fc':0.00022,'Ne':1},           #Rw: 0.042
        '<j4> 3d':{'fa':[0.02007 ,-0.15336 ,0.12160 ,0.07181],'fb':[71.03861 ,10.15785 ,1.19155 ,0.02665],'fc':-0.06010,'Ne':1}},          #Rw: 0.209
    'Ti+3':{'ZSlater':4.034,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[22.0496,7.1688,9.0202,3.2536,3.0978,2.7474,1.2862,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,2,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[0.51072 ,8.84924 ,7.34114 ,0.03628],'fb':[20.38024 ,7.65941 ,0.50147 ,0.50297],'fc':1.26386,'Ne':1},          #Rw: 0.040
        '<j0> 3d':{'fa':[0.42906 ,0.60388 ,-0.03327 ,0.00000],'fb':[20.87218 ,8.33300 ,1.04768 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.057
        '<j2> 3d':{'fa':[0.27533 ,-0.31389 ,0.03915 ,0.00000],'fb':[2.72653 ,19.90943 ,0.99383 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.388
        '<j4> 3d':{'fa':[0.05073 ,-0.20761 ,0.15149 ,0.00000],'fb':[28.43729 ,7.75608 ,1.01113 ,0.00000],'fc':0.00534,'Ne':1}},            #Rw: 0.335
    'V':{'ZSlater':4.730,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[23.1135,7.5519,9.5235,3.4524,3.3058,3.0377,1.3558,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,3,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.96315098, 23.7433, 1], [-0.027945, 20.2895, 2], [-0.017305, 9.4805, 2], [0.08461, 29.1545, 3], [0.055029, 6.9473, 3], 
                [-0.044495, 4.9135, 3], [0.018183, 3.3275, 3], [-0.024348, 11.2894, 4], [-0.007297, 1.9557, 4], [0.006736, 1.2739, 4], 
                [-0.003038, 0.8713, 4]],
         '2s': [[-0.29313001, 23.7192, 1], [-0.14402001, 20.3028, 2], [1.01490998, 9.4886, 2], [-0.01032, 29.1533, 3], [0.07628, 6.9461, 3], 
                [-0.00438, 4.9128, 3], [0.01752, 3.3256, 3], [0.06139, 11.2822, 4], [0.00175, 1.9549, 4], [-0.0002, 1.2721, 4], [-0.00043, 0.8656, 4]],
         '3s': [[-0.1109, 23.7267, 1], [-0.06481, 20.2913, 2], [0.45387, 9.4805, 2], [-0.0043, 29.15, 3], [0.08672, 6.9464, 3], 
                [-0.60966998, 4.9187, 3], [-0.58894998, 3.3311, 3], [0.09147, 11.2871, 4], [-0.00878, 1.9547, 4], [-0.0097, 1.272, 4], 
                [-0.00861, 0.8656, 4]],
         '4s': [[0.02768, 23.7265, 1], [0.01632, 20.2915, 2], [-0.11485, 9.4802, 2], [0.00121, 29.1499, 3], [-0.02907, 6.9464, 3], 
                [0.18904001, 4.9097, 3], [0.15244, 3.3303, 3], [-0.02447, 11.2845, 4], [-0.29719001, 1.9633, 4], [-0.53342998, 1.2755, 4], 
                [-0.29117, 0.869, 4]],
         '2p': [[0.00327, 35.8157, 2], [0.3321, 14.1153, 2], [0.44187, 7.4343, 2], [0.00882, 3.2973, 2], [0.27122, 11.4237, 3], 
                [-0.00136, 2.7501, 3], [0.0122, 1.7235, 3]],
         '3p': [[0.00106, 35.8087, 2], [0.07732, 14.1824, 2], [0.48385, 7.4387, 2], [-0.86928999, 3.2973, 2], [0.02055, 11.3724, 3], 
                [-0.34542999, 2.7535, 3], [-0.02606, 1.723, 3]],
         '3d': [[0.01767, 10.9645, 3], [0.19656, 5.5047, 3], [0.40217, 3.3128, 3], [0.39969999, 2.0071, 3], [0.14267001, 1.2616, 3]],
         'Ca core':{'fa':[2.39935 ,8.86683 ,7.32052 ,-0.07396],'fb':[89.41608 ,7.01429 ,0.46667 ,-0.14199],'fc':1.47040,'Ne':1},           #Rw: 0.087
        '<j0> 3d':{'fa':[0.39989 ,0.61694 ,-0.01802 ,0.00000],'fb':[28.98845 ,8.62988 ,0.67701 ,0.00000],'fc':0.00000,'Ne':3},             #Rw: 0.194
        '<j2> 3d':{'fa':[0.19877 ,-0.20649 ,0.08529 ,-0.07775],'fb':[3.09840 ,19.03090 ,1.24317 ,47.75912],'fc':0.00025,'Ne':1},           #Rw: 0.046
        '<j4> 3d':{'fa':[0.02002 ,-0.15223 ,0.12719 ,0.00000],'fb':[58.21967 ,8.39173 ,0.91458 ,0.00000],'fc':0.00502,'Ne':1}},            #Rw: 0.264
    'V+2':{'ZSlater':4.730,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[23.1135,7.5519,9.5235,3.4524,3.3058,3.0377,1.3558,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,3,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
           'Ar core':{'fa':[0.89192 ,8.45151 ,0.00000 ,7.41699],'fb':[16.54553 ,6.80163 ,0.00000 ,0.45033],'fc':1.24040,'Ne':1},           #Rw: 0.030
        '<j0> 3d':{'fa':[0.43364 ,0.58796 ,-0.02230 ,0.00000],'fb':[24.23318 ,8.08025 ,0.77104 ,0.00000],'fc':0.00000,'Ne':3},             #Rw: 0.122
        '<j2> 3d':{'fa':[0.20443 ,-0.21449 ,0.09510 ,-0.08536],'fb':[3.16448 ,17.65824 ,1.27345 ,37.09749],'fc':0.00035,'Ne':1},           #Rw: 0.035
        '<j4> 3d':{'fa':[0.03032 ,-0.16864 ,0.13302 ,0.00000],'fb':[41.52763 ,8.16513 ,0.91258 ,0.00000],'fc':0.00529,'Ne':1}},            #Rw: 0.246
    'V+3':{'ZSlater':4.730,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[23.1135,7.5519,9.5235,3.4524,3.3058,3.0377,1.3558,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,3,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
           'Ar core':{'fa':[0.55851 ,8.82793 ,0.00000 ,7.40178],'fb':[17.70386 ,6.73731 ,0.00000 ,0.44328],'fc':1.21271,'Ne':1},           #Rw: 0.037
        '<j0> 3d':{'fa':[0.42595 ,0.60640 ,-0.03271 ,0.00000],'fb':[18.48530 ,7.13795 ,0.88356 ,0.00000],'fc':0.00000,'Ne':2},             #Rw: 0.064
        '<j2> 3d':{'fa':[0.23472 ,-0.24697 ,0.10010 ,-0.08808],'fb':[2.90274 ,13.69761 ,1.20107 ,26.36991],'fc':0.00023,'Ne':1},           #Rw: 0.025
        '<j4> 3d':{'fa':[0.04419 ,-0.19991 ,0.14982 ,0.00000],'fb':[26.59181 ,6.57160 ,0.87243 ,0.00000],'fc':0.00587,'Ne':1}},            #Rw: 0.223
    'Cr':{'ZSlater':5.632,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[24.1844,7.9369,10.0291,3.6368,3.4908,3.1092,1.3501,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.96753299, 24.7482, 1], [-0.042229, 21.1347, 2], [0.007756, 9.9967, 2], [0.083244, 30.427, 3], [0.056263, 7.3637, 3],
                [-0.040254, 5.1841, 3], [0.015363, 3.4409, 3], [-0.039941, 11.9585, 4], [-0.005363, 2.1136, 4], [0.004203, 1.3255, 4],
                [-0.001909, 0.8731, 4]], 
         '2s': [[0.29922, 24.59, 1], [0.13617, 21.3308, 2], [-0.99230999, 10.1049, 2], [0.01452, 30.485, 3], [-0.07987, 7.363, 3], 
                [0.02639, 5.1832, 3], [-0.04366, 3.439, 3], [-0.0911, 11.9118, 4], [0.02306, 2.113, 4], [0.00819, 1.3244, 4],
                [-0.00111, 0.8703, 4]], 
         '3s': [[-0.11206, 24.7293, 1], [-0.06579, 21.1384, 2], [0.45482001, 9.9975, 2], [-0.00444, 30.4213, 3], [0.08933, 7.3631, 3],
                [-0.63301003, 5.1878, 3], [-0.57508999, 3.4446, 3], [0.09247, 11.9567, 4], [-0.0043, 2.1124, 4], [-0.00193, 1.3241, 4], 
                [-0.00373, 0.8703, 4]],
         '4s': [[-0.02271, 24.7292, 1], [-0.01382, 21.1386, 2], [0.09567, 9.9971, 2], [-0.00094, 30.4212, 3], [0.03006, 7.363, 3], 
                [-0.17767, 5.1825, 3], [-0.12294, 3.4414, 3], [0.02049, 11.9538, 4], [0.23587, 2.1153, 4], [0.53798002, 1.3323, 4], 
                [0.35141, 0.8793, 4]], 
         '2p': [[0.0034, 37.428, 2], [0.33711001, 14.7905, 2], [0.42319, 7.8393, 2], [0.01442, 3.6201, 2], [0.28163999, 11.9899, 3],
                [-0.00512, 2.9492, 3], [0.01114, 1.9545, 3]], 
         '3p': [[0.00115, 37.4231, 2], [0.07773, 14.8399, 2], [0.48976001, 7.8421, 2], [-0.82529998, 3.6169, 2], [0.02288, 11.9478, 3],
                [-0.38374999, 2.9574, 3], [-0.05018, 1.9524, 3]], 
         '3d': [[0.01704, 11.4817, 3], [0.19578999, 5.8142, 3], [0.40029001, 3.4544, 3], [0.39452001, 1.973, 3], [0.18735, 1.1431, 3]],
          'K core':{'fa':[1.01413 ,0.72512 ,7.44630 ,8.60496],'fb':[118.63004 ,20.96598 ,0.40378 ,6.12395],'fc':1.20679,'Ne':1},           #Rw: 0.025
        '<j0> 3d':{'fa':[0.40184 ,0.60727 ,-0.01134 ,0.00000],'fb':[33.60621 ,8.25323 ,0.42386 ,0.00000],'fc':0.00000,'Ne':5},             #Rw: 0.335
        '<j2> 3d':{'fa':[0.22280 ,-0.17614 ,0.02855 ,-0.07066],'fb':[2.26998 ,21.79534 ,0.43307 ,62.72573],'fc':-0.00446,'Ne':1},          #Rw: 0.199
        '<j4> 3d':{'fa':[0.01650 ,-0.10113 ,0.11525 ,-0.03589],'fb':[73.81915 ,7.27337 ,0.82702 ,17.10239],'fc':0.00523,'Ne':1}},          #Rw: 0.185
    'Cr+2':{'ZSlater':5.632,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[24.1844,7.9369,10.0291,3.6368,3.4908,3.1092,1.3501,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.00854 ,6.96540 ,7.44282 ,1.40530],'fb':[14.16747 ,5.98217 ,0.39882 ,5.97643],'fc':1.17873,'Ne':1},          #Rw: 0.026
        '<j0> 3d':{'fa':[0.42540 ,0.59665 ,-0.02279 ,0.00000],'fb':[21.30733 ,6.93503 ,0.66249 ,0.00000],'fc':0.00000,'Ne':4},             #Rw: 0.129
        '<j2> 3d':{'fa':[0.24914 ,-0.27085 ,0.02278 ,0.00000],'fb':[1.98204 ,20.62100 ,0.61997 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.713
        '<j4> 3d':{'fa':[0.02733 ,-0.16541 ,0.13253 ,0.00000],'fb':[38.15173 ,6.88374 ,0.78384 ,0.00000],'fc':0.00557,'Ne':1}},            #Rw: 0.183
    'Cr+3':{'ZSlater':5.632,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[24.1844,7.9369,10.0291,3.6368,3.4908,3.1092,1.3501,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[0.75928 ,7.16493 ,7.43312 ,1.49805],'fb':[14.23001 ,5.91416 ,0.39221 ,5.91445],'fc':1.14558,'Ne':1},          #Rw: 0.026
        '<j0> 3d':{'fa':[0.42506 ,0.60713 ,-0.03261 ,0.00000],'fb':[16.50850 ,6.18105 ,0.76102 ,0.00000],'fc':0.00000,'Ne':3},             #Rw: 0.070
        '<j2> 3d':{'fa':[0.27289 ,-0.29952 ,0.02732 ,0.00000],'fb':[1.90452 ,15.77484 ,0.64252 ,0.00000],'fc':0.00000,'Ne':1},             #Rw: 0.482
        '<j4> 3d':{'fa':[0.03979 ,-0.19399 ,0.14799 ,0.00000],'fb':[24.84471 ,5.68654 ,0.75863 ,0.00000],'fc':0.00621,'Ne':1}},            #Rw: 0.122
    'Mn':{'ZSlater':5.949,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[25.2616,8.3216,10.5320,3.8440,3.7128,3.5711,1.4831,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.97280103, 25.7218, 1], [-0.062024, 21.8538, 2], [0.045828, 10.7523, 2], [0.079513, 31.6143, 3], [0.033882, 7.9537, 3], 
                [-0.019707, 5.4802, 3], [0.010584, 3.6821, 3], [-0.048232, 12.6299, 4], [-0.005387, 2.1708, 4], [0.005113, 1.3891, 4], 
                [-0.002376, 0.9216, 4]],
         '2s': [[-0.30068001, 25.6968, 1], [-0.15147001, 21.8617, 2], [0.98559999, 10.7574, 2], [-0.012, 31.6116, 3], [0.09349, 7.9532, 3], 
                [-0.00417, 5.4792, 3], [0.01691, 3.6808, 3], [0.09222, 12.6256, 4], [0.00305, 2.1701, 4], [0.00046, 1.3884, 4], [-0.00015, 0.9204, 4]],
         '3s': [[0.11457, 25.6998, 1], [0.07602, 21.8569, 2], [-0.45254001, 10.7527, 2], [0.00166, 31.6095, 3], [-0.10186, 7.9541, 3], 
                [0.62573999, 5.4845, 3], [0.58192998, 3.69, 3], [-0.10071, 12.6284, 4], [0.00722, 2.1701, 4], [0.00314, 1.3884, 4], 
                [0.00296, 0.9204, 4]],
         '4s': [[0.02585, 25.6998, 1], [0.01633, 21.8567, 2], [-0.1022, 10.7524, 2], [0.00027, 31.6095, 3], [-0.02845, 7.9534, 3], 
                [0.17914, 5.4786, 3], [0.13383, 3.6836, 3], [-0.02811, 12.6273, 4], [-0.28174999, 2.1754, 4], [-0.53320998, 1.3931, 4], 
                [-0.31099001, 0.9265, 4]],
         '2p': [[0.00355, 39.7731, 2], [0.33284, 15.4987, 2], [0.43577, 8.2704, 2], [0.01281, 3.9147, 2], [0.27250001, 12.6539, 3], 
                [-0.00666, 3.2245, 3], [0.01684, 2.106, 3]],
         '3p': [[0.00123, 39.7637, 2], [0.07818, 15.5773, 2], [0.50133002, 8.2742, 2], [-0.80340999, 3.91, 2], [0.02583, 12.5894, 3], 
                [-0.41608, 3.2363, 3], [-0.04652, 2.1033, 3]],
         '3d': [[0.01835, 12.1111, 3], [0.21244, 6.2275, 3], [0.41553, 3.7654, 3], [0.38543001, 2.2764, 3], [0.12575001, 1.4253, 3]],
          'Ca core':{'fa':[1.61413 ,8.83112 ,7.46480 ,0.95702],'fb':[100.51727 ,5.41189 ,0.35652 ,38.20331],'fc':1.13046,'Ne':1},          #Rw: 0.023
        '<j0> 3d':{'fa':[0.38696 ,0.63127 ,-0.01944 ,0.00000],'fb':[21.81018 ,6.36048 ,0.50771 ,0.00000],'fc':0.00000,'Ne':5},             #Rw: 0.192
        '<j2> 3d':{'fa':[0.20591 ,-0.07602 ,0.07633 ,-0.20614],'fb':[2.16518 ,36.08445 ,0.87748 ,13.91487],'fc':-0.00003,'Ne':1},          #Rw: 0.055
        '<j4> 3d':{'fa':[0.01812 ,-0.15158 ,0.12811 ,0.00000],'fb':[45.58913 ,5.96872 ,0.67658 ,0.00000],'fc':0.00537,'Ne':1}},            #Rw: 0.228
    'Mn+2':{'ZSlater':5.949,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[25.2616,8.3216,10.5320,3.8440,3.7128,3.5711,1.4831,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.16182 ,6.89288 ,7.47904 ,1.36627],'fb':[12.17385 ,5.28184 ,0.35349 ,5.28205],'fc':1.10040,'Ne':1},          #Rw: 0.021
        '<j0> 3d':{'fa':[0.41893 ,0.60332 ,-0.02304 ,0.00000],'fb':[18.95348 ,6.03459 ,0.56959 ,0.00000],'fc':0.00000,'Ne':5},             #Rw: 0.134
        '<j2> 3d':{'fa':[0.19793 ,-0.08970 ,0.09634 ,-0.20486],'fb':[2.30031 ,28.81541 ,0.96138 ,12.99056],'fc':0.00033,'Ne':1},           #Rw: 0.030
        '<j4> 3d':{'fa':[0.02488 ,-0.16239 ,0.13195 ,0.00000],'fb':[35.47753 ,5.91009 ,0.67792 ,0.00000],'fc':0.00559,'Ne':1}},            #Rw: 0.208
    'Mn+3':{'ZSlater':5.949,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[25.2616,8.3216,10.5320,3.8440,3.7128,3.5711,1.4831,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[-1.72987 ,8.76758 ,7.47214 ,2.40816],'fb':[19.04011 ,5.30848 ,0.34981 ,17.45871],'fc':1.08166,'Ne':1},        #Rw: 0.019
        '<j0> 3d':{'fa':[0.41997 ,0.61149 ,-0.03191 ,0.00000],'fb':[14.93225 ,5.44321 ,0.65407 ,0.00000],'fc':0.00000,'Ne':4},             #Rw: 0.074
        '<j2> 3d':{'fa':[0.21947 ,-0.08769 ,0.10474 ,-0.23683],'fb':[2.19611 ,21.76528 ,0.93787 ,10.71281],'fc':0.00033,'Ne':1},           #Rw: 0.027
        '<j4> 3d':{'fa':[0.03612 ,-0.18900 ,0.14649 ,0.00000],'fb':[23.32826 ,4.97350 ,0.66572 ,0.00000],'fc':0.00640,'Ne':1}},            #Rw: 0.117
    'Mn+4':{'ZSlater':5.949,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[25.2616,8.3216,10.5320,3.8440,3.7128,3.5711,1.4831,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,5,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[-0.94535 ,9.01484 ,7.46855 ,1.43207],'fb':[20.34339 ,5.20701 ,0.34171 ,18.02925],'fc':1.02965,'Ne':1},        #Rw: 0.021
        '<j0> 3d':{'fa':[0.41258 ,0.62778 ,-0.04060 ,0.00000],'fb':[12.37238 ,4.99320 ,0.69918 ,0.00000],'fc':0.00000,'Ne':3},             #Rw: 0.044
        '<j2> 3d':{'fa':[0.23874 ,-0.09331 ,0.11446 ,-0.26025],'fb':[2.10170 ,17.07094 ,0.92018 ,8.90205],'fc':0.00035,'Ne':1},            #Rw: 0.022
        '<j4> 3d':{'fa':[0.04714 ,-0.21352 ,0.15954 ,0.00000],'fb':[17.25719 ,4.30610 ,0.64357 ,0.00000],'fc':0.00682,'Ne':1}},            #Rw: 0.073
    'Fe':{'ZSlater':6.509,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[26.3464,8.7083,11.0372,4.0379,3.9136,3.8248,1.5430,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,6,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.97986698, 26.7335, 1], [-0.10124, 22.7356, 2], [0.07752, 11.1575, 2], [0.09669, 32.8697, 3], [0.03498, 8.2271, 3], 
                [-0.0198, 5.702, 3], [0.00994, 3.8406, 3], [-0.06242, 13.2064, 4], [-0.00474, 2.2686, 4], [0.00436, 1.4386, 4],
                [-0.00199, 0.9475, 4]], 
         '2s': [[-0.304003, 26.6902, 1], [-0.148443, 22.7668, 2], [0.99863398, 11.1752, 2], [-0.013148, 32.8699, 3], [0.090178, 8.2266, 3],
                [-0.011523, 5.7012, 3], [0.021227, 3.8391, 3], [0.084607, 13.1951, 4], [0.000314, 2.2676, 4], [-0.002177, 1.4378, 4], 
                [-0.001122, 0.9462, 4]],
         '3s': [[0.117289, 26.7105, 1], [0.070408, 22.7391, 2], [-0.46195999, 11.1581, 2], [0.005098, 32.8594, 3], [-0.07711, 8.2268, 3],
                [0.63688201, 5.7061, 3], [0.56583601, 3.8468, 3], [-0.107495, 13.2075, 4], [-0.000343, 2.2676, 4], [0.002728, 1.4378, 4], 
                [0.003742, 0.9462, 4]], 
         '4s': [[0.025695, 26.7103, 1], [0.01527, 22.7394, 2], [-0.101936, 11.1579, 2], [0.001471, 32.8592, 3], [-0.028579, 8.2265, 3], 
                [0.180214, 5.7, 3], [0.119361, 3.8432, 3], [-0.022991, 13.2036, 4], [-0.285227, 2.2755, 4], [-0.536533, 1.4431, 4], 
                [-0.30648401, 0.952, 4]], 
         '2p': [[0.003817, 42.329, 2], [0.32225901, 16.1407, 2], [0.49480399, 8.7195, 2], [-0.020901, 4.0983, 2], [0.234972, 13.3868, 3], 
                [0.036566, 3.3693, 3], [-0.013667, 2.1929, 3]], 
         '3p': [[0.001274, 42.2925, 2], [0.076649, 16.3337, 2], [0.50792801, 8.7223, 2], [-0.82426101, 4.0963, 2], [0.02631, 13.2521, 3],
                [-0.401458, 3.3764, 3], [-0.041994, 2.1904, 3]], 
         '3d': [[0.01803, 12.747, 3], [0.214103, 6.6254, 3], [0.412689, 4.0192, 3], [0.38428101, 2.4051, 3], [0.134867, 1.4745, 3]],
          'Ca core':{'fa':[1.65317 ,8.85265 ,7.49168 ,0.91492],'fb':[93.72732 ,4.87560 ,0.32105 ,33.82382],'fc':1.08487,'Ne':1},           #Rw: 0.023
        '<j0> 3d':{'fa':[0.38322 ,0.63539 ,-0.01983 ,0.00000],'fb':[19.32105 ,5.56964 ,0.43818 ,0.00000],'fc':0.00000,'Ne':6},             #Rw: 0.191
        '<j2> 3d':{'fa':[0.20315 ,-0.07628 ,0.07872 ,-0.20553],'fb':[1.89653 ,31.96897 ,0.78168 ,12.11466],'fc':-0.00001,'Ne':1},          #Rw: 0.052
        '<j4> 3d':{'fa':[0.01753 ,-0.15083 ,0.12819 ,0.00000],'fb':[40.63038 ,5.19593 ,0.58820 ,0.00000],'fc':0.00513,'Ne':1}},            #Rw: 0.261
    'Fe+2':{'ZSlater':6.509,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[26.3464,8.7083,11.0372,4.0379,3.9136,3.8248,1.5430,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,6,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.29240 ,6.83229 ,7.51853 ,1.31917],'fb':[10.54686 ,4.72679 ,0.31694 ,4.70185],'fc':1.03759,'Ne':1},          #Rw: 0.024
        '<j0> 3d':{'fa':[0.41207 ,0.61010 ,-0.02301 ,0.00000],'fb':[17.04963 ,5.32110 ,0.49103 ,0.00000],'fc':0.00000,'Ne':6},             #Rw: 0.135
        '<j2> 3d':{'fa':[0.19748 ,-0.08594 ,0.09396 ,-0.20580],'fb':[1.98421 ,26.44917 ,0.84020 ,11.53016],'fc':0.00033,'Ne':1},           #Rw: 0.032
        '<j4> 3d':{'fa':[0.02315 ,-0.16014 ,0.13144 ,0.00000],'fb':[32.80304 ,5.15446 ,0.59369 ,0.00000],'fc':0.00559,'Ne':1}},            #Rw: 0.219
    'Fe+3':{'ZSlater':6.509,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[26.3464,8.7083,11.0372,4.0379,3.9136,3.8248,1.5430,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,6,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[-2.93845 ,8.66009 ,7.51845 ,3.75535],'fb':[15.42042 ,4.73883 ,0.31234 ,14.58249],'fc':1.00443,'Ne':1},        #Rw: 0.014
        '<j0> 3d':{'fa':[0.41415 ,0.61649 ,-0.03112 ,0.00000],'fb':[13.61852 ,4.84385 ,0.56443 ,0.00000],'fc':0.00000,'Ne':5},             #Rw: 0.079
        '<j2> 3d':{'fa':[0.21878 ,-0.08740 ,0.10017 ,-0.23182],'fb':[1.90191 ,19.97230 ,0.81779 ,9.62028],'fc':0.00027,'Ne':1},            #Rw: 0.025
        '<j4> 3d':{'fa':[0.03336 ,-0.18470 ,0.14488 ,0.00000],'fb':[21.90387 ,4.40841 ,0.58721 ,0.00000],'fc':0.00646,'Ne':1}},            #Rw: 0.110
    'Co':{'ZSlater':7.047,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[27.4389,9.0963,11.5433,4.2311,4.1131,4.0730,1.6010,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,7,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.98454797, 27.7485, 1], [-0.119816, 23.6438, 2], [0.087371, 11.4482, 2], [0.105973, 34.038, 3], [0.018059, 8.324, 3], 
                [-0.010464, 5.8675, 3], [0.005955, 3.9722, 3], [-0.051818, 13.7162, 4], [-0.003011, 2.3516, 4], [0.002778, 1.4794, 4], 
                [-0.001208, 0.9689, 4]],
         '2s': [[-0.30693999, 27.7082, 1], [-0.14523999, 23.6586, 2], [1.02988005, 11.4593, 2], [-0.01329, 34.0467, 3], [0.07003, 8.3231, 3], 
                [-0.00032, 5.867, 3], [0.00997, 3.9714, 3], [0.06368, 13.7119, 4], [0.00633, 2.3512, 4], [0.00552, 1.479, 4], [-0.00103, 0.9682, 4]],
         '3s': [[0.11927, 27.7203, 1], [0.06976, 23.6466, 2], [-0.48280001, 11.4497, 2], [0.00555, 34.0342, 3], [-0.04334, 8.3237, 3], 
                [0.65819001, 5.8725, 3], [0.53219998, 3.9781, 3], [-0.10615, 13.7188, 4], [-0.00389, 2.3511, 4], [0.00032, 1.4789, 4], 
                [0.00236, 0.9682, 4]],
         '4s': [[0.025, 27.72, 1], [0.01445, 23.647, 2], [-0.10209, 11.4491, 2], [0.00156, 34.034, 3], [-0.02105, 8.3235, 3], [0.18208, 5.8662, 3], 
                [0.10185, 3.9746, 3], [-0.02184, 13.7147, 4], [-0.29163, 2.3591, 4], [-0.53622001, 1.4846, 4], [-0.30162999, 0.9748, 4]],
         '2p': [[-0.00382, 44.2683, 2], [-0.32894999, 16.9275, 2], [-0.44216999, 9.1295, 2], [-0.01403, 4.3896, 2], [-0.26774999, 13.9379, 3], 
                [0.01061, 3.5956, 3], [-0.02053, 2.3607, 3]],
         '3p': [[-0.00138, 44.2552, 2], [-0.07764, 17.0216, 2], [-0.51160997, 9.1338, 2], [0.80474001, 4.3835, 2], [-0.02992, 13.8576, 3], 
                [0.42038, 3.6094, 3], [0.0514, 2.3574, 3]],
         '3d': [[0.01771, 13.3893, 3], [0.2137, 7.0309, 3], [0.40801999, 4.2924, 3], [0.38760999, 2.5553, 3], [0.14058, 1.5352, 3]],
          'Ca core':{'fa':[1.62897 ,8.87010 ,7.51987 ,0.92686],'fb':[89.27464 ,4.42793 ,0.29169 ,31.68325],'fc':1.05131,'Ne':1},           #Rw: 0.028
        '<j0> 3d':{'fa':[0.38040 ,0.63824 ,-0.01989 ,0.00000],'fb':[17.26171 ,4.92967 ,0.37569 ,0.00000],'fc':0.00000,'Ne':7},             #Rw: 0.186
        '<j2> 3d':{'fa':[0.22240 ,-0.07556 ,0.05864 ,-0.20411],'fb':[1.58315 ,28.68983 ,0.57132 ,10.76539],'fc':-0.00129,'Ne':1},          #Rw: 0.053
        '<j4> 3d':{'fa':[0.01678 ,-0.14960 ,0.12822 ,0.00000],'fb':[37.30800 ,4.57424 ,0.51390 ,0.00000],'fc':0.00464,'Ne':1}},            #Rw: 0.269
    'Co+2':{'ZSlater':7.047,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[27.4389,9.0963,11.5433,4.2311,4.1131,4.0730,1.6010,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,7,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.44362 ,6.31532 ,7.57992 ,1.73033],'fb':[9.37432 ,4.21362 ,0.28179 ,4.21194],'fc':0.93094,'Ne':1},           #Rw: 0.013
        '<j0> 3d':{'fa':[0.40416 ,0.61756 ,-0.02255 ,0.00000],'fb':[15.49886 ,4.74809 ,0.41822 ,0.00000],'fc':0.00000,'Ne':7},             #Rw: 0.138
        '<j2> 3d':{'fa':[0.20172 ,-0.08876 ,0.08808 ,-0.20103],'fb':[1.72169 ,23.76097 ,0.71953 ,10.14711],'fc':0.00002,'Ne':1},           #Rw: 0.038
        '<j4> 3d':{'fa':[0.02183 ,-0.15775 ,0.13092 ,0.00000],'fb':[30.41751 ,4.56569 ,0.51791 ,0.00000],'fc':0.00503,'Ne':1}},            #Rw: 0.240
    'Co+3':{'ZSlater':7.047,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[27.4389,9.0963,11.5433,4.2311,4.1131,4.0730,1.6010,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,7,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[-1.63979 ,8.55392 ,7.57039 ,2.59067],'fb':[13.38516 ,4.25679 ,0.28014 ,12.17257],'fc':0.92450,'Ne':1},        #Rw: 0.010
        '<j0> 3d':{'fa':[0.40756 ,0.62208 ,-0.03013 ,0.00000],'fb':[12.50767 ,4.35176 ,0.48672 ,0.00000],'fc':0.00000,'Ne':6},             #Rw: 0.082
        '<j2> 3d':{'fa':[0.21398 ,-0.08936 ,0.10200 ,-0.22680],'fb':[1.70137 ,18.26511 ,0.73243 ,8.61540],'fc':0.00020,'Ne':1},            #Rw: 0.026
        '<j4> 3d':{'fa':[0.03110 ,-0.18072 ,0.14340 ,0.00000],'fb':[20.61112 ,3.94450 ,0.51880 ,0.00000],'fc':0.00623,'Ne':1}},            #Rw: 0.119
    'Ni':{'ZSlater':7.270,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[28.5391,9.4848,12.0514,4.4131,4.2947,4.1510,1.5712,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,8,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.99016702, 28.7488, 1], [-0.13675199, 24.5187, 2], [0.092508, 11.7003, 2], [0.11521, 35.2747, 3], [0.021278, 8.3195, 3],
                [-0.01427, 5.8939, 3], [0.007772, 4.0433, 3], [-0.056903, 14.1338, 4], [-0.003682, 2.4341, 4], [0.003267, 1.5232, 4], 
                [-0.001478, 0.9922, 4]],
         '2s': [[0.31028, 28.7024, 1], [0.14018001, 24.5551, 2], [-1.06276, 11.7193, 2], [0.01418, 35.2743, 3], [-0.06289, 8.3194, 3], 
                [0.01483, 5.8932, 3], [-0.02078, 4.0418, 3], [-0.0377, 14.1278, 4], [-0.00237, 2.4332, 4], [0.00181, 1.5225, 4],
                [0.00106, 0.9912, 4]], 
         '3s': [[-0.12122, 28.7271, 1], [-0.06915, 24.5226, 2], [0.50781, 11.7018, 2], [-0.00608, 35.2609, 3], [-0.02702, 8.3193, 3], 
                [-0.68516999, 5.8983, 3], [-0.46349999, 4.0485, 3], [0.10599, 14.1387, 4], [0.01024, 2.4333, 4], [0.00184, 1.5225, 4], 
                [9e-05, 0.9912, 4]],
         '4s': [[0.0239, 28.7266, 1], [0.01348, 24.5237, 2], [-0.1014, 11.7009, 2], [0.00166, 35.2606, 3], [-0.00485, 8.319, 3],
                [0.1823, 5.8933, 3], [0.07479, 4.0445, 3], [-0.02091, 14.1323, 4], [-0.29519001, 2.4411, 4], [-0.53408003, 1.5288, 4],
                [-0.30083999, 0.9987, 4]], 
         '2p': [[-0.004081, 46.7866, 2], [-0.32127801, 17.5821, 2], [-0.48498899, 9.568, 2], [0.009119, 4.5919, 2], [-0.240392, 14.6566, 3],
                [-0.017004, 3.754, 3], [-0.002353, 2.4675, 3]], 
         '3p': [[-0.00144, 46.7515, 2], [-0.07653, 17.7663, 2], [-0.51700002, 9.5754, 2], [0.81519002, 4.5909, 2], [-0.03037, 14.5124, 3],
                [0.41503999, 3.76, 3], [0.04874, 2.4644, 3]], 
         '3d': [[0.0181, 13.9019, 3], [0.22296999, 7.3593, 3], [0.41721001, 4.4625, 3], [0.37711999, 2.6355, 3], [0.13478, 1.5852, 3]],
          'Ca core':{'fa':[1.68472 ,8.88334 ,7.51924 ,0.87257],'fb':[83.24872 ,4.03231 ,0.26676 ,27.79372],'fc':1.03679,'Ne':1},           #Rw: 0.024
        '<j0> 3d':{'fa':[0.37191 ,0.64613 ,-0.01925 ,0.00000],'fb':[15.75278 ,4.43475 ,0.31176 ,0.00000],'fc':0.00000,'Ne':8},             #Rw: 0.184
        '<j2> 3d':{'fa':[0.23119 ,-0.07450 ,0.04997 ,-0.20366],'fb':[1.37175 ,26.08614 ,0.43101 ,9.64890],'fc':-0.00293,'Ne':1},           #Rw: 0.061
        '<j4> 3d':{'fa':[0.01616 ,-0.14817 ,0.12845 ,0.00000],'fb':[34.11461 ,4.07647 ,0.44799 ,0.00000],'fc':0.00358,'Ne':1}},            #Rw: 0.275
    'Ni+2':{'ZSlater':7.270,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[28.5391,9.4848,12.0514,4.4131,4.2947,4.1510,1.5712,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,8,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.50924 ,6.26439 ,7.62597 ,1.73305],'fb':[8.45013 ,3.81974 ,0.25509 ,3.82100],'fc':0.86745,'Ne':1},           #Rw: 0.007
