'''
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':{'Sl core':{'fa':[0. ,0. ,0. ,0.],'fb':[0. ,0. ,0. ,0.],'fc':0.,'Ne':0},
         'Sl val':{'fa':[ .493002,  .322912,  .140191,  .040810],'fb':[  10.5109,  26.1257,  3.14236,  57.7997],'fc':  .003038,'Ne':1},              #Rw: 0.036
         'Sl 1s':{'fa':[ .493002,  .322912,  .140191,  .040810],'fb':[  10.5109,  26.1257,  3.14236,  57.7997],'fc':  .003038,'Ne':1}},              #Rw: 0.036
    'Li':{'Sl core':{'fa':[1.02166 ,0.51562 ,0.43645 ,0.00000],'fb':[2.78445 ,0.82277 ,7.47390 ,0.00000],'fc':0.02579,'Ne':1},   #Rw: 0.036
        'Sl val':{'fa':[0.01288 ,-23.81142 ,0.83789 ,23.95868],'fb':[1.16312 ,34.39299 ,137.70976 ,34.69474],'fc':0.00043,'Ne':1},   #Rw: 0.336
        'Sl 2s':{'fa':[0.01288 ,-23.81142 ,0.83789 ,23.95868],'fb':[1.16312 ,34.39299 ,137.70976 ,34.69474],'fc':0.00043,'Ne':1}},   #Rw: 0.336
    'Be':{'Sl core':{'fa':[0.82472 ,1.09276 ,0.00000 ,0.00000],'fb':[2.99431 ,0.82563 ,0.00000 ,0.00000],'fc':0.07974,'Ne':1},   #Rw: 0.174
        'Sl val':{'fa':[-0.11643 ,0.02468 ,0.40918 ,0.68050],'fb':[7.15639 ,0.89108 ,88.71237 ,38.42358],'fc':0.00176,'Ne':2},   #Rw: 0.058
        'Sl 2s':{'fa':[-0.11643 ,0.02468 ,0.40918 ,0.68050],'fb':[7.15639 ,0.89108 ,88.71237 ,38.42358],'fc':0.00176,'Ne':2}},   #Rw: 0.058
    'B':{'Sl core':{'fa':[1.02279 ,0.97261 ,0.00000 ,0.00000],'fb':[1.64294 ,0.38004 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.270
        'Sl val':{'fa':[0.02291 ,0.38760 ,-0.08188 ,0.66820],'fb':[0.71195 ,58.86439 ,3.45996 ,22.63218],'fc':0.00256,'Ne':3},   #Rw: 0.102
        'Sl 2s':{'fa':[1.41960 ,-1.01783 ,0.58512 ,0.00000],'fb':[13.24136 ,10.26945 ,44.06080 ,0.00000],'fc':0.01230,'Ne':2},   #Rw: 1.346
        'Sl 2p':{'fa':[-0.00850 ,0.50208 ,0.50519 ,0.00000],'fb':[1.47810 ,22.56168 ,65.03299 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.215
         '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':{'Sl core':{'fa':[0.88920 ,1.10840 ,0.00000 ,0.00000],'fb':[1.22645 ,0.29346 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.132
        'Sl val':{'fa':[0.38986 ,-0.20699 ,0.16639 ,0.64602],'fb':[39.32736 ,1.39105 ,1.13694 ,14.52597],'fc':0.00397,'Ne':4},   #Rw: 0.117
        'Sl 2s':{'fa':[1.32138 ,-0.94791 ,0.60974 ,0.00000],'fb':[8.22747 ,6.27454 ,28.01030 ,0.00000],'fc':0.01566,'Ne':2},   #Rw: 0.832
        'Sl 2p':{'fa':[0.27875 ,0.53799 ,0.19586 ,-0.01243],'fb':[10.27847 ,24.77761 ,57.86792 ,1.25173],'fc':-0.00027,'Ne':2},   #Rw: 0.020        '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':{'Sl core':{'fa':[0.77852 ,1.21985 ,0.00000 ,0.00000],'fb':[0.96196 ,0.23414 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.069