        '<j0> 3d':{'fa':[0.39621 ,0.62478 ,-0.02184 ,0.00000],'fb':[14.19324 ,4.27583 ,0.35304 ,0.00000],'fc':0.00000,'Ne':8},             #Rw: 0.140
        '<j2> 3d':{'fa':[0.22488 ,-0.08247 ,0.06233 ,-0.20301],'fb':[1.42665 ,22.27684 ,0.51256 ,9.31316],'fc':-0.00170,'Ne':1},           #Rw: 0.039
        '<j4> 3d':{'fa':[0.02087 ,-0.15513 ,0.13063 ,0.00000],'fb':[28.12007 ,4.09750 ,0.44840 ,0.00000],'fc':0.00365,'Ne':1}},            #Rw: 0.281
    'Ni+3':{'ZSlater':7.270,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[28.5391,9.4848,12.0514,4.4131,4.2947,4.1510,1.5712,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,8,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[-1.40584 ,8.43585 ,7.62591 ,2.50065],'fb':[11.47714 ,3.84181 ,0.25235 ,10.33579],'fc':0.84320,'Ne':1},        #Rw: 0.007
        '<j0> 3d':{'fa':[0.40021 ,0.62813 ,-0.02882 ,0.00000],'fb':[11.56230 ,3.94342 ,0.41588 ,0.00000],'fc':0.00000,'Ne':7},             #Rw: 0.087
        '<j2> 3d':{'fa':[0.23603 ,-0.08467 ,0.07462 ,-0.22496],'fb':[1.41765 ,17.12234 ,0.55317 ,7.96539],'fc':-0.00101,'Ne':1},           #Rw: 0.029
        '<j4> 3d':{'fa':[0.02965 ,-0.176686 ,0.14188 ,0.00000],'fb':[19.28747 ,3.58410 ,0.45330 ,0.00000],'fc':0.00514,'Ne':1}},            #Rw: 0.137      
    'Cu':{'ZSlater':8.290,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[29.6482,9.8754,12.5597,4.6058,4.4931,4.3970,1.6229,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,10,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.00202596, 29.6349, 1], [-0.17460801, 25.2073, 2], [0.101792, 12.5522, 2], [0.1311, 36.5216, 3], [0.011053, 9.254, 3], 
                [-0.004394, 6.2707, 3], [0.003015, 4.1997, 3], [-0.049931, 14.8956, 4], [-0.000962, 2.4797, 4], [0.000611, 1.4755, 4], 
                [-0.000145, 0.9424, 4]],
         '2s': [[0.31386, 29.6853, 1], [0.14636999, 25.2656, 2], [-1.02417004, 12.5656, 2], [0.01548, 36.3621, 3], [-0.08348, 9.2484, 3], 
                [0.01224, 6.2647, 3], [-0.01798, 4.188, 3], [-0.07061, 14.8843, 4], [-0.00729, 2.4698, 4], [-0.00083, 1.4684, 4], [9e-05, 0.9292, 4]],
         '3s': [[-0.12195, 29.6968, 1], [-0.07188, 25.2502, 2], [0.48488, 12.5553, 2], [-0.00632, 36.3551, 3], [0.01504, 9.2484, 3], 
                [-0.68781, 6.27, 3], [-0.48267001, 4.1975, 3], [0.11687, 14.8939, 4], [0.00113, 2.4699, 4], [-0.00626, 1.4684, 4], 
                [-0.00359, 0.9292, 4]],
         '4s': [[0.02071, 29.6964, 1], [0.01187, 25.2508, 2], [-0.08476, 12.555, 2], [0.0017, 36.3548, 3], [-0.01385, 9.2482, 3], 
                [0.16756999, 6.2639, 3], [0.06744, 4.1901, 3], [-0.02026, 14.889, 4], [-0.24368, 2.4737, 4], [-0.53094, 1.4801, 4], 
                [-0.35865, 0.9416, 4]],
         '2p': [[0.00389, 48.7959, 2], [0.32791001, 18.4616, 2], [0.42205, 10.0001, 2], [0.02047, 4.7454, 2], [0.28467, 15.1547, 3], 
                [0.00017, 3.8218, 3], [-0.00585, 2.5167, 3]],
         '3p': [[0.00156, 48.7951, 2], [0.07728, 18.4708, 2], [0.50906003, 9.9987, 2], [-0.83749998, 4.7371, 2], [0.03508, 15.1421, 3], 
                [-0.38758001, 3.8376, 3], [-0.05394, 2.513, 3]],
         '3d': [[0.01921, 14.1927, 3], [0.23745, 7.5405, 3], [0.42493001, 4.4636, 3], [0.36717001, 2.5106, 3], [0.15243, 1.4047, 3]]
          },
    'Cu+2':{'ZSlater':8.290,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[29.6482,9.8754,12.5597,4.6058,4.4931,4.3970,1.6229,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,10,], [1,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Ar core':{'fa':[1.60130 ,5.94946 ,7.68014 ,1.97912],'fb':[7.62483 ,3.46911 ,0.23089 ,3.46960],'fc':0.78989,'Ne':1},           #Rw: 0.005
        '<j0> 3d':{'fa':[0.38805 ,0.63180 ,-0.02070 ,0.00000],'fb':[13.08204 ,3.88361 ,0.28731 ,0.00000],'fc':0.00000,'Ne':9},             #Rw: 0.139
        '<j2> 3d':{'fa':[0.23115 ,-0.08327 ,0.05555 ,-0.20028],'fb':[1.25371 ,20.40557 ,0.40580 ,8.37761],'fc':-0.00313,'Ne':1},           #Rw: 0.042
        '<j4> 3d':{'fa':[0.01991 ,-0.15279 ,0.13071 ,0.00000],'fb':[26.18505 ,3.69564 ,0.39165 ,0.00000],'fc':0.00219,'Ne':1}},            #Rw: 0.247
    'Zn':{'ZSlater':8.582,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[30.7660,10.2670,13.0673,4.8084,4.7071,4.7954,1.7681,],
         'popCore':[[2,], [2,6,], [2,6,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,10,], [2,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[0.99719602, 30.7338, 1], [-0.15169699, 26.0591, 2], [0.117199, 13.2539, 2], [0.104826, 37.7399, 3], [0.040846, 9.8601, 3], 
                [-0.023948, 6.6342, 3], [0.009317, 4.4684, 3], [-0.075564, 15.6268, 4], [-0.003844, 2.6396, 4], [0.003372, 1.6279, 4], 
                [-0.001557, 1.0419, 4]], 
         '2s': [[0.31748, 30.6503, 1], [0.14562, 26.1234, 2], [-0.99765998, 13.2915, 2], [0.01767, 37.7744, 3], [-0.10839, 9.8599, 3], 
                [0.03491, 6.6338, 3], [-0.03923, 4.4665, 3], [-0.08865, 15.6018, 4], [0.00663, 2.6387, 4], [0.0107, 1.6263, 4], [0.00369, 1.0391, 4]], 
         '3s': [[-0.12225, 30.7027, 1], [-0.08795, 26.0605, 2], [0.48864001, 13.2542, 2], [0.00084, 37.7395, 3], [0.04937, 9.8597, 3], 
                [-0.68351001, 6.6379, 3], [-0.51168001, 4.4816, 3], [0.11298, 15.6277, 4], [0.0069, 2.6386, 4], 
                [0.01936, 1.6258, 4], [0.01206, 1.0393, 4]], 
         '4s': [[0.02112, 30.7026, 1], [0.01225, 26.0605, 2], [-0.08219, 13.254, 2], [0.0017, 37.7395, 3], [-0.02159, 9.8589, 3], 
                [0.16121, 6.6346, 3], [0.07298, 4.4693, 3], [-0.01814, 15.6259, 4], [-0.28751001, 2.6455, 4], [-0.53631997, 1.634, 4],
                [-0.31029999, 1.0488, 4]], 
         '2p': [[-0.00426, 51.338, 2], [-0.32326999, 19.1171, 2], [-0.44694, 10.4277, 2], [-0.0196, 5.0046, 2], [-0.26453999, 15.8804, 3],
                [0.01927, 4.0676, 3], [-0.0262, 2.6704, 3]],
         '3p': [[-0.00164, 51.3226, 2], [-0.07711, 19.2118, 2], [-0.51613998, 10.4331, 2], [0.82872999, 4.9995, 2], [-0.03635, 15.7933, 3],
                [0.40454999, 4.0797, 3], [0.04851, 2.6675, 3]],
         '3d': [[0.01819, 15.0375, 3], [0.22920001, 8.0847, 3], [0.41670001, 4.9163, 3], [0.37457001, 2.8888, 3], [0.13542999, 1.7015, 3]],
          },
    'Ga':{'ZSlater':3.577,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[31.8926,10.6601,13.5719,5.0151,4.9262,5.1893,1.9587,1.4480,],
         'popCore':[[2,], [2,6,], [2,6,10,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,1,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.01241302, 31.5939, 1], [-0.23257001, 26.8186, 2], [0.118894, 13.9031, 2], [0.163901, 39.2901, 3], [-0.25480101, 10.3916, 3],
                [-0.059118, 7.0362, 3], [0.15479299, 4.7701, 3], [0.15995599, 16.3734, 4], [-0.010545, 2.8387, 4], [-0.031956, 1.8235, 4],
                [-0.015233, 1.2004, 4]],
         '2s': [[-0.31142601, 31.7211, 1], [-0.200812, 26.8688, 2], [1.01692998, 13.8975, 2], [0.014586, 39.0082, 3], [0.06222, 10.3962, 3],
                [0.040809, 7.0298, 3], [-0.014447, 4.7722, 3], [0.098783, 16.367, 4], [0.00315, 2.8376, 4], [0.008396, 1.8239, 4], [-0.007642, 1.2007, 4]],
         '3s': [[0.124861, 31.7059, 1], [0.087297, 26.8958, 2], [-0.48441899, 13.9064, 2], [0.000752, 39.0025, 3], [-0.072279, 10.3983, 3],
                [0.65697497, 7.0351, 3], [0.55111498, 4.7865, 3], [-0.114756, 16.353, 4], [-0.008549, 2.8374, 4], [-0.012483, 1.8234, 4],
                [-0.010555, 1.2003, 4]],
         '4s': [[0.026358, 31.7059, 1], [0.015292, 26.8955, 2], [-0.100253, 13.9061, 2], [0.002126, 39.0025, 3], [-0.027101, 10.3973, 3],
                [0.181914, 7.0304, 3], [0.111837, 4.7761, 3], [-0.024065, 16.3515, 4], [-0.330221, 2.8494, 4], [-0.54739201, 1.8281, 4],
                [-0.25180799, 1.2096, 4]],
         '2p': [[0.099647, 31.1632, 2], [0.55950803, 11.6758, 2], [0.204864, 25.0741, 3], [0.113455, 8.273, 3], [-0.123658, 5.5158, 3],
                [0.082166, 3.7962, 3], [0.154716, 20.7703, 4], [0.00932, 2.2936, 4], [-0.031412, 1.3764, 4], [0.000344, 0.8688, 4]],
         '3p': [[-0.024036, 30.9664, 2], [-0.38737199, 11.6879, 2], [-0.03569, 25.4366, 3], [0.266559, 8.2585, 3], [0.629794, 5.5154, 3],
                [0.268462, 3.801, 3], [-0.021008, 20.5275, 4], [0.009841, 2.288, 4], [-0.002935, 1.3752, 4], [-0.003775, 0.8682, 4]],
         '4p': [[-0.004589, 30.9647, 2], [-0.062126, 11.684, 2], [-0.005717, 25.4398, 3], [0.048794, 8.26, 3], [0.130208, 5.5104, 3],
                [0.01378, 3.7964, 3], [-0.003959, 20.5257, 4], [-0.27227801, 2.2951, 4], [-0.52990502, 1.3799, 4], [-0.32708001, 0.8712, 4]],
         '3d': [[0.017851, 15.7464, 3], [0.22862899, 8.5617, 3], [0.42101699, 5.2705, 3], [0.37716499, 3.1774, 3], [0.10816, 1.9709, 3]],
          'Cu core':{'fa':[0.91470 ,6.24386 ,7.33905 ,12.71697],'fb':[17.02325 ,6.55290 ,0.19227 ,2.77804],'fc':0.78515,'Ne':1},           #Rw: 0.002
        '<j0> 4s':{'fa':[0.34897 ,0.84890 ,-1.94705 ,1.74921],'fb':[73.67991 ,34.34552 ,5.65109 ,5.19224],'fc':-0.00016,'Ne':2},           #Rw: 0.136
        '<j0> 4p':{'fa':[0.73692 ,-0.18836 ,0.36819 ,0.08296],'fb':[66.09642 ,9.53116 ,148.61990 ,4.73551],'fc':0.00010,'Ne':1},           #Rw: 0.071
        '<j2> 4p':{'fa':[0.39058 ,0.06313 ,-0.37037 ,-0.08233],'fb':[20.08873 ,1.49645 ,128.01652 ,2.07359],'fc':-0.00026,'Ne':1},         #Rw: 0.401
        '<j1> 4s,4p':{'fa':[0.12058 ,0.38072 ,-1.84017 ,1.33639],'fb':[3236.91243 ,213.87143 ,18.42041 ,15.60176],'fc':-0.00234,'Ne':1}},  #Rw: 1.623
    'Ge':{'ZSlater':3.799,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[33.0286,11.0535,14.0811,5.2266,5.1515,5.5694,2.1345,1.6649,],
         'popCore':[[2,], [2,6,], [2,6,10,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,2,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.01163995, 32.7798, 1], [-0.22, 27.8042, 2], [0.1194, 14.4017, 2], [0.15527, 40.2566, 3], [0.01719, 10.8283, 3], 
                [-0.00712, 7.4453, 3], [0.00401, 5.092, 3], [-0.06229, 17.0734, 4], [-0.00144, 3.0307, 4], [0.0009, 1.9993, 4], [-0.0007, 1.3475, 4]], 
         '2s': [[-0.32306999, 32.6885, 1], [-0.14292, 27.8414, 2], [0.98624998, 14.4239, 2], [-0.02036, 40.2861, 3], [0.12585001, 10.8277, 3],
                [-0.03559, 7.4436, 3], [0.03195, 5.0889, 3], [0.09052, 17.0523, 4], [0.00445, 3.0283, 4], [-0.00676, 1.9965, 4], 
                [-0.00412, 1.3445, 4]], 
         '3s': [[-0.12936001, 32.7211, 1], [-0.07438, 27.8037, 2], [0.48148999, 14.4025, 2], [-0.00764, 40.2598, 3], [0.07966, 10.8275, 3],
                [-0.61967999, 7.4485, 3], [-0.59776998, 5.1016, 3], [0.11991, 17.0747, 4], [0.01571, 3.0284, 4], [0.00527, 1.9966, 4], 
                [0.00019, 1.3445, 4]], 
         '4s': [[-0.03035, 32.7208, 1], [-0.01731, 27.804, 2], [0.11468, 14.4021, 2], [-0.00238, 40.2593, 3], [0.03237, 10.8267, 3],
                [-0.19158, 7.4439, 3], [-0.14993, 5.0958, 3], [0.02756, 17.0699, 4], [0.37156999, 3.0455, 4], [0.53836, 1.9986, 4], 
                [0.22115999, 1.3547, 4]], 
         '2p': [[0.09501, 32.7269, 2], [0.58171999, 12.1685, 2], [0.19842, 26.0084, 3], [0.13845, 8.7596, 3], [-0.19959, 5.8578, 3],
                [0.16452, 4.0846, 3], [0.13699999, 21.8787, 4], [-0.05285, 2.5545, 4], [-0.0192, 1.5946, 4], [0.04578, 1.0301, 4]], 
         '3p': [[-0.02291, 32.3736, 2], [-0.39669999, 12.2271, 2], [-0.03278, 26.604, 3], [0.24445, 8.7248, 3], [0.63925999, 5.845, 3], 
                [0.27812999, 4.0917, 3], [-0.02018, 21.4935, 4], [0.00971, 2.5444, 4], [-0.00115, 1.5876, 4], [-0.00508, 1.028, 4]],
         '4p': [[-0.00505, 32.372, 2], [-0.07675, 12.2231, 2], [-0.0061, 26.6069, 3], [0.05452, 8.7261, 3], [0.15356, 5.8401, 3], 
                [0.03222, 4.086, 3], [-0.00515, 21.4919, 4], [-0.30335999, 2.5515, 4], [-0.54084998, 1.5909, 4], [-0.27963001, 1.028, 4]], 
         '3d': [[0.01747, 16.4717, 3], [0.22723, 9.0342, 3], [0.42005, 5.6349, 3], [0.38345999, 3.4833, 3], [0.08972, 2.1989, 3]],
          'Cu core':{'fa':[0.81196 ,6.29273 ,7.36475 ,12.84610],'fb':[13.69391 ,5.60548 ,0.17328 ,2.50373],'fc':0.68428,'Ne':1},           #Rw: 0.002
        '<j0> 4s':{'fa':[0.36610 ,-1.75569 ,0.88229 ,1.50754],'fb':[56.22231 ,5.13968 ,26.68598 ,4.56876],'fc':-0.00039,'Ne':2},           #Rw: 0.148
        '<j0> 4p':{'fa':[0.78554 ,-0.40691 ,0.34753 ,0.27361],'fb':[47.40616 ,6.79200 ,107.16185 ,4.83647],'fc':0.00005,'Ne':2},           #Rw: 0.082
        '<j2> 4p':{'fa':[0.43404 ,-0.38353 ,-0.06571 ,0.01710],'fb':[14.03355 ,89.07599 ,3.38551 ,0.73644],'fc':-0.00103,'Ne':1},          #Rw: 0.465
        '<j1> 4s,4p':{'fa':[0.12106 ,0.40399 ,-2.67932 ,2.14923],'fb':[2456.37280 ,155.77467 ,14.07462 ,12.48455],'fc':-0.00338,'Ne':1}},  #Rw: 1.998
    'As':{'ZSlater':4.071,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[34.1746,11.4486,14.5919,5.4420,5.3807,5.9382,2.3033,1.8569,],
         'popCore':[[2,], [2,6,], [2,6,10,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,3,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.01903999, 33.7454, 1], [-0.24855299, 28.5481, 2], [0.121855, 15.1543, 2], [0.17022, 41.4612, 3], [0.006713, 11.3325, 3],
                [-0.000893, 7.7313, 3], [-0.002368, 5.3725, 3], [-0.045979, 17.6927, 4], [0.002564, 3.217, 4], [-0.002967, 2.1497, 4],
                [0.001305, 1.48, 4]],
         '2s': [[-0.326516, 33.6578, 1], [-0.144871, 28.6039, 2], [0.96749902, 15.1889, 2], [-0.021997, 41.5034, 3], [0.14267699, 11.3332, 3],
                [-0.049873, 7.7304, 3], [0.042326, 5.3674, 3], [0.107921, 17.6605, 4], [0.002598, 3.2157, 4], [-0.012346, 2.1464, 4],
                [-0.006851, 1.474, 4]],
         '3s': [[-0.131708, 33.7075, 1], [-0.077199, 28.5488, 2], [0.47905001, 15.154, 2], [-0.008246, 41.4604, 3], [0.080505, 11.3329, 3],
                [-0.60946798, 7.7372, 3], [-0.60527098, 5.3804, 3], [0.13061801, 17.6955, 4], [0.013796, 3.2157, 4], [0.004821, 2.1465, 4],
                [-0.001459, 1.474, 4]],
         '4s': [[0.033947, 33.7071, 1], [0.019952, 28.5492, 2], [-0.12579601, 15.1541, 2], [0.002615, 41.4602, 3], [-0.031095, 11.3318, 3],
                [0.19981, 7.7303, 3], [0.179316, 5.3766, 3], [-0.03482, 17.6913, 4], [-0.41400501, 3.2377, 4], [-0.52776599, 2.1464, 4],
                [-0.19364101, 1.4855, 4]],
         '2p': [[0.095181, 34.0732, 2], [0.55022597, 12.7545, 2], [0.196946, 27.3573, 3], [0.149895, 9.3554, 3], [-0.16322599, 6.2472, 3],
                [0.108286, 4.4088, 3], [0.15818501, 22.7579, 4], [0.002483, 2.8001, 4], [-0.046532, 1.7845, 4], [0.020045, 1.1725, 4]],
         '3p': [[-0.022234, 33.8336, 2], [-0.40157399, 12.7728, 2], [-0.031109, 27.7881, 3], [0.202843, 9.332, 3], [0.65834999, 6.2471, 3],
                [0.293865, 4.4169, 3], [-0.021704, 22.4534, 4], [0.018549, 2.7882, 4], [-0.007529, 1.7796, 4], [-0.012497, 1.1707, 4]],
         '4p': [[-0.004014, 33.8306, 2], [-0.097389, 12.7685, 2], [-0.004412, 27.7931, 3], [0.055578, 9.3348, 3], [0.168685, 6.2381, 3],
                [0.058431, 4.4089, 3], [-0.001642, 22.4504, 4], [-0.326749, 2.793, 4], [-0.54493201, 1.781, 4], [-0.25295401, 1.1685, 4]],
         '3d': [[0.01793, 17.0582, 3], [0.23755001, 9.3964, 3], [0.43230999, 5.8581, 3], [0.37338999, 3.6978, 3], [0.06544, 2.3473, 3]],
          'Cu core':{'fa':[0.65354 ,6.15628 ,7.35219 ,13.19852],'fb':[11.72466 ,4.97954 ,0.15876 ,2.28484],'fc':0.63916,'Ne':1},           #Rw: 0.002
        '<j0> 4s':{'fa':[0.73130 ,5.43215 ,-5.29553 ,0.13217],'fb':[37.23806 ,11.40763 ,10.40418 ,2.77424],'fc':-0.00071,'Ne':2},          #Rw: 0.202
        '<j0> 4p':{'fa':[0.82119 ,-0.93565 ,0.33577 ,0.77860],'fb':[36.69877 ,5.33300 ,83.24580 ,4.55235],'fc':-0.00009,'Ne':3},           #Rw: 0.084
        '<j2> 4p':{'fa':[2.22062 ,-1.67402 ,-0.18004 ,-0.36940],'fb':[13.00481 ,14.25381 ,6.24808 ,70.42919],'fc':0.00345,'Ne':1},         #Rw: 1.007
        '<j1> 4s,4p':{'fa':[0.12453 ,0.41803 ,-2.98518 ,2.43660],'fb':[1823.69878 ,120.63285 ,11.51502 ,10.27357],'fc':-0.00431,'Ne':1}},  #Rw: 2.143
    'Se':{'ZSlater':4.358,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[35.3313,11.8468,15.1040,5.6608,5.6131,6.3009,2.4668,2.0349,],
         'popCore':[[2,], [2,6,], [2,6,10,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,4,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.02451301, 34.7523, 1], [-0.27177399, 29.3772, 2], [0.126003, 15.7401, 2], [0.18327899, 42.759, 3], [-0.007574, 11.7499, 3],
                [0.007574, 8.024, 3], [-0.006158, 5.6568, 3], [-0.032946, 18.3255, 4], [0.003842, 3.4123, 4], [-0.003765, 2.2942, 4], 
                [0.001583, 1.5903, 4]],
         '2s': [[-0.32926801, 34.6762, 1], [-0.14417399, 29.4177, 2], [0.965662, 15.7664, 2], [-0.023213, 42.792, 3], [0.142231, 11.7507, 3],
                [-0.045026, 8.0224, 3], [0.035851, 5.6521, 3], [0.111786, 18.2994, 4], [0.008303, 3.4109, 4], [-0.009802, 2.2896, 4], 
                [-0.006888, 1.5845, 4]], 
         '3s': [[-0.13397001, 34.7126, 1], [-0.07783, 29.378, 2], [0.482685, 15.74, 2], [-0.008804, 42.7588, 3], [0.074439, 11.75, 3],
                [-0.59407699, 8.0266, 3], [-0.61739802, 5.6672, 3], [0.13692699, 18.332, 4], [0.017172, 3.411, 4], [-0.001581, 2.2897, 4],
                [-0.004863, 1.5845, 4]], 
         '4s': [[-0.037278, 34.7126, 1], [-0.021836, 29.3785, 2], [0.13731501, 15.7401, 2], [-0.002992, 42.7575, 3], [0.030725, 11.7494, 3],
                [-0.20677599, 8.0222, 3], [-0.207936, 5.6629, 3], [0.039675, 18.3239, 4], [0.45256701, 3.4365, 4], [0.52383798, 2.2878, 4],
                [0.165261, 1.5956, 4]], 
         '2p': [[0.093809, 35.6129, 2], [0.53705198, 13.3192, 2], [0.197864, 28.3057, 3], [0.200702, 10.1136, 3], [-0.25617799, 6.6989, 3],
                [0.200396, 4.7411, 3], [0.151209, 23.878, 4], [-0.05504, 3.0447, 4], [-0.028165, 1.9337, 4], [0.049943, 1.2511, 4]], 
         '3p': [[-0.020365, 35.2189, 2], [-0.41787201, 13.3748, 2], [-0.025132, 28.955, 3], [0.16494299, 10.0638, 3], [0.66362602, 6.6768, 3],
                [0.32516199, 4.7556, 3], [-0.017751, 23.4261, 4], [0.016608, 3.0297, 4], [-0.00382, 1.9223, 4], [-0.012141, 1.2452, 4]], 
         '4p': [[-0.00326, 35.2165, 2], [-0.117802, 13.3694, 2], [-0.00128, 28.9584, 3], [0.05537, 10.0639, 3], [0.178812, 6.6717, 3],
                [0.083021, 4.7453, 3], [0.002822, 23.4245, 4], [-0.362786, 3.0363, 4], [-0.53575701, 1.9218, 4], [-0.24036001, 1.2462, 4]], 
         '3d': [[0.01794, 17.6943, 3], [0.24260999, 9.8026, 3], [0.44466001, 6.1155, 3], [0.36252001, 3.9304, 3], [0.04969, 2.4906, 3]],
          'Cu core':{'fa':[0.65789 ,6.18816 ,7.40820 ,13.23947],'fb':[9.68710 ,4.31666 ,0.14279 ,2.07159],'fc':0.50637,'Ne':1},            #Rw: 0.001
        '<j0> 4s':{'fa':[1.16394 ,-5.73191 ,9.44458 ,-3.88375],'fb':[25.23159 ,2.20304 ,1.92631 ,1.66883],'fc':0.00391,'Ne':2},            #Rw: 0.505
        '<j0> 4p':{'fa':[0.33526 ,-1.51331 ,0.84444 ,1.33375],'fb':[66.99555 ,4.54390 ,29.49512 ,4.07361],'fc':-0.00030,'Ne':4},           #Rw: 0.087
        '<j2> 4p':{'fa':[2.19012 ,-1.49241 ,-0.36786 ,-0.33367],'fb':[10.48764 ,12.05046 ,56.97851 ,5.97758],'fc':0.00439,'Ne':1},         #Rw: 1.031
        '<j1> 4s,4p':{'fa':[0.12738 ,0.42922 ,-3.14493 ,2.58177],'fb':[1426.11704 ,97.27476 ,9.74521 ,8.70099],'fc':-0.00525,'Ne':1}},     #Rw: 2.259
    'Br':{'ZSlater':4.650,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[36.4987,12.2470,15.6176,5.8822,5.8479,6.6579,2.6266,2.2041,],
         'popCore':[[2,], [2,6,], [2,6,10,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [2,5,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.03017902, 35.7556, 1], [-0.293589, 30.2301, 2], [0.130206, 16.2822, 2], [0.195568, 43.9413, 3], [-0.014623, 12.1555, 3], 
                [0.011521, 8.3117, 3], [-0.00787, 5.9421, 3], [-0.026376, 18.9661, 4], [0.004103, 3.6177, 4], [-0.003698, 2.4376, 4], 
                [0.001466, 1.6995, 4]],
         '2s': [[0.337565, 35.3339, 1], [0.124841, 30.6181, 2], [-0.93184203, 16.5502, 2], [0.030352, 44.3716, 3], [-0.18536399, 12.1605, 3], 
                [0.155084, 8.3182, 3], [-0.14165901, 5.9383, 3], [-0.13931, 18.7439, 4], [0.078292, 3.6222, 4], [-0.0282, 2.4359, 4], 
                [-0.006112, 1.7022, 4]],
         '3s': [[-0.136214, 35.7152, 1], [-0.077873, 30.2307, 2], [0.48745999, 16.2817, 2], [-0.009457, 43.9398, 3], [0.080025, 12.1566, 3], 
                [-0.59521103, 8.32, 3], [-0.61796701, 5.9532, 3], [0.136694, 18.9692, 4], [0.010564, 3.617, 4], [0.002059, 2.4341, 4], 
                [-0.002996, 1.6936, 4]],
         '4s': [[-0.04019, 35.7148, 1], [-0.023338, 30.2312, 2], [0.147507, 16.2817, 2], [-0.003234, 43.9396, 3], [0.029047, 12.1552, 3], 
                [-0.209626, 8.3107, 3], [-0.23587, 5.9515, 3], [0.044044, 18.9654, 4], [0.48224899, 3.6474, 4], [0.521658, 2.4302, 4], 
                [0.14524201, 1.7046, 4]],
         '2p': [[0.090961, 37.3526, 2], [0.53498101, 13.8738, 2], [0.19929899, 29.1718, 3], [0.23327699, 11.02, 3], [-0.32401001, 7.172, 3], 
                [0.288753, 5.0943, 3], [0.135456, 25.0277, 4], [-0.16534901, 3.3186, 4], [0.116283, 2.0985, 4], [-0.036956, 1.3765, 4]],
         '3p': [[-0.019855, 36.6754, 2], [-0.41750899, 14.0001, 2], [-0.023384, 30.1477, 3], [0.11915, 10.8979, 3], [0.68600899, 7.0982, 3], 
                [0.33678401, 5.0843, 3], [-0.020365, 24.3917, 4], [0.027158, 3.2746, 4], [-0.009518, 2.079, 4], [-0.020251, 1.3413, 4]],
         '4p': [[-0.003774, 36.6717, 2], [-0.121997, 13.9929, 2], [-0.001805, 30.1518, 3], [0.044297, 10.897, 3], [0.196528, 7.0898, 3], 
                [0.102786, 5.0702, 3], [-0.000153, 24.39, 4], [-0.38091999, 3.2815, 4], [-0.53637201, 2.0815, 4], [-0.230395, 1.338, 4]],
         '3d': [[0.01725, 18.498, 3], [0.24079999, 10.2724, 3], [0.45355999, 6.4369, 3], [0.35856, 4.1902, 3], [0.03957, 2.6395, 3]],
          'Cu core':{'fa':[0.64144 ,6.18991 ,7.47211 ,13.32565],'fb':[8.27530 ,3.80474 ,0.12879 ,1.88915],'fc':0.37080,'Ne':1},            #Rw: 0.001
        '<j0> 4s':{'fa':[0.43842 ,0.94448 ,-2.66878 ,2.28724],'fb':[31.11595 ,15.03024 ,3.78647 ,3.37983],'fc':-0.00155,'Ne':2},           #Rw: 0.137
        '<j0> 4p':{'fa':[0.33635 ,-1.84144 ,0.86393 ,1.64157],'fb':[55.50444 ,4.00078 ,24.42156 ,3.62134],'fc':-0.00057,'Ne':5},           #Rw: 0.083
        '<j2> 4p':{'fa':[2.44966 ,-0.41420 ,-2.04013 ,0.00000],'fb':[5.88307 ,44.13080 ,5.33806 ,0.00000],'fc':0.00573,'Ne':1},            #Rw: 1.164
        '<j1> 4s,4p':{'fa':[0.12982 ,0.43904 ,-3.25600 ,2.68035],'fb':[1152.52491 ,80.58437 ,8.43699 ,7.53224],'fc':-0.00621,'Ne':1}},     #Rw: 2.348
    'Kr':{'ZSlater':4.735,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[37.6775,12.6493,16.1326,6.1058,6.0844,7.0102,2.7835,2.3673],
          'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
          'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
          '1s': [[1.11025095, 35.251, 1], [-0.72533202, 29.7431, 2], [0.75332999, 16.6815, 2], [0.208369, 51.2273, 3], [0.31870401, 12.6688, 3],
                 [-0.15484899, 8.7877, 3], [0.06087, 6.645, 3], [-0.65847301, 19.8471, 4], [-0.012872, 4.1495, 4], [0.011925, 2.9046, 4],
                 [-0.005655, 2.4027, 4]], 
          '2s': [[-0.3348, 36.7138, 1], [-0.13858999, 31.1194, 2], [0.97337002, 16.7616, 2], [-0.02571, 45.1229, 3], [0.13170999, 12.5174, 3], 
                 [-0.02531, 8.5716, 3], [0.01549, 6.217, 3], [0.10812, 19.5943, 4], [0.01341, 3.8389, 4], [0.00164, 2.5911, 4], [-0.00123, 1.81, 4]],
          '3s': [[0.13852, 36.721, 1], [0.07652, 31.1113, 2], [-0.49463999, 16.7541, 2], [0.01047, 45.1136, 3], [-0.0784, 12.5185, 3],
                 [0.59852999, 8.5821, 3], [0.61365998, 6.2324, 3], [-0.13605, 19.6037, 4], [-0.00774, 3.8392, 4], [-0.00185, 2.5912, 4], [0.00189, 1.81, 4]],
          '4s': [[0.042837, 36.7206, 1], [0.024373, 31.1117, 2], [-0.157463, 16.754, 2], [0.0035, 45.1135, 3], [-0.026124, 12.517, 3],
                 [0.21197499, 8.5712, 3], [0.26099801, 6.2314, 3], [-0.047397, 19.6009, 4], [-0.500687, 3.8732, 4], [-0.521294, 2.5857, 4],
                 [-0.135649, 1.821, 4]],
          '2p': [[0.06819, 38.0286, 2], [0.74269003, 14.6963, 2], [0.11613, 31.3127, 3], [0.02472, 11.7832, 3], [0.00999, 7.4972, 3], 
                 [0.01511, 5.3888, 3], [0.08668, 25.3645, 4], [0.00474, 3.5216, 4], [0.00114, 2.2424, 4], [0.00022, 1.4475, 4]],
          '3p': [[-0.015273, 38.0299, 2], [-0.459939, 14.7013, 2], [-0.009335, 31.3134, 3], [0.106715, 11.7864, 3], [0.67497402, 7.4958, 3],
                 [0.37768799, 5.4036, 3], [-0.005278, 25.3619, 4], [0.000313, 3.5219, 4], [-0.007226, 2.2426, 4], [-0.012502, 1.4475, 4]], 
          '4p': [[0.001045, 38.0283, 2], [-0.15307599, 14.6935, 2], [0.007595, 31.3136, 3], [0.045489, 11.7836, 3], [0.1752, 7.4979, 3],
                 [0.12909999, 5.389, 3], [0.015016, 25.3637, 4], [-0.39124101, 3.5241, 4], [-0.53603601, 2.2405, 4], [-0.230092, 1.4431, 4]], 
          '3d': [[0.01714, 19.1363, 3], [0.24354, 10.6902, 3], [0.46776, 6.6981, 3], [0.34347999, 4.4211, 3], [0.03147, 2.7615, 3]],
          },
    'Rb':{'ZSlater':2.175,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[38.8707,13.0618,16.6508,6.3329,6.3238,7.3638,2.9696,2.5957,0.0000,0.0000,1.0875,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.04325604, 37.6989, 1], [-0.31936699, 31.9402, 2], [0.109639, 16.8623, 2], [0.220338, 45.355, 3], [-0.013767, 12.0922, 3],
                [-0.00797, 6.6453, 3], [-0.012832, 19.9153, 4], [0.00278, 3.9731, 4], [-0.001562, 2.6092, 4], [0.008905, 11.5427, 5],
                [0.000129, 1.7329, 5], [0.000547, 1.0914, 5], [-0.000411, 0.73, 5]],
         '2s': [[0.33998799, 37.535, 1], [0.128121, 32.0611, 2], [-1.00920999, 16.9422, 2], [0.028603, 45.4964, 3], [-0.091471, 12.0947, 3],
                [-0.14872199, 6.638, 3], [-0.080457, 19.8636, 4], [0.042124, 3.9726, 4], [0.00728, 2.6075, 4], [0.116138, 11.5591, 5],
                [-0.022561, 1.7306, 5], [-0.0035, 1.0854, 5], [0.000608, 0.7168, 5]],
         '3s': [[-0.14101, 37.66, 1], [-0.07964, 31.94, 2], [0.54568398, 16.8625, 2], [-0.010882, 45.3544, 3], [-0.279834, 12.0894, 3],
                [-0.75223202, 6.668, 3], [0.17225499, 19.9214, 4], [0.014719, 3.9723, 4], [-0.010468, 2.6063, 4], [-0.20576701, 11.5462, 5], [-0.003863, 1.7303, 5], [0.000257, 1.0853, 5], [5e-06, 0.7168, 5]],
         '4s': [[0.046691, 37.6598, 1], [0.027137, 31.9402, 2], [-0.18756799, 16.8618, 2], [0.004372, 45.3535, 3], [0.103355, 12.0914, 3],
                [0.333846, 6.6605, 3], [-0.062626, 19.9158, 4], [-0.58580297, 4.0134, 4], [-0.55632401, 2.6058, 4], [0.081769, 11.5413, 5],
                [-0.012952, 1.7312, 5], [0.000267, 1.0855, 5], [-0.00688, 0.7168, 5]],
         '5s': [[0.009714, 37.6597, 1], [0.006543, 31.9404, 2], [-0.040294, 16.8617, 2], [0.000352, 45.3535, 3], [0.023399, 12.0916, 3],
                [0.075921, 6.6432, 3], [-0.014294, 19.9148, 4], [-0.156902, 3.9733, 4], [-0.09715, 2.6086, 4], [0.017219, 11.5421, 5], [0.18518899, 1.7322, 5], [0.54933399, 1.096, 5], [0.391298, 0.7247, 5]],
         '2p': [[0.079956, 40.4901, 2], [0.53852999, 15.5864, 2], [0.15845101, 32.9741, 3], [0.144348, 12.7344, 3], [0.02706, 7.9211, 3],
                [-0.071006, 5.7158, 3], [0.16668101, 26.874, 4], [0.067288, 3.7753, 4], [-0.006812, 2.43, 4], [-0.024994, 1.6133, 4]],
         '3p': [[-0.01513, 40.4129, 2], [-0.43366399, 15.5582, 2], [-0.011124, 33.1335, 3], [0.045963, 12.7474, 3], [0.70163798, 7.9337, 3],
                [0.37792301, 5.7238, 3], [-0.01378, 26.7288, 4], [0.02719, 3.7731, 4], [-0.039328, 2.4256, 4], [0.002448, 1.6099, 4]],
         '4p': [[-0.000372, 40.4071, 2], [-0.162149, 15.5468, 2], [0.008156, 33.1346, 3], [0.03721, 12.745, 3], [0.20291901, 7.9156, 3],
                [0.15350799, 5.7137, 3], [0.011401, 26.7293, 4], [-0.428734, 3.7827, 4], [-0.57823199, 2.4243, 4], [-0.14342199, 1.6088, 4]],
         '3d': [[0.016172, 19.9727, 3], [0.231434, 11.2418, 3], [0.44955501, 7.1726, 3], [0.35728201, 4.8534, 3], [0.042824, 3.1998, 3]],
          },
    'Sr':{'ZSlater':2.562,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[40.0738,13.4688,17.1696,6.5611,6.5643,7.7125,3.1546,2.8088,0.0000,0.0000,1.2812],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.04881096, 38.7186, 1], [-0.349558, 32.7624, 2], [0.124469, 17.6646, 2], [0.233799, 46.8251, 3], [-0.018203, 12.7986, 3], 
                [-0.006223, 6.9769, 3], [-0.011841, 20.6867, 4], [0.001117, 4.2141, 4], [-3.5e-05, 2.8515, 4], [0.011188, 12.1089, 5], 
                [-0.000232, 1.8502, 5], [-7e-05, 1.22, 5], [0.000327, 0.8313, 5]], 
         '2s': [[0.34144601, 38.6679, 1], [0.132625, 32.7711, 2], [-0.99549901, 17.6732, 2], [0.028334, 46.8363, 3], [-0.093221, 12.7984, 3], 
                [-0.010374, 6.9745, 3], [-0.111538, 20.6799, 4], [0.003032, 4.213, 4], [0.000645, 2.8498, 4], [0.004517, 12.1093, 5],
                [0.002184, 1.8495, 5], [-0.004787, 1.2153, 5], [0.003045, 0.8192, 5]], 
         '3s': [[0.14328299, 38.6771, 1], [0.081027, 32.7617, 2], [-0.53907698, 17.6643, 2], [0.011907, 46.8232, 3], [0.245306, 12.7945, 3],
                [0.77714002, 7.0016, 3], [-0.180237, 20.6897, 4], [-0.008028, 4.213, 4], [0.006305, 2.8493, 4], [0.20475499, 12.1177, 5],
                [0.004096, 1.8492, 5], [0.000261, 1.2152, 5], [0.000196, 0.8188, 5]], 
         '4s': [[0.05089, 38.6767, 1], [0.029497, 32.7621, 2], [-0.199139, 17.6639, 2], [0.005324, 46.8232, 3], [0.092348, 12.7973, 3], 
                [0.38015699, 6.9936, 3], [-0.06817, 20.6864, 4], [-0.605483, 4.2476, 4], [-0.55728698, 2.8562, 4], [0.08665, 12.1093, 5], 
                [0.002322, 1.8496, 5], [0.030962, 1.2144, 5], [0.013812, 0.8187, 5]],
         '5s': [[0.010601, 38.6766, 1], [0.006358, 32.7622, 2], [-0.041413, 17.6638, 2], [0.000815, 46.8232, 3], [0.020172, 12.7979, 3],
                [0.087921, 6.9762, 3], [-0.015821, 20.6858, 4], [-0.1709, 4.2203, 4], [-0.095405, 2.8543, 4], [0.015242, 12.1086, 5],
                [0.30113301, 1.8599, 5], [0.55019802, 1.2246, 5], [0.28394201, 0.8268, 5]], 
         '2p': [[0.07188, 44.6427, 2], [0.51129502, 16.3371, 2], [0.178619, 33.1864, 3], [0.27504501, 14.8333, 3],
                [-0.208087, 8.8157, 3], [0.22102199, 6.4446, 3], [0.096776, 29.0278, 4], [-0.158998, 4.5618, 4], 
                [0.13345499, 3.0554, 4], [-0.056174, 2.0758, 4]], 
         '3p': [[-0.009296, 42.7313, 2], [-0.455603, 16.6544, 2], [0.004991, 35.0193, 3], [0.016276, 13.8107, 3], [0.70142102, 8.2947, 3], 
                [0.39078599, 6.0211, 3], [0.001022, 28.1641, 4], [0.019306, 4.0095, 4], [-0.012389, 2.6166, 4], [-0.017918, 1.686, 4]],
         '4p': [[0.003273, 42.7301, 2], [-0.202572, 16.6393, 2], [0.018993, 35.0113, 3], [0.033857, 13.8074, 3], [0.22456101, 8.2949, 3],
                [0.180106, 6.0019, 3], [0.025219, 28.1754, 4], [-0.45709801, 4.0179, 4], [-0.60468698, 2.6161, 4], [-0.090184, 1.6853, 4]],
         '3d': [[0.015079, 20.7716, 3], [0.222012, 11.8003, 3], [0.43852201, 7.598, 3], [0.35858601, 5.283, 3], [0.058104, 3.5968, 3]],
          },
    'Y' :{'ZSlater':3.165,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[41.2899,13.8783,17.6908,6.7911,6.8059,8.0646,3.3279,2.9940,1.9533,0.0000,1.3970,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,1,0,], [2,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.05388498, 39.7691, 1], [-0.38892299, 33.6024, 2], [0.15163399, 18.3803, 2], [0.248671, 48.7468, 3], [-0.014399, 13.3457, 3], 
                [-0.006016, 7.2859, 3], [-0.017611, 21.3832, 4], [0.002006, 4.4496, 4], [-0.001162, 3.0499, 4], [0.006913, 12.5614, 5], 
                [0.00135, 2.006, 5], [-0.001625, 1.319, 5], [0.00083, 0.8886, 5]],
         '2s': [[0.345781, 39.5955, 1], [0.124826, 33.7106, 2], [-0.97110701, 18.4595, 2], [0.03191, 48.9202, 3], [-0.088263, 13.3468, 3], 
                [-0.007108, 7.2929, 3], [-0.14196999, 21.3156, 4], [0.010375, 4.4587, 4], [-0.01379, 3.0577, 4], [-0.00226, 12.5787, 5], 
                [0.011418, 2.0114, 5], [-0.010684, 1.3169, 5], [0.005121, 0.8876, 5]],
         '3s': [[0.145312, 39.7228, 1], [0.081255, 33.6021, 2], [-0.53525198, 18.3796, 2], [0.012552, 48.745, 3], [0.23158801, 13.3421, 3], 
                [0.79937702, 7.3127, 3], [-0.190543, 21.3892, 4], [-0.013488, 4.4491, 4], [0.013364, 3.0476, 4], [0.196013, 12.5669, 5], 
                [0.0039, 2.0044, 5], [-0.000965, 1.3112, 5], [-0.000289, 0.8747, 5]],
         '4s': [[0.053925, 39.7225, 1], [0.030695, 33.6027, 2], [-0.206424, 18.3794, 2], [0.006062, 48.744, 3], [0.085838, 13.344, 3], 
                [0.41641399, 7.3054, 3], [-0.073362, 21.3828, 4], [-0.621512, 4.4814, 4], [-0.55342901, 3.0607, 4], [0.086105, 12.5622, 5], 
                [0.006818, 2.0047, 5], [0.034593, 1.3101, 5], [0.016925, 0.8746, 5]],
         '5s': [[0.011059, 39.7224, 1], [0.006634, 33.6027, 2], [-0.041916, 18.3793, 2], [0.000694, 48.744, 3], [0.019068, 13.3445, 3], 
                [0.097368, 7.2858, 3], [-0.01777, 21.3821, 4], [-0.178295, 4.4581, 4], [-0.09347, 3.0531, 4], [0.012632, 12.5609, 5], 
                [0.31198499, 2.0163, 5], [0.54854602, 1.324, 5], [0.28105801, 0.8873, 5]],
         '2p': [[0.089632, 45.9529, 2], [0.26703, 17.8911, 2], [0.206001, 36.0505, 3], [0.46478501, 15.0467, 3], [-0.35560101, 8.9348, 3],
                [0.32417899, 6.4908, 3], [0.198213, 30.7888, 4], [-0.20237701, 4.3578, 4], [0.16046099, 2.8917, 4], [-0.061475, 1.8916, 4]],
         '3p': [[-0.003059, 45.1957, 2], [-0.47530001, 17.9107, 2], [0.021941, 37.1672, 3], [-0.021625, 14.7947, 3], [0.65667599, 8.7808, 3], 
                [0.45148599, 6.4139, 3], [0.018549, 29.901, 4], [0.011943, 4.2356, 4], [-0.003468, 2.7966, 4], [-0.018659, 1.7852, 4]],
         '4p': [[0.001694, 45.1958, 2], [-0.181714, 17.8993, 2], [0.015048, 37.1597, 3], [0.004893, 14.7949, 3], [0.230543, 8.782, 3],
                [0.21064401, 6.3995, 3], [0.015779, 29.9103, 4], [-0.47488701, 4.2461, 4], [-0.601605, 2.804, 4], [-0.079858, 1.7814, 4]],
         '3d': [[0.01693, 20.9996, 3], [0.25606701, 11.9042, 3], [0.59863502, 7.2908, 3], [0.132136, 4.6, 3], [0.085476, 5.7894, 4],
                [0.006149, 2.7134, 4], [-0.0027, 1.6373, 4], [-0.000938, 0.9993, 4]],
         '4d': [[-0.003871, 20.9991, 3], [-0.054268, 11.9066, 3], [-0.23890699, 7.2893, 3], [0.50904602, 4.6093, 3], [-0.36274999, 5.784, 4],
                [0.38647801, 2.7106, 4], [0.473479, 1.6284, 4], [0.233927, 0.9822, 4]],
         'Sr core':{'fa':[2.56710 ,9.95642 ,5.68260 ,17.83816],'fb':[122.81298 ,12.76505 ,0.13234 ,1.42397],'fc':1.94349,'Ne':1},         #Rw: 0.031
        '<j0> 4d':{'fa':[0.36687 ,0.71200 ,-0.19835 ,0.11944],'fb':[84.65773 ,31.28453 ,3.54875 ,1.93591],'fc':-0.00050,'Ne':1},           #Rw: 0.220
        '<j2> 4d':{'fa':[-0.31812 ,0.36210 ,-0.05049 ,0.01848],'fb':[71.82890 ,8.13387 ,2.22585 ,0.06758],'fc':-0.01048,'Ne':1},           #Rw: 0.787
        '<j4> 4d':{'fa':[0.03150 ,-0.20956 ,0.19047 ,-0.01568],'fb':[134.66583 ,23.34489 ,3.62317 ,0.78031],'fc':0.00329,'Ne':1}},         #Rw: 0.150
    'Zr':{'ZSlater':3.703,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[42.5194,14.2903,18.2138,7.0225,7.0486,8.4084,3.4949,3.1677,2.2153,0.0000,1.4872,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,2,0,], [2,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.05899894, 40.8444, 1], [-0.44193599, 34.4622, 2], [0.232409, 19.1705, 2], [0.25365099, 51.1786, 3], [-0.057816, 14.0071, 3], 
                [-0.027884, 7.6009, 3], [-0.040285, 22.139, 4], [0.008092, 4.6607, 4], [-0.005428, 3.2114, 4], [0.03982, 13.0608, 5],
                [0.002932, 2.1229, 5], [-0.002362, 1.3842, 5], [0.001103, 0.9253, 5]], 
         '2s': [[0.34858701, 40.6609, 1], [0.118694, 34.5574, 2], [-0.94743001, 19.2479, 2], [0.035434, 51.3766, 3], [-0.089739, 14.0075, 3],
                [-0.001659, 7.6081, 3], [-0.165766, 22.0611, 4], [0.007872, 4.6693, 4], [-0.011423, 3.2186, 4], [-0.008506, 13.0762, 5],
                [0.008912, 2.1281, 5], [-0.007569, 1.3829, 5], [0.003109, 0.925, 5]],
         '3s': [[-0.147356, 40.7886, 1], [-0.080441, 34.4606, 2], [0.527291, 19.1698, 2], [-0.013682, 51.1804, 3], [-0.21181101, 14.005, 3],
                [-0.82458103, 7.6325, 3], [0.202731, 22.1509, 4], [0.019715, 4.6598, 4], [-0.024756, 3.2074, 4], [-0.18814699, 13.0598, 5],
                [0.007639, 2.1201, 5], [0.00666, 1.3752, 5], [0.001529, 0.9098, 5]], 
         '4s': [[0.056265, 40.7893, 1], [0.031571, 34.4607, 2], [-0.20872401, 19.1696, 2], [0.006154, 51.176, 3], [0.077703, 14.0052, 3], 
                [0.45699701, 7.622, 3], [-0.081858, 22.139, 4], [-0.64961803, 4.7033, 4], [-0.53458297, 3.2162, 4], [0.078579, 13.0609, 5], 
                [0.003244, 2.1207, 5], [0.031768, 1.3747, 5], [0.010856, 0.9099, 5]], 
         '5s': [[0.012563, 40.7891, 1], [0.007353, 34.4609, 2], [-0.046206, 19.1696, 2], [0.000851, 51.176, 3], [0.0189, 14.0055, 3], 
                [0.114845, 7.5994, 3], [-0.021148, 22.1375, 4], [-0.202325, 4.6661, 4], [-0.094318, 3.2135, 4], [0.012549, 13.0608, 5],
                [0.325679, 2.1338, 5], [0.54673398, 1.393, 5], [0.27353901, 0.9291, 5]], 
         '2p': [[0.069271, 47.5284, 2], [0.418749, 18.9998, 2], [0.136324, 38.6648, 3], [0.36907601, 15.5588, 3], [-0.19842, 9.2224, 3],
                [0.17080601, 6.7509, 3], [0.16663601, 31.9215, 4], [-0.091163, 4.487, 4], [0.06832, 2.9895, 4], [-0.026212, 1.9255, 4]], 
         '3p': [[-0.007093, 47.2923, 2], [-0.413472, 18.9349, 2], [0.009965, 39.081, 3], [-0.079337, 15.5771, 3], [0.66087699, 9.2258, 3],
                [0.45984501, 6.7489, 3], [-0.001485, 31.4713, 4], [0.039823, 4.4678, 4], [-0.047544, 2.9671, 4], [0.022665, 1.8958, 4]],
         '4p': [[-0.000329, 47.2892, 2], [-0.161761, 18.9143, 2], [0.009604, 39.0634, 3], [-0.016553, 15.5796, 3], [0.23830099, 9.1963, 3],
                [0.23346099, 6.7489, 3], [0.006355, 31.483, 4], [-0.49094999, 4.4693, 4], [-0.593086, 2.9847, 4], [-0.077747, 1.8887, 4]], 
         '3d': [[0.017622, 21.6087, 3], [0.395917, 11.8522, 3], [0.361756, 5.6298, 3], [0.31061, 9.1569, 4], [0.021375, 4.1293, 4],
                [-0.005062, 2.6333, 4], [0.001389, 1.6878, 4], [0.001935, 1.1008, 4]],
         '4d': [[0.003968, 21.6044, 3], [0.095607, 11.8738, 3], [0.086759, 5.6327, 3], [0.06692, 9.1444, 4], [-0.198998, 4.1339, 4],
                [-0.41931999, 2.6339, 4], [-0.39465699, 1.6746, 4], [-0.17902701, 1.0646, 4]],
         'Sr core':{'fa':[2.53489 ,10.08001 ,6.57468 ,18.04459],'fb':[111.36183 ,11.36447 ,0.08886 ,1.29004],'fc':0.75302,'Ne':1},        #Rw: 0.031
        '<j0> 4d':{'fa':[0.34915 ,0.75515 ,-0.19991 ,0.09605],'fb':[65.15008 ,24.25139 ,3.58341 ,1.51198],'fc':-0.00088,'Ne':2},           #Rw: 0.076
        '<j2> 4d':{'fa':[0.43405 ,-0.33089 ,-0.10980 ,0.02641],'fb':[6.05586 ,53.35500 ,2.59432 ,0.02915],'fc':-0.01828,'Ne':1},           #Rw: 0.812
        '<j4> 4d':{'fa':[0.03338 ,-0.22777 ,0.21405 ,-0.02366],'fb':[97.60890 ,17.05485 ,2.96539 ,0.77443],'fc':0.00399,'Ne':1}},          #Rw: 0.109
    'Nb':{'ZSlater':4.346,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[43.7627,14.7046,18.7389,7.2552,7.2919,8.7498,3.6505,3.3213,2.3384,0.0000,1.5115,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,4,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.06601906, 41.7948, 1], [-0.44221899, 35.3344, 2], [0.202903, 19.4802, 2], [0.265468, 51.3735, 3], [-0.051511, 14.2974, 3], 
                [-0.016833, 7.8731, 3], [-0.034835, 22.7007, 4], [0.002297, 4.884, 4], [-0.000359, 3.3385, 4], [0.028408, 13.3486, 5],
                [-0.000364, 2.2478, 5], [0.000309, 1.4396, 5], [-5.3e-05, 0.952, 5]],
         '2s': [[0.35305101, 41.5343, 1], [0.112281, 35.4895, 2], [-0.961528, 19.6037, 2], [0.035906, 51.7121, 3], [-0.083205, 14.299, 3],
                [-0.002322, 7.894, 3], [-0.15426099, 22.5924, 4], [0.008371, 4.9048, 4], [-0.011712, 3.3584, 4], [-0.007705, 13.3807, 5],
                [0.008913, 2.2673, 5], [-0.00798, 1.4539, 5], [0.004026, 0.987, 5]],
         '3s': [[0.14968801, 41.7414, 1], [0.078854, 35.3338, 2], [-0.54163802, 19.4805, 2], [0.014073, 51.3795, 3], [0.22158501, 14.2968, 3],
                [0.82052302, 7.9092, 3], [-0.19558799, 22.7154, 4], [-0.02308, 4.8837, 4], [0.031629, 3.335, 4], [0.188538, 13.3417, 5],
                [-0.01751, 2.2447, 5], [-0.004605, 1.4325, 5], [0.002024, 0.9392, 5]],
         '4s': [[0.057625, 41.7436, 1], [0.031302, 35.3323, 2], [-0.21604501, 19.4788, 2], [0.006257, 51.3714, 3], [0.077996, 14.2958, 3],
                [0.47772801, 7.9008, 3], [-0.079843, 22.7017, 4], [-0.66015899, 4.9414, 4], [-0.524445, 3.3338, 4], [0.073242, 13.3464, 5],
                [-0.008162, 2.2462, 5], [0.004537, 1.4329, 5], [-0.007141, 0.9392, 5]],
         '5s': [[0.014927, 41.7434, 1], [0.008425, 35.3327, 2], [-0.056973, 19.4788, 2], [0.001492, 51.3713, 3], [0.020648, 14.2958, 3],
                [0.13879301, 7.8722, 3], [-0.022023, 22.699, 4], [-0.237547, 4.8843, 4], [-0.11043, 3.3408, 4], [0.017396, 13.3479, 5],
                [0.30544499, 2.2526, 5], [0.55851197, 1.457, 5], [0.28284699, 0.9654, 5]],
         '2p': [[0.069445, 50.2343, 2], [0.388868, 19.6386, 2], [0.14421999, 39.6227, 3], [0.42331299, 16.5499, 3], [-0.26842099, 9.7266, 3],
                [0.253093, 7.2057, 3], [0.14891399, 33.8455, 4], [-0.157305, 4.8876, 4], [0.131613, 3.2656, 4], [-0.055201, 2.1718, 4]],
         '3p': [[-0.002328, 49.4284, 2], [-0.456182, 19.6433, 2], [0.023924, 40.7976, 3], [-0.066468, 16.1916, 3], [0.62932998, 9.5291, 3],
                [0.491023, 7.0739, 3], [0.017022, 32.813, 4], [0.010738, 4.6929, 4], [0.004429, 3.1133, 4], [-0.018977, 2.0121, 4]],
         '4p': [[-0.000627, 49.4285, 2], [-0.161773, 19.6352, 2], [0.009094, 40.7925, 3], [-0.022409, 16.1933, 3], [0.23887099, 9.53, 3], 
                [0.25208101, 7.0611, 3], [0.005275, 32.8187, 4], [-0.507191, 4.6977, 4], [-0.575194, 3.1305, 4], [-0.089939, 2.0055, 4]],
         '3d': [[0.018617, 22.2158, 3], [0.40931299, 12.1366, 3], [0.35798499, 5.7858, 3], [-0.002242, 3.4032, 3], [0.31029701, 9.422, 4], 
                [0.007709, 2.5967, 4], [0.004785, 1.6525, 4], [-0.006476, 1.0606, 4]],
         '4d': [[0.004077, 22.1886, 3], [0.098351, 12.2183, 3], [0.15644599, 5.785, 3], [-0.33578101, 3.4014, 3], [0.064804, 9.3961, 4],
                [-0.387842, 2.5982, 4], [-0.37524799, 1.6479, 4], [-0.15288199, 1.0491, 4]],
          'Rb core':{'fa':[10.18493 ,1.31452 ,4.27912 ,17.58867],'fb':[10.75088 ,112.98729 ,0.21196 ,1.22771],'fc':3.62223,'Ne':1},        #Rw: 0.031
        '<j0> 4d':{'fa':[0.34978 ,0.73893 ,-0.35951 ,0.27074],'fb':[66.54201 ,22.23465 ,2.46767 ,1.75400],'fc':-0.00060,'Ne':4},           #Rw: 0.112
        '<j2> 4d':{'fa':[0.99977 ,-0.30292 ,-0.70120 ,0.03691],'fb':[4.26286 ,54.18106 ,3.48839 ,0.00232],'fc':-0.03063,'Ne':1},           #Rw: 1.049
        '<j4> 4d':{'fa':[0.02358 ,-0.19976 ,0.22273 ,-0.04976],'fb':[118.02129 ,16.09825 ,2.33986 ,1.04530],'fc':0.00324,'Ne':1}},         #Rw: 0.216
    'Nb+3':{'ZSlater':4.346,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[43.7627,14.7046,18.7389,7.2552,7.2919,8.7498,3.6505,3.3213,2.3384,0.0000,1.5115,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,4,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'Kr core':{'fa':[-3.32181 ,18.21918 ,9.10807 ,13.85651],'fb':[10.77886 ,1.19754 ,0.05538 ,10.77534],'fc':-1.87713,'Ne':1},     #Rw: 0.048
        '<j0> 4d':{'fa':[0.36095 ,0.82830 ,-0.28354 ,0.09622],'fb':[33.20803 ,16.57369 ,3.79953 ,1.14511],'fc':-0.00201,'Ne':2},           #Rw: 0.013
        '<j2> 4d':{'fa':[0.52959 ,-0.43516 ,-0.10971 ,0.07461],'fb':[5.27135 ,28.35811 ,1.74426 ,0.02755],'fc':-0.05890,'Ne':1},           #Rw: 0.256
        '<j4> 4d':{'fa':[0.08172 ,-0.34466 ,0.29224 ,-0.03536],'fb':[38.17722 ,11.15266 ,2.53607 ,0.67694],'fc':0.00605,'Ne':1}},          #Rw: 0.042
    'Mo':{'ZSlater':4.767,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[45.0201,15.1215,19.2657,7.4893,7.5360,9.0903,3.8108,3.4841,2.5449,0.0000,1.5757,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,5,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.073663, 42.7657, 1], [-0.46709099, 36.2114, 2], [0.203633, 19.9253, 2], [0.28130099, 52.4542, 3], [-0.056127, 14.6534, 3],
                [-0.016129, 8.1531, 3], [-0.027945, 23.3238, 4], [0.00176, 5.1176, 4], [-1.9e-05, 3.4938, 4], [0.028164, 13.6859, 5],
                [-0.000439, 2.3587, 5], [0.000454, 1.4927, 5], [-0.000359, 0.9693, 5]], 
         '2s': [[0.35804, 42.403, 1], [0.101639, 36.4481, 2], [-0.95906299, 20.1236, 2], [0.038688, 53.0589, 3], [-0.075213, 14.657, 3],
                [0.000893, 8.2011, 3], [-0.161136, 23.1606, 4], [0.007567, 5.1634, 4], [-0.010907, 3.5332, 4], [-0.011348, 13.7523, 5],
                [0.00805, 2.4011, 5], [-0.006754, 1.5389, 5], [0.003225, 1.0341, 5]], 
         '3s': [[-0.15193699, 42.734, 1], [-0.076614, 36.2159, 2], [0.54800498, 19.9306, 2], [-0.014786, 52.479, 3], [-0.224738, 14.6592, 3],
                [-0.82262897, 8.1982, 3], [0.19467799, 23.3526, 4], [0.028905, 5.1184, 4], [-0.042912, 3.4935, 4], [-0.187135, 13.6594, 5],
                [0.037076, 2.3579, 5], [-0.009914, 1.4898, 5], [-0.010604, 0.9661, 5]],
         '4s': [[0.059787, 42.7427, 1], [0.031079, 36.2095, 2], [-0.223704, 19.9248, 2], [0.006839, 52.4537, 3], [0.076618, 14.6518, 3],
                [0.49941599, 8.1837, 3], [-0.079728, 23.3252, 4], [-0.67325097, 5.1735, 4], [-0.52065802, 3.4947, 4], [0.073957, 13.6851, 5], 
                [-0.009513, 2.359, 5], [0.005262, 1.4902, 5], [-0.005644, 0.9661, 5]], 
         '5s': [[0.015414, 42.7425, 1], [0.008382, 36.2098, 2], [-0.058597, 19.9247, 2], [0.001539, 52.4536, 3], [0.019948, 14.6519, 3],
                [0.14747199, 8.1528, 3], [-0.022342, 23.323, 4], [-0.244422, 5.1172, 4], [-0.107851, 3.4987, 4], [0.015723, 13.6858, 5], 
                [0.31109399, 2.365, 5], [0.55820101, 1.5163, 5], [0.28235599, 0.995, 5]], 
         '2p': [[0.074043, 51.7244, 2], [0.32836699, 20.5, 2], [0.14975099, 41.7023, 3], [0.465637, 16.9059, 3], [-0.312451, 9.96, 3], 
                [0.28314, 7.4073, 3], [0.18238001, 34.9832, 4], [-0.164426, 4.9854, 4], [0.133362, 3.3068, 4], [-0.054288, 2.1647, 4]], 
         '3p': [[-6.8e-05, 51.2734, 2], [-0.472166, 20.4334, 2], [0.031142, 42.4438, 3], [-0.070631, 16.8351, 3], [0.60758197, 9.879, 3], 
                [0.51614797, 7.3842, 3], [0.025408, 34.1826, 4], [0.002286, 4.9235, 4], [0.008146, 3.2699, 4], [-0.008216, 2.1185, 4]], 
         '4p': [[-0.001832, 51.2735, 2], [-0.15277401, 20.4295, 2], [0.006257, 42.4419, 3], [-0.033781, 16.836, 3], [0.24352799, 9.8814, 3], 
                [0.26927599, 7.3784, 3], [0.000305, 34.1849, 4], [-0.52016503, 4.9245, 4], [-0.56903702, 3.2909, 4], [-0.089617, 2.1116, 4]],
         '3d': [[0.018023, 22.908, 3], [0.408209, 12.594, 3], [0.353917, 6.0349, 3], [-0.013679, 3.6133, 3], [0.31851301, 9.7915, 4],
                [0.032538, 2.7888, 4], [-0.043181, 1.7736, 4], [0.025939, 1.1349, 4]], 
         '4d': [[0.004114, 22.9007, 3], [0.105945, 12.656, 3], [0.17082299, 6.0512, 3], [-0.381017, 3.5542, 3], [0.071353, 9.7503, 4],
                [-0.40889299, 2.7024, 4], [-0.34154001, 1.7283, 4], [-0.121136, 1.1315, 4]],
         'Rb core':{'fa':[1.30177 ,10.32219 ,18.22240 ,5.39309],'fb':[106.40783 ,9.69655 ,1.09796 ,0.09213],'fc':1.74967,'Ne':1},         #Rw: 0.043
        '<j0> 4d':{'fa':[0.33221 ,0.76708 ,-0.52927 ,0.43009],'fb':[55.35317 ,18.77570 ,2.13176 ,1.66268],'fc':-0.00067,'Ne':6},           #Rw: 0.094
        '<j2> 4d':{'fa':[1.11529 ,-0.31225 ,-0.80927 ,0.02862],'fb':[3.57147 ,43.60743 ,2.94435 ,0.01093],'fc':-0.02047,'Ne':1},           #Rw: 1.038
        '<j4> 4d':{'fa':[0.02482 ,-0.21078 ,0.29679 ,-0.11407],'fb':[93.27345 ,12.91551 ,1.89330 ,1.16370],'fc':0.00327,'Ne':1}},          #Rw: 0.202
    'Mo+3':{'ZSlater':4.767,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[45.0201,15.1215,19.2657,7.4893,7.5360,9.0903,3.8108,3.4841,2.5449,0.0000,1.5757,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,5,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'Kr core':{'fa':[9.89516 ,10.35370 ,0.00000 ,10.78401],'fb':[0.65408 ,9.93974 ,0.00000 ,1.40891],'fc':4.95552,'Ne':1},         #Rw: 0.042
        '<j0> 4d':{'fa':[0.32111 ,0.86534 ,-0.30173 ,0.11710],'fb':[30.59024 ,14.82659 ,3.19894 ,1.10904],'fc':-0.00201,'Ne':3},           #Rw: 0.083
        '<j2> 4d':{'fa':[0.57032 ,-0.42927 ,-0.15492 ,0.20560],'fb':[4.38753 ,25.11658 ,1.83927 ,0.00622],'fc':-0.19126,'Ne':1},           #Rw: 0.290
        '<j4> 4d':{'fa':[0.07591 ,-0.34178 ,0.30301 ,-0.04340],'fb':[34.81499 ,9.57759 ,2.20131 ,0.66738],'fc':0.00627,'Ne':1}},           #Rw: 0.189
    'Mo+5':{'ZSlater':4.767,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[45.0201,15.1215,19.2657,7.4893,7.5360,9.0903,3.8108,3.4841,2.5449,0.0000,1.5757,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,5,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'Kr core':{'fa':[0.27242 ,10.77885 ,9.81111 ,18.25542],'fb':[21.73286 ,8.80373 ,0.03448 ,1.04877],'fc':-3.11772,'Ne':1},       #Rw: 0.025
        '<j0> 4d':{'fa':[0.94374 ,0.33901 ,-0.40803 ,0.12820],'fb':[12.18465 ,21.77254 ,3.44702 ,1.02709],'fc':-0.00294,'Ne':1},           #Rw: 0.006
        '<j2> 4d':{'fa':[0.67729 ,-0.52343 ,-0.17396 ,0.06870],'fb':[4.25929 ,18.28697 ,1.65078 ,0.03425],'fc':-0.04832,'Ne':1},           #Rw: 0.186
        '<j4> 4d':{'fa':[0.11981 ,-0.46149 ,0.37992 ,-0.04687],'fb':[22.86284 ,7.71560 ,2.21793 ,0.57735],'fc':0.00861,'Ne':1}},           #Rw: 0.043
    'Tc':{'ZSlater':5.004,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[46.2924,15.5408,19.7944,7.7247,7.7809,9.4293,3.9769,3.6574,2.8234,0.0000,1.6993,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,5,0,], [2,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.07881403, 43.8137, 1], [-0.499374, 37.081, 2], [0.183112, 20.5485, 2], [0.308799, 53.9251, 3], [-0.011808, 15.1961, 3],
                [-0.000854, 8.4544, 3], [-0.015487, 24.0325, 4], [0.000213, 5.3525, 4], [0.000261, 3.6823, 4], [0.000997, 14.1189, 5],
                [0.000169, 2.415, 5], [-0.00044, 1.5326, 5], [0.00021, 0.9998, 5]],
         '2s': [[0.36051601, 43.4665, 1], [0.09789, 37.2727, 2], [-0.95362699, 20.7128, 2], [0.039838, 54.4749, 3], [-0.076926, 15.1993, 3],
                [0.001642, 8.4887, 3], [-0.16439401, 23.8849, 4], [0.008273, 5.3909, 4], [-0.01156, 3.717, 4], [-0.012449, 14.1836, 5],
                [0.009443, 2.4443, 5], [-0.00916, 1.5608, 5], [0.004604, 1.0639, 5]],
         '3s': [[-0.15408801, 43.7573, 1], [-0.075153, 37.0844, 2], [0.548105, 20.5505, 2], [-0.015833, 53.9326, 3], [-0.21705399, 15.1959, 3],
                [-0.828219, 8.4893, 3], [0.198102, 24.0488, 4], [0.026846, 5.3507, 4], [-0.038067, 3.6768, 4], [-0.188684, 14.1118, 5],
                [0.025565, 2.4104, 5], [-0.000261, 1.528, 5], [-0.005555, 0.9884, 5]],
         '4s': [[0.06249, 43.7614, 1], [0.031301, 37.0817, 2], [-0.230361, 20.5474, 2], [0.007611, 53.9182, 3], [0.070794, 15.1932, 3], 
                [0.52510399, 8.4826, 3], [-0.081909, 24.032, 4], [-0.688353, 5.3997, 4], [-0.52041698, 3.6876, 4], [0.077452, 14.1217, 5],
                [-0.002705, 2.4119, 5], [0.01988, 1.5281, 5], [0.004851, 0.9884, 5]],
         '5s': [[0.014778, 43.7613, 1], [0.007787, 37.0818, 2], [-0.053891, 20.5473, 2], [0.001135, 53.9182, 3], [0.016894, 15.1937, 3],