        'Sl val':{'fa':[0.75488 ,0.21655 ,0.63679 ,-0.61470],'fb':[4.24516 ,35.14457 ,13.94612 ,3.58910],'fc':0.00630,'Ne':5},   #Rw: 0.094
        'Sl 2s':{'fa':[0.69620 ,-0.27060 ,0.55504 ,0.00000],'fb':[7.22650 ,3.31048 ,20.49667 ,0.00000],'fc':0.01835,'Ne':2},   #Rw: 0.441
        'Sl 2p':{'fa':[-0.00793 ,0.50756 ,0.49862 ,0.00000],'fb':[0.52552 ,8.81179 ,27.40632 ,0.00000],'fc':0.00000,'Ne':3},   #Rw: 0.285
        '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':{'Sl core':{'fa':[0.68692 ,1.31215 ,0.00000 ,0.00000],'fb':[0.78075 ,0.19151 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.040
        'Sl val':{'fa':[-0.05805 ,0.16787 ,0.54779 ,0.33660],'fb':[1.62550 ,30.93539 ,12.23189 ,5.08896],'fc':0.00564,'Ne':6},   #Rw: 0.035
        'Sl 2s':{'fa':[0.67997 ,-0.17420 ,0.47272 ,0.00000],'fb':[6.17545 ,2.00431 ,16.10236 ,0.00000],'fc':0.02075,'Ne':2},   #Rw: 0.221
        'Sl 2p':{'fa':[0.29692 ,0.19243 ,0.52071 ,-0.01127],'fb':[5.00547 ,32.64197 ,12.88336 ,0.39407],'fc':0.00105,'Ne':4},   #Rw: 0.000
        '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':{'Sl core':{'fa':[0.60671 ,1.39256 ,0.00000 ,0.00000],'fb':[0.65297 ,0.16017 ,0.00000 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.026
        'Sl val':{'fa':[0.50603 ,0.14439 ,-0.03620 ,0.38049],'fb':[10.32054 ,26.21202 ,0.98564 ,4.28790],'fc':0.00516,'Ne':7},   #Rw: 0.022
        'Sl 2s':{'fa':[0.69775 ,-0.14319 ,0.42213 ,0.00000],'fb':[5.10620 ,1.35095 ,12.93102 ,0.00000],'fc':0.02273,'Ne':2},   #Rw: 0.125
        'Sl 2p':{'fa':[0.43932 ,0.54161 ,0.01924 ,0.00000],'fb':[16.85347 ,5.25245 ,61.83086 ,0.00000],'fc':0.00000,'Ne':5},   #Rw: 0.957
         '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
        '<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':{'Sl core':{'fa':[1.26440 ,2.87097 ,5.12016 ,0.00000],'fb':[0.35897 ,9.88914 ,3.47631 ,0.00000],'fc':0.73850,'Ne':1},   #Rw: 0.083
        'Sl val':{'fa':[-1.60817 ,2.01651 ,0.58999 ,0.00000],'fb':[52.78862 ,63.32671 ,184.69862 ,0.00000],'fc':0.00161,'Ne':1},   #Rw: 1.520
        'Sl 3s':{'fa':[-1.60817 ,2.01651 ,0.58999 ,0.00000],'fb':[52.78862 ,63.32671 ,184.69862 ,0.00000],'fc':0.00161,'Ne':1},   #Rw: 1.520
          },
    'Mg':{'Sl core':{'fa':[5.32477 ,2.58867 ,1.23297 ,0.00000],'fb':[2.81709 ,7.41361 ,0.37596 ,0.00000],'fc':0.85024,'Ne':1},   #Rw: 0.047
        'Sl val':{'fa':[-1.83151 ,2.34437 ,0.48480 ,0.00000],'fb':[32.95627 ,39.68086 ,120.94497 ,0.00000],'fc':0.00242,'Ne':2},   #Rw: 1.813
        'Sl 3s':{'fa':[-1.83151 ,2.34437 ,0.48480 ,0.00000],'fb':[32.95627 ,39.68086 ,120.94497 ,0.00000],'fc':0.00242,'Ne':2},   #Rw: 1.813
          },
    'Al':{'Sl core':{'fa':[2.28764 ,5.50545 ,1.26107 ,0.00000],'fb':[5.86343 ,2.35655 ,0.40136 ,0.00000],'fc':0.94401,'Ne':1},   #Rw: 0.026