                [0.145578, 8.4507, 3], [-0.022722, 24.0307, 4], [-0.23171601, 5.3542, 4], [-0.085511, 3.682, 4], [0.009361, 14.1205, 5],
                [0.33111599, 2.4233, 5], [0.54742801, 1.5462, 5], [0.27425101, 1.008, 5]],
         '2p': [[0.075889, 53.7798, 2], [0.30288699, 21.0695, 2], [0.15712801, 42.6569, 3], [0.498891, 17.7074, 3], [-0.36700699, 10.3188, 3], 
                [0.35444501, 7.7288, 3], [0.17380901, 36.5065, 4], [-0.21496101, 5.3518, 4], [0.169972, 3.5954, 4], [-0.068459, 2.3741, 4]],
         '3p': [[-0.007368, 52.9829, 2], [-0.40352601, 21.0621, 2], [0.011291, 43.8664, 3], [-0.106489, 17.3606, 3], [0.66617, 10.1255, 3],
                [0.45981601, 7.6337, 3], [-0.00426, 35.321, 4], [0.025726, 5.1801, 4], [-0.004819, 3.4527, 4], [-0.017694, 2.2242, 4]],
         '4p': [[-0.002817, 52.982, 2], [-0.149894, 21.0517, 2], [0.00422, 43.8595, 3], [-0.039963, 17.3639, 3], [0.26267099, 10.1173, 3],
                [0.274818, 7.6196, 3], [-0.003368, 35.3252, 4], [-0.52370697, 5.1802, 4], [-0.58349103, 3.4816, 4], [-0.077408, 2.214, 4]],
         '3d': [[0.020984, 52.953, 3], [-0.34958601, 21.0033, 3], [-0.018108, 43.8577, 3], [0.601013, 17.1576, 3], [0.55007201, 10.7916, 4],
                [0.18555599, 7.5843, 4], [0.074217, 35.2256, 4], [0.070122, 5.4907, 4]],
         '4d': [[-0.203529, 52.7955, 3], [1.69602394, 20.7401, 3], [0.234202, 43.7338, 3], [-1.52175701, 16.3873, 3], [0.32691199, 11.422, 4],
                [-0.54707301, 3.8632, 4], [-0.624062, 34.5506, 4], [-0.56651199, 2.0758, 4]],
         'Sr core':{'fa':[18.13442 ,10.31905 ,4.05655 ,2.44916],'fb':[1.00990 ,8.52790 ,0.12237 ,91.07299],'fc':3.02725,'Ne':1},          #Rw: 0.033
        '<j0> 4d':{'fa':[0.30746 ,0.82646 ,-0.33504 ,0.20191],'fb':[39.50347 ,14.98713 ,2.31116 ,1.28381],'fc':-0.00110,'Ne':5},           #Rw: 0.053
        '<j2> 4d':{'fa':[1.91699 ,-0.34886 ,-1.99249 ,0.41698],'fb':[2.86231 ,30.48853 ,2.39647 ,1.97408],'fc':0.00877,'Ne':1},            #Rw: 0.788
        '<j4> 4d':{'fa':[0.03629 ,0.27976 ,-0.06126 ,-0.25959],'fb':[54.13258 ,1.85956 ,0.79118 ,9.44381],'fc':0.00478,'Ne':1}},           #Rw: 0.076
    'Ru':{'ZSlater':5.533,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[47.5804,15.9629,20.3257,7.9611,8.0262,9.7662,4.1262,3.8008,2.9201,0.0000,1.6894,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,7,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.08556902, 44.8205, 1], [-0.52902198, 37.9454, 2], [0.18396799, 21.104, 2], [0.327894, 55.1801, 3], [-0.012893, 15.7134, 3],
                [-0.00013, 8.7404, 3], [-0.005855, 24.7, 4], [3.8e-05, 5.5772, 4], [0.000329, 3.8002, 4], [0.000209, 14.5098, 5], 
                [0.000211, 2.5197, 5], [-0.000585, 1.5588, 5], [0.000451, 0.9981, 5]], 
         '2s': [[0.35989499, 44.7691, 1], [0.101635, 37.9459, 2], [-0.96795499, 21.107, 2], [0.04003, 55.1748, 3], [-0.095719, 15.7108, 3], 
                [-0.005639, 8.7354, 3], [-0.133687, 24.6967, 4], [0.001874, 5.5734, 4], [0.0012, 3.7942, 4], [-0.000417, 14.5128, 5],
                [0.000565, 2.5157, 5], [-0.00112, 1.5535, 5], [0.000743, 0.9867, 5]], 
         '3s': [[-0.156293, 44.7682, 1], [-0.07361, 37.9466, 2], [0.55215299, 21.1037, 2], [-0.016911, 55.1704, 3], [-0.21730199, 15.7066, 3],
                [-0.82040697, 8.7742, 3], [0.199664, 24.7035, 4], [0.015125, 5.5744, 4], [-0.020463, 3.7946, 4], [-0.197027, 14.5249, 5],
                [0.001163, 2.5156, 5], [0.003169, 1.5531, 5], [0.000777, 0.9861, 5]], 
         '4s': [[0.063687, 44.7677, 1], [0.030666, 37.9472, 2], [-0.232464, 21.1033, 2], [0.008054, 55.1696, 3], [0.06596, 15.7095, 3],
                [0.53934801, 8.774, 3], [-0.082369, 24.6987, 4], [-0.69630301, 5.625, 4], [-0.51199597, 3.8066, 4], [0.076936, 14.5147, 5],
                [-0.013564, 2.5176, 5], [0.004834, 1.5535, 5], [-0.001017, 0.9861, 5]], 
         '5s': [[-0.015453, 44.7676, 1], [-0.007635, 37.9473, 2], [0.057262, 21.1032, 2], [-0.001944, 55.1696, 3], [-0.013737, 15.71, 3],
                [-0.155293, 8.7378, 3], [0.020875, 24.6979, 4], [0.244321, 5.5753, 4], [0.09022, 3.8, 4], [-0.012785, 14.5126, 5],
                [-0.30540699, 2.5219, 5], [-0.55106002, 1.582, 5], [-0.29976499, 1.0179, 5]], 
         '2p': [[0.034152, 55.3644, 2], [0.69731498, 21.7595, 2], [0.032949, 45.6857, 3], [0.22178, 17.9326, 3], [0.064007, 10.4318, 3],
                [-0.07445, 7.9121, 3], [0.060397, 36.7022, 4], [0.036095, 5.4138, 4], [0.005832, 3.5978, 4], [-0.025042, 2.3298, 4]], 
         '3p': [[-0.004195, 55.3565, 2], [-0.43468201, 21.7334, 2], [0.020735, 45.6923, 3], [-0.096814, 17.9511, 3], [0.64269501, 10.4332, 3],
                [0.484916, 7.933, 3], [0.009292, 36.6908, 4], [0.007131, 5.4133, 4], [0.013826, 3.5965, 4], [-0.018519, 2.3286, 4]], 
         '4p': [[0.000747, 55.3564, 2], [-0.18685, 21.7271, 2], [0.014324, 45.6887, 3], [-0.027902, 17.9532, 3], [0.24475101, 10.4306, 3],
                [0.305893, 7.9237, 3], [0.012153, 36.694, 4], [-0.54317802, 5.4293, 4], [-0.57296598, 3.6003, 4], [-0.082432, 2.3277, 4]], 
         '3d': [[0.017465, 24.1715, 3], [0.41633499, 13.4341, 3], [0.28682399, 6.5041, 3], [0.018947, 4.0439, 3], [0.35866699, 10.3975, 4],
                [-0.004267, 2.9873, 4], [-0.005661, 1.8815, 4], [-0.001855, 1.2184, 4]], 
         '4d': [[0.004699, 24.1689, 3], [0.119397, 13.4496, 3], [0.206295, 6.5039, 3], [-0.44087699, 4.0443, 3], [0.082948, 10.3861, 4],
                [-0.44124201, 2.9901, 4], [-0.31222901, 1.8736, 4], [-0.093557, 1.2187, 4]],
         'Rb core':{'fa':[1.23577 ,10.23950 ,8.99745 ,11.48126],'fb':[100.47678 ,8.31580 ,1.23826 ,0.64283],'fc':5.03618,'Ne':1},         #Rw: 0.030
        '<j0> 4d':{'fa':[0.31334 ,0.80371 ,-0.77729 ,0.66060],'fb':[40.94447 ,14.13002 ,1.72582 ,1.42249],'fc':-0.00087,'Ne':7},           #Rw: 0.082
        '<j2> 4d':{'fa':[-0.22925 ,-0.51954 ,0.02707 ,0.71796],'fb':[9.14909 ,1.13862 ,63.44101 ,1.34044],'fc':0.00375,'Ne':1},            #Rw: 0.147
        '<j4> 4d':{'fa':[0.02707 ,-0.22924 ,0.72309 ,-0.52467],'fb':[63.44022 ,9.14919 ,1.33965 ,1.13953],'fc':0.00375,'Ne':1}},           #Rw: 0.147
    'Ru+3':{'ZSlater':5.533,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[47.5804,15.9629,20.3257,7.9611,8.0262,9.7662,4.1262,3.8008,2.9201,0.0000,1.6894,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,7,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[25.41601 ,10.97441 ,0.00000 ,-5.81630],'fb':[0.85661 ,8.02549 ,0.00000 ,0.85591],'fc':5.40482,'Ne':1},        #Rw: 0.083
        '<j0> 4d':{'fa':[0.37746 ,0.82643 ,-0.34038 ,0.13869],'fb':[23.53439 ,11.22261 ,2.59079 ,0.95948],'fc':-0.00232,'Ne':5},           #Rw: 0.052
        '<j2> 4d':{'fa':[1.26297 ,-0.41942 ,-0.85367 ,0.20426],'fb':[2.85701 ,20.28916 ,2.26308 ,-0.00105],'fc':-0.19363,'Ne':1},          #Rw: 0.332
        '<j4> 4d':{'fa':[0.07023 ,-0.34099 ,0.32144 ,-0.05763],'fb':[28.47762 ,7.41038 ,1.72516 ,0.60194],'fc':0.00694,'Ne':1}},           #Rw: 0.065
    'Ru+4':{'ZSlater':5.533,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[47.5804,15.9629,20.3257,7.9611,8.0262,9.7662,4.1262,3.8008,2.9201,0.0000,1.6894,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,7,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[10.67854 ,0.39090 ,23.00931 ,18.66884],'fb':[7.57423 ,19.03339 ,0.00898 ,0.89361],'fc':-16.74699,'Ne':1},     #Rw: 0.010
        '<j0> 4d':{'fa':[0.88671 ,0.35347 ,-0.37677 ,0.13948],'fb':[10.56524 ,20.66751 ,2.68658 ,0.91186],'fc':-0.00293,'Ne':4},           #Rw: 0.015
        '<j2> 4d':{'fa':[0.77219 ,-0.46079 ,-0.32545 ,0.12235],'fb':[3.13905 ,17.49738 ,1.81472 ,0.00379],'fc':-0.10795,'Ne':1},           #Rw: 0.247
        '<j4> 4d':{'fa':[0.08422 ,-0.39061 ,0.35456 ,-0.05595],'fb':[24.13731 ,6.66592 ,1.76237 ,0.56117],'fc':0.00783,'Ne':1}},           #Rw: 0.439
    'Rh':{'ZSlater':5.891,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[48.8844,16.3876,20.8589,8.1988,8.2722,10.1029,4.2821,3.9559,3.0958,0.0000,1.7410,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,8,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.086972, 45.8373, 1], [-0.56184399, 38.8207, 2], [0.233024, 21.7913, 2], [0.33418599, 56.5108, 3], [0.002638, 16.2963, 3], 
                [-0.001371, 9.0506, 3], [-0.046473, 25.4426, 4], [0.000107, 5.791, 4], [0.002048, 3.9335, 4], [-0.005726, 14.9862, 5],
                [-0.000828, 2.5739, 5], [0.000859, 1.5768, 5], [-0.000401, 1.0033, 5]],
         '2s': [[0.37323099, 45.7722, 1], [0.08581, 38.8184, 2], [-0.94052702, 21.7985, 2], [0.047946, 56.5301, 3], [-0.108325, 16.2954, 3],
                [-0.026243, 9.0432, 3], [-0.13521101, 25.4322, 4], [0.006392, 5.7863, 4], [0.00372, 3.9284, 4], [-0.00391, 14.9898, 5], 
                [0.000757, 2.5695, 5], [-0.001189, 1.5706, 5], [0.000575, 0.9907, 5]],
         '3s': [[-0.16824199, 45.7799, 1], [-0.077251, 38.8129, 2], [0.55453497, 21.7918, 2], [-0.011294, 56.5092, 3], [-0.20443501, 16.2946, 3],
                [-0.96841502, 9.1229, 3], [0.23932099, 25.4406, 4], [0.06599, 5.7915, 4], [-0.088309, 3.93, 4], [-0.079947, 15.0022, 5],
                [0.008038, 2.5699, 5], [0.015338, 1.5698, 5], [0.004356, 0.9897, 5]],
         '4s': [[0.073809, 45.7789, 1], [0.031843, 38.8162, 2], [-0.25410599, 21.7902, 2], [0.010148, 56.5088, 3], [0.06002, 16.2939, 3],
                [0.578897, 9.0837, 3], [-0.088582, 25.4428, 4], [-0.71081299, 5.8404, 4], [-0.50498402, 3.9398, 4], [0.083489, 14.9924, 5],
                [-0.011143, 2.5713, 5], [0.002789, 1.5702, 5], [-0.002744, 0.9897, 5]],
         '5s': [[-0.015347, 45.7788, 1], [-0.007243, 38.8162, 2], [0.055731, 21.7902, 2], [-0.002126, 56.5086, 3], [-0.009764, 16.2941, 3], 
                [-0.157676, 9.0459, 3], [0.019914, 25.4412, 4], [0.24416199, 5.7874, 4], [0.078485, 3.934, 4], [-0.011085, 14.9903, 5], 
                [-0.30671701, 2.5762, 5], [-0.54773998, 1.5999, 5], [-0.30263799, 1.0231, 5]],
         '2p': [[0.051863, 57.2153, 2], [0.50362098, 22.4058, 2], [0.084682, 47.0625, 3], [0.32624099, 18.4272, 3], [-0.049155, 10.6733, 3],
                [0.038754, 8.1601, 3], [0.132787, 37.9648, 4], [0.026805, 5.6749, 4], [-0.059015, 3.7677, 4], [0.038015, 2.4503, 4]],
         '3p': [[-0.009427, 57.1605, 2], [-0.400195, 22.349, 2], [0.007906, 47.1465, 3], [-0.123781, 18.4736, 3], [0.682069, 10.6869, 3],
                [0.432693, 8.1812, 3], [-0.01079, 37.8407, 4], [0.035208, 5.6668, 4], [0.020842, 3.7637, 4], [-0.022238, 2.4406, 4]],
         '4p': [[0.000284, 57.1591, 2], [-0.204262, 22.339, 2], [0.014676, 47.1401, 3], [-0.033626, 18.4769, 3], [0.27077401, 10.6713, 3],
                [0.32640299, 8.1685, 3], [0.011957, 37.844, 4], [-0.54996198, 5.689, 4], [-0.57672203, 3.7579, 4], [-0.081154, 2.4424, 4]],
         '3d': [[0.017023, 24.9364, 3], [0.41427699, 13.887, 3], [0.28362101, 6.7897, 3], [0.020669, 4.3808, 3], [0.36049899, 10.7877, 4],
                [-0.004348, 3.2221, 4], [-0.005506, 2.0252, 4], [-0.001126, 1.2974, 4]],
         '4d': [[0.0047, 24.9329, 3], [0.122576, 13.9084, 3], [0.23481201, 6.7904, 3], [-0.44874999, 4.3841, 3], [0.08325, 10.7717, 4], 
                [-0.44834799, 3.2193, 4], [-0.31512699, 2.0227, 4], [-0.097886, 1.2944, 4]],
          'Rb core':{'fa':[0.75746 ,0.96310 ,10.50692 ,19.46251],'fb':[213.55136 ,32.91086 ,6.96452 ,0.79316],'fc':5.33961,'Ne':1},        #Rw: 0.222
        '<j0> 4d':{'fa':[0.36089 ,0.77524 ,-0.50891 ,0.37366],'fb':[33.04851 ,11.89210 ,1.76347 ,1.24109],'fc':-0.00071,'Ne':8},           #Rw: 0.505
        '<j2> 4d':{'fa':[1.16311 ,-0.33019 ,-0.84707 ,0.02409],'fb':[2.41173 ,27.11027 ,1.93108 ,0.07804],'fc':-0.00818,'Ne':1},           #Rw: 1.086
        '<j4> 4d':{'fa':[0.02765 ,-0.23740 ,0.86339 ,-0.65764],'fb':[54.57220 ,7.90166 ,1.20490 ,1.04974],'fc':0.00398,'Ne':1}},           #Rw: 0.140
    'Rh+3':{'ZSlater':5.891,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[48.8844,16.3876,20.8589,8.1988,8.2722,10.1029,4.2821,3.9559,3.0958,0.0000,1.7410,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,8,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[36.29869 ,10.96361 ,0.00000 ,-16.66752],'fb':[0.80435 ,7.44227 ,0.00000 ,0.80424],'fc':5.38661,'Ne':1},       #Rw: 0.073
        '<j0> 4d':{'fa':[0.34328 ,0.85921 ,-0.35529 ,0.15513],'fb':[22.06273 ,10.31661 ,2.29209 ,0.90899],'fc':-0.00240,'Ne':6},           #Rw: 0.015
        '<j2> 4d':{'fa':[1.47559 ,-0.41776 ,-1.06874 ,0.20346],'fb':[2.52074 ,18.38109 ,2.07330 ,-0.00091],'fc':-0.19205,'Ne':1},          #Rw: 0.348
        '<j4> 4d':{'fa':[0.06851 ,-0.33740 ,0.35415 ,-0.09140],'fb':[26.01002 ,6.66928 ,1.47798 ,0.68887],'fc':0.00612,'Ne':1}},           #Rw: 0.055
    'Rh+4':{'ZSlater':5.891,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[48.8844,16.3876,20.8589,8.1988,8.2722,10.1029,4.2821,3.9559,3.0958,0.0000,1.7410,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,8,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[0.57530 ,10.53968 ,13.15019 ,18.79590],'fb':[15.24439 ,6.93579 ,0.01272 ,0.82796],'fc':-7.06085,'Ne':1},      #Rw: 0.012
        '<j0> 4d':{'fa':[0.90191 ,0.33481 ,-0.38897 ,0.15509],'fb':[9.67359 ,19.24608 ,2.37829 ,0.87144],'fc':-0.00288,'Ne':5},            #Rw: 0.010
        '<j2> 4d':{'fa':[1.44894 ,-0.45322 ,-1.00772 ,0.09245],'fb':[2.52058 ,16.08568 ,2.02373 ,-0.00244],'fc':-0.08010,'Ne':1},          #Rw: 0.336
        '<j4> 4d':{'fa':[0.08617 ,-0.38766 ,0.36003 ,-0.06640],'fb':[21.38099 ,6.11743 ,1.55706 ,0.55295],'fc':0.00784,'Ne':1}},           #Rw: 0.049
    'Pd':{'ZSlater':6.372,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[50.2124,16.8157,21.3985,8.4378,8.5189,10.4380,4.4319,4.0995,3.1860,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.09475398, 46.8559, 1], [-0.58874601, 39.7628, 2], [0.230938, 22.2673, 2], [0.35241401, 57.8294, 3], [-0.009956, 17.1785, 3], 
                [-0.002137, 10.4859, 3], [-0.003345, 7.6036, 3], [-0.028092, 26.2314, 4], [0.001665, 7.1177, 4], [0.001155, 4.7078, 4],
                [0.000157, 3.1998, 4]], 
         '2s': [[-0.373357, 46.7981, 1], [-0.078303, 39.7591, 2], [0.93771201, 22.2715, 2], [-0.048755, 57.8348, 3], [0.106767, 17.1697, 3],
                [0.029982, 10.4875, 3], [0.008293, 7.6058, 3], [0.12798101, 26.227, 4], [-0.0058, 7.098, 4], [-0.005951, 4.6933, 4],
                [-0.000999, 3.1887, 4]], 
         '3s': [[-0.17004099, 46.7986, 1], [-0.060206, 39.7601, 2], [0.53670001, 22.2669, 2], [-0.021485, 57.8244, 3], [0.056872, 17.1726, 3],
                [-1.02670598, 10.5269, 3], [-0.16076, 7.6062, 3], [0.156132, 26.2329, 4], [0.009552, 7.0987, 4], [-0.038937, 4.6945, 4],
                [0.006847, 3.1885, 4]], 
         '4s': [[-0.07503, 46.7974, 1], [-0.029307, 39.761, 2], [0.248384, 22.266, 2], [-0.009144, 57.8249, 3], [0.010564, 17.1703, 3], 
                [-0.379269, 10.4977, 3], [-0.58455002, 7.6224, 3], [0.084753, 26.2282, 4], [0.68178999, 7.1223, 4], [0.68912798, 4.6982, 4], 
                [0.119573, 3.1975, 4]], 
         '2p': [[0.047097, 58.841, 2], [0.551489, 23.0708, 2], [0.067127, 48.56, 3], [0.29598999, 18.9973, 3], [0.0175, 10.9174, 3],
                [-0.027762, 8.4017, 3], [0.114904, 39.0999, 4], [0.055355, 5.9209, 4], [-0.068152, 3.9141, 4], [0.041141, 2.5254, 4]],
         '3p': [[-0.01087, 58.8145, 2], [-0.38686901, 23.0265, 2], [0.00527, 48.5956, 3], [-0.134152, 19.0341, 3], [0.71141797, 10.9373, 3],
                [0.40368101, 8.423, 3], [-0.016577, 39.0442, 4], [0.038964, 5.9146, 4], [0.017891, 3.9134, 4], [-0.018099, 2.5179, 4]], 
         '4p': [[-0.000623, 58.8127, 2], [-0.198442, 23.0164, 2], [0.013061, 48.5892, 3], [-0.039201, 19.0377, 3], [0.28330699, 10.9165, 3],
                [0.32742101, 8.4118, 3], [0.008314, 39.0459, 4], [-0.553716, 5.9355, 4], [-0.572676, 3.9116, 4], [-0.091878, 2.5185, 4]],
         '3d': [[0.016749, 25.6339, 3], [0.412328, 14.3079, 3], [0.274887, 7.0413, 3], [0.026598, 4.7075, 3], [0.36125401, 11.1458, 4], 
                [0.006199, 3.3994, 4], [0.007742, 2.0533, 4], [0.004723, 1.2286, 4]], 
         '4d': [[0.004895, 25.6292, 3], [0.129908, 14.3352, 3], [0.25981399, 7.0427, 3], [-0.44610599, 4.7102, 3], [0.089259, 11.125, 4],
                [-0.45014799, 3.3973, 4], [-0.333812, 2.0505, 4], [-0.12289, 1.227, 4]],
          },
    'Pd+2':{'ZSlater':6.372,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[50.2124,16.8157,21.3985,8.4378,8.5189,10.4380,4.4319,4.0995,3.1860,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[22.44144 ,10.68651 ,0.00000 ,-2.61477],'fb':[0.78035 ,7.18645 ,0.00000 ,0.78282],'fc':5.46909,'Ne':1},        #Rw: 0.144
        '<j0> 4d':{'fa':[0.32604 ,0.84116 ,-0.43488 ,0.26867],'fb':[24.09978 ,10.14332 ,1.77984 ,1.03742],'fc':-0.00115,'Ne':8},           #Rw: 0.027
        '<j2> 4d':{'fa':[1.71930 ,-0.38079 ,-1.35063 ,0.58054],'fb':[2.21656 ,19.39859 ,1.89998 ,0.00061],'fc':-0.56753,'Ne':1},           #Rw: 0.548
        '<j4> 4d':{'fa':[0.04941 ,-0.29236 ,0.63763 ,-0.39926],'fb':[30.65761 ,6.48015 ,1.15612 ,0.91261],'fc':0.00456,'Ne':1}},           #Rw: 0.071
    'Pd+4':{'ZSlater':2.464,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[50.2124,16.8157,21.3985,8.4378,8.5189,10.4380,4.4319,4.0995,3.1860,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
            'Kr core':{'fa':[0.25566 ,10.89598 ,9.74814 ,18.28056],'fb':[-0.23683 ,6.95315 ,0.04680 ,0.81155],'fc':-3.17458,'Ne':1},       #Rw: 0.325
        '<j0> 4d':{'fa':[0.90254 ,0.33368 ,-0.40241 ,0.16919],'fb':[8.81735 ,17.75100 ,2.13414 ,0.82404],'fc':-0.00305,'Ne':6},            #Rw: 0.009
        '<j2> 4d':{'fa':[1.69830 ,-0.45080 ,-1.25969 ,0.06269],'fb':[2.25433 ,14.73726 ,1.87946 ,-0.00490],'fc':-0.05010,'Ne':1},          #Rw: 0.262
        '<j4> 4d':{'fa':[0.08296 ,-0.38148 ,0.39690 ,-0.10499],'fb':[19.89036 ,5.56268 ,1.34768 ,0.64368],'fc':0.00660,'Ne':1}},           #Rw: 0.051
    'Ag':{'ZSlater':6.575,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[51.5514,17.2461,21.9362,8.6779,8.7662,10.7715,4.5916,4.2619,3.4325,0.0000,1.8371,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,10,0,], [1,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[1.10477304, 47.9081, 1],[-0.59780103, 40.9823, 2], [0.221229, 22.0055, 2], [0.36449701, 59.2369, 3], [-0.004092, 14.2677, 3], 
                [0.003709, 9.8301, 3], [-0.045243, 26.8893, 4], [-0.000768, 6.1488, 4], [0.001088, 4.1684, 4], [-0.001297, 12.0314, 5], 
                [-0.000627, 2.6683, 5], [0.000356, 1.6078, 5], [-5.6e-05, 1.0057, 5]],
         '2s': [[0.36971399, 47.855, 1], [0.067463, 40.9765, 2], [-0.99614501, 22.008, 2], [0.048225, 59.2358, 3], [-0.19692799, 14.2647, 3],
                [0.204928, 9.8318, 3], [-0.093604, 26.8878, 4], [0.017478, 6.1462, 4], [-0.014223, 4.1637, 4], [-0.113489, 12.0267, 5],
                [0.007876, 2.666, 5], [-0.006457, 1.6007, 5], [0.00341, 0.9972, 5]],
         '3s': [[-0.16307101, 47.8528, 1], [-0.049218, 40.9778, 2], [0.55120802, 22.0077, 2], [-0.024379, 59.2331, 3], [0.150061, 14.2629, 3],
                [-1.56614995, 9.8437, 3], [0.112975, 26.8943, 4], [-0.027256, 6.147, 4], [0.018347, 4.1629, 4], [0.32903799, 12.0375, 5], 
                [0.007684, 2.6653, 5], [0.000695, 1.6001, 5], [-6e-05, 0.9964, 5]],
         '4s': [[0.068771, 47.8515, 1], [0.023171, 40.9787, 2], [-0.242691, 22.0036, 2], [0.009885, 59.2335, 3], [-0.072651, 14.2668, 3], 
                [0.84947997, 9.8565, 3], [-0.058186, 26.8873, 4], [-0.75384098, 6.1919, 4], [-0.46478099, 4.1829, 4], [-0.106218, 12.0154, 5], 
                [-0.018869, 2.6669, 5], [0.0125, 1.6002, 5], [0.004846, 0.9964, 5]],
         '5s': [[0.014853, 47.8514, 1], [0.005987, 40.9787, 2], [-0.054165, 22.0035, 2], [0.00158, 59.2334, 3], [-0.003931, 14.2658, 3], 
                [0.176588, 9.833, 3], [-0.015142, 26.8874, 4], [-0.241739, 6.1456, 4], [-0.052329, 4.1679, 4], [-0.006456, 12.0236, 5],
                [0.30422401, 2.674, 5], [0.54313499, 1.6328, 5], [0.31097499, 1.0311, 5]],
         '2p': [[0.06474, 59.7962, 2], [0.40909901, 23.5221, 2], [0.112962, 49.1029, 3], [0.37819999, 19.3543, 3], [-0.101684, 11.1184, 3],
                [0.04632, 8.6044, 3], [0.17453, 39.9669, 4], [0.037126, 6.2086, 4], [-0.059243, 4.1228, 4], [0.031256, 2.711, 4]],
         '3p': [[-0.006477, 59.6758, 2], [-0.42947301, 23.4514, 2], [0.018693, 49.2883, 3], [-0.101684, 19.4051, 3], [0.72902, 11.1218, 3],
                [0.40105101, 8.6052, 3], [0.001651, 39.6955, 4], [0.001525, 6.1924, 4], [0.022684, 4.0985, 4], [-0.019994, 2.6664, 4]],
         '4p': [[0.003486, 59.6755, 2], [-0.229123, 23.4442, 2], [0.02396, 49.2846, 3], [-0.017776, 19.4075, 3], [0.272585, 11.1173, 3],
                [0.32789999, 8.5981, 3], [0.02533, 39.6983, 4], [-0.56178403, 6.2082, 4], [-0.58025903, 4.0987, 4], [-0.088731, 2.6682, 4]],
         '3d': [[0.015853, 26.5344, 3], [0.407251, 14.8419, 3], [0.28458199, 7.4085, 3], [0.019955, 5.0316, 3], [0.36312601, 11.5967, 4],
                [-0.003554, 3.6742, 4], [-0.009224, 2.3057, 4], [-0.003282, 1.4594, 4]],
         '4d': [[0.004408, 26.5321, 3], [0.122673, 14.8576, 3], [0.28469601, 7.4083, 3], [-0.46182001, 5.0363, 3], [0.079357, 11.5836, 4], 
                [-0.46047699, 3.6698, 4], [-0.32396799, 2.3053, 4], [-0.100179, 1.456, 4]]
          },
    'Cd':{'ZSlater':3.952,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[52.9087,17.6795,22.4764,8.9194,9.0141,11.1071,4.7533,4.4263,3.6677,0.0000,1.9762,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[-1.112064, 48.9174, 1], [0.62779897, 41.8734, 2], [-0.23047701, 22.481, 2], [-0.381349, 60.4921, 3], [0.005948, 14.3028, 3],
                [-0.003017, 10.1191, 3], [0.046241, 27.5584, 4], [0.000752, 6.4039, 4], [5.2e-05, 4.3838, 4], [-0.00015, 12.3363, 5], 
                [-8.2e-05, 2.8314, 5], [-3.6e-05, 1.7518, 5], [0.000162, 1.1119, 5]], 
         '2s': [[0.373238, 48.8627, 1], [0.059469, 41.8676, 2], [-0.99684697, 22.4835, 2], [0.050546, 60.4914, 3], [-0.226952, 14.2988, 3],
                [0.25495201, 10.1201, 3], [-0.091285, 27.5563, 4], [0.01852, 6.4017, 4], [-0.01493, 4.3779, 4], [-0.134461, 12.3331, 5], 
                [0.008473, 2.8253, 5], [-0.007006, 1.7475, 5], [0.003546, 1.1006, 5]], 
         '3s': [[-0.16534699, 48.8606, 1], [-0.04536, 41.869, 2], [0.55574697, 22.4834, 2], [-0.026532, 60.4876, 3], [0.199045, 14.2963, 3],
                [-1.63979006, 10.1361, 3], [0.1074, 27.5624, 4], [-0.033156, 6.4021, 4], [0.019377, 4.3775, 4], [0.362762, 12.3434, 5],
                [0.013939, 2.8248, 5], [0.001973, 1.7468, 5], [2.1e-05, 1.0996, 5]], 
         '4s': [[0.071277, 48.8594, 1], [0.021823, 41.8698, 2], [-0.249798, 22.4791, 2], [0.011008, 60.4881, 3], [-0.097124, 14.3015, 3],
                [0.90703797, 10.1464, 3], [-0.057837, 27.5563, 4], [-0.75404602, 6.4457, 4], [-0.47971001, 4.4017, 4], [-0.120229, 12.3203, 5], 
                [-0.008426, 2.8259, 5], [0.024172, 1.7469, 5], [0.009819, 1.0996, 5]], 
         '5s': [[0.016041, 48.8593, 1], [0.004874, 41.8698, 2], [-0.056875, 22.479, 2], [0.002731, 60.488, 3], [-0.018769, 14.3001, 3],
                [0.205256, 10.1209, 3], [-0.012994, 27.5563, 4], [-0.247584, 6.4007, 4], [-0.057434, 4.3848, 4], [-0.016855, 12.3302, 5], 
                [0.34128401, 2.8444, 5], [0.545093, 1.7711, 5], [0.272156, 1.1264, 5]],
         '2p': [[0.058284, 61.3259, 2], [0.46388501, 24.4549, 2], [0.08701, 50.9535, 3], [0.350106, 20.089, 3], [-0.004641, 11.445, 3],
                [-0.054458, 8.8979, 3], [0.151089, 41.3998, 4], [0.082713, 6.4532, 4], [-0.080116, 4.2894, 4], [0.036822, 2.8056, 4]], 
         '3p': [[-0.010461, 61.27, 2], [-0.38343799, 24.3954, 2], [0.009753, 51.0261, 3], [-0.13584299, 20.1383, 3], [0.74792498, 11.4576, 3],
                [0.38622901, 8.9096, 3], [-0.014783, 41.2709, 4], [0.009104, 6.4433, 4], [0.027342, 4.2746, 4], [-0.034769, 2.7727, 4]], 
         '4p': [[-0.003152, 61.2693, 2], [-0.164607, 24.3885, 2], [0.006554, 51.0224, 3], [-0.053459, 20.1411, 3], [0.29971299, 11.4477, 3],
                [0.323612, 8.9038, 3], [-0.002815, 41.2719, 4], [-0.555381, 6.4644, 4], [-0.59987801, 4.2813, 4], [-0.07526, 2.7706, 4]], 
         '3d': [[0.016333, 27.1236, 3], [0.41378501, 15.2042, 3], [0.26204699, 7.5657, 3], [0.022138, 5.7573, 3], [0.37500101, 11.908, 4],
                [-0.001753, 4.0763, 4], [-0.011016, 2.6005, 4], [0.000101, 1.6782, 4]], 
         '4d': [[0.004828, 27.119, 3], [0.129951, 15.2322, 3], [0.39886901, 7.5644, 3], [-0.516146, 5.7657, 3], [0.079276, 11.8849, 4],
                [-0.49153799, 4.0726, 4], [-0.33702499, 2.5976, 4], [-0.091185, 1.6764, 4]],
          },
    'In':{'ZSlater':3.937,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[54.2850,18.1161,23.0185,9.1622,9.2629,11.4400,4.9165,4.5929,3.9007,0.0000,2.1492,1.6072,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,1,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[-1.12141502, 49.9107, 1], [0.66213, 42.7337, 2], [-0.19007, 23.3267, 2], [-0.416215, 61.6048, 3], [0.016795, 15.4136, 3],
                [0.00775, 10.5019, 3], [-0.013832, 28.3624, 4], [0.004624, 6.6373, 4], [-0.003388, 4.5993, 4], [-0.010272, 12.8878, 5],
                [0.002046, 2.999, 5], [-0.001853, 1.9247, 5], [0.000978, 1.254, 5]],
         '2s': [[0.37701899, 49.8453, 1], [0.046812, 42.7429, 2], [-0.98669302, 23.2945, 2], [0.066006, 61.6099, 3], [-0.55011398, 15.5186, 3],
                [0.63485402, 10.6114, 3], [-0.001273, 28.3343, 4], [-0.033156, 6.6988, 4], [0.028778, 4.6537, 4], [-0.273278, 12.696, 5],
                [-0.019519, 3.0509, 5], [0.017645, 1.961, 5], [-0.008694, 1.2809, 5]],
         '3s': [[-0.165159, 49.8575, 1], [-0.044721, 42.7388, 2], [0.54152, 23.3285, 2], [-0.026272, 61.5832, 3], [0.19631501, 15.4085, 3],
                [-1.60525703, 10.5204, 3], [0.115264, 28.3652, 4], [-0.021912, 6.6353, 4], [0.014689, 4.5947, 4], [0.328742, 12.8874, 5],
                [0.008311, 2.9947, 5], [0.00172, 1.9172, 5], [0.000115, 1.2425, 5]],
         '4s': [[0.070914, 49.8563, 1], [0.021293, 42.7396, 2], [-0.242851, 23.3252, 2], [0.011153, 61.5835, 3], [-0.098397, 15.412, 3], 
                [0.89134198, 10.5353, 3], [-0.060347, 28.3596, 4], [-0.74379998, 6.6904, 4], [-0.48632601, 4.6179, 4], [-0.10021, 12.8697, 5], 
                [-0.019855, 2.9968, 5], [0.013448, 1.9179, 5], [0.006003, 1.2426, 5]],
         '5s': [[0.019656, 49.8562, 1], [0.006442, 42.7396, 2], [-0.067905, 23.3252, 2], [0.002563, 61.5834, 3], [-0.015083, 15.4102, 3],
                [0.240678, 10.5057, 3], [-0.020337, 28.3599, 4], [-0.29840401, 6.6353, 4], [-0.08729, 4.6046, 4], [-0.011504, 12.8798, 5], 
                [0.380721, 3.0181, 5], [0.54822701, 1.9368, 5], [0.22148401, 1.2652, 5]],
         '2p': [[0.117739, 50.4573, 2], [0.57481098, 19.8921, 2], [0.16790999, 41.9716, 3], [-0.122956, 12.3583, 3], [-0.154974, 8.9684, 3],
                [0.21821301, 34.9165, 4], [0.144435, 6.0734, 4], [-0.108987, 4.0378, 4], [0.225016, 18.8517, 5], [0.056946, 2.5353, 5], 
                [-0.021755, 1.5508, 5], [-0.003246, 0.9804, 5]],
         '3p': [[0.025235, 50.3618, 2], [0.55579603, 19.8975, 2], [0.001345, 42.1272, 3], [-0.96616203, 12.3769, 3], [-0.42699999, 8.9754, 3],
                [0.020452, 34.7385, 4], [0.026976, 6.0605, 4], [-0.034716, 4.0233, 4], [0.17369799, 18.784, 5], [-0.001126, 2.52, 5],
                [0.002036, 1.5365, 5], [0.000525, 0.9534, 5]],
         '4p': [[0.010387, 50.3598, 2], [-0.434351, 19.8873, 2], [0.056191, 42.1292, 3], [0.73319203, 12.3767, 3], [0.128548, 8.9635, 3], 
                [0.063506, 34.7349, 4], [-0.695467, 6.0858, 4], [-0.464091, 4.0231, 4], [-0.191451, 18.7784, 5], [-0.016452, 2.5205, 5],
                [0.005676, 1.5365, 5], [0.000844, 0.9534, 5]],
         '5p': [[0.000647, 50.3601, 2], [0.075726, 19.884, 2], [-0.008993, 42.1273, 3], [-0.150769, 12.3729, 3], [-0.023759, 8.959, 3],
                [-0.006657, 34.7383, 4], [0.196537, 6.0583, 4], [0.043764, 4.0268, 4], [0.036916, 18.7749, 5], [-0.29474199, 2.5353, 5], 
                [-0.54080802, 1.552, 5], [-0.32055801, 0.9683, 5]],
         '3d': [[0.015782, 27.9361, 3], [0.39986199, 15.7299, 3], [0.16772, 8.4271, 3], [0.143838, 7.3876, 3], [0.353403, 12.396, 4],
                [0.010429, 4.7209, 4], [-0.013507, 3.005, 4], [0.001594, 1.9244, 4]],
         '4d': [[-0.005313, 27.9292, 3], [-0.102207, 15.7689, 3], [-0.99546301, 8.4246, 3], [0.856134, 7.4037, 3], [0.03477, 12.3634, 4], 
                [0.52308702, 4.71, 4], [0.39554101, 3.0078, 4], [0.094898, 1.9201, 4]],
          },
    'Sn':{'ZSlater':4.109,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[55.6809,18.5559,23.5635,9.4065,9.5124,11.7747,5.0819,4.7616,4.1239,0.0000,2.3061,1.8026,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,2,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[-1.12740505, 50.9448, 1], [0.69851702, 43.6516, 2], [-0.24496301, 23.7619, 2], [-0.42171299, 63.198, 3], [0.020258, 15.3025, 3],
                [0.003796, 10.783, 3], [0.027897, 29.009, 4], [0.002912, 6.929, 4], [-0.000971, 4.8522, 4], [-0.008316, 13.1628, 5], 
                [-0.000327, 3.1756, 5], [0.000163, 2.085, 5], [0.000449, 1.3899, 5]], 
         '2s': [[0.38266101, 50.8842, 1], [0.033295, 43.6497, 2], [-0.98045802, 23.7514, 2], [0.066973, 63.1962, 3], [-0.37601399, 15.334, 3],
                [0.39673099, 10.8129, 3], [-0.057378, 28.9967, 4], [-0.075687, 6.9531, 4], [0.057895, 4.8686, 4], [-0.119895, 13.1181, 5],
                [-0.037064, 3.192, 5], [0.034166, 2.0955, 5], [-0.017806, 1.3938, 5]],
         '3s': [[-0.169927, 50.8862, 1], [-0.038794, 43.6511, 2], [0.54900903, 23.764, 2], [-0.029354, 63.184, 3], [0.25135601, 15.2964, 3],
                [-1.692173, 10.8029, 3], [0.110922, 29.012, 4], [-0.033019, 6.9283, 4], [0.01541, 4.8465, 4], [0.37258601, 13.1675, 5], 
                [0.014797, 3.171, 5], [0.003317, 2.0784, 5], [0.000307, 1.3745, 5]],
         '4s': [[0.075071, 50.8849, 1], [0.019728, 43.6518, 2], [-0.25338799, 23.7601, 2], [0.012364, 63.1845, 3], [-0.12187, 15.3019, 3], 
                [0.95347202, 10.8133, 3], [-0.06186, 29.0061, 4], [-0.72743303, 6.9713, 4], [-0.513116, 4.8818, 4], [-0.11544, 13.1468, 5],
                [-0.015975, 3.173, 5], [0.01325, 2.0789, 5], [0.01062, 1.3745, 5]],
         '5s': [[0.02196, 50.8848, 1], [0.005996, 43.6518, 2], [-0.074655, 23.76, 2], [0.003473, 63.1844, 3], [-0.029275, 15.3001, 3],
                [0.28089601, 10.7864, 3], [-0.019835, 29.0062, 4], [-0.308456, 6.9289, 4], [-0.110108, 4.8605, 4], [-0.02072, 13.1563, 5], 
                [0.41095901, 3.2014, 5], [0.54241902, 2.0945, 5], [0.197211, 1.3955, 5]], 
         '2p': [[0.113559, 52.1525, 2], [0.59535301, 20.4382, 2], [0.157821, 43.2795, 3], [-0.136476, 12.5882, 3], [-0.16756301, 9.1906, 3],
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         '3p': [[0.027168, 52.0195, 2], [0.53881001, 20.4552, 2], [0.00554, 43.486, 3], [-0.97444999, 12.6019, 3], [-0.404836, 9.1925, 3],
                [0.029711, 35.8493, 4], [0.03226, 6.313, 4], [-0.043784, 4.2567, 4], [0.16695599, 19.3369, 5], [0.011167, 2.7012, 5],
                [0.007429, 1.7056, 5], [0.001824, 1.0938, 5]],
         '4p': [[0.007324, 52.0163, 2], [-0.41365299, 20.4474, 2], [0.048624, 43.4883, 3], [0.72584403, 12.6123, 3], [0.128892, 9.1769, 3], 
                [0.053691, 35.8437, 4], [-0.68900198, 6.3353, 4], [-0.47397199, 4.2589, 4], [-0.17583799, 19.3212, 5], [-0.017463, 2.7016, 5],
                [0.005575, 1.7056, 5], [0.001693, 1.0938, 5]], 
         '5p': [[0.000328, 52.0165, 2], [0.088894, 20.4438, 2], [-0.010224, 43.4869, 3], [-0.177212, 12.6064, 3], [-0.029128, 9.1728, 3], 
                [-0.007996, 35.8462, 4], [0.224913, 6.3105, 4], [0.063157, 4.2611, 4], [0.042683, 19.3192, 5], [-0.33402801, 2.719, 5],
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                [-0.002371, 4.9311, 4], [-0.010687, 3.1906, 4], [0.018975, 2.0486, 4]],
         '4d': [[-0.005276, 28.8717, 3], [-0.096336, 16.3108, 3], [-0.96503699, 8.8884, 3], [0.79205602, 7.6792, 3], [0.053875, 12.8371, 4],
                [0.54149902, 4.9199, 4], [0.38785499, 3.1915, 4], [0.073512, 2.0462, 4]],
          },
    'Sb':{'ZSlater':4.331,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[57.0973,18.9988,24.1111,9.6523,9.7629,12.1094,5.2490,4.9315,4.3400,0.0000,2.4548,1.9728,],
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                [0.002708, 3.352, 5], [-0.002129, 2.2387, 5], [0.000906, 1.5215, 5]],
         '2s': [[0.38620001, 51.8741, 1], [0.027256, 44.5214, 2], [-0.973616, 24.4513, 2], [0.07246, 64.446, 3], [-0.445315, 16.0727, 3], 
                [0.47493401, 11.2034, 3], [-0.037819, 29.7326, 4], [-0.058084, 7.2378, 4], [0.043938, 5.1337, 4], [-0.17119201, 13.5178, 5],
                [-0.02641, 3.3904, 5], [0.02253, 2.267, 5], [-0.010006, 1.5306, 5]],
         '3s': [[-0.172271, 51.8891, 1], [-0.035967, 44.5205, 2], [0.54332101, 24.4637, 2], [-0.030144, 64.3873, 3], [0.255844, 16.007, 3],
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                [0.015835, 3.3489, 5], [0.003939, 2.2326, 5], [0.000422, 1.5001, 5]],
         '4s': [[0.076954, 51.8878, 1], [0.018835, 44.5213, 2], [-0.25413999, 24.46, 2], [0.012907, 64.3878, 3], [-0.124048, 16.0123, 3], 
                [0.95633799, 11.1659, 3], [-0.064684, 29.7456, 4], [-0.71258098, 7.2361, 4], [-0.529589, 5.134, 4], [-0.103135, 13.6096, 5],
                [-0.021705, 3.351, 5], [0.009963, 2.2339, 5], [0.013539, 1.5004, 5]],
         '5s': [[-0.024366, 51.8877, 1], [-0.006333, 44.5213, 2], [0.080936, 24.46, 2], [-0.003728, 64.3876, 3], [0.031533, 16.0102, 3],
                [-0.30550599, 11.1376, 3], [0.023205, 29.7459, 4], [0.326188, 7.1921, 4], [0.137594, 5.1101, 4], [0.018811, 13.6187, 5], 
                [-0.43550101, 3.3846, 5], [-0.53582001, 2.2475, 5], [-0.18190099, 1.521, 5]],
         '2p': [[0.111221, 53.8163, 2], [0.60235798, 20.9844, 2], [0.151536, 44.6826, 3], [-0.151948, 12.8178, 3], [-0.17194, 9.3787, 3],
                [0.213651, 37.1543, 4], [0.175944, 6.5698, 4], [-0.124985, 4.5078, 4], [0.257296, 19.9519, 5], [0.058571, 2.8965, 5],
                [-0.045746, 1.8738, 5], [0.006145, 1.2659, 5]],
         '3p': [[0.028467, 53.7068, 2], [0.52509302, 20.9976, 2], [0.008655, 44.8524, 3], [-0.97828102, 12.8396, 3], [-0.382799, 9.3807, 3],
                [0.035501, 36.945, 4], [0.030466, 6.5549, 4], [-0.036996, 4.4875, 4], [0.154442, 19.8675, 5], [-0.001903, 2.8845, 5],
                [0.003258, 1.864, 5], [0.0012, 1.2205, 5]],
         '4p': [[0.005036, 53.7046, 2], [-0.39854699, 20.9877, 2], [0.043074, 44.8548, 3], [0.73049599, 12.84, 3], [0.122985, 9.3702, 3], 
                [0.046293, 36.94, 4], [-0.68479103, 6.5783, 4], [-0.48154399, 4.4909, 4], [-0.165573, 19.8612, 5], [-0.017771, 2.8849, 5], 
                [0.005655, 1.8641, 5], [0.002295, 1.2205, 5]],
         '5p': [[-0.0014, 53.7047, 2], [0.10649, 20.9841, 2], [-0.012484, 44.8533, 3], [-0.202428, 12.8335, 3], [-0.034435, 9.3661, 3],
                [-0.012157, 36.9426, 4], [0.239485, 6.5536, 4], [0.091922, 4.4912, 4], [0.04945, 19.8587, 5], [-0.35657501, 2.8974, 5],
                [-0.551355, 1.8668, 5], [-0.23661, 1.222, 5]],
         '3d': [[0.132346, 18.7521, 3], [0.70876002, 11.742, 3], [0.205292, 8.1279, 3], [0.020913, 25.4657, 3], [-0.02722, 14.97, 4],
                [0.035989, 5.6957, 4], [-0.021158, 3.7089, 4], [-0.023041, 2.3638, 4]],
         '4d': [[0.029465, 18.7549, 3], [-0.750539, 11.7267, 3], [0.150867, 8.1291, 3], [-0.007137, 25.4647, 3], [0.277657, 14.9735, 4], 
                [0.50299102, 5.6961, 4], [0.48079899, 3.7025, 4], [0.096138, 2.3638, 4]],
          },
    'Te':{'ZSlater':4.571,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[58.5349,19.4452,24.6615,9.8995,10.0142,12.4458,5.4176,5.1024,4.5506,0.0000,2.5980,2.1289,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,4,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[-1.14411604, 52.9571, 1], [0.77104402, 45.4338, 2], [-0.226015, 24.8619, 2], [-0.476861, 65.6873, 3], [0.03879, 16.0425, 3],
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                [0.003374, 3.4936, 5], [-0.002748, 2.3555, 5], [0.001174, 1.6079, 5]], 
         '2s': [[0.389846, 52.8944, 1], [0.017784, 45.4442, 2], [-0.97673899, 24.8634, 2], [0.073035, 65.6828, 3], [-0.346553, 16.0521, 3],
                [0.35069999, 11.4374, 3], [-0.064276, 30.4439, 4], [-0.064238, 7.4719, 4], [0.045657, 5.3398, 4], [-0.102383, 13.9043, 5],
                [-0.025042, 3.5003, 5], [0.020867, 2.3515, 5], [-0.009139, 1.5985, 5]], 
         '3s': [[-0.174647, 52.9009, 1], [-0.030888, 45.4456, 2], [0.54883802, 24.8655, 2], [-0.03209, 65.6486, 3], [0.30361599, 16.0319, 3], 
                [-1.76055205, 11.4401, 3], [0.110268, 30.4572, 4], [-0.038308, 7.4631, 4], [0.022289, 5.3321, 4], [0.39497399, 13.9451, 5],
                [0.004711, 3.4922, 5], [-0.004894, 2.3444, 5], [-0.003213, 1.5918, 5]], 
         '4s': [[0.07886, 52.8992, 1], [0.016681, 45.4465, 2], [-0.25988901, 24.8601, 2], [0.014133, 65.649, 3], [-0.15728299, 16.0425, 3],
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                [-0.022457, 3.4941, 5], [0.004353, 2.3456, 5], [0.012786, 1.592, 5]], 
         '5s': [[0.026605, 52.8991, 1], [0.006098, 45.4465, 2], [-0.088512, 24.86, 2], [0.00443, 65.6488, 3], [-0.04512, 16.0402, 3],
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                [0.47524801, 3.5317, 5], [0.52668798, 2.3598, 5], [0.153743, 1.6083, 5]], 
         '2p': [[0.109527, 55.5198, 2], [0.60705602, 21.5241, 2], [0.146062, 46.0646, 3], [-0.169999, 13.0417, 3], [-0.173576, 9.562, 3], 
                [0.21680801, 38.2505, 4], [0.18740401, 6.7737, 4], [-0.13046999, 4.7088, 4], [0.27257401, 20.511, 5], [0.051866, 3.055, 5], 
                [-0.017524, 1.9738, 5], [-0.003521, 1.3119, 5]], 
         '3p': [[0.029245, 55.41, 2], [0.51366103, 21.5377, 2], [0.011958, 46.229, 3], [-0.97627902, 13.0806, 3], [-0.35529, 9.5554, 3],
                [0.038274, 38.0431, 4], [0.016076, 6.7579, 4], [-0.018808, 4.694, 4], [0.13393, 20.4066, 5], [-0.008672, 3.0444, 5], 
                [-0.001598, 1.9579, 5], [-0.000188, 1.2735, 5]], 
         '4p': [[0.003624, 55.409, 2], [-0.39227399, 21.5246, 2], [0.040148, 46.2318, 3], [0.75415301, 13.064, 3], [0.10363, 9.5513, 3],
                [0.041678, 38.0394, 4], [-0.68951601, 6.7863, 4], [-0.47724399, 4.6958, 4], [-0.162233, 20.4141, 5], [-0.016935, 3.045, 5],
                [0.005241, 1.958, 5], [0.001676, 1.2735, 5]], 
         '5p': [[-0.000673, 55.4092, 2], [0.111521, 21.5219, 2], [-0.012637, 46.2297, 3], [-0.22717801, 13.0601, 3], [-0.028541, 9.5472, 3], 
                [-0.01095, 38.0427, 4], [0.26344901, 6.7579, 4], [0.096914, 4.6987, 4], [0.052725, 20.4073, 5], [-0.405267, 3.0608, 5], 
                [-0.53804398, 1.9607, 5], [-0.21018399, 1.2764, 5]], 
         '3d': [[0.147617, 19.1472, 3], [0.68714303, 11.9238, 3], [0.194249, 8.288, 3], [0.019272, 26.1141, 3], [-0.004295, 15.2951, 4],
                [0.026508, 5.8289, 4], [-0.012892, 3.8608, 4], [-0.017333, 2.4677, 4]], 
         '4d': [[0.024778, 19.1504, 3], [-0.77398902, 11.9173, 3], [0.186424, 8.291, 3], [-0.007942, 26.1133, 3], [0.26977199, 15.2922, 4],
                [0.522268, 5.8231, 4], [0.46198201, 3.8594, 4], [0.07802, 2.4666, 4]],
          },
    'I':{'ZSlater':4.815,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[59.9945,19.8950,25.2137,10.1482,10.2664,12.7810,5.5873,5.2739,4.7570,0.0000,2.7372,2.2758,],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [2,5,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
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                [0.004032, 3.6923, 5], [-0.003172, 2.5179, 5], [0.001301, 1.7247, 5]],
         '2s': [[0.34815899, 53.9234, 1], [0.18228, 46.3794, 2], [-1.07372403, 25.3273, 2], [-0.009223, 67.1358, 3], [-0.27229199, 16.5265, 3], 
                [0.286477, 11.7406, 3], [-0.036414, 31.2004, 4], [0.000932, 7.7566, 4], [1.3e-05, 5.5962, 4], [-0.135333, 14.3216, 5],
                [-0.000191, 3.6878, 5], [0.000736, 2.5059, 5], [-5.4e-05, 1.7112, 5]],
         '3s': [[0.177146, 53.9247, 1], [0.024769, 46.3771, 2], [-0.550102, 25.3244, 2], [0.03429, 67.1358, 3], [-0.32351699, 16.5256, 3], 
                [1.78261197, 11.766, 3], [-0.105344, 31.2035, 4], [0.036171, 7.7573, 4], [-0.012554, 5.5965, 4], [-0.40244901, 14.3237, 5],
                [-0.01838, 3.6877, 5], [-0.004146, 2.5058, 5], [-3e-06, 1.7111, 5]],
         '4s': [[0.080769, 53.9233, 1], [0.014181, 46.3778, 2], [-0.26304501, 25.3202, 2], [0.015041, 67.1363, 3], [-0.163721, 16.5326, 3], 
                [1.03835702, 11.7761, 3], [-0.061174, 31.1981, 4], [-0.67423201, 7.7972, 4], [-0.57651597, 5.6518, 4], [-0.121234, 14.3027, 5], [-0.023987, 3.6901, 5], [-0.001476, 2.5071, 5], [0.011268, 1.7114, 5]],
         '5s': [[0.035862, 53.9232, 1], [-0.008417, 46.3777, 2], [-0.124501, 25.3199, 2], [0.009002, 67.1357, 3], [0.022972, 16.5299, 3],
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                [0.207976, 39.4238, 4], [0.203311, 7.0059, 4], [-0.15099899, 4.9344, 4], [0.27515301, 21.0914, 5], [0.05925, 3.2642, 5],
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         '3p': [[0.031337, 57.1094, 2], [0.49548799, 22.108, 2], [0.014479, 47.6364, 3], [-0.99640101, 13.2865, 3], [-0.33095601, 9.7169, 3], 
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                [0.001323, 2.1021, 5], [0.001033, 1.3652, 5]],
         '4p': [[0.001328, 57.1079, 2], [-0.373023, 22.0976, 2], [0.033793, 47.6379, 3], [0.74313402, 13.2865, 3], [0.096364, 9.7089, 3],
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         '5p': [[-0.000744, 57.1079, 2], [0.119073, 22.0928, 2], [-0.012916, 47.6376, 3], [-0.25075099, 13.2725, 3], [-0.023291, 9.7066, 3],
                [-0.011479, 39.2032, 4], [0.27588499, 6.9885, 4], [0.117769, 4.9263, 4], [0.054999, 20.9847, 5], [-0.42119801, 3.2678, 5], [-0.534401, 2.1042, 5], [-0.206604, 1.3674, 5]],
         '3d': [[0.16850901, 19.5418, 3], [0.60016, 12.1023, 3], [0.18269201, 8.4832, 3], [0.020709, 26.9298, 3], [0.07097, 15.6239, 4],
                [0.05498, 5.9429, 4], [-0.062849, 3.9828, 4], [0.013499, 2.5322, 4]],
         '4d': [[0.014424, 19.5621, 3], [-0.77022099, 12.0801, 3], [0.222075, 8.5013, 3], [-0.008932, 26.9248, 3], [0.24042, 15.6005, 4], 
                [0.55466998, 5.9171, 4], [0.427773, 3.9924, 4], [0.064253, 2.5268, 4]],
          },
    'Xe':{'ZSlater':4.815,'NSlater':[4,4,6,8,10,12,14,16],'SZE':[61.4771,20.3484,25.7687,10.3985,10.5194,13.1165,5.7581,5.4458,4.9600,0.0000,2.8732,2.4161],
         'popCore':[[2,], [2,6,], [2,6,10,], [2,6,10,0,], [2,6,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         'popVal':[[0,], [0,0,], [0,0,0,], [0,0,0,0,], [0,0,0,0,0,], [0,0,0,0,0,0], [0,0,0,0,0,0,0]],
         '1s': [[-1.16171706, 54.9751, 1], [0.84649903, 47.2282, 2], [-0.228966, 26.0963, 2], [-0.52580601, 68.2402, 3], [0.066167, 16.8327, 3],
                [0.019168, 12.0744, 3], [-0.059603, 31.907, 4], [0.016083, 8.0158, 4], [-0.010288, 5.8478, 4], [-0.033225, 14.7183, 5],
                [0.004619, 3.8624, 5], [-0.003598, 2.644, 5], [0.001454, 1.8275, 5]], 
         '2s': [[0.39772701, 54.8543, 1], [-0.001134, 47.2403, 2], [-0.94584, 26.102, 2], [0.074539, 68.3953, 3], [-0.50350201, 16.8558, 3],
                [0.65107203, 12.077, 3], [-0.076451, 31.8579, 4], [0.029704, 8.0156, 4], [-0.023503, 5.8439, 4], [-0.32999399, 14.6986, 5], 
                [0.010316, 3.8565, 5], [-0.006195, 2.6367, 5], [0.001303, 1.8248, 5]], 
         '3s': [[-0.179509, 54.9195, 1], [-0.021999, 47.2494, 2], [0.54476702, 26.0987, 2], [-0.036063, 68.1769, 3], [0.37497601, 16.8232, 3], 
                [-1.84897602, 12.0996, 3], [0.108746, 31.9093, 4], [-0.037983, 8.0155, 4], [0.014214, 5.8402, 4], [0.42547101, 14.7258, 5], 
                [0.016844, 3.8556, 5], [0.002511, 2.6343, 5], [-0.000803, 1.8124, 5]], 
         '4s': [[0.082662, 54.918, 1], [0.013133, 47.2499, 2], [-0.263293, 26.0944, 2], [0.015994, 68.1773, 3], [-0.19258501, 16.8325, 3],
                [1.08512294, 12.1106, 3], [-0.063353, 31.9029, 4], [-0.66102999, 8.0544, 4], [-0.59176397, 5.9034, 4], [-0.131836, 14.7006, 5],
                [-0.025638, 3.8579, 5], [-0.006498, 2.6361, 5], [0.013328, 1.8128, 5]],
         '5s': [[-0.030638, 54.9179, 1], [-0.005246, 47.25, 2], [0.09834, 26.0942, 2], [-0.005602, 68.1771, 3], [0.064604, 16.83, 3], 
                [-0.41185701, 12.081, 3], [0.026191, 31.903, 4], [0.35839099, 8.0181, 4], [0.21926799, 5.871, 4], [0.032632, 14.7114, 5],
                [-0.50935799, 3.9059, 5], [-0.51836801, 2.648, 5], [-0.141008, 1.8302, 5]], 
         '2p': [[0.10613, 58.8637, 2], [0.62103999, 22.6117, 2], [0.134729, 48.8362, 3], [-0.203557, 13.4863, 3], [-0.16957501, 9.8495, 3],
                [0.21768899, 40.4394, 4], [0.20466501, 7.1953, 4], [-0.13551, 5.1464, 4], [0.29366699, 21.6209, 5], [0.028426, 3.4586, 5],
                [0.019913, 2.2474, 5], [-0.029348, 1.4911, 5]], 
         '3p': [[0.032168, 58.7748, 2], [0.48929, 22.619, 2], [0.015899, 48.9676, 3], [-1.03285301, 13.5021, 3], [-0.29799801, 9.8476, 3],
                [0.053877, 40.2664, 4], [0.043409, 7.1859, 4], [-0.050588, 5.1293, 4], [0.13635001, 21.548, 5], [0.007088, 3.4472, 5], 
                [0.012383, 2.2384, 5], [0.004081, 1.4588, 5]], 
         '4p': [[0.000167, 58.7712, 2], [-0.36997101, 22.6101, 2], [0.032302, 48.9722, 3], [0.77873802, 13.5081, 3], [0.072874, 9.8364, 3], 
                [0.029888, 40.256, 4], [-0.69348198, 7.2141, 4], [-0.47064799, 5.1326, 4], [-0.145079, 21.5389, 5], [-0.021965, 3.4475, 5], 
                [-0.000841, 2.2386, 5], [-0.000408, 1.4588, 5]], 
         '5p': [[-0.00087, 58.7712, 2], [0.128782, 22.6072, 2], [-0.013356, 48.9703, 3], [-0.27712601, 13.5011, 3], [-0.019517, 9.833, 3], 
                [-0.012003, 40.2589, 4], [0.295268, 7.1852, 4], [0.13601001, 5.1345, 4], [0.057587, 21.5325, 5], [-0.43676299, 3.4621, 5],
                [-0.53351903, 2.2393, 5], [-0.198092, 1.4607, 5]], 
         '3d': [[0.185, 19.9627, 3], [0.56606501, 12.2424, 3], [0.170004, 8.6925, 3], [0.019223, 27.7437, 3], [0.104114, 15.9521, 4],
                [0.050135, 6.06, 4], [-0.04702, 4.0993, 4], [-0.006577, 2.5865, 4]], 
         '4d': [[0.002695, 19.9787, 3], [-0.801759, 12.2144, 3], [0.26429799, 8.7, 3], [-0.006653, 27.7398, 3], [0.23758, 15.9408, 4],
                [0.58332402, 6.0578, 4], [0.40301499, 4.0935, 4], [0.046825, 2.586, 4]],
          },
}

#electron form factor coefficients to stl=6.0; those as M+0 are 4 term values from SHELX: match the 5 term ones
ElecFF = {


    'H':    {'Z': 1,'fa':[0.0088, 0.0449, 0.1481, 0.2356, 0.0914],'fb':[0.1152, 1.0867,  4.9755,  16.5591,  43.2743]},
    'H+0':    {'Z': 1,'fa':[0.37540, 0.14080, 0.02160, -0.10120, 0.0],'fb':[15.49460, 4.12610,  0.02460,  46.88400,  0.0]},
    'He':   {'Z': 2,'fa':[0.0084, 0.0443, 0.1314, 0.1671, 0.0666],'fb':[0.0596, 0.5360,  2.4274,   7.7852,  20.3126]},
    'Li':   {'Z': 3,'fa':[0.0478, 0.2048, 0.5253, 1.5225, 0.9853],'fb':[0.2258, 2.1032, 12.9349,  50.7501, 136.6280]},
    'Be':   {'Z': 4,'fa':[0.0423, 0.1874, 0.6019, 1.4311, 0.7891],'fb':[0.1445, 1.4180,  8.1165,  27.9705,  74.8684]},
    'B':    {'Z': 5,'fa':[0.0436, 0.1898, 0.6788, 1.3273, 0.5544],'fb':[0.1207, 1.1595,  6.2474,  21.0460,  59.3619]},
    'C':    {'Z': 6,'fa':[0.0489, 0.2091, 0.7537, 1.1420, 0.3555],'fb':[0.1140, 1.0825,  5.4281,  17.8811,  51.1341]},
    'N':    {'Z': 7,'fa':[0.0267, 0.1328, 0.5301, 1.1020, 0.4215],'fb':[0.0541, 0.5165,  2.8207,  10.6297,  34.3764]},
    'O':    {'Z': 8,'fa':[0.0365, 0.1729, 0.5805, 0.8814, 0.3121],'fb':[0.0652, 0.6184,  2.9449,   9.6298,  28.2194]},
    'C+0':    {'Z': 6,'fa':[0.73070, 1.19510, 0.45630, 0.12470,0.0],'fb':[36.99510, 11.29660,  2.81390,  0.34560,  0.0]},
    'N+0':    {'Z': 7,'fa':[0.57170, 1.04250, 0.46470, 0.13110, 0.0],'fb':[28.84650, 9.05420,  2.42130,  0.31670,  0.0]},
    'O+0':    {'Z': 8,'fa':[0.45480, 0.91730, 0.47190, 0.13840, 0.0],'fb':[23.78030, 7.62200,  2.14400,  0.29590,  0.0]},
    'F':    {'Z': 9,'fa':[0.0382, 0.1822, 0.5972, 0.7707, 0.2130],'fb':[0.0613, 0.5753,  2.6858,   8.8214,  25.6668]},
    'Ne':   {'Z':10,'fa':[0.0380, 0.1785, 0.5494, 0.6942, 0.1918],'fb':[0.0554, 0.5087,  2.2639,   7.3316,  21.6912]},
    'Na':   {'Z':11,'fa':[0.1260, 0.6442, 0.8893, 1.8197, 1.2988],'fb':[0.1684, 1.7150,  8.8386,  50.8265, 147.2073]},
    'Mg':   {'Z':12,'fa':[0.1130, 0.5575, 0.9046, 2.1580, 1.4735],'fb':[0.1356, 1.3579,  6.9255,  32.3165,  92.1138]},
    'Al':   {'Z':13,'fa':[0.1165, 0.5504, 1.0179, 2.6295, 1.5711],'fb':[0.1295, 1.2619,  6.8242,  28.4577,  88.4750]},
    'Si':   {'Z':14,'fa':[0.0567, 0.3365, 0.8104, 2.4960, 2.1186],'fb':[0.0582, 0.6155,  3.2522,  16.7929,  57.6767]},
    'P':    {'Z':15,'fa':[0.1005, 0.4615, 1.0663, 2.5854, 1.2725],'fb':[0.0977, 0.9084,  4.9654,  18.5471,  54.3648]},
    'S':    {'Z':16,'fa':[0.0915, 0.4312, 1.0847, 2.4671, 1.0852],'fb':[0.0838, 0.7788,  4.3462,  15.5846,  44.6365]},
    'Cl':   {'Z':17,'fa':[0.0799, 0.3891, 1.0037, 2.3332, 1.0507],'fb':[0.0694, 0.6443,  3.5351,  12.5058,  35.8633]},
    'Ar':   {'Z':18,'fa':[0.1044, 0.4551, 1.4232, 2.1533, 0.4459],'fb':[0.0853, 0.7701,  4.4684,  14.5864,  41.2474]},
    'K':    {'Z':19,'fa':[0.2149, 0.8703, 2.4999, 2.3591, 3.0318],'fb':[0.1660, 1.6906,  8.7447,  46.7825, 165.6923]},
    'Ca':   {'Z':20,'fa':[0.2355, 0.9916, 2.3959, 3.7252, 2.5647],'fb':[0.1742, 1.8329,  8.8407,  47.4583, 134.9613]},
    'Sc':   {'Z':21,'fa':[0.4636, 2.0802, 2.9003, 1.4193, 2.4323],'fb':[0.3682, 4.0312, 22.6493,  71.8200, 103.3691]},
    'Ti':   {'Z':22,'fa':[0.2123, 0.8960, 2.1765, 3.0436, 2.4439],'fb':[0.1399, 1.4568,  6.7534,  33.1168, 101.8238]},
    'V':    {'Z':23,'fa':[0.2369, 1.0774, 2.1894, 3.0825, 1.7190],'fb':[0.1505, 1.6392,  7.5691,  36.8741, 107.8517]},
    'Cr':   {'Z':24,'fa':[0.1970, 0.8228, 2.0200, 2.1717, 1.7516],'fb':[0.1197, 1.1985,  5.4097,  25.2361,  94.4290]},
    'Mn':   {'Z':25,'fa':[0.1943, 0.8190, 1.9296, 2.4968, 2.0625],'fb':[0.1135, 1.1313,  5.0341,  24.1798,  80.5598]},
    'Fe':   {'Z':26,'fa':[0.1929, 0.8239, 1.8689, 2.3694, 1.9060],'fb':[0.1087, 1.0806,  4.7637,  22.8500,  76.7309]},
    'Co':   {'Z':27,'fa':[0.2186, 0.9861, 1.8540, 2.3258, 1.4685],'fb':[0.1182, 1.2300,  5.4177,  25.7602,  80.8542]},
    'Ni':   {'Z':28,'fa':[0.2313, 1.0657, 1.8229, 2.2609, 1.1883],'fb':[0.1210, 1.2691,  5.6870,  27.0917,  83.0285]},
    'Cu':   {'Z':29,'fa':[0.3501, 1.6558, 1.9582, 0.2134, 1.4109],'fb':[0.1867, 1.9917, 11.3396,  53.2619,  63.2520]},
    'Zn':   {'Z':30,'fa':[0.1780, 0.8096, 1.6744, 1.9499, 1.4495],'fb':[0.0876, 0.8650,  3.8612,  18.8726,  64.7016]},
    'Ga':   {'Z':31,'fa':[0.2135, 0.9768, 1.6669, 2.5662, 1.6790],'fb':[0.1020, 1.0219,  4.6275,  22.8742,  80.1535]},
    'Ge':   {'Z':32,'fa':[0.2135, 0.9761, 1.6555, 2.8938, 1.6356],'fb':[0.0989, 0.9845,  4.5527,  21.5563,  70.3903]},
    'As':   {'Z':33,'fa':[0.2059, 0.9518, 1.6372, 3.0490, 1.4756],'fb':[0.0926, 0.9182,  4.3291,  19.2996,  58.9329]},
    'Se':   {'Z':34,'fa':[0.1574, 0.7614, 1.4834, 3.0016, 1.7978],'fb':[0.0686, 0.6808,  3.1163,  14.3458,  44.0455]},