        'Sl val':{'fa':[0.79466 ,-0.20209 ,0.33945 ,0.06786],'fb':[44.59170 ,8.19068 ,113.06023 ,2.78603],'fc':-0.00026,'Ne':3},   #Rw: 0.099
        'Sl 3s':{'fa':[0.86076 ,-0.27013 ,0.31189 ,0.09777],'fb':[39.04559 ,7.76123 ,83.50646 ,3.07070],'fc':-0.00039,'Ne':2},   #Rw: 0.129
        'Sl 3p':{'fa':[0.70285 ,-0.13750 ,0.40931 ,0.02525],'fb':[64.56693 ,13.02907 ,143.82608 ,1.90383],'fc':-0.00013,'Ne':1},   #Rw: 0.052
          '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':{'Sl core':{'fa':[1.95728 ,1.36269 ,5.65746 ,0.00000],'fb':[4.85246 ,0.43043 ,2.02828 ,0.00000],'fc':1.02149,'Ne':1},   #Rw: 0.015
        'Sl val':{'fa':[0.35466 ,0.79262 ,0.07347 ,-0.22068],'fb':[80.38419 ,33.18496 ,2.08191 ,6.62263],'fc':-0.00039,'Ne':4},   #Rw: 0.065
        'Sl 3s':{'fa':[-0.33492 ,0.89461 ,0.29991 ,0.14111],'fb':[5.77388 ,28.11507 ,60.03004 ,2.53813],'fc':-0.00079,'Ne':2},   #Rw: 0.103
        'Sl 3p':{'fa':[56.81649 ,-56.61599 ,0.77125 ,0.02732],'fb':[18.26060 ,18.16977 ,72.12858 ,1.18997],'fc':-0.00072,'Ne':2},   #Rw: 0.335
          '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':{'Sl core':{'fa':[1.61960 ,5.75059 ,1.54657 ,0.00000],'fb':[4.15302 ,1.78495 ,0.45650 ,0.00000],'fc':1.08250,'Ne':1},   #Rw: 0.009
        'Sl val':{'fa':[0.80464 ,0.35626 ,0.07878 ,-0.23949],'fb':[25.49952 ,60.05538 ,1.62887 ,5.43085],'fc':-0.00049,'Ne':5},   #Rw: 0.000
        'Sl 3s':{'fa':[18.80354 ,-18.19638 ,0.37082 ,-5.90006],'fb':[13.92611 ,13.55485 ,45.28728 ,-0.00132],'fc':5.92246,'Ne':2},   #Rw: 1.520
        'Sl 3p':{'fa':[0.38258 ,0.76606 ,-0.19542 ,0.04675],'fb':[66.39818 ,29.62086 ,6.68917 ,1.28395],'fc':-0.00021,'Ne':3},   #Rw: 0.046
         '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':{'Sl core':{'fa':[1.76432 ,1.36676 ,5.74412 ,0.00000],'fb':[0.46292 ,3.59234 ,1.57926 ,0.00000],'fc':1.12443,'Ne':1},   #Rw: 0.005
        'Sl val':{'fa':[0.08706 ,0.81011 ,-0.24960 ,0.35255],'fb':[1.34530 ,20.31979 ,4.34135 ,49.72613],'fc':-0.00048,'Ne':6},   #Rw: 0.058
        'Sl 3s':{'fa':[4.11356 ,-3.97162 ,0.76799 ,0.09167],'fb':[8.11527 ,7.34136 ,26.66481 ,1.26784],'fc':-0.00265,'Ne':2},   #Rw: 0.002
        'Sl 3p':{'fa':[0.37978 ,0.76483 ,-0.20090 ,0.05610],'fb':[53.96553 ,22.87939 ,4.98628 ,1.10042],'fc':-0.00014,'Ne':4},   #Rw: 0.057
         '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':{'Sl core':{'fa':[5.94138 ,2.07884 ,1.97886 ,0.00000],'fb':[1.14046 ,2.69789 ,0.08040 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.011
        'Sl val':{'fa':[-0.26056 ,0.34803 ,0.09553 ,0.81702],'fb':[3.54261 ,41.01784 ,1.14067 ,16.57649],'fc':-0.00038,'Ne':7},   #Rw: 0.061
        'Sl 3s':{'fa':[-0.05299 ,1.20253 ,-0.40075 ,0.24946],'fb':[17.46981 ,17.46969 ,2.49805 ,1.38538],'fc':-0.00353,'Ne':2},   #Rw: 0.826