    'Br':   {'Z':35,'fa':[0.1899, 0.8983, 1.6358, 3.1845, 1.1518],'fb':[0.0810, 0.7957,  3.9054,  15.7701,  45.6124]},
    'Kr':   {'Z':36,'fa':[0.1742, 0.8447, 1.5944, 3.1507, 1.1338],'fb':[0.0723, 0.7123,  3.5192,  13.7724,  39.1148]},
    'Rb':   {'Z':37,'fa':[0.3781, 1.4904, 3.5753, 3.0031, 3.3272],'fb':[0.1557, 1.5347,  9.9947,  51.4251, 185.9828]},
    'Sr':   {'Z':38,'fa':[0.3723, 1.4598, 3.5124, 4.4612, 3.3031],'fb':[0.1480, 1.4643,  9.2320,  49.8807, 148.0937]},
    'Y':    {'Z':39,'fa':[0.3234, 1.2737, 3.2115, 4.0563, 3.7962],'fb':[0.1244, 1.1948,  7.2756,  34.1430, 111.2079]},
    'Zr':   {'Z':40,'fa':[0.2997, 1.1879, 3.1075, 3.9740, 3.5769],'fb':[0.1121, 1.0638,  6.3891,  28.7081,  97.4289]},
    'Nb':   {'Z':41,'fa':[0.1680, 0.9370, 2.7300, 3.8150, 3.0053],'fb':[0.0597, 0.6524,  4.4317,  19.5540,  85.5011]},
    'Mo':   {'Z':42,'fa':[0.3069, 1.1714, 3.2293, 3.4254, 2.1224],'fb':[0.1101, 1.0222,  5.9613,  25.1965,  93.5831]},
    'Tc':   {'Z':43,'fa':[0.2928, 1.1267, 3.1675, 3.6619, 2.5942],'fb':[0.1020, 0.9481,  5.4713,  23.8153,  82.8991]},
    'Ru':   {'Z':44,'fa':[0.2604, 1.0442, 3.0761, 3.2175, 1.9448],'fb':[0.0887, 0.8240,  4.8278,  19.8977,  80.4566]},
    'Rh':   {'Z':45,'fa':[0.2713, 1.0556, 3.1416, 3.0451, 1.7179],'fb':[0.0907, 0.8324,  4.7702,  19.7862,  80.2540]},
    'Pd':   {'Z':46,'fa':[0.2003, 0.8779, 2.6135, 2.8594, 1.0258],'fb':[0.0659, 0.6111,  3.5563,  12.7638,  44.4283]},
    'Ag':   {'Z':47,'fa':[0.2739, 1.0503, 3.1564, 2.7543, 1.4328],'fb':[0.0881, 0.8028,  4.4451,  18.7011,  79.2633]},
    'Cd':   {'Z':48,'fa':[0.3072, 1.1303, 3.2046, 2.9329, 1.6560],'fb':[0.0966, 0.8856,  4.6273,  20.6789,  73.4723]},
    'In':   {'Z':49,'fa':[0.3564, 1.3011, 3.2424, 3.4839, 2.0459],'fb':[0.1091, 1.0452,  5.0900,  24.6578,  88.0513]},
    'Sn':   {'Z':50,'fa':[0.2966, 1.1157, 3.0973, 3.8156, 2.5281],'fb':[0.0896, 0.8268,  4.2242,  20.6900,  71.3399]},
    'Sb':   {'Z':51,'fa':[0.2725, 1.0651, 2.9940, 4.0697, 2.5682],'fb':[0.0809, 0.7488,  3.8710,  18.8800,  60.6499]},
    'Te':   {'Z':52,'fa':[0.2422, 0.9692, 2.8114, 4.1509, 2.8161],'fb':[0.0708, 0.6472,  3.3609,  16.0752,  50.1724]},
    'I':    {'Z':53,'fa':[0.2617, 1.0325, 2.8097, 4.4809, 2.3190],'fb':[0.0749, 0.6914,  3.4634,  16.3603,  48.2522]},
    'Xe':   {'Z':54,'fa':[0.2334, 0.9496, 2.6381, 4.4680, 2.5020],'fb':[0.0655, 0.6050,  3.0389,  14.0809,  41.000]},
    'Cs':   {'Z':55,'fa':[0.5713, 2.4866, 4.9795, 4.0198, 4.4403],'fb':[0.1626, 1.8213, 11.1049,  49.0568, 202.9987]},
    'Ba':   {'Z':56,'fa':[0.5229, 2.2874, 4.7243, 5.0807, 5.6389],'fb':[0.1434, 1.6019,  9.4511,  42.7685, 148.4969]},
    'La':   {'Z':57,'fa':[0.5461, 2.3856, 5.0653, 5.7601, 4.0463],'fb':[0.1479, 1.6552, 10.0059,  47.3245, 145.8464]},
    'Ce':   {'Z':58,'fa':[0.2227, 1.0760, 2.9482, 5.8496, 7.1834],'fb':[0.0571, 0.5946,  3.2022,  16.4253,  95.7030]},
    'Pr':   {'Z':59,'fa':[0.5237, 2.2913, 4.6161, 4.7233, 4.8173],'fb':[0.1360, 1.5068,  8.8213,  41.9536, 141.2424]},
    'Nd':   {'Z':60,'fa':[0.5368, 2.3301, 4.6058, 4.6621, 4.4622],'fb':[0.1378, 1.5140,  8.8719,  43.5967, 141.8065]},
    'Pm':   {'Z':61,'fa':[0.5232, 2.2627, 4.4552, 4.4787, 4.5073],'fb':[0.1317, 1.4336,  8.3087,  40.6010, 135.9196]},
    'Sm':   {'Z':62,'fa':[0.5162, 2.2302, 4.3449, 4.3598, 4.4292],'fb':[0.1279, 1.3811,  7.9629,  39.1213, 132.7846]},
    'Eu':   {'Z':63,'fa':[0.5272, 2.2844, 4.3361, 4.3178, 4.0908],'fb':[0.1285, 1.3943,  8.1081,  40.9631, 134.1233]},
    'Gd':   {'Z':64,'fa':[0.9664, 3.4052, 5.0803, 1.4991, 4.2528],'fb':[0.2641, 2.6586, 16.2213,  80.2060,  92.5359]},
    'Tb':   {'Z':65,'fa':[0.5110, 2.1570, 4.0308, 3.9936, 4.2466],'fb':[0.1210, 1.2704,  7.1368,  35.0354, 123.5062]},
    'Dy':   {'Z':66,'fa':[0.4974, 2.1097, 3.8906, 3.8100, 4.3084],'fb':[0.1157, 1.2108,  6.7377,  32.4150, 116.9225]},
    'Ho':   {'Z':67,'fa':[0.4679, 1.9693, 3.7191, 3.9632, 4.2432],'fb':[0.1069, 1.0994,  5.9769,  27.1491,  96.3119]},
    'Er':   {'Z':68,'fa':[0.5034, 2.1088, 3.8232, 3.7299, 3.8963],'fb':[0.1141, 1.1769,  6.6087,  33.4332, 116.4913]},
    'Tm':   {'Z':69,'fa':[0.4839, 2.0262, 3.6851, 3.5874, 4.0037],'fb':[0.1081, 1.1012,  6.1114,  30.3728, 110.5988]},
    'Yb':   {'Z':70,'fa':[0.5221, 2.1695, 3.7567, 3.6685, 3.4274],'fb':[0.1148, 1.1860,  6.7520,  35.6807, 118.0692]},
    'Lu':   {'Z':71,'fa':[0.4680, 1.9466, 3.5428, 3.8490, 3.6594],'fb':[0.1015, 1.0195,  5.6058,  27.4899,  95.2846]},
    'Hf':   {'Z':72,'fa':[0.4048, 1.7370, 3.3399, 3.9448, 3.7293],'fb':[0.0868, 0.8585,  4.6378,  21.6900,  80.2408]},
    'Ta':   {'Z':73,'fa':[0.3835, 1.6747, 3.2986, 4.0462, 3.4303],'fb':[0.0810, 0.8020,  4.3545,  19.9644,  73.6337]},
    'W':    {'Z':74,'fa':[0.3661, 1.6191, 3.2455, 4.0856, 3.2064],'fb':[0.0761, 0.7543,  4.0952,  18.2886,  68.0967]},
    'Re':   {'Z':75,'fa':[0.3933, 1.6973, 3.4202, 4.1274, 2.6158],'fb':[0.0806, 0.7972,  4.4237,  19.5692,  68.7477]},
    'Os':   {'Z':76,'fa':[0.3854, 1.6555, 3.4129, 4.1111, 2.4106],'fb':[0.0787, 0.7638,  4.2441,  18.3700,  65.1071]},
    'Ir':   {'Z':77,'fa':[0.3510, 1.5620, 3.2946, 4.0615, 2.4382],'fb':[0.0706, 0.6904,  3.8266,  16.0812,  58.7638]},
    'Pt':   {'Z':78,'fa':[0.3083, 1.4158, 2.9662, 3.9349, 2.1709],'fb':[0.0609, 0.5993,  3.1921,  12.5285,  49.7675]},
    'Au':   {'Z':79,'fa':[0.3055, 1.3945, 2.9617, 3.8990, 2.0026],'fb':[0.0596, 0.5827,  3.1035,  11.9693,  47.9106]},
    'Hg':   {'Z':80,'fa':[0.3593, 1.5736, 3.5237, 3.8109, 1.6953],'fb':[0.0694, 0.6758,  3.8457,  15.6203,  56.6614]},
    'Tl':   {'Z':81,'fa':[0.3511, 1.5489, 3.5676, 4.0900, 2.5251],'fb':[0.0672, 0.6522,  3.7420,  15.9791,  65.1354]},
    'Pb':   {'Z':82,'fa':[0.3540, 1.5453, 3.5975, 4.3152, 2.7743],'fb':[0.0668, 0.6465,  3.6968,  16.2056,  61.4909]},
    'Bi':   {'Z':83,'fa':[0.3530, 1.5258, 3.5815, 4.5532, 3.0714],'fb':[0.0661, 0.6324,  3.5906,  15.9962,  57.5760]},
    'Po':   {'Z':84,'fa':[0.3673, 1.5772, 3.7079, 4.8582, 2.8440],'fb':[0.0678, 0.6527,  3.7396,  17.0668,  55.9789]},
    'At':   {'Z':85,'fa':[0.3547, 1.5206, 3.5621, 5.0184, 3.0075],'fb':[0.0649, 0.6188,  3.4696,  15.6090,  49.4818]},
    'Rn':   {'Z':86,'fa':[0.4586, 1.7781, 3.9877, 5.7273, 1.5460],'fb':[0.0831, 0.7840,  4.3599,  20.0128,  62.1535]},
    'Fr':   {'Z':87,'fa':[0.8282, 2.9941, 5.6597, 4.9292, 4.2889],'fb':[0.1515, 1.6163,  9.7752,  42.8480, 190.7366]},
    'Ra':   {'Z':88,'fa':[1.4129, 4.4269, 7.0460,-1.0573, 8.6430],'fb':[0.2921, 3.1381, 19.6767, 102.0436, 113.9798]},
    'Ac':   {'Z':89,'fa':[0.7169, 2.5710, 5.1791, 6.3484, 5.6474],'fb':[0.1263, 1.2900,  7.3686,  32.4490, 118.0558]},
    'Th':   {'Z':90,'fa':[0.6958, 2.4936, 5.1269, 6.6988, 5.0799],'fb':[0.1211, 1.2247,  6.9398,  30.0991, 105.1960]},
    'Pa':   {'Z':91,'fa':[1.2502, 4.2284, 7.0489, 1.1390, 5.8222],'fb':[0.2415, 2.6442, 16.3313,  73.5757,  91.9401]},
    'U':    {'Z':92,'fa':[0.6410, 2.2643, 4.8713, 5.9287, 5.3935],'fb':[0.1097, 1.0644,  5.7907,  25.0261, 101.3899]},
    'Np':   {'Z':93,'fa':[0.6938, 2.4652, 5.1227, 5.5965, 4.8543],'fb':[0.1171, 1.1757,  6.4053,  27.5217, 103.0482]},
    'Pu':   {'Z':94,'fa':[0.6902, 2.4509, 5.1284, 5.0339, 4.8575],'fb':[0.1153, 1.1545,  6.2291,  27.0741, 111.3150]},
    'Am':   {'Z':95,'fa':[0.7577, 2.7264, 5.4184, 4.8198, 4.1013],'fb':[0.1257, 1.3044,  7.1035,  32.4649, 118.8647]},
    'Cm':   {'Z':96,'fa':[0.7567, 2.7565, 5.4364, 5.1918, 3.5643],'fb':[0.1239, 1.2979,  7.0798,  32.7871, 110.1512]},
    'Bk':   {'Z':97,'fa':[0.7492, 2.7267, 5.3521, 5.0369, 3.5321],'fb':[0.1217, 1.2651,  6.8101,  31.6088, 106.4853]},
    'Cf':   {'Z':98,'fa':[0.8100, 3.0001, 5.4635, 4.1756, 3.5066],'fb':[0.1310, 1.4038,  7.6057,  34.0186,  90.5226]},}
# atom Sizes, bond radii, angle radii, H-bond radii
AtmSize = {
    'H': [0.98,  0.78, 1.20, 0],
    'D': [0.98,  0.78, 1.20, 0],
    'T': [0.98,  0.78, 1.20, 0],
    'He':[1.45,  1.25, 1.40, 0],
    'Li':[1.76,  1.56, 1.82, 0],
    'Be':[1.33,  1.13, 1.70, 0],
    'B': [1.18,  0.98, 2.08, 0],
    'C': [1.12,  0.92, 1.95, 0],
    'N': [1.08,  0.88, 1.85, 1.30],
    'O': [1.09,  0.89, 1.70, 1.40],
    'F': [1.30,  1.10, 1.73, 0],
    'Ne':[1.50,  1.30, 1.54, 0],
    'Na':[2.10,  1.91, 2.27, 0],
    'Mg':[1.80,  1.60, 1.73, 0],                                      
    'Al':[1.60,  1.43, 2.05, 0],
    'Si':[1.52,  1.32, 2.10, 0],
    'P': [1.48,  1.28, 2.08, 0],
    'S': [1.47,  1.27, 2.00, 0],
    'Cl':[1.70,  1.50, 1.97, 0],
    'Ar':[2.00,  1.80, 1.88, 0],
    'K': [2.58,  2.38, 2.75, 0],
    'Ca':[2.17,  1.97, 1.97, 0],
    'Sc':[1.84,  1.64, 1.70, 0],
    'Ti':[1.66,  1.46, 1.70, 0],
    'V': [1.55,  1.35, 1.70, 0],
    'Cr':[1.56,  1.36, 1.70, 0],
    'Mn':[1.54,  1.30, 1.70, 0],
    'Fe':[1.47,  1.27, 1.70, 0],
    'Co':[1.45,  1.25, 1.70, 0],
    'Ni':[1.45,  1.25, 1.63, 0],
    'Cu':[1.48,  1.28, 1.40, 0],
    'Zn':[1.59,  1.39, 1.39, 0],
    'Ga':[1.61,  1.41, 1.87, 0],
    'Ge':[1.57,  1.37, 1.70, 0],
    'As':[1.59,  1.39, 1.85, 0],
    'Se':[1.60,  1.40, 1.90, 0],
    'Br':[1.80,  1.60, 2.10, 0],
    'Kr':[2.10,  1.90, 2.02, 0],
    'Rb':[2.75,  2.55, 1.70, 0],
    'Sr':[2.35,  2.15, 1.70, 0],
    'Y': [2.00,  1.80, 1.70, 0],
    'Zr':[1.80,  1.60, 1.70, 0],
    'Nb':[1.67,  1.47, 1.70, 0],
    'Mo':[1.60,  1.40, 1.70, 0],
    'Tc':[1.56,  1.36, 1.70, 0],
    'Ru':[1.54,  1.34, 1.70, 0],
    'Rh':[1.54,  1.34, 1.70, 0],
    'Pd':[1.58,  1.38, 1.63, 0],
    'Ag':[1.64,  1.44, 1.72, 0],
    'Cd':[1.77,  1.57, 1.58, 0],
    'In':[1.86,  1.66, 1.93, 0],
    'Sn':[1.82,  1.62, 2.17, 0],
    'Sb':[1.79,  1.59, 2.20, 0],
    'Te':[1.80,  1.60, 2.06, 0],
    'I': [1.90,  1.70, 2.15, 0],
    'Xe':[2.30,  2.10, 2.16, 0],
    'Cs':[2.93,  2.73, 1.70, 0],
    'Ba':[2.44,  2.24, 1.70, 0],
    'La':[2.08,  1.88, 1.70, 0],
    'Ce':[2.02,  1.82, 1.70, 0],
    'Pr':[2.03,  1.83, 1.70, 0],
    'Nd':[2.02,  1.82, 1.70, 0],
    'Pm':[2.01,  1.81, 1.70, 0],
    'Sm':[2.00,  1.80, 1.70, 0],
    'Eu':[2.24,  2.04, 1.70, 0],
    'Gd':[2.00,  1.80, 1.70, 0],
    'Tb':[1.98,  1.78, 1.70, 0],
    'Dy':[1.97,  1.77, 1.70, 0],
    'Ho':[1.98,  1.78, 1.70, 0],
    'Er':[1.96,  1.76, 1.70, 0],
    'Tm':[1.95,  1.75, 1.70, 0],
    'Yb':[2.10,  1.90, 1.70, 0],
    'Lu':[1.93,  1.73, 1.70, 0],
    'Hf':[1.78,  1.58, 1.70, 0],
    'Ta':[1.67,  1.47, 1.70, 0],
    'W': [1.61,  1.41, 1.70, 0],
    'Re':[1.58,  1.38, 1.70, 0],
    'Os':[1.55,  1.35, 1.70, 0],
    'Ir':[1.56,  1.36, 1.70, 0],
    'Pt':[1.59,  1.39, 1.72, 0],
    'Au':[1.64,  1.44, 1.66, 0],
    'Hg':[1.77,  1.57, 1.55, 0],
    'Tl':[1.92,  1.72, 1.96, 0],
    'Pb':[1.95,  1.75, 2.02, 0],
    'Bi':[1.90,  1.70, 1.70, 0],
    'Po':[1.96,  1.76, 1.70, 0],
    'At':[2.00,  1.80, 1.70, 0],
    'Rn':[2.40,  2.20, 1.70, 0],
    'Fr':[3.00,  2.80, 1.70, 0],
    'Ra':[2.46,  2.26, 1.70, 0],
    'Ac':[2.09,  1.88, 1.70, 0],
    'Th':[2.00,  1.80, 1.70, 0],
    'Pa':[1.83,  1.63, 1.70, 0],
    'U': [1.76,  1.56, 1.86, 0],
    'Np':[1.80,  1.60, 1.70, 0],
    'Pu':[1.84,  1.64, 1.70, 0],
    'Am':[2.01,  1.81, 1.70, 0],
    'Cm':[2.20,  2.00, 1.70, 0],
    'Bk':[2.20,  2.00, 1.70, 0],
    'Cf':[2.20,  2.00, 1.70, 0],
    'Va':[0.50,  0.50, 0.50, 0],
    'Q': [0.50,  0.50, 0.50, 0],
        }
# Bond valence coefficients for X-O, X-F & X-Cl Taken from Brese and O'Keefe, Acta Cryst B, 47, 192-197 (1991).
BVSoxid = {
    'Ac':['Ac+3',],
    'Ag':['Ag+1',],
    'Al':['Al+3',],
    'Am':['Am+3',],
    'As':['As+5','As+3','As-3',],            
    'Au':['Au+3',],          
    'B' :['B+3',],           
    'Ba':['Ba+2',],   
    'Be':['Be+2',],  
    'Bi':['Bi+5','Bi+3',],
    'Bk':['Bk+3',],    
    'Br':['Br-1','Br+7',],
    'C' :['C+4',],
    'Ca':['Ca+2',],
    'Cd':['Cd+2',],
    'Ce':['Ce+4','Ce+3',],
    'Cf':['Cf+3',],
    'Cl':['Cl-1','Cl+7',],
    'Cm':['Cm+3',],
    'Co':['Co+2','Co+3',],
    'Cr':['Cr+2','Cr+3','Cr+6',],
    'Cs':['Cs+1',],
    'Cu':['Cu+1','Cu+2',],
    'Dy':['Dy+3',],
    'Er':['Er+3',],
    'Eu':['Eu+2','Eu+3',],
    'F' :['F-1',],
    'Fe':['Fe+2','Fe+3',],
    'Ga':['Ga+3',],
    'Gd':['Gd+3',],
    'Ge':['Ge+4',],
    'H' :['H+1','H-1',],
    'D' :['D+1','D-1',],
    'Hf':['Hf+4',],
    'Hg':['Hg+1','Hg+2',],
    'Ho':['Ho+3',],
    'I' :['I-1','I+5','I+7',],
    'In':['In+3',],
    'Ir':['Ir+5',],
    'K' :['K+1',],
    'La':['La+3',],
    'Li':['Li+1',],
    'Lu':['Lu+3',],
    'Mg':['Mg+2',],
    'Mn':['Mn+2','Mn+3','Mn+4','Mn+7',],
    'Mo':['Mo+6',],
    'N' :['N+5','N+3','N-3',],
    'Na':['Na+1',],
    'Nb':['Nb+5',],
    'Nd':['Nd+3',],
    'Ni':['Ni+2',],
    'O' :['O-2',],
    'Os':['Os+4',],
    'P' :['P+5','P-3',],
    'Pb':['Pb+2','Pb+4',],
    'Pd':['Pd+2',],
    'Pr':['Pr+3',],
    'Pt':['Pt+2','Pt+4',],
    'Pu':['Pu+3',],
    'Q' :['Q',],    #spin sph. harm RB
    'Rb':['Rb+1',],
    'Re':['Re+7',],
    'Rh':['Rh+3',],
    'Ru':['Ru+4',],
    'S' :['S+6','S+4','S-2',],
    'Sb':['Sb+3','Sb+5',],
    'Sc':['Sc+3',],
    'Se':['Se+6','Se+4','Se-2',],
    'Si':['Si+4',],
    'Sm':['Sm+3',],
    'Sn':['Sn+2','Sn+4',],
    'Sr':['Sr+2',],
    'Ta':['Ta+5',],
    'Tb':['Tb+3',],
    'Te':['Te+6','Te+4','Te-2',],
    'Th':['Th+4',],
    'Ti':['Ti+4','Ti+3',],
    'Tl':['Tl+3','Tl+5',],
    'Tm':['Tm+3',],
    'U' :['U+4','U+6',],
    'V': ['V+5','V+4','V+3',],
    'Va':['Va',],   #vacancy
    'W' :['W+6',],
    'Y' :['Y+3',],
    'Yb':['Yb+3',],
    'Zn':['Zn+2',],
    'Zr':['Zr+4'],
        }
BVScoeff = {
    'Ac+3':[ 2.24,  2.13,  2.63],
    'Ag+1':[ 1.805, 1.80,  2.09],            
    'Al+3':[ 1.651, 1.545, 2.03],         
    'Am+3':[ 2.11,  2.00,  2.48],           
    'As+3':[ 1.789, 1.70,  2.16],          
    'As+5':[ 1.767, 1.62,  2.14],            
    'Au+3':[ 1.833, 1.81,  2.17],          
    'B+3':[  1.371, 1.31,  1.74],           
    'Ba+2':[ 2.29,  2.19,  2.69],            
    'Be+2':[ 1.381, 1.28,  1.76],           
    'Bi+3':[ 2.09,  1.99,  2.48],           
    'Bi+5':[ 2.06,  1.97,  2.44],             
    'Bk+3':[ 2.08,  1.96,  2.46],           
    'Br+7':[ 1.81,  1.72,  2.19],           
    'C+4':[  1.39,  1.32,  1.76],             
    'Ca+2':[ 1.967, 1.842, 2.37],          
    'Cd+2':[ 1.904, 1.811, 2.23],          
    'Ce+3':[ 2.151, 2.036, 2.52],         
    'Ce+4':[ 2.028, 1.995, 2.41],          
    'Cf+3':[ 2.07,  1.95,  2.45],           
    'Cl+7':[ 1.632, 1.55,  2.00],          
    'Cm+3':[ 2.23,  2.12,  2.62],     
    'Co+2':[ 1.692, 1.64,  2.01],           
    'Co+3':[ 1.70,  1.62,  2.05],           
    'Cr+2':[ 1.73,  1.67,  2.09],            
    'Cr+3':[ 1.724, 1.64,  2.08],         
    'Cr+6':[ 1.794, 1.74,  2.12],          
    'Cs+1':[ 2.42,  2.33,  2.79],             
    'Cu+1':[ 1.593, 1.60,  1.85],            
    'Cu+2':[ 1.679, 1.60,  2.00],           
    'Dy+3':[ 2.036, 1.922, 2.41],         
    'Er+3':[ 2.01,  1.906, 2.39],          
    'Eu+2':[ 2.147, 2.04,  2.53],           
    'Eu+3':[ 2.076, 1.961, 2.455],        
    'Fe+2':[ 1.734, 1.65,  2.06],           
    'Fe+3':[ 1.759, 1.67,  2.09],          
    'Ga+3':[ 1.73,  1.62,  2.07],           
    'Gd+3':[ 2.065, 1.95,  2.445],         
    'Ge+4':[ 1.748, 1.66,  2.14],            
    'H+1':[  0.95,  0.92,  1.28],              
    'Hf+4':[ 1.923, 1.85,  2.30],           
    'Hg+1':[ 1.90,  1.81,  2.28],             
    'Hg+2':[ 1.93,  1.90,  2.25],            
    'Ho+3':[ 2.023, 1.908, 2.401],        
    'I+5':[  2.00,  1.90,  2.38],              
    'I+7':[  1.93,  1.83,  2.31],            
    'In+3':[ 1.902, 1.79,  2.28],          
    'Ir+5':[ 1.916, 1.82,  2.30],            
    'K+1':[  2.13,  1.99,  2.52],              
    'La+3':[ 2.172, 2.057, 2.545],        
    'Li+1':[ 1.466, 1.36,  1.91],            
    'Lu+3':[ 1.971, 1.876, 2.361],        
    'Mg+2':[ 1.693, 1.581, 2.08],          
    'Mn+2':[ 1.79,  1.698, 2.13],           
    'Mn+3':[ 1.76,  1.66,  2.14],
    'Mn+4':[ 1.753, 1.71,  2.13],
    'Mn+7':[ 1.79,  1.72,  2.17],      
    'Mo+6':[ 1.907, 1.81,  2.28],      
    'N+3':[  1.361, 1.37,  1.75],      
    'N+5':[  1.432, 1.36,  1.8],        
    'Na+1':[ 1.8,   1.677, 2.15],        
    'Nb+5':[ 1.911, 1.87,  2.27],       
    'Nd+3':[ 2.117, 2.008, 2.492],   
    'Ni+2':[ 1.654, 1.599, 2.02],     
    'Os+4':[ 1.811, 1.72,  2.19],      
    'P+5':[  1.604, 1.521, 1.99],       
    'Pb+2':[ 2.112, 2.03,  2.53],      
    'Pb+4':[ 2.042, 1.94,  2.43],      
    'Pd+2':[ 1.792, 1.74,  2.05],      
    'Pr+3':[ 2.135, 2.022, 2.5],     
    'Pt+2':[ 1.768, 1.68,  2.05],      
    'Pt+4':[ 1.879, 1.759, 2.17],     
    'Pu+3':[ 2.11,  2.0,   2.48],         
    'Rb+1':[ 2.26,  2.16,  2.65],        
    'Re+7':[ 1.97,  1.86,  2.23],      
    'Rh+3':[ 1.791, 1.71,  2.17],     
    'Ru+4':[ 1.834, 1.74,  2.21],      
    'S+4':[  1.644, 1.6,   2.02],        
    'S+6':[  1.624, 1.56,  2.03],       
    'Sb+3':[ 1.973, 1.9,   2.35],      
    'Sb+5':[ 1.942, 1.8,   2.3],         
    'Sc+3':[ 1.849, 1.76,  2.23],     
    'Se+4':[ 1.811, 1.73,  2.22],      
    'Se+6':[ 1.788, 1.69,  2.16],      
    'Si+4':[ 1.624, 1.58,  2.03],      
    'Sm+3':[ 2.088, 1.977, 2.466],   
    'Sn+2':[ 1.984, 1.925, 2.36],     
    'Sn+4':[ 1.905, 1.84,  2.28],      
    'Sr+2':[ 2.118, 2.019, 2.51],     
    'Ta+5':[ 1.92,  1.88,  2.3],         
    'Tb+3':[ 2.049, 1.936, 2.427],   
    'Te+4':[ 1.977, 1.87,  2.37],      
    'Te+6':[ 1.917, 1.82,  2.3],       
    'Th+4':[ 2.167, 2.07,  2.55],      
    'Ti+3':[ 1.791, 1.723, 2.17],    
    'Ti+4':[ 1.815, 1.76,  2.19],      
    'Tl+1':[ 2.172, 2.15,  2.56],       
    'Tl+3':[ 2.003, 1.88,  2.32],     
    'Tm+3':[ 2.0,   1.842, 2.38],        
    'U+4':[  2.112, 2.034, 2.48],      
    'U+6':[  2.075, 1.966, 2.46],      
    'V+3':[  1.743, 1.702, 2.19],     
    'V+4':[  1.784, 1.7,   2.16],        
    'V+5':[  1.803, 1.71,  2.16], 
    'W+6':[  1.921, 1.83,  2.27],       
    'Y+3':[  2.014, 1.904, 2.4],      
    'Yb+3':[ 1.985, 1.875, 2.371],   
    'Zn+2':[ 1.704, 1.62,  2.01],      
    'Zr+4':[ 1.937, 1.854, 2.33],
    }
#for X-Br-1 I-1 S-2 Se-2 Te-2 N-3 P-3 As-3 H-1 D-1
BVSnotOFCl = {
        'Ag':[ 2.22, 2.38, 2.15, 2.26, 2.51, 1.85, 2.22, 2.30, 1.50, 1.50],
        'Al':[ 2.20, 2.41, 2.13, 2.27, 2.48, 1.79, 2.24, 2.32, 1.45, 1.45], 
        'As':[ 2.32, 2.54, 2.26, 2.39, 2.61, 1.93, 2.34, 2.41, 1.56, 1.56], 
        'Au':[ 2.12, 2.34, 2.03, 2.18, 2.41, 1.72, 2.14, 2.22, 1.37, 1.37], 
        'B' :[ 1.88, 2.10, 1.82, 1.95, 2.20, 1.47, 1.88, 1.97, 1.14, 1.14], 
        'Ba':[ 2.88, 3.13, 2.77, 2.88, 3.08, 2.47, 2.88, 2.96, 2.22, 2.22], 
        'Be':[ 1.90, 2.10, 1.83, 1.97, 2.21, 1.50, 1.95, 2.00, 1.11, 1.11], 
        'Bi':[ 2.62, 2.84, 2.55, 2.72, 2.87, 2.24, 2.63, 2.72, 1.97, 1.97], 
        'C': [ 1.90, 2.12, 1.82, 1.97, 2.21, 1.47, 1.89, 1.99, 1.10, 1.10], 
        'Ca':[ 2.49, 2.72, 2.45, 2.56, 2.76, 2.14, 2.55, 2.62, 1.83, 1.83], 
        'Cd':[ 2.35, 2.57, 2.29, 2.40, 2.59, 1.96, 2.34, 2.43, 1.66, 1.66], 
        'Ce':[ 2.69, 2.92, 2.62, 2.74, 2.92, 2.34, 2.70, 2.78, 2.04, 2.04], 
        'Co':[ 2.18, 2.37, 2.06, 2.24, 2.46, 1.84, 2.21, 2.28, 1.44, 1.44], 
        'Cr':[ 2.26, 2.45, 2.18, 2.29, 2.52, 1.85, 2.27, 2.34, 1.52, 1.52], 
        'Cs':[ 2.95, 3.18, 2.89, 2.98, 3.16, 2.53, 2.93, 3.04, 2.44, 2.44], 
        'Cu':[ 1.99, 2.16, 1.86, 2.02, 2.27, 1.61, 1.97, 2.08, 1.21, 1.21], 
        'Dy':[ 2.56, 2.77, 2.47, 2.61, 2.80, 2.18, 2.57, 2.64, 1.89, 1.89], 
        'Er':[ 2.54, 2.75, 2.46, 2.59, 2.78, 2.16, 2.55, 2.63, 1.86, 1.86], 
        'Eu':[ 2.61, 2.83, 2.53, 2.66, 2.85, 2.24, 2.62, 2.70, 1.95, 1.95], 
        'Fe':[ 2.26, 2.47, 2.16, 2.28, 2.53, 1.86, 2.27, 2.35, 1.53, 1.53], 
        'Ga':[ 2.24, 2.45, 2.17, 2.30, 2.54, 1.84, 2.26, 2.34, 1.51, 1.51], 
        'Gd':[ 2.60, 2.82, 2.53, 2.65, 2.84, 2.22, 2.61, 2.68, 1.93, 1.93], 
        'Ge':[ 2.30, 2.50, 2.22, 2.35, 2.56, 1.88, 2.32, 2.43, 1.55, 1.55], 
        'H': [ 1.42, 1.61, 1.35, 1.48, 1.78, 1.03, 1.48, 1.52, 0.74, 0.74], 
        'Hf':[ 2.47, 2.68, 2.39, 2.52, 2.72, 2.09, 2.48, 2.56, 1.78, 1.78],
        'Hg':[ 2.40, 2.59, 2.32, 2.47, 2.61, 2.02, 2.42, 2.50, 1.71, 1.71], 
        'Ho':[ 2.55, 2.77, 2.48, 2.61, 2.80, 2.18, 2.56, 2.64, 1.88, 1.88], 
        'In':[ 2.41, 2.63, 2.36, 2.47, 2.69, 2.03, 2.43, 2.51, 1.72, 1.72], 
        'Ir':[ 2.45, 2.66, 2.38, 2.51, 2.71, 2.06, 2.46, 2.54, 1.76, 1.76], 
        'K': [ 2.66, 2.88, 2.59, 2.72, 2.93, 2.26, 2.64, 2.83, 2.10, 2.10], 
        'La':[ 2.72, 2.93, 2.64, 2.74, 2.94, 2.34, 2.73, 2.80, 2.06, 2.06], 
        'Li':[ 2.02, 2.22, 1.94, 2.09, 2.30, 1.61, 2.04, 2.11, 1.31, 1.31], 
        'Lu':[ 2.50, 2.72, 2.43, 2.56, 2.75, 2.11, 2.51, 2.59, 1.82, 1.82], 
        'Mg':[ 2.28, 2.46, 2.18, 2.32, 2.53, 1.85, 2.29, 2.38, 1.53, 1.53], 
        'Mn':[ 2.26, 2.49, 2.20, 2.32, 2.55, 1.87, 2.24, 2.36, 1.55, 1.55], 
        'Mo':[ 2.43, 2.64, 2.35, 2.49, 2.69, 2.04, 2.44, 2.52, 1.73, 1.73], 
        'Na':[ 2.33, 2.56, 2.28, 2.41, 2.64, 1.93, 2.36, 2.53, 1.68, 1.68], 
        'Nb':[ 2.45, 2.68, 2.37, 2.51, 2.70, 2.06, 2.46, 2.54, 1.75, 1.75], 
        'Nd':[ 2.66, 2.87, 2.59, 2.71, 2.89, 2.30, 2.66, 2.74, 2.00, 2.00], 
        'Ni':[ 2.16, 2.34, 2.04, 2.14, 2.43, 1.75, 2.17, 2.24, 1.40, 1.40], 
        'P': [ 2.15, 2.40, 2.11, 2.26, 2.44, 1.73, 2.19, 2.25, 1.41, 1.41], 
        'Pb':[ 2.64, 2.78, 2.55, 2.67, 2.84, 2.22, 2.64, 2.72, 1.97, 1.97], 
        'Pd':[ 2.19, 2.38, 2.10, 2.22, 2.48, 1.81, 2.22, 2.30, 1.47, 1.47], 
        'Pr':[ 2.67, 2.89, 2.60, 2.72, 2.90, 2.30, 2.68, 2.75, 2.02, 2.02], 
        'Pt':[ 2.18, 2.37, 2.08, 2.19, 2.45, 1.77, 2.19, 2.26, 1.40, 1.40], 
        'Rb':[ 2.78, 3.01, 2.70, 2.81, 3.00, 2.37, 2.76, 2.87, 2.26, 2.26], 
        'Re':[ 2.45, 2.61, 2.37, 2.50, 2.70, 2.06, 2.46, 2.54, 1.75, 1.75], 
        'Rh':[ 2.25, 2.48, 2.15, 2.33, 2.55, 1.88, 2.29, 2.37, 1.55, 1.55], 
        'Ru':[ 2.26, 2.48, 2.16, 2.33, 2.54, 1.88, 2.29, 2.36, 1.61, 1.61], 
        'S': [ 2.17, 2.36, 2.07, 2.21, 2.45, 1.74, 2.15, 2.25, 1.38, 1.38], 
        'Sb':[ 2.50, 2.72, 2.45, 2.57, 2.78, 2.12, 2.52, 2.60, 1.77, 1.77], 
        'Sc':[ 2.38, 2.59, 2.32, 2.44, 2.64, 1.98, 2.40, 2.48, 1.68, 1.68], 
        'Se':[ 2.33, 2.54, 2.25, 2.36, 2.55, 1.93, 2.34, 2.42, 1.54, 1.54], 
        'Si':[ 2.20, 2.41, 2.13, 2.26, 2.49, 1.77, 2.23, 2.31, 1.47, 1.47],
        'Sm':[ 2.62, 2.84, 2.55, 2.67, 2.86, 2.24, 2.63, 2.70, 1.96, 1.96], 
        'Sn':[ 2.55, 2.76, 2.45, 2.59, 2.76, 2.14, 2.45, 2.62, 1.85, 1.85], 
        'Sr':[ 2.68, 2.88, 2.59, 2.72, 2.87, 2.23, 2.67, 2.76, 2.01, 2.01], 
        'Ta':[ 2.45, 2.66, 2.39, 2.51, 2.70, 2.01, 2.47, 2.55, 1.76, 1.76], 
        'Tb':[ 2.58, 2.80, 2.51, 2.63, 2.82, 2.20, 2.59, 2.66, 1.91, 1.91], 
        'Te':[ 2.53, 2.76, 2.45, 2.53, 2.76, 2.12, 2.52, 2.60, 1.83, 1.83], 
        'Th':[ 2.71, 2.93, 2.64, 2.76, 2.94, 2.34, 2.73, 2.80, 2.07, 2.07], 
        'Ti':[ 2.32, 2.54, 2.24, 2.38, 2.60, 1.93, 2.36, 2.42, 1.61, 1.61], 
        'Tl':[ 2.70, 2.91, 2.63, 2.70, 2.93, 2.29, 2.71, 2.79, 2.05, 2.05], 
        'Tm':[ 2.53, 2.74, 2.45, 2.58, 2.77, 2.14, 2.53, 2.62, 1.85, 1.85], 
        'U': [ 2.63, 2.84, 2.56, 2.70, 2.86, 2.24, 2.64, 2.72, 1.97, 1.97], 
        'V': [ 2.30, 2.51, 2.23, 2.33, 2.57, 1.86, 2.31, 2.39, 1.58, 1.58], 
        'W': [ 2.45, 2.66, 2.39, 2.51, 2.71, 2.06, 2.46, 2.54, 1.76, 1.76], 
        'Y': [ 2.55, 2.77, 2.48, 2.61, 2.80, 2.17, 2.57, 2.64, 1.86, 1.86], 
        'Yb':[ 2.51, 2.72, 2.43, 2.56, 2.76, 2.12, 2.53, 2.59, 1.82, 1.82], 
        'Zn':[ 2.15, 2.36, 2.09, 2.22, 2.45, 1.77, 2.15, 2.24, 1.42, 1.42], 
        'Zr':[ 2.48, 2.69, 2.41, 2.53, 2.67, 2.11, 2.52, 2.57, 1.79, 1.79],
        }
AtmBlens = {
# atom masses & neutron scattering length (b,b'), sig(incoh) @ 1A
    'H_':    {'Mass':  1.008,'SL':[ -.3741,      0],'SA':       20.6},
    'H_1':   {'Mass':  1.008,'SL':[ -.3742,      0],'SA':       20.6},
    'H_2':   {'Mass':  2.014,'SL':[  .6674,      0],'SA':     .00052},
    'H_3':   {'Mass':  3.016,'SL':[  .4792,      0],'SA':        0.0},
    'D_':    {'Mass':  2.014,'SL':[  .6674,      0],'SA':     .00052},
    'D_2':   {'Mass':  2.014,'SL':[  .6674,      0],'SA':     .00052},
    'T_':    {'Mass':  3.016,'SL':[  .4792,      0],'SA':        0.0},
    'T_3':   {'Mass':  3.016,'SL':[  .4792,      0],'SA':        0.0},
    'He_':   {'Mass':  4.003,'SL':[   .326,      0],'SA':      .0075},
    'He_3':  {'Mass':  3.016,'SL':[   .574, -.1483],'SA':      5333.},
    'He_4':  {'Mass':  4.003,'SL':[   .326,      0],'SA':        0.0},
    'Li_':   {'Mass':  6.941,'SL':[  -.190,      0],'SA':       70.5},
    'Li_6':  {'Mass':  6.015,'SL':[   .200, -.0261],'SA':       940.},
    'Li_7':  {'Mass':  7.016,'SL':[  -.222,      0],'SA':      .0454},
    'Be_':   {'Mass':  9.012,'SL':[   .779,      0],'SA':      .0076},
    'B_':    {'Mass':  10.81,'SL':[    .53, -.0213],'SA':       767.},
    'B_10':  {'Mass': 10.013,'SL':[  -0.02, -.1066],'SA':      3835.},
    'B_11':  {'Mass': 11.009,'SL':[   .665,      0],'SA':      .0055},
    'C_':    {'Mass': 12.011,'SL':[  .6648,      0],'SA':      .0035},
    'C_12':  {'Mass': 12.000,'SL':[  .6654,      0],'SA':     .00353},
    'C_13':  {'Mass': 13.003,'SL':[   .619,      0],'SA':     .00137},
    'N_':    {'Mass': 14.007,'SL':[   .936,      0],'SA':       1.90},
    'N_14':  {'Mass': 14.003,'SL':[   .937,      0],'SA':       1.91},
    'N_15':  {'Mass': 15.000,'SL':[   .644,      0],'SA':     .00002},
    'O_':    {'Mass': 15.999,'SL':[  .5805,      0],'SA':     .00019},
    'O_16':  {'Mass': 15.995,'SL':[  .5805,      0],'SA':     .00010},
    'O_17':  {'Mass': 16.999,'SL':[    .56,      0],'SA':       .236},
    'O_18':  {'Mass': 17.999,'SL':[   .584,      0],'SA':     .00016},
    'F_':    {'Mass': 18.998,'SL':[  .5654,      0],'SA':      .0096},
    'F_19':  {'Mass': 18.998,'SL':[  .5654,      0],'SA':      .0096},
    'Ne_':   {'Mass': 20.179,'SL':[    .46,      0],'SA':       .039},
    'Ne_20': {'Mass': 19.992,'SL':[  .4631,      0],'SA':       .036},
    'Ne_21': {'Mass': 20.994,'SL':[   .666,      0],'SA':        .67},
    'Ne_22': {'Mass': 21.991,'SL':[   .387,      0],'SA':       .046},
    'Na_':   {'Mass': 22.990,'SL':[   .363,      0],'SA':       .530},
    'Na_23': {'Mass': 22.990,'SL':[   .363,      0],'SA':       .530},
    'Mg_':   {'Mass': 24.305,'SL':[  .5375,      0],'SA':       .063},
    'Mg_24': {'Mass': 23.985,'SL':[   .549,      0],'SA':       .050},
    'Mg_25': {'Mass': 24.986,'SL':[   .362,      0],'SA':        .19},
    'Mg_26': {'Mass': 25.983,'SL':[   .489,      0],'SA':      .0382},
    'Al_':   {'Mass': 26.982,'SL':[  .3449,      0],'SA':       .231},
    'Al_27': {'Mass': 26.982,'SL':[  .3449,      0],'SA':       .231},
    'Si_':   {'Mass': 28.086,'SL':[ .41507,      0],'SA':       .171},
    'Si_28': {'Mass': 27.977,'SL':[  .4107,      0],'SA':       .177},
    'Si_29': {'Mass': 28.976,'SL':[    .47,      0],'SA':       .101},
    'Si_30': {'Mass': 29.974,'SL':[   .458,      0],'SA':       .107},
    'P_':    {'Mass': 30.974,'SL':[   .513,      0],'SA':       .172},
    'P_31':  {'Mass': 30.974,'SL':[   .513,      0],'SA':       .172},
    'S_':    {'Mass':  32.06,'SL':[  .2847,      0],'SA':        .53},
    'S_32':  {'Mass': 31.972,'SL':[  .2804,      0],'SA':        .54},
    'S_33':  {'Mass': 32.971,'SL':[   .474,      0],'SA':        .54},
    'S_34':  {'Mass': 33.968,'SL':[   .348,      0],'SA':       .227},
    'Cl_':   {'Mass': 35.453,'SL':[  .9579,      0],'SA':       33.5},
    'Cl_35': {'Mass': 34.969,'SL':[   1.17,      0],'SA':       44.1},
    'Cl_37': {'Mass': 36.966,'SL':[   .308,      0],'SA':       .433},
    'Ar_':   {'Mass': 39.948,'SL':[  .1909,      0],'SA':       .675},
    'Ar_36': {'Mass': 35.968,'SL':[   2.49,      0],'SA':        5.2},
    'Ar_40': {'Mass': 39.962,'SL':[    .17,      0],'SA':       .660},
    'K_':    {'Mass': 39.098,'SL':[   .367,      0],'SA':        2.1},
    'K_39':  {'Mass': 38.964,'SL':[   .379,      0],'SA':        2.1},
    'K_41':  {'Mass': 40.962,'SL':[   .269,      0],'SA':       1.46},
    'Ca_':   {'Mass':  40.08,'SL':[    .47,      0],'SA':        .43},
    'Ca_40': {'Mass': 39.962,'SL':[   .478,      0],'SA':        .41},
    'Ca_44': {'Mass': 43.955,'SL':[   .142,      0],'SA':        .88},
    'Sc_':   {'Mass': 44.956,'SL':[   1.21,      0],'SA':       27.5},
    'Sc_45': {'Mass': 44.956,'SL':[   1.21,      0],'SA':       27.5},
    'Ti_':   {'Mass':  47.90,'SL':[ -.3370,      0],'SA':       6.09},
    'Ti_46': {'Mass': 45.953,'SL':[   .472,      0],'SA':        .59},
    'Ti_47': {'Mass': 46.952,'SL':[   .353,      0],'SA':        1.7},
    'Ti_48': {'Mass': 47.948,'SL':[  -.586,      0],'SA':       7.84},
    'Ti_49': {'Mass': 48.948,'SL':[   .098,      0],'SA':        2.2},
    'Ti_50': {'Mass': 49.945,'SL':[   .588,      0],'SA':       .179},
    'V_':    {'Mass': 50.942,'SL':[ -.0443,      0],'SA':       5.08},
    'V_51':  {'Mass': 50.944,'SL':[ -.0402,      0],'SA':        4.9},
    'Cr_':   {'Mass': 51.996,'SL':[  .3635,      0],'SA':       3.05},
    'Cr_50': {'Mass': 49.946,'SL':[   -.45,      0],'SA':       15.8},
    'Cr_52': {'Mass': 51.941,'SL':[  .4914,      0],'SA':        .76},
    'Cr_53': {'Mass': 52.941,'SL':[   -.42,      0],'SA':       18.1},
    'Cr_54': {'Mass': 53.939,'SL':[   .455,      0],'SA':        .36},
    'Mn_':   {'Mass': 54.938,'SL':[  -.375,      0],'SA':       13.3},
    'Mn_55': {'Mass': 54.938,'SL':[  -.375,      0],'SA':       13.3},
    'Fe_':   {'Mass': 55.847,'SL':[   .945,      0],'SA':       2.56},
    'Fe_54': {'Mass': 53.940,'SL':[    .42,      0],'SA':       2.25},
    'Fe_56': {'Mass': 55.935,'SL':[   1.01,      0],'SA':       2.59},
    'Fe_57': {'Mass': 56.935,'SL':[    .23,      0],'SA':       2.48},
    'Fe_58': {'Mass': 57.933,'SL':[    1.5,      0],'SA':       1.28},
    'Co_':   {'Mass': 58.933,'SL':[   .249,      0],'SA':      37.18},
    'Co_59': {'Mass': 58.933,'SL':[   .249,      0],'SA':      37.18},
    'Ni_':   {'Mass':  58.70,'SL':[   1.03,      0],'SA':       4.49},
    'Ni_58': {'Mass': 57.935,'SL':[   1.44,      0],'SA':        4.6},
    'Ni_60': {'Mass': 58.931,'SL':[    .28,      0],'SA':        2.9},
    'Ni_61': {'Mass': 60.931,'SL':[    .76,      0],'SA':        2.5},
    'Ni_62': {'Mass': 61.928,'SL':[   -.87,      0],'SA':       14.5},
    'Ni_64': {'Mass': 63.928,'SL':[  -.037,      0],'SA':       1.52},
    'Cu_':   {'Mass': 63.546,'SL':[  .7718,      0],'SA':       3.78},
    'Cu_63': {'Mass': 62.930,'SL':[  .6477,      0],'SA':       4.50},
    'Cu_65': {'Mass': 64.928,'SL':[  1.020,      0],'SA':       2.17},
    'Zn_':   {'Mass':  65.38,'SL':[   .568,      0],'SA':       1.11},
    'Zn_64': {'Mass': 63.929,'SL':[   .523,      0],'SA':        .93},
    'Zn_66': {'Mass': 65.926,'SL':[   .598,      0],'SA':        .62},
    'Zn_67': {'Mass': 65.927,'SL':[   .758,      0],'SA':        6.8},
    'Zn_68': {'Mass': 67.925,'SL':[   .604,      0],'SA':        1.1},
    'Ga_':   {'Mass':  69.72,'SL':[  .7288,      0],'SA':       2.75},
    'Ge_':   {'Mass':  72.59,'SL':[  .8185,      0],'SA':       2.20},
    'As_':   {'Mass': 74.922,'SL':[   .658,      0],'SA':        4.5},
    'As_75': {'Mass': 74.922,'SL':[   .658,      0],'SA':        4.5},
    'Se_':   {'Mass':  78.96,'SL':[   .797,      0],'SA':       11.7},
    'Br_':   {'Mass': 79.904,'SL':[   .679,      0],'SA':        6.9},
    'Br_79': {'Mass': 78.918,'SL':[   .679,      0],'SA':       11.0},
    'Br_81': {'Mass': 80.916,'SL':[   .678,      0],'SA':        2.7},
    'Kr_':   {'Mass':  83.80,'SL':[   .781,      0],'SA':       25.0},
    'Rb_':   {'Mass': 85.468,'SL':[   .708,      0],'SA':        .38},
    'Sr_':   {'Mass':  87.62,'SL':[   .702,      0],'SA':       1.28},
    'Y_':    {'Mass': 88.907,'SL':[   .775,      0],'SA':       1.28},
    'Y_89 ': {'Mass': 88.907,'SL':[   .775,      0],'SA':       1.28},
    'Zr_':   {'Mass':  91.22,'SL':[   .716,      0],'SA':       .185},
    'Nb_':   {'Mass': 92.906,'SL':[  .7054,      0],'SA':       1.15},
    'Nb_93': {'Mass': 92.906,'SL':[  .7054,      0],'SA':       1.15},
    'Mo_':   {'Mass':  95.94,'SL':[  .6715,      0],'SA':       2.48},
    'Tc_99': {'Mass':   99.0,'SL':[    .68,      0],'SA':       20.0},
    'Ru_':   {'Mass': 101.07,'SL':[   .702,      0],'SA':       2.56},
    'Rh_':   {'Mass':102.906,'SL':[      0,      0],
        'BW-LS':[   0.59,      78.92, 6156., 1257., 156.,0,0,0,0]},     #BW
    'Rh_103':{'Mass':102.906,'SL':[      0,      0],
        'BW-LS':[   0.59,      78.92, 6156., 1257., 156.,0,0,0,0]},     #BW
    'Pd_':   {'Mass':  106.4,'SL':[   .591,      0],'SA':         6.9},
    'Ag_':   {'Mass':107.868,'SL':[  .5922,      0],'SA':        63.3},
    'Cd_':   {'Mass': 112.41,'SL':[      0,      0],
        'BW-LS':[    .210,      27.7, 1842., 178., 113.,0,0,0,0]},
    'Cd_112':{'Mass':111.903,'SL':[   .634,      0],'SA':         2.2},
    'Cd_113':{'Mass':112.904,'SL':[      0,      0],
        'BW-LS':[  0.625,      226.7, 15070., 178., 113.0,0,0,0,0]},     #BW
    'Cd_114':{'Mass':113.903,'SL':[   .748,      0],'SA':         .34},
    'Cd_116':{'Mass':115.905,'SL':[   .626,      0],'SA':        .075},
#    'In_':   {'Mass': 114.82,'SL':[      0,      0],
#        'BW-LS':[  .4065,     -.0539,  194.,0,0,0,0,0,0]},
    'In_':   {'Mass': 114.82,'SL':[  .4065,      0],'SA':       193.8},
    'In_113':{'Mass':112.904,'SL':[   .539,      0],'SA':         12.},
#    'In_115':{'Mass':114.904,'SL':[      0,      0],
#        'BW-LS':[  0.400,      0.354, 10.793, 97.30, 30.5,0,0,0,0]},     #BW
    'In_115':{'Mass':114.904,'SL':[   .400,      0],'SA':        202.},
    'Sn_':   {'Mass': 118.69,'SL':[  .6225,      0],'SA':        .626},
    'Sb_':   {'Mass': 121.75,'SL':[   .557,      0],'SA':        4.91},
    'Te_':   {'Mass': 127.60,'SL':[   .568,      0],'SA':         4.7},
    'I_':    {'Mass':126.904,'SL':[   .528,      0],'SA':        6.15},
    'I_127': {'Mass':126.904,'SL':[   .528,      0],'SA':        6.15},
    'Xe_':   {'Mass': 131.30,'SL':[   .469,      0],'SA':        23.9},
    'Cs_':   {'Mass':132.905,'SL':[   .542,      0],'SA':        29.0},
    'Cs_133':{'Mass':132.905,'SL':[   .542,      0],'SA':        29.0},
    'Ba_':   {'Mass': 137.33,'SL':[   .507,      0],'SA':         1.1},
    'La_':   {'Mass':138.906,'SL':[   .824,      0],'SA':        8.97},
    'Ce_':   {'Mass': 140.12,'SL':[   .484,      0],'SA':         .63},
    'Pr_':   {'Mass':140.908,'SL':[   .458,      0],'SA':        11.5},
    'Pr_141':{'Mass':140.908,'SL':[   .458,      0],'SA':        11.5},
    'Nd_':   {'Mass': 144.24,'SL':[   .769,      0],'SA':        50.5},
    'Pm_147':{'Mass':   147.,'SL':[   1.26,      0],'SA':       168.4},
    'Sm_':   {'Mass':  150.4,'SL':[      0,      0],
        'BW-LS':[0.4099,30.1,949.4,97.75,65.14,0,0,0,0,]},
    'Sm_149':{'Mass':148.917,'SL':[      0,      0],
        'BW-LS':[0.4704,216.4,6830.,97.74,65.15,0,0,0,0,]},
    'Sm_152':{'Mass':151.920,'SL':[   -.50,      0],'SA':        206.},
    'Sm_154':{'Mass':153.922,'SL':[   .897,      0],'SA':         8.4},     #Correct value from Nicolas Zapp
    'Eu_':   {'Mass': 151.96,'SL':[      0,      0],
        'BW-LS':[0.7551,8.553,385.5,321,87.32,7.141,459.7,1.253,-30.96,]},
    'Eu_151':{'Mass':150.920,'SL':[      0,      0],
        'BW-LS':[0.7306,17.88,806.6,321,87.35,7.137,459.6,1.217,-30.55,]},
    'Eu_153':{'Mass':152.921,'SL':[   .822,      0],'SA':        312.},
    'Gd_':   {'Mass': 157.25,'SL':[      0,      0],
        'BW-LS':[0.6794,72.72,3866.,30.4,105.6,0,0,0,0,]},
    'Gd_155':{'Mass':154.923,'SL':[      0,      0],
        'BW-LS':[0.682,88.74,4672.,28.07,105.1,0,0,0,0,]},
    'Gd_157':{'Mass':156.924,'SL':[      0,      0],
        'BW-LS':[0.6429,379.9,2.018e+04,31.02,105.7,0,0,0,0,]},
    'Gd_160':{'Mass':159.927,'SL':[   .915,      0],'SA':         .77},
    'Tb_':  {'Mass':158.925,'SL':[   .734,      0],'SA':        23.4},
    'Tb_159':{'Mass':158.925,'SL':[   .734,      0],'SA':        23.4},
    'Dy_':   {'Mass': 162.50,'SL':[   1.69,      0],'SA':        994.},
    'Ho_':   {'Mass':164.930,'SL':[   .844,      0],'SA':        64.7},
    'Ho_165':{'Mass':164.930,'SL':[   .844,      0],'SA':        64.7},
    'Er_':   {'Mass': 167.26,'SL':[      0,      0],
        'BW-LS':[0.8525,12.08,523.5,460.3,88.08,0.6522,584.4,0,0,]},
    'Er_167':{'Mass':166.932,'SL':[      0,      0],
        'BW-LS':[0.5635,52.42,2282.,460.2,87.93,0.6481,584.2,0,0,]},
    'Tm_':   {'Mass':168.934,'SL':[   .707,      0],'SA':        100.},
    'Tm_169':{'Mass':168.934,'SL':[   .707,      0],'SA':        100.},
    'Yb_':   {'Mass': 173.04,'SL':[      0,      0],
        'BW-LS':[1.227,0.5567,36.2,597.,66.16,0,0,0,0,]},
    'Yb_168':{'Mass':167.934,'SL':[      0,      0],
        'BW-LS':[0.7046,635.2,2.115e+04,597.,66.16,0,0,0,0,]},
    'Lu_':   {'Mass':174.967,'SL':[   .721,      0],'SA':        74.0},
    'Lu_176':{'Mass':175.943,'SL':[      0,      0],
        'BW-LS':[0.8042,25.55,764.5,141.4,60.56,0,0,0,0,]},
    'Hf_':   {'Mass': 178.49,'SL':[   .777,      0],'SA':       104.1},
    'Ta_':   {'Mass':180.948,'SL':[   .691,      0],'SA':        20.6},
    'Ta_181':{'Mass':180.948,'SL':[   .691,      0],'SA':        20.6},
    'W_':    {'Mass': 183.85,'SL':[  .4755,      0],'SA':        18.3},
    'Re_':   {'Mass':186.207,'SL':[    .92,      0],'SA':        89.7},
    'Os_':   {'Mass':  190.2,'SL':[   1.07,      0],'SA':        16.0},
    'Ir_':   {'Mass': 192.22,'SL':[   1.06,      0],'SA':        425.},
    'Pt_':   {'Mass': 195.09,'SL':[    .96,      0],'SA':        10.3},
    'Au_':   {'Mass':196.967,'SL':[   .790,      0],'SA':       98.65},
    'Au_197':{'Mass':196.967,'SL':[   .790,      0],'SA':       98.65},
    'Hg_':   {'Mass': 200.59,'SL':[  1.266,      0],'SA':       372.3},
    'Tl_':   {'Mass': 204.37,'SL':[  .8776,      0],'SA':        3.43},
    'Pb_':   {'Mass':  207.2,'SL':[  .9401,      0],'SA':        .171},
    'Bi_':   {'Mass':208.980,'SL':[  .8532,      0],'SA':       .0338},
    'Bi_209':{'Mass':208.980,'SL':[  .8532,      0],'SA':       .0338},
    'Po_209':{'Mass':208.982,'SL':[     .8,      0],'SA':         .03},
    'At_210':{'Mass': 210.00,'SL':[     .8,      0],'SA':           0},
    'Rn_222':{'Mass':222.018,'SL':[     .8,      0],'SA':         .72},
    'Fr_223':{'Mass': 223.00,'SL':[     .8,      0],'SA':           0},
    'Ra_226':{'Mass':226.025,'SL':[    1.0,      0],'SA':        12.8},
    'Ac_227':{'Mass':227.028,'SL':[     .8,      0],'SA':        515.},
    'Th_':   {'Mass':232.038,'SL':[  1.031,      0],'SA':        7.37},
    'Th_232':{'Mass':232.038,'SL':[  1.031,      0],'SA':        7.37},
    'Pa_':   {'Mass':231.036,'SL':[   0.91,      0],'SA':       200.6},
    'Pa_231':{'Mass':231.036,'SL':[   0.91,      0],'SA':       200.6},
    'U_':    {'Mass':238.029,'SL':[  .8417,      0],'SA':        7.57},
    'U_235': {'Mass':235.044,'SL':[   1.05,      0],'SA':       680.9},
    'U_238': {'Mass':238.051,'SL':[  .8407,      0],'SA':        2.68},
    'Np_237':{'Mass':237.048,'SL':[  1.055,      0],'SA':       175.9},
    'Pu_239':{'Mass':239.052,'SL':[      0,      0],
        'BW-LS':[  0.896,      22.66, 1156.0, 296.0, 102.00,0,0,0,0]},   #BW
    'Pu_240':{'Mass':240.054,'SL':[      0,      0],
        'BW-LS':[  0.874,      515.8, 8356., 1057., 32.4,0,0,0,0]},   #BW
    'Pu_242':{'Mass':242.059,'SL':[    .81,      0],'SA':        18.5},
    'Am_243':{'Mass':243.061,'SL':[    .83,      0],'SA':        75.3},
    'Cm_244':{'Mass':244.063,'SL':[    .95,      0],'SA':        16.2},
    'Bk_247':{'Mass':247.070,'SL':[     .8,      0],'SA':           0},
    'Cf_249':{'Mass':249.075,'SL':[     .8,      0],'SA':           0},
    'Va_':   {'Mass':0.0,'SL':[0.0,0],'SA':0},
    'Q_':    {'Mass':0.0,'SL':[0.0,0],'SA':0},
        }
MagFF = {
#neutron magnetic form factor coeff: M for j<0> & N for j<2>
    'O':{'M':  [     .2512, 90.030,  .3290, 39.402,   .4235, 14.322,  .0000,   .000, -.0043],
        'N' :  [   10.8172, 51.327, 4.7353, 14.847,   .6071,  4.218,  .0000,   .000,  .0011, 2.00]}, #NB: this is fake!!
    'Sc':{'M':  [     .2512, 90.030,  .3290, 39.402,   .4235, 14.322,  .0000,   .000, -.0043],
        'N' :  [   10.8172, 51.327, 4.7353, 14.847,   .6071,  4.218,  .0000,   .000,  .0011, 2.00]},
    'Sc+1':{'M':[     .4889, 51.160,  .5203, 14.076,  -.0286,   .179,  .0000,   .000,  .0185],
        'N':[    8.5021, 34.285, 3.2116, 10.994,   .4244,  3.605,  .0000,   .000,  .0009, 2.00]},
    'Sc+3':{'M':[     .5048, 31.404,  .5186, 10.990,  -.0241,  1.183,  .0000,   .000,  .0000],
        'N':[    4.3683, 28.654, 3.7231, 10.823,   .6074,  3.668,  .0000,   .000,  .0014, 2.00]},
    'Ti':{'M':  [     .4657, 33.590,  .5490,  9.879,  -.0291,   .323,  .0000,   .000,  .0123],
        'N':  [    4.3583, 36.056, 3.8230, 11.133,   .6855,  3.469,  .0000,   .000,  .0020, 2.00]},
    'Ti+1':{'M':[     .5093, 36.703,  .5032, 10.371,  -.0263,   .311,  .0000,   .000,  .0116],
        'N':[    6.1567, 27.275, 2.6833,  8.983,   .4070,  3.052,  .0000,   .000,  .0011, 2.00]},
    'Ti+2':{'M':[     .5091, 24.976,  .5162,  8.757,  -.0281,   .916,  .0000,   .000,  .0015],
        'N':[    4.3107, 18.348, 2.0960,  6.797,   .2984,  2.548,  .0000,   .000,  .0007, 2.00]},
    'Ti+3':{'M':[     .3571, 22.841,  .6688,  8.931,  -.0354,   .483,  .0000,   .000,  .0099],
        'N':[    3.3717, 14.444, 1.8258,  5.713,   .2470,  2.265,  .0000,   .000,  .0005, 2.00]},
    'V':{'M':   [     .4086, 28.811,  .6077,  8.544,  -.0295,   .277,  .0000,   .000,  .0123],
        'N':   [    3.7600, 21.831, 2.4026,  7.546,   .4464,  2.663,  .0000,   .000,  .0017, 2.00]},
    'V+1':{'M': [     .4444, 32.648,  .5683,  9.097,  -.2285,   .022,  .0000,   .000,  .2150],
        'N': [    4.7474, 23.323, 2.3609,  7.808,   .4105,  2.706,  .0000,   .000,  .0014, 2.00]},
    'V+2':{'M': [     .4085, 23.853,  .6091,  8.246,  -.1676,   .041,  .0000,   .000,  .1496],
        'N': [    3.4386, 16.530, 1.9638,  6.141,   .2997,  2.267,  .0000,   .000,  .0009, 2.00]},
    'V+3':{'M': [     .3598, 19.336,  .6632,  7.617,  -.3064,   .030,  .0000,   .000,  .2835],
        'N': [    2.3005, 14.682, 2.0364,  6.130,   .4099,  2.382,  .0000,   .000,  .0014, 2.00]},
    'V+4':{'M': [     .3106, 16.816,  .7198,  7.049,  -.0521,   .302,  .0000,   .000,  .0221],
        'N': [    1.8377, 12.267, 1.8247,  5.458,   .3979,  2.248,  .0000,   .000,  .0012, 2.00]},
    'Cr':{'M':  [     .1135, 45.199,  .3481, 19.493,   .5477,  7.354,  .0000,   .000, -.0092],
        'N':  [    3.4085, 20.127, 2.1006,  6.802,   .4266,  2.394,  .0000,   .000,  .0019, 2.00]},
    'Cr+1':{'M':[    -.0977,   .047,  .4544, 26.005,   .5579,  7.489,  .0000,   .000,  .0831],
        'N':[    3.7768, 20.346, 2.1028,  6.893,   .4010,  2.411,  .0000,   .000,  .0017, 2.00]},
    'Cr+2':{'M':[    1.2024,  -.005,  .4158, 20.548,   .6032,  6.956,  .0000,   .000,-1.2218],
        'N':[    2.6422, 16.060, 1.9198,  6.235,   .4446,  2.372,  .0000,   .000,  .0020, 2.00]},
    'Cr+3':{'M':[    -.3094,   .027,  .3680, 17.035,   .6559,  6.524,  .0000,   .000,  .2856],
        'N':[    1.6262, 15.066, 2.0618,  6.284,   .5281,  2.368,  .0000,   .000,  .0023, 2.00]},
    'Cr+4':{'M':[    -.2320,   .043,  .3101, 14.952,   .7182,  6.173,  .0000,   .000,  .2042],
        'N':[    1.0293, 13.950, 1.9933,  6.059,   .5974,  2.346,  .0000,   .000,  .0027, 2.00]},
    'Mn':{'M':  [     .2438, 24.963,  .1472, 15.673,   .6189,  6.540,  .0000,   .000, -.0105],
        'N':  [    2.6681, 16.060, 1.7561,  5.640,   .3675,  2.049,  .0000,   .000,  .0017, 2.00]},
    'Mn+1':{'M':[    -.0138,   .421,  .4231, 24.668,   .5905,  6.655,  .0000,   .000, -.0010],
        'N':[    3.2953, 18.695, 1.8792,  6.240,   .3927,  2.201,  .0000,   .000,  .0022, 2.00]},
    'Mn+2':{'M':[     .4220, 17.684,  .5948,  6.005,   .0043,  -.609,  .0000,   .000, -.0219],
        'N':[    2.0515, 15.556, 1.8841,  6.063,   .4787,  2.232,  .0000,   .000,  .0027, 2.00]},
    'Mn+3':{'M':[     .4198, 14.283,  .6054,  5.469,   .9241,  -.009,  .0000,   .000, -.9498],
        'N':[    1.2427, 14.997, 1.9567,  6.118,   .5732,  2.258,  .0000,   .000,  .0031, 2.00]},
    'Mn+4':{'M':[     .3760, 12.566,  .6602,  5.133,  -.0372,   .563,  .0000,   .000,  .0011],
        'N':[     .7879, 13.886, 1.8717,  5.743,   .5981,  2.182,  .0000,   .000,  .0034, 2.00]},
    'Fe':{'M':  [     .0706, 35.008,  .3589, 15.358,   .5819,  5.561,  .0000,   .000, -.0114],
        'N':  [    1.9405, 18.473, 1.9566,  6.323,   .5166,  2.161,  .0000,   .000,  .0036, 2.00]},
    'Fe+1':{'M':[     .1251, 34.963,  .3629, 15.514,   .5223,  5.591,  .0000,   .000, -.0105],
        'N':[    2.6290, 18.660, 1.8704,  6.331,   .4690,  2.163,  .0000,   .000,  .0031, 2.00]},
    'Fe+2':{'M':[     .0263, 34.960,  .3668, 15.943,   .6188,  5.594,  .0000,   .000, -.0119],
        'N':[    1.6490, 16.559, 1.9064,  6.133,   .5206,  2.137,  .0000,   .000,  .0035, 2.00]},
    'Fe+3':{'M':[     .3972, 13.244,  .6295,  4.903,  -.0314,   .350,  .0000,   .000,  .0044],
        'N':[    1.3602, 11.998, 1.5188,  5.003,   .4705,  1.991,  .0000,   .000,  .0038, 2.00]},
    'Fe+4':{'M':[     .3782, 11.380,  .6556,  4.592,  -.0346,   .483,  .0000,   .000,  .0005],
        'N':[    1.5582,  8.275, 1.1863,  3.279,   .1366,  1.107,  .0000,   .000, -.0022, 2.00]},
    'Co':{'M':  [     .4139, 16.162,  .6013,  4.780,  -.1518,   .021,  .0000,   .000,  .1345],
        'N':  [    1.9678, 14.170, 1.4911,  4.948,   .3844,  1.797,  .0000,   .000,  .0027, 2.00]},
    'Co+1':{'M':[     .0990, 33.125,  .3645, 15.177,   .5470,  5.008,  .0000,   .000, -.0109],
        'N':[    2.4097, 16.161, 1.5780,  5.460,   .4095,  1.914,  .0000,   .000,  .0031, 2.00]},
    'Co+2':{'M':[     .4332, 14.355,  .5857,  4.608,  -.0382,   .134,  .0000,   .000,  .0179],
        'N':[    1.9049, 11.644, 1.3159,  4.357,   .3146,  1.645,  .0000,   .000,  .0017, 2.00]},
    'Co+3':{'M':[     .3902, 12.508,  .6324,  4.457,  -.1500,   .034,  .0000,   .000,  .1272],
        'N':[    1.7058,  8.859, 1.1409,  3.309,   .1474,  1.090,  .0000,   .000, -.0025, 2.00]},
    'Co+4':{'M':[     .3515, 10.778,  .6778,  4.234,  -.0389,   .241,  .0000,   .000,  .0098],
        'N':[    1.3110,  8.025, 1.1551,  3.179,   .1608,  1.130,  .0000,   .000, -.0011, 2.00]},
    'Ni':{'M':  [    -.0172, 35.739,  .3174, 14.269,   .7136,  4.566,  .0000,   .000, -.0143],
        'N':  [    1.0302, 12.252, 1.4669,  4.745,   .4521,  1.744,  .0000,   .000,  .0036, 2.00]},
    'Ni+1':{'M':[     .0705, 35.856,  .3984, 13.804,   .5427,  4.397,  .0000,   .000, -.0118],
        'N':[    2.1040, 14.866, 1.4302,  5.071,   .4031,  1.778,  .0000,   .000,  .0034, 2.00]},
    'Ni+2':{'M':[     .0163, 35.883,  .3916, 13.223,   .6052,  4.339,  .0000,   .000, -.0133],
        'N':[    1.7080, 11.016, 1.2147,  4.103,   .3150,  1.533,  .0000,   .000,  .0018, 2.00]},
    'Ni+3':{'M':[     .0012, 35.000,  .3468, 11.987,   .6667,  4.252,  .0000,   .000, -.0148],
        'N':[    1.4683,  8.671,  .1794,  1.106,  1.1068,  3.257,  .0000,   .000, -.0023, 2.00]},
    'Ni+4':{'M':[    -.0090, 35.861,  .2776, 11.790,   .7474,  4.201,  .0000,   .000, -.0163],
        'N':[    1.1612,  7.700, 1.0027,  3.263,   .2719,  1.378,  .0000,   .000,  .0025, 2.00]},
    'Cu':{'M':  [     .0909, 34.984,  .4088, 11.443,   .5128,  3.825,  .0000,   .000, -.0124],
        'N':  [    1.9182, 14.490, 1.3329,  4.730,   .3842,  1.639,  .0000,   .000,  .0035, 2.00]},
    'Cu+1':{'M':[     .0749, 34.966,  .4147, 11.764,   .5238,  3.850,  .0000,   .000, -.0127],
        'N':[    1.8814, 13.433, 1.2809,  4.545,   .3646,  1.602,  .0000,   .000,  .0033, 2.00]},
    'Cu+2':{'M':[     .0232, 34.969,  .4023, 11.564,   .5882,  3.843,  .0000,   .000, -.0137],
        'N':[    1.5189, 10.478, 1.1512,  3.813,   .2918,  1.398,  .0000,   .000,  .0017, 2.00]},
    'Cu+3':{'M':[     .0031, 34.907,  .3582, 10.914,   .6531,  3.828,  .0000,   .000, -.0147],
        'N':[    1.2797,  8.450, 1.0315,  3.280,   .2401,  1.250,  .0000,   .000,  .0015, 2.00]},
    'Cu+4':{'M':[    -.0132, 30.682,  .2801, 11.163,   .7490,  3.817,  .0000,   .000, -.0165],
        'N':[     .9568,  7.448,  .9099,  3.396,   .3729,  1.494,  .0000,   .000,  .0049, 2.00]},
    'Y':{'M':   [     .5915, 67.608, 1.5123, 17.900, -1.1130, 14.136,  .0000,   .000,  .0080],
        'N':   [   14.4084, 44.658, 5.1045, 14.904,  -.0535,  3.319,  .0000,   .000,  .0028, 2.00]},
    'Zr':{'M':  [     .4106, 59.996, 1.0543, 18.648,  -.4751, 10.540,  .0000,   .000,  .0106],
        'N':  [   10.1378, 35.337, 4.7734, 12.545,  -.0489,  2.672,  .0000,   .000,  .0036, 2.00]},
    'Zr+1':{'M':[     .4532, 59.595,  .7834, 21.436,  -.2451,  9.036,  .0000,   .000,  .0098],
        'N':[   11.8722, 34.920, 4.0502, 12.127,  -.0632,  2.828,  .0000,   .000,  .0034, 2.00]},
    'Nb':{'M':  [     .3946, 49.230, 1.3197, 14.822,  -.7269,  9.616,  .0000,   .000,  .0129],
        'N':  [    7.4796, 33.179, 5.0884, 11.571,  -.0281,  1.564,  .0000,   .000,  .0047, 2.00]},
    'Nb+1':{'M':[     .4572, 49.918, 1.0274, 15.726,  0.4962,  9.157,  .0000,   .000,  .0118],
        'N':[    8.7735, 33.285, 4.6556, 11.605,  -.0268,  1.539,  .0000,   .000,  .0044, 2.00]},
    'Mo':{'M':  [     .1806, 49.057, 1.2306, 14.786,  -.4268,  6.987,  .0000,   .000,  .0171],
        'N':  [    5.1180, 23.422, 4.1809,  9.208,  -.0505,  1.743,  .0000,   .000,  .0053, 2.00]},
    'Mo+1':{'M':[     .3500, 48.035, 1.0305, 15.060,  0.3929,  7.479,  .0000,   .000,  .0139],
        'N':[    7.2367, 28.128, 4.0705,  9.923,  -.0317,  1.455,  .0000,   .000,  .0049, 2.00]},
    'Tc':{'M':  [     .1298, 49.661, 1.1656, 14.131,  -.3134,  5.513,  .0000,   .000,  .0195],
        'N':  [    4.2441, 21.397, 3.9439,  8.375,  -.0371,  1.187,  .0000,   .000,  .0066, 2.00]},
    'Tc+1':{'M':[     .2674, 48.957,  .9569, 15.141,  -.2387,  5.458,  .0000,   .000,  .0160],
        'N':[    6.4056, 24.824, 3.5400,  8.611,  -.0366,  1.485,  .0000,   .000,  .0044, 2.00]},
    'Ru':{'M':  [     .1069, 49.424, 1.1912, 12.742,  -.3176,  4.912,  .0000,   .000,  .0213],
        'N':  [    3.7445, 18.613, 3.4749,  7.420,  -.0363,  1.007,  .0000,   .000,  .0073, 2.00]},
    'Ru+1':{'M':[     .4410, 33.309, 1.4775,  9.553,  -.9361,  6.722,  .0000,   .000,  .0176],
        'N':[    5.2826, 23.683, 3.5813,  8.152,  -.0257,   .426,  .0000,   .000,  .0131, 2.00]},
    'Rh':{'M':  [     .0976, 49.882, 1.1601, 11.831,  -.2789,  4.127,  .0000,   .000,  .0234],
        'N':  [    3.3651, 17.344, 3.2121,  6.804,  -.0350,   .503,  .0000,   .000,  .0146, 2.00]},
    'Rh+1':{'M':[     .3342, 29.756, 1.2209,  9.438,  -.5755,  5.332,  .0000,   .000,  .0210],
        'N':[    4.0260, 18.950, 3.1663,  7.000,  -.0296,   .486,  .0000,   .000,  .0127, 2.00]},
    'Pd':{'M':  [     .2003, 29.363, 1.1446,  9.599,  -.3689,  4.042,  .0000,   .000,  .0251],
        'N':  [    3.3105, 14.726, 2.6332,  5.862,  -.0437,  1.130,  .0000,   .000,  .0053, 2.00]},
    'Pd+1':{'M':[     .5033, 24.504, 1.9982,  6.908, -1.5240,  5.513,  .0000,   .000,  .0213],
        'N':[    4.2749, 17.900, 2.7021,  6.354,  -.0258,   .700,  .0000,   .000,  .0071, 2.00]},
    #3rd row transition elements - take the 6s0 configs.