        'Sl 3p':{'fa':[7.45384 ,-7.56680 ,0.26853 ,0.84206],'fb':[2.07462 ,2.11040 ,49.50765 ,20.25130],'fc':0.00233,'Ne':5},   #Rw: 0.215
          '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':{'Sl core':{'fa':[2.83761 ,-88.17777 ,7.49955 ,94.40063],'fb':[24.21431 ,8.67788 ,0.78574 ,8.84148],'fc':1.43711,'Ne':1},   #Rw: 0.048
        'Sl val':{'fa':[1.12879 ,-0.69544 ,0.57306 ,-0.00994],'fb':[201.83060 ,21.00274 ,17.06331 ,4.01658],'fc':0.00058,'Ne':1},   #Rw: 0.552
        'Sl 4s':{'fa':[1.12879 ,-0.69544 ,0.57306 ,-0.00994],'fb':[201.83060 ,21.00274 ,17.06331 ,4.01658],'fc':0.00058,'Ne':1},   #Rw: 0.552
          },
    'Ca':{'Sl core':{'fa':[9.04970 ,7.15959 ,1.69492 ,0.00000],'fb':[11.45715 ,0.71059 ,0.04104 ,0.00000],'fc':0.04790,'Ne':1},   #Rw: 0.253
        'Sl val':{'fa':[2.75746 ,-3.01842 ,0.52082 ,0.73912],'fb':[17.33451 ,18.57194 ,174.73278 ,89.01157],'fc':0.00074,'Ne':2},   #Rw: 0.655
        'Sl 4s':{'fa':[2.75746 ,-3.01842 ,0.52082 ,0.73912],'fb':[17.33451 ,18.57194 ,174.73278 ,89.01157],'fc':0.00074,'Ne':2},   #Rw: 0.655
          },
    'Sc':{'Sl core':{'fa':[1.89966 ,9.08043 ,6.97400 ,0.00000],'fb':[0.05406 ,9.76559 ,0.63421 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.247
        'Sl val':{'fa':[0.15612 ,0.85379 ,-0.02456 ,0.01615],'fb':[7.89880 ,104.40755 ,1.05850 ,0.21525],'fc':-0.00659,'Ne':3},   #Rw: 0.762
        'Sl 3d':{'fa':[0.54899 ,-0.01826 ,0.46666 ,0.00000],'fb':[12.34528 ,0.98687 ,41.44711 ,0.00000],'fc':0.00055,'Ne':1},   #Rw: 0.328
        'Sl 4s':{'fa':[0.26486 ,-6.79062 ,0.93554 ,6.58798],'fb':[12.60926 ,30.11118 ,127.69467 ,31.96276],'fc':0.00088,'Ne':2},   #Rw: 0.704
          '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':{'Sl core':{'fa':[9.07177 ,6.20369 ,2.66516 ,0.00000],'fb':[8.51406 ,0.61262 ,0.10885 ,0.00000],'fc':0.01554,'Ne':1},   #Rw: 0.242
        'Sl val':{'fa':[0.32523 ,0.42429 ,-0.02265 ,0.27191],'fb':[47.59754 ,121.47652 ,1.48503 ,7.76561],'fc':0.00061,'Ne':4},   #Rw: 0.150
        'Sl 3d':{'fa':[0.56995 ,-0.02165 ,0.44909 ,0.00000],'fb':[9.77549 ,0.83700 ,31.50551 ,0.00000],'fc':0.00083,'Ne':2},   #Rw: 0.278
        'Sl 4s':{'fa':[-66.78473 ,0.53201 ,0.74421 ,66.50666],'fb':[14.08368 ,57.00356 ,127.06636 ,14.04100],'fc':0.00087,'Ne':2},   #Rw: 0.010
          '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':{'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':{'Sl core':{'fa':[9.01460 ,4.27099 ,4.67369 ,0.00000],'fb':[7.54649 ,0.69766 ,0.18507 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.233
        'Sl val':{'fa':[0.39534 ,0.28148 ,0.34305 ,-0.02140],'fb':[104.81406 ,32.37307 ,7.15538 ,1.04877],'fc':0.00066,'Ne':5},   #Rw: 0.171