    'Hf':{'M':[0.4229, 50.465, 0.7333, 23.865, 0.3798 ,4.051, 0.2252, 2.497, 0.0018],
        'N':[9.6670, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.00]},      #really Hf2+
    'Hf+2':{'M':[0.4229, 50.465, 0.7333, 23.865, 0.3798 ,4.051, 0.2252, 2.497, 0.0018],
        'N':[9.6670, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.00]},
    'Hf+3':{'M':[0.3555, 40.954, 0.8483, 21.726, 0.4116, 4.305, 0.2101, 2.349, 0.0023],
        'N':[7.5646, 27.367, 5.0743, 12.402, 0.4133, 1.742, 0.3163, 1.437, 0.0012, 2.00]},
    'Ta':{'M':[0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.570, 0.0020],
        'N':[8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.00]},      #really Ta+2
    'Ta+2':{'M':[0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.570, 0.0020],
        'N':[8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.00]},
    'Ta+3':{'M':[0.3611, 36.921, 0.8579, 19.195, 0.4945, 3.857, 0.2781, 2.303, 0.0026],
        'N':[6.5998, 25.026, 4.7913, 11.303, 0.7801, 1.529, 0.6820, 1.382, 0.0019, 2.00]},
    'Ta+4':{'M':[0.3065, 31.817, 0.9611, 17.749, 0.5463, 3.979, 0.2816, 2.232, 0.0030],
        'N':[5.5048, 21.620, 4.6734, 10.556, 0.2181, 2.100, 0.0810, 1.049, 0.0016, 2.00]},
    'W':{'M':[0.3990, 73.810, 0.7138, 22.815, 2.0436, 2.710, 1.9319, 2.559, 0.0023],
        'N':[8.4216, 64.652, 7.6983, 23.124, 2.3605, 8.583, 0.3876, 4.620, 0.0033, 2.00]},
    'W+1':{'M':[0.4077, 51.367, 0.7436, 20.256, 9.8283, 2.780, 9.6788, 2.740, 0.0021],
        'N':[5.6854, 44.743, 6.8903, 18.753, 7.8523, 6.308, 6.3447, 5.842, 0.0038, 2.00]},
    'W+2':{'M':[0.3876, 40.340, 0.8008, 18.621, 1.3911, 2.995, 1.2048, 2.627, 0.0023],
        'N':[7.0301, 26.990, 4.6604, 11.083, 0.8220, 1.145, 0.7581, 1.042, 0.0068, 2.00]},
    'W+3':{'M':[0.3610, 33.519, 0.8717, 17.176, 0.6183, 3.445, 0.3883, 2.276, 0.0028],
        'N':[5.8036, 22.969, 4.5243, 10.361, 0.7897, 1.388, 0.6927, 1.248, 0.0031, 2.00]},
    'W+4':{'M':[0.3221, 29.047, 0.9574, 15.979, 0.6287, 3.597, 0.3525, 2.174, 0.0033],
        'N':[4.9006, 20.117, 4.4360, 9.765, 2.0009, 1.497, 1.8714, 1.431, 0.0014, 2.00]},
    'W+5':{'M':[0.2725, 25.966, 1.0558, 14.954, 0.6990, 3.643, 0.3745, 2.145, 0.0037],
        'N':[4.1973, 17.967, 4.3791, 9.255, 1.8830, 1.603, 1.7205, 1.518, 0.000, 2.00]},
    'Re':{'M':[0.3807, 63.042, 0.7497, 19.967, 6.5300, 2.501, 6.4013, 2.451, 0.0028],
        'N':[6.7574, 55.529, 6.7931, 20.125, 2.3113, 7.529, 0.5004, 4.412, 0.0037, 2.00]},
    'Re+1':{'M':[0.3944, 45.427, 0.7742, 17.948, 3.1692, 2.653, 3.0028, 2.521, 0.0026],
        'N':[4.7231, 40.130, 6.2139, 16.902, 8.8240, 5.766, 7.3608, 5.396, 0.0042, 2.00]},
    'Re+2':{'M':[0.3825, 36.336, 0.8218, 16.636, 8.7220, 2.657, 8.5201, 2.601, 0.0026],
        'N':[3.0708, 33.896, 5.9941, 15.817, 6.7816, 5.768, 5.2056, 5.231, 0.0047, 2.00]},
    'Re+3':{'M':[0.3585, 30.671, 0.8863, 15.527, 0.8682, 3.047, 0.6263, 2.280, 0.0030],
        'N':[1.7870, 31.248, 5.9068, 15.160, 17.4262, 5.551, 15.6856, 5.339, 0.0053, 2.00]},
    'Re+4':{'M':[0.2974, 27.372, 0.9826, 14.807, 1.8869, 2.840, 1.6100, 2.476, 0.0031],
        'N':[4.4033, 18.733, 4.1971, 9.047, 2.3106, 1.352, 2.1866, 1.299, 0.0025, 2.00]},
    'Re+5':{'M':[0.3143, 23.522, 1.0276, 13.505, 0.7438, 3.393, 0.4059, 2.030, 0.0041],
        'N':[3.8162, 16.843, 4.1400, 8.605, 4.0882, 1.443, 3.9333, 1.408, 0.0012, 2.00]},
    'Re+6':{'M':[0.2146, 22.496, 1.1616, 13.064, 1.0455, 3.162, 0.6734, 2.196, 0.0041],
        'N':[3.3349, 15.341, 4.1015, 8.213, 2.3511, 1.531, 2.1651, 1.459, 0.0003, 2.00]},
    'Os':{'M':[0.3676, 54.835, 0.7793, 17.716, 2.0669, 2.418, 1.9224, 2.247, 0.0034],
        'N':[5.5418, 48.893, 6.0803, 17.984, 2.2542, 6.853, 0.5285, 4.095, 0.0040, 2.00]},
    'Os+1':{'M':[0.3837, 40.665, 0.8006, 16.096, 3.5305, 2.487, 3.3488, 2.366, 0.0030],
        'N':[4.0236, 36.272, 5.6349, 15.338, 8.6568, 5.318, 7.2505, 4.980, 0.0044, 2.00]},
    'Os+2':{'M':[0.3786, 33.005, 0.8412, 14.990, 7.0632, 2.503, 6.8462, 2.433, 0.0030],
        'N':[2.7289, 30.900, 5.4357, 14.396, 18.6546, 5.151, 17.1708, 4.993, 0.0050, 2.00]},
    'Os+3':{'M':[0.3557, 28.222, 0.9002, 14.140, 2.5972, 2.601, 2.3444, 2.376, 0.0032],
        'N':[4.5913, 19.692, 4.0615, 8.862, 0.9950, 1.086, 0.9081, 0.986, 0.0077, 2.00]},
    'Os+4':{'M':[0.3337, 24.723, 0.9655, 13.288, 0.9653, 2.906, 0.6698, 2.117, 0.0037],
        'N':[3.9724, 17.514, 3.9817, 8.421, 0.7719, 1.264, 0.6552, 1.107, 0.0042, 2.00]},
    'Os+5':{'M':[0.3055, 22.152, 1.0395, 12.529, 0.9158, 3.016, 0.5750, 2.032, 0.0042],
        'N':[3.4764, 15.826, 3.9241, 8.032, 0.6854, 1.397, 0.5394, 1.184, 0.0024, 2.00]},
    'Os+6':{'M':[0.2714, 20.218, 1.1211, 11.851, 0.9773, 3.050, 0.5894, 2.005, 0.004],
        'N':[3.0642, 14.479, 3.8847, 7.686, 4.7235, 1.384, 4.5485, 1.352, 0.0012, 2.00]},
    'Os+7':{'M':[0.2101, 19.108, 1.2240, 11.347, 1.2543, 2.933, 0.8250, 2.088, 0.0048],
        'N':[2.7164, 13.366, 3.8554, 7.370, 5.0211, 1.439, 4.8166, 1.405, 0.0004, 2.00]},
    'Ir':{'M':[0.3564, 48.464, 0.8049, 15.923, 2.5258, 2.265, 2.3675, 2.121, 0.0040],
        'N':[4.6102, 43.878, 5.4892, 16.394, 2.1707, 6.423, 0.4761, 3.722, 0.0043, 2.00]},
    'Ir+1':{'M':[0.3744, 36.764, 0.8240, 14.576, 8.8616, 2.303, 8.6664, 2.255, 0.0035],
        'N':[3.4956, 32.991, 5.1369, 13.998, 8.3991, 4.924, 7.0561, 4.612, 0.0047, 2.00]},
    'Ir+2':{'M':[0.3802, 30.032, 0.8550, 13.567, 1.6185, 2.488, 1.3866, 2.162, 0.0035],
        'N':[2.4419, 28.356, 4.9470, 13.222, 4.7478, 5.029, 3.3259, 4.393, 0.0052, 2.00]},
    'Ir+3':{'M':[0.3678, 25.828, 0.9065, 12.788, 0.8587, 2.745, 0.5883, 1.960, 0.0040],
        'N':[1.5883, 25.969, 4.8472, 12.711, 5.6507, 4.949, 4.1190, 4.388, 0.0056, 2.00]},
    'Ir+4':{'M':[0.3969, 22.050, 0.9310, 11.768, 0.7090, 3.017, 0.3857, 1.778, 0.0047],
        'N':[3.5964, 16.439, 3.7872, 7.873, 1.2303, 1.092, 1.1232, 1.003, 0.0068, 2.00]},
    'Ir+5':{'M':[0.3059, 20.759, 1.0432, 11.622, 1.3457, 2.655, 1.0008, 2.066, 0.0043],
        'N':[3.1710, 14.923, 3.7320, 7.529, 1.5400, 1.200, 1.4048, 1.119, 0.0040, 2.00]},
    'Ir+6':{'M':[0.2854, 18.867, 1.1123, 10.982, 1.1403, 2.782, 0.7475, 1.959, 0.004],
        'N':[2.8163, 13.697, 3.6906, 7.219, 5.2957, 1.254, 5.1328, 1.228, 0.0024, 2.00]},
    'Pt':{'M':[0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041],
        'N':[3.0783, 30.198, 4.7065, 12.857, 5.7270, 4.650, 4.4425, 4.222, 0.004, 2.00]},       #really Pt+1
    'Pt+1':{'M':[0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041],
        'N':[3.0783, 30.198, 4.7065, 12.857, 5.7270, 4.650, 4.4425, 4.222, 0.004, 2.00]},
    'Pt+2':{'M':[0.3701, 27.799, 0.8761, 12.480, 3.2959, 2.258, 3.0535, 2.106, 0.004],
        'N':[2.2407, 26.003, 4.5300, 12.118, 6.7189, 4.557, 5.3954, 4.187, 0.0053, 2.00]},
    'Pt+3':{'M':[0.3606, 24.052, 0.9205, 11.833, 4.0612, 2.271, 3.7841, 2.133, 0.0041],
        'N':[1.5391, 23.689, 4.4263, 11.645, 8.5673, 4.482, 7.1591, 4.181, 0.0057, 2.00]},
    'Pt+4':{'M':[0.3429, 21.358, 0.9753, 11.261, 2.2859, 2.357, 1.9719, 2.074, 0.0043],
        'N':[0.9477, 22.775, 4.3337, 11.319, 7.2374, 4.500, 5.7086, 4.106, 0.0062, 2.00]},
    'Pt+5':{'M':[0.3649, 18.762, 1.0102, 10.456, 0.8785, 2.765, 0.5087, 1.737, 0.0053],
        'N':[0.5132, 23.124, 4.1835, 11.009, 7.4312, 4.478, 5.7759, 4.065, 0.0066, 2.00]},
    'Pt+6':{'M':[0.2877, 17.780, 1.1111, 10.263, 1.9416, 2.432, 1.5477, 2.015, 0.0049],
        'N':[2.5907, 12.991, 3.5155, 6.801, 0.7511, 1.206, 0.6014, 1.022, 0.0043, 2.00]},
    'Au':{'M':[0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047],
        'N':[2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.00]},      #really Au+1
    'Au+1':{'M':[0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047],
        'N':[2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.00]},
    'Au+2':{'M':[0.3664, 25.714, 0.8919, 11.488, 1.7302, 2.207, 1.4763, 1.908, 0.0046],
        'N':[2.0676, 23.960, 4.1678, 11.164, 13.3827, 4.151, 12.1447, 3.996, 0.0054, 2.00]},
    'Au+3':{'M':[0.3639, 22.330, 0.9313, 10.883, 1.1359, 2.355, 0.8455, 1.809, 0.004],
        'N':[1.4776, 21.784, 4.0585, 10.746, 5.9059, 4.242, 4.5905, 3.842, 0.0058, 2.00]},
    'Au+4':{'M':[0.3472, 19.944, 0.9807, 10.424, 3.8228, 2.169, 3.4995, 2.009, 0.0047],
        'N':[2.9775, 14.632, 3.4472, 6.956, 1.9784, 0.794, 1.8980, 0.745, 0.0182, 2.00]},
    'Au+5':{'M':[0.3292, 18.073, 1.0376, 9.957 , 2.2028, 2.257, 1.8410, 1.938, 0.0050],
        'N':[0.5763, 20.517, 3.8572, 10.171, 6.0222, 4.213, 4.5020, 3.760, 0.0067, 2.00]},
        
            
    
    'Ce':{'M':[     .2953, 17.685,  .2923,  6.733,   .4313,  5.383,  .0000,   .000, -.0194],
        'N':[     .9809, 18.063, 1.8413,  7.769,   .9905,  2.845,  .0000,   .000,  .0120, 2.00]},       #really Ce+2
    'Ce+2':{'M':[   .2953, 17.685,  .2923,  6.733,   .4313,  5.383,  .0000,   .000, -.0194],
        'N':[     .9809, 18.063, 1.8413,  7.769,   .9905,  2.845,  .0000,   .000,  .0120, 2.00]},
    'Pr':{'M':[    .050, 24.999,  0.257, 12.038,    .714,  5.004, -0.022,   .084,  .0000],              #really Pr+3 - from J2K
        'N':[     .873,  18.988, 1.559,   6.087,   .814,   2.415,   .011,   .044,  .0000, 2.00]},
    'Pr+3':{'M':[    .050, 24.999,  0.257, 12.038,    .714,  5.004, -0.022,   .084,  .0000],
        'N':[     .873,  18.988, 1.559,   6.087,   .814,   2.415,   .011,   .044,  .0000, 2.00]},
    'Nd':{'M':[     .1645, 25.045,  .2522, 11.978,   .6012,  4.946,  .0000,   .000, -.0180],
        'N':[    1.4530, 18.340, 1.6196,  7.285,   .8752,  2.622,  .0000,   .000,  .0126, 2.00]},       #really Nd+2
    'Nd+2':{'M':[     .1645, 25.045,  .2522, 11.978,   .6012,  4.946,  .0000,   .000, -.0180],
        'N':[    1.4530, 18.340, 1.6196,  7.285,   .8752,  2.622,  .0000,   .000,  .0126, 2.00]},
    'Nd+3':{'M':[     .0540, 25.029,  .3101, 12.102,   .6575,  4.722,  .0000,   .000, -.0216],
        'N':[     .6751, 18.342, 1.6272,  7.260,   .9644,  2.602,  .0000,   .000,  .0150, 2.00]},
    'Sm':{'M':[     .0909, 25.203,  .3037, 11.856,   .6250,  4.237,  .0000,   .000, -.0200],
        'N':[    1.0360, 18.425, 1.4769,  7.032,   .8810,  2.437,  .0000,   .000,  .0152, 2.00]},       #really Sm+2
    'Sm+2':{'M':[     .0909, 25.203,  .3037, 11.856,   .6250,  4.237,  .0000,   .000, -.0200],
        'N':[    1.0360, 18.425, 1.4769,  7.032,   .8810,  2.437,  .0000,   .000,  .0152, 2.00]},
    'Sm+3':{'M':[     .0288, 25.207,  .2973, 11.831,   .6954,  4.212,  .0000,   .000, -.0213],
        'N':[     .4707, 18.430, 1.4261,  7.034,   .9574,  2.439,  .0000,   .000,  .0182, 2.00]},
    'Eu':{'M':[     .0755, 25.296,  .3001, 11.599,   .6438,  4.025,  .0000,   .000, -.0196],
        'N':[     .8970, 18.443, 1.3769,  7.005,   .9060,  2.421,  .0000,   .000,  .0190, 2.00]},       #really Eu+2
    'Eu+2':{'M':[     .0755, 25.296,  .3001, 11.599,   .6438,  4.025,  .0000,   .000, -.0196],
        'N':[     .8970, 18.443, 1.3769,  7.005,   .9060,  2.421,  .0000,   .000,  .0190, 2.00]},
    'Eu+3':{'M':[     .0204, 25.308,  .3010, 11.474,   .7005,  3.942,  .0000,   .000, -.0220],
        'N':[     .3985, 18.451, 1.3307,  6.956,   .9603,  2.378,  .0000,   .000,  .0197, 2.00]},
    'Gd':{'M':[     .0636, 25.382,  .3033, 11.212,   .6528,  3.788,  .0000,   .000, -.0199],
        'N':[     .7756, 18.469, 1.3124,  6.899,   .8956,  2.338,  .0000,   .000,  .0199, 2.00]},       #really Gd+2
    'Gd+2':{'M':[     .0636, 25.382,  .3033, 11.212,   .6528,  3.788,  .0000,   .000, -.0199],
        'N':[     .7756, 18.469, 1.3124,  6.899,   .8956,  2.338,  .0000,   .000,  .0199, 2.00]},
    'Gd+3':{'M':[     .0186, 25.387,  .2895, 11.142,   .7135,  3.752,  .0000,   .000, -.0217],
        'N':[     .3347, 18.476, 1.2465,  6.877,   .9537,  2.318,  .0000,   .000,  .0217, 2.00]},
    'Tb':{'M':[     .0547, 25.509,  .3171, 10.591,   .6490,  3.517,  .0000,   .000, -.0212],
        'N':[     .6688, 18.491, 1.2487,  6.822,   .8888,  2.275,  .0000,   .000,  .0215, 2.00]},       #really Tb+2
    'Tb+2':{'M':[     .0547, 25.509,  .3171, 10.591,   .6490,  3.517,  .0000,   .000, -.0212],
        'N':[     .6688, 18.491, 1.2487,  6.822,   .8888,  2.275,  .0000,   .000,  .0215, 2.00]},
    'Tb+3':{'M':[     .0177, 25.510,  .2921, 10.577,   .7133,  3.512,  .0000,   .000, -.0231],
        'N':[     .3347, 18.476, 1.2465,  6.877,   .9537,  2.318,  .0000,   .000,  .0217, 2.00]},
    'Dy':{'M':[     .1308, 18.316,  .3118,  7.665,   .5795,  3.147,  .0000,   .000, -.0226],
        'N':[     .5917, 18.511, 1.1828,  6.747,   .8801,  2.214,  .0000,   .000,  .0229, 2.00]},       #really Dy+2
    'Dy+2':{'M':[     .1308, 18.316,  .3118,  7.665,   .5795,  3.147,  .0000,   .000, -.0226],
        'N':[     .5917, 18.511, 1.1828,  6.747,   .8801,  2.214,  .0000,   .000,  .0229, 2.00]},
    'Dy+3':{'M':[     .1157, 15.073,  .3270,  6.799,   .5821,  3.020,  .0000,   .000, -.0249],
        'N':[     .2523, 18.517, 1.0914,  6.736,   .9345,  2.208,  .0000,   .000,  .0250, 2.00]},
    'Ho':{'M':[     .0995, 18.176,  .3305,  7.856,   .5921,  2.980,  .0000,   .000, -.0230],
        'N':[     .5094, 18.515, 1.1234,  6.706,   .8727,  2.159,  .0000,   .000,  .0242, 2.00]},       #really Ho+2
    'Ho+2':{'M':[     .0995, 18.176,  .3305,  7.856,   .5921,  2.980,  .0000,   .000, -.0230],
        'N':[     .5094, 18.515, 1.1234,  6.706,   .8727,  2.159,  .0000,   .000,  .0242, 2.00]},
    'Ho+3':{'M':[     .0566, 18.318,  .3365,  7.688,   .6317,  2.943,  .0000,   .000, -.0248],
        'N':[     .2188, 18.516, 1.0240,  6.707,   .9251,  2.161,  .0000,   .000,  .0268, 2.00]},
    'Er':{'M':[     .1122, 18.122,  .3462,  6.911,   .5649,  2.761,  .0000,   .000, -.0235],
        'N':[     .4693, 18.528, 1.0545,  6.649,   .8679,  2.120,  .0000,   .000,  .0261, 2.00]},       #really Er+2
    'Er+2':{'M':[     .1122, 18.122,  .3462,  6.911,   .5649,  2.761,  .0000,   .000, -.0235],
        'N':[     .4693, 18.528, 1.0545,  6.649,   .8679,  2.120,  .0000,   .000,  .0261, 2.00]},
    'Er+3':{'M':[     .0586, 17.980,  .3540,  7.096,   .6126,  2.748,  .0000,   .000, -.0251],
        'N':[     .1710, 18.534,  .9879,  6.625,   .9044,  2.100,  .0000,   .000,  .0278, 2.00]},
    'Tm':{'M':[     .0983, 18.324,  .3380,  6.918,   .5875,  2.662,  .0000,   .000, -.0241],
        'N':[     .4198, 18.542,  .9959,  6.600,   .8593,  2.082,  .0000,   .000,  .0284, 2.00]},       #really TTm+2
    'Tm+2':{'M':[     .0983, 18.324,  .3380,  6.918,   .5875,  2.662,  .0000,   .000, -.0241],
        'N':[     .4198, 18.542,  .9959,  6.600,   .8593,  2.082,  .0000,   .000,  .0284, 2.00]},
    'Tm+3':{'M':[     .0581, 15.092,  .2787,  7.801,   .6854,  2.793,  .0000,   .000, -.0224],
        'N':[     .1760, 18.542,  .9105,  6.579,   .8970,  2.062,  .0000,   .000,  .0294, 2.00]},
    'Yb':{'M':[     .0855, 18.512,  .2943,  7.373,   .6412,  2.678,  .0000,   .000, -.0213],
        'N':[     .3852, 18.550,  .9415,  6.551,   .8492,  2.043,  .0000,   .000,  .0301, 2.00]},
    'Yb+2':{'M':[     .0855, 18.512,  .2943,  7.373,   .6412,  2.678,  .0000,   .000, -.0213],          #really Yb+2
        'N':[     .3852, 18.550,  .9415,  6.551,   .8492,  2.043,  .0000,   .000,  .0301, 2.00]},
    'Yb+3':{'M':[     .0416, 16.095,  .2849,  7.834,   .6961,  2.672,  .0000,   .000, -.0229],
        'N':[     .1570, 18.555,  .8484,  6.540,   .8880,  2.037,  .0000,   .000,  .0318, 2.00]},
    'U':{'M': [     .5058, 23.288, 1.3464,  7.003,  -.8724,  4.868,  .0000,   .000,  .0192],
        'N': [    4.1582, 16.534, 2.4675,  5.952,  -.0252,   .765,  .0000,   .000,  .0057, 2.00]},      #really U+3
    'U+3':{'M': [     .5058, 23.288, 1.3464,  7.003,  -.8724,  4.868,  .0000,   .000,  .0192],
        'N': [    4.1582, 16.534, 2.4675,  5.952,  -.0252,   .765,  .0000,   .000,  .0057, 2.00]},
    'U+4':{'M': [     .3291, 23.548, 1.0836,  8.454,  -.4340,  4.120,  .0000,   .000,  .0214],
        'N': [    3.7449, 13.894, 2.6453,  4.863,  -.5218,  3.192,  .0000,   .000,  .0009, 2.00]},
    'U+5':{'M': [     .3650, 19.804, 3.2199,  6.282, -2.6077,  5.301,  .0000,   .000,  .0233],
        'N': [    3.0724, 12.546, 2.3076,  5.231,  -.0644,  1.474,  .0000,   .000,  .0035, 2.00]},
    'Np':{'M':[     .5157, 20.865, 2.2784,  5.893, -1.8163,  4.846,  .0000,   .000,  .0211],
        'N':[    3.7170, 15.133, 2.3216,  5.503,  -.0275,   .800,  .0000,   .000,  .0052, 2.00]},       #really Np+3
    'Np+3':{'M':[     .5157, 20.865, 2.2784,  5.893, -1.8163,  4.846,  .0000,   .000,  .0211],
        'N':[    3.7170, 15.133, 2.3216,  5.503,  -.0275,   .800,  .0000,   .000,  .0052, 2.00]},
    'Np+4':{'M':[     .4206, 19.805, 2.8004,  5.978, -2.2436,  4.985,  .0000,   .000,  .0228],
        'N':[    2.9203, 14.646, 2.5979,  5.559,  -.0301,   .367,  .0000,   .000,  .0141, 2.00]},
    'Np+5':{'M':[     .3692, 18.190, 3.1510,  5.850, -2.5446,  4.916,  .0000,   .000,  .0248],
        'N':[    2.3308, 13.654, 2.7219,  5.494,  -.1357,   .049,  .0000,   .000,  .1224, 2.00]},
    'Np+6':{'M':[     .2929, 17.561, 3.4866,  5.785, -2.8066,  4.871,  .0000,   .000,  .0267],
        'N':[    1.8245, 13.180, 2.8508,  5.407,  -.1579,   .044,  .0000,   .000,  .1438, 2.00]},
    'Pu':{'M':[     .3840, 16.679, 3.1049,  5.421, -2.5148,  4.551,  .0000,   .000,  .0263],
        'N':[    2.0885, 12.871, 2.5961,  5.190,  -.1465,   .039,  .0000,   .000,  .1343, 2.00]},       #really Pu+3
    'Pu+3':{'M':[     .3840, 16.679, 3.1049,  5.421, -2.5148,  4.551,  .0000,   .000,  .0263],
        'N':[    2.0885, 12.871, 2.5961,  5.190,  -.1465,   .039,  .0000,   .000,  .1343, 2.00]},
    'Pu+4':{'M':[     .4934, 16.836, 1.6394,  5.638, -1.1581,  4.140,  .0000,   .000,  .0248],
        'N':[    2.7244, 12.926, 2.3387,  5.163,  -.1300,   .046,  .0000,   .000,  .1177, 2.00]},
    'Pu+5':{'M':[     .3888, 16.559, 2.0362,  5.657, -1.4515,  4.255,  .0000,   .000,  .0267],
        'N':[    2.1409, 12.832, 2.5664,  5.132,  -.1338,   .046,  .0000,   .000,  .1210, 2.00]},
    'Pu+6':{'M':[     .3172, 16.051, 3.4654,  5.351, -2.8102,  4.513,  .0000,   .000,  .0281],
        'N':[    1.7262, 12.324, 2.6652,  5.066,  -.1695,   .041,  .0000,   .000,  .1550, 2.00]},
    'Am':{'M':[     .4743, 21.776, 1.5800,  5.690, -1.0779,  4.145,  .0000,   .000,  .0218],
        'N':[    3.5237, 15.955, 2.2855,  5.195,  -.0142,   .585,  .0000,   .000,  .0033, 2.00]},       #really Am+3
    'Am+2':{'M':[     .4743, 21.776, 1.5800,  5.690, -1.0779,  4.145,  .0000,   .000,  .0218],
        'N':[    3.5237, 15.955, 2.2855,  5.195,  -.0142,   .585,  .0000,   .000,  .0033, 2.00]},
    'Am+3':{'M':[     .4239, 19.574, 1.4573,  5.872,  -.9052,  3.968,  .0000,   .000,  .0238],
        'N':[    2.8622, 14.733, 2.4099,  5.144,  -.1326,   .031,  .0000,   .000,  .1233, 2.00]},
    'Am+4':{'M':[     .3737, 17.862, 1.3521,  6.043,  -.7514,  3.720,  .0000,   .000,  .0258],
        'N':[    2.4141, 12.948, 2.3687,  4.945,  -.2490,   .022,  .0000,   .000,  .2371, 2.00]},
    'Am+5':{'M':[     .2956, 17.372, 1.4525,  6.073,  -.7755,  3.662,  .0000,   .000,  .0277],
        'N':[    2.0109, 12.053, 2.4155,  4.836,  -.2264,   .027,  .0000,   .000,  .2128, 2.00]},
    'Am+6':{'M':[     .2302, 16.953, 1.4864,  6.116,  -.7457,  3.543,  .0000,   .000,  .0294],
        'N':[    1.6778, 11.337, 2.4531,  4.725,  -.2043,   .034,  .0000,   .000,  .1892, 2.00]},
    'Am+7':{'M':[     .3601, 12.730, 1.9640,  5.120, -1.3560,  3.714,  .0000,   .000,  .0316],
        'N':[    1.8845,  9.161, 2.0746,  4.042,  -.1318,  1.723,  .0000,   .000,  .0020, 2.00]},
}

pass # placed here so that the following is not processed by Sphinx as a doc string
''' # unused unused terms follow
j<0>
W_6s15d5    FFj0A=0.3811 FFj0a=62.707 FFj0B=0.7523 FFj0b=21.434 FFj0C=12.5449 FFj0c=2.702 FFj0D=12.4130 FFj0d=2.674 FFj0E=0.0023 0.0365
W_6s25d4    FFj0A=0.3653 FFj0a=53.965 FFj0B=0.7926 FFj0b=20.078 FFj0C=0.8142 FFj0c=3.030 FFj0D=0.6581 FFj0d=2.476 FFj0E=0.0023 0.0247
W1p_6s15d4  FFj0A=0.3834 FFj0a=46.233 FFj0B=0.7890 FFj0b=19.278 FFj0C=1.4650 FFj0c=2.947 FFj0D=1.2945 FFj0d=2.628 FFj0E=0.0022 0.0138
Re_6s15d6   FFj0A=0.3691 FFj0a=53.934 FFj0B=0.7837 FFj0b=18.790 FFj0C=9.1491 FFj0c=2.558 FFj0D=8.9983 FFj0d=2.517 FFj0E=0.0027 0.0333
Re_6s25d5   FFj0A=0.3548 FFj0a=47.108 FFj0B=0.8210 FFj0b=17.769 FFj0C=9.8674 FFj0c=2.599 FFj0D=9.6938 FFj0d=2.556 FFj0E=0.0027 0.0248
Re1p_6s15d5 FFj0A=0.3736 FFj0a=41.151 FFj0B=0.8160 FFj0b=17.158 FFj0C=7.0396 FFj0c=2.642 FFj0D=6.8523 FFj0d=2.577 FFj0E=0.0026 0.0139
Os_6s15d7   FFj0A=0.3571 FFj0a=47.458 FFj0B=0.8123 FFj0b=16.770 FFj0C=1.2072 FFj0c=2.556 FFj0D=1.0404 FFj0d=2.211 FFj0E=0.0033 0.0314
Os_6s25d6   FFj0A=0.3467 FFj0a=41.778 FFj0B=0.8458 FFj0b=15.918 FFj0C=5.6370 FFj0c=2.459 FFj0D=5.4472 FFj0d=2.381 FFj0E=0.0032 0.0222
Os1p_6s15d6 FFj0A=0.3666 FFj0a=36.997 FFj0B=0.8390 FFj0b=15.425 FFj0C=2.6944 FFj0c=2.537 FFj0D=2.4916 FFj0d=2.360 FFj0E=0.0031 0.0140
Ir_6s15d8   FFj0A=0.3492 FFj0a=42.195 FFj0B=0.8350 FFj0b=15.113 FFj0C=5.1496 FFj0c=2.279 FFj0D=4.9686 FFj0d=2.201 FFj0E=0.0038 0.0296
Ir_6s25d7   FFj0A=0.3400 FFj0a=37.499 FFj0B=0.8675 FFj0b=14.402 FFj0C=2.3703 FFj0c=2.370 FFj0D=2.1661 FFj0d=2.177 FFj0E=0.0037 0.0214
Ir1p_6s15d7 FFj0A=0.3604 FFj0a=33.570 FFj0B=0.8597 FFj0b=13.993 FFj0C=2.1686 FFj0c=2.412 FFj0D=1.9518 FFj0d=2.188 FFj0E=0.0036 0.0142
j<2>
W_6s15d5 FFj2A=6.9289 FFj2a=53.425 FFj2B=7.2157 FFj2b=20.016 FFj2C=5.7754 FFj2c=6.543 FFj2D=4.2114 FFj2d=5.854 FFj2E=0.0036 0.0398 
W_6s25d4 FFj2A=5.4017 FFj2a=47.110 FFj2B=6.9113 FFj2b=18.760 FFj2C=7.0586 FFj2c=6.363 FFj2D=5.4525 FFj2d=5.802 FFj2E=0.0040 0.0400 
W1p_6s15d4 FFj2A=4.5118 FFj2a=41.281 FFj2B=6.7136 FFj2b=17.964 FFj2C=7.6331 FFj2c=6.269 FFj2D=6.0365 FFj2d=5.758 FFj2E=0.0042 0.0405 
Re_6s15d6 FFj2A=5.5830 FFj2a=46.852 FFj2B=6.4516 FFj2b=17.855 FFj2C=5.0609 FFj2c=6.037 FFj2D=3.5427 FFj2d=5.312 FFj2E=0.0040 0.0334 
Re_6s25d5 FFj2A=4.4322 FFj2a=41.798 FFj2B=6.2063 FFj2b=16.844 FFj2C=9.8763 FFj2c=5.751 FFj2D=8.3294 FFj2d=5.406 FFj2E=0.0043 0.0327 
Re1p_6s15d5 FFj2A=3.7875 FFj2a=37.254 FFj2B=6.0587 FFj2b=16.264 FFj2C=6.9896 FFj2c=5.786 FFj2D=5.4457 FFj2d=5.279 FFj2E=0.0045 0.0329 
Os_6s15d7 FFj2A=4.6511 FFj2a=41.610 FFj2B=5.8194 FFj2b=16.062 FFj2C=6.7172 FFj2c=5.447 FFj2D=5.2689 FFj2d=4.986 FFj2E=0.0043 0.0274 
Os_6s25d6 FFj2A=3.7421 FFj2a=37.491 FFj2B=5.6137 FFj2b=15.256 FFj2C=10.0488 FFj2c=5.293 FFj2D=8.5683 FFj2d=4.991 FFj2E=0.0046 0.0259 
Os1p_6s15d6 FFj2A=3.2611 FFj2a=33.818 FFj2B=5.4945 FFj2b=14.808 FFj2C=5.7610 FFj2c=5.391 FFj2D=4.2811 FFj2d=4.827 FFj2E=0.0048 0.0261 
Ir_6s15d8 FFj2A=3.9372 FFj2a=37.508 FFj2B=5.2846 FFj2b=14.661 FFj2C=3.7267 FFj2c=5.263 FFj2D=2.3158 FFj2d=4.416 FFj2E=0.0045 0.0217 
Ir_6s25d7 FFj2A=3.2263 FFj2a=33.922 FFj2B=5.1086 FFj2b=13.921 FFj2C=6.5993 FFj2c=4.978 FFj2D=5.1841 FFj2d=4.549 FFj2E=0.0048 0.0203 
Ir1p_6s15d7 FFj2A=2.8732 FFj2a=30.809 FFj2B=5.0094 FFj2b=13.522 FFj2C=6.8656 FFj2c=4.933 FFj2D=5.4669 FFj2d=4.526 FFj2E=0.0050 0.0199 
    
    '''