        'Sl 3d':{'fa':[0.58212 ,-0.02321 ,0.43785 ,0.00000],'fb':[8.14828 ,0.66234 ,26.14320 ,0.00000],'fc':0.00153,'Ne':3},   #Rw: 0.266
        'Sl 4s':{'fa':[-5.20457 ,4.98825 ,0.46617 ,0.74908],'fb':[12.16472 ,11.76781 ,137.67470 ,67.16658],'fc':0.00082,'Ne':2},   #Rw: 0.586
         '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':{'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':{'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':{'Sl core':{'fa':[8.71797 ,2.13371 ,7.11171 ,0.00000],'fb':[7.01360 ,1.18522 ,0.24411 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.232
        'Sl val':{'fa':[0.24028 ,0.39392 ,0.38462 ,-0.02060],'fb':[91.76859 ,22.20348 ,6.52497 ,0.71961],'fc':0.00086,'Ne':6},   #Rw: 0.149
        'Sl 3d':{'fa':[-0.02676 ,0.48805 ,0.17754 ,0.36070],'fb':[0.83620 ,16.32743 ,47.74919 ,5.90154],'fc':0.00015,'Ne':5},   #Rw: 0.051
        'Sl 4s':{'fa':[0.77744 ,1.34167 ,0.39073 ,-1.51043],'fb':[73.27208 ,10.28027 ,150.06087 ,11.27736],'fc':0.00042,'Ne':1},   #Rw: 0.006
        'Ca 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':{'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':{'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':{'Sl core':{'fa':[8.24920 ,1.89250 ,7.83416 ,0.00000],'fb':[6.39367 ,1.88181 ,0.24647 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.184
        'Sl val':{'fa':[0.30840 ,0.29273 ,0.41830 ,-0.02218],'fb':[86.67584 ,20.24538 ,5.62675 ,0.59151],'fc':0.00170,'Ne':7},   #Rw: 0.172
        'Sl 3d':{'fa':[0.59971 ,-0.02730 ,0.42002 ,0.00000],'fb':[6.06123 ,0.34679 ,19.48500 ,0.00000],'fc':0.00595,'Ne':5},   #Rw: 0.250
        'Sl 4s':{'fa':[-4.00545 ,0.76842 ,0.41708 ,3.81910],'fb':[9.74978 ,60.25650 ,126.12450 ,9.39562],'fc':0.00064,'Ne':2},   #Rw: 0.489
        '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':{'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':{'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':{'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':{'Sl core':{'fa':[6.67657 ,3.20171 ,8.10822 ,0.00000],'fb':[6.30660 ,2.80957 ,0.23556 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.138
        'Sl val':{'fa':[0.27733 ,0.43130 ,-0.02287 ,0.30963],'fb':[79.16751 ,4.99442 ,0.40907 ,17.50962],'fc':0.00353,'Ne':8},   #Rw: 0.168
        'Sl 3d':{'fa':[0.60396 ,-0.04121 ,0.41340 ,0.00000],'fb':[5.39447 ,0.14106 ,17.96068 ,0.00000],'fc':0.02204,'Ne':6},   #Rw: 0.270
        'Sl 4s':{'fa':[0.77277 ,2.58399 ,0.40293 ,-2.76043],'fb':[56.26928 ,8.36059 ,119.29860 ,8.79463],'fc':0.00054,'Ne':2},   #Rw: 0.435
          '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':{'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':{'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':{'Sl core':{'fa':[4.87800 ,4.91215 ,8.20215 ,0.00000],'fb':[6.36211 ,3.16906 ,0.21978 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.096
        'Sl val':{'fa':[0.25152 ,0.32036 ,0.44531 ,-0.02677],'fb':[73.15314 ,15.39509 ,4.47403 ,0.24419],'fc':0.00847,'Ne':9},   #Rw: 0.164
        'Sl 3d':{'fa':[0.40886 ,2.63417 ,0.60731 ,0.00000],'fb':[16.33386 ,-0.00150 ,4.80833 ,0.00000],'fc':-2.65229,'Ne':7},   #Rw: 0.278
        'Sl 4s':{'fa':[0.77326 ,-2.29653 ,2.12948 ,0.39315],'fb':[52.89744 ,7.97415 ,7.52914 ,113.45540],'fc':0.00043,'Ne':2},   #Rw: 0.388
          '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':{'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':{'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':{'Sl core':{'fa':[3.76888 ,8.24756 ,5.97868 ,0.00000],'fb':[6.27424 ,0.20387 ,3.15838 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.064
        'Sl val':{'fa':[0.45813 ,0.32802 ,-0.05604 ,0.22982],'fb':[4.04295 ,13.76552 ,0.07582 ,68.01663],'fc':0.03895,'Ne':10},   #Rw: 0.160
        'Sl 3d':{'fa':[0.00766 ,0.40061 ,0.61371 ,0.00000],'fb':[-0.25167 ,14.98790 ,4.34627 ,0.00000],'fc':-0.02395,'Ne':8},   #Rw: 0.279
        'Sl 4s':{'fa':[0.77503 ,-16.69742 ,0.38239 ,16.53952],'fb':[49.99568 ,7.05091 ,108.46954 ,7.00106],'fc':0.00030,'Ne':2},   #Rw: 0.330
          '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':{'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':{'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':{'Sl core':{'fa':[7.67745 ,7.83516 ,1.67782 ,0.00000],'fb':[0.22786 ,3.41830 ,7.76529 ,0.00000],'fc':0.80909,'Ne':1},   #Rw: 0.008
        'Sl val':{'fa':[0.14758 ,0.40329 ,0.46494 ,-0.28888],'fb':[66.21544 ,12.34460 ,3.67614 ,0.01172],'fc':0.27186,'Ne':11},   #Rw: 0.159
        'Sl 3d':{'fa':[0.58212 ,0.38367 ,0.04382 ,0.00000],'fb':[4.16440 ,14.32262 ,48.41928 ,0.00000],'fc':-0.00948,'Ne':10},   #Rw: 0.553
        'Sl 4s':{'fa':[0.73800 ,0.37319 ,1.08513 ,-1.19652],'fb':[60.38975 ,131.24766 ,6.50555 ,7.05036],'fc':0.00006,'Ne':1},   #Rw: 0.285
          },
    'Cu+2':{'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':{'Sl core':{'fa':[7.05273 ,2.65247 ,8.29169 ,0.00000],'fb':[2.86332 ,5.89422 ,0.17570 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.028
        'Sl val':{'fa':[0.19936 ,0.34714 ,0.46986 ,-0.36748],'fb':[58.93003 ,10.92474 ,3.27855 ,0.00879],'fc':0.34989,'Ne':12},   #Rw: 0.159
        'Sl 3d':{'fa':[0.61175 ,0.40436 ,0.99848 ,0.00000],'fb':[3.49349 ,12.35160 ,-0.00291 ,0.00000],'fc':-1.01687,'Ne':10},   #Rw: 0.308
        'Sl 4s':{'fa':[9.02589 ,-9.16756 ,0.77300 ,0.36842],'fb':[5.82292 ,5.88787 ,44.96686 ,99.72660],'fc':0.00006,'Ne':2},   #Rw: 0.216
          },
    'Ga':{'Sl core':{'fa':[5.43266 ,8.05782 ,14.48635 ,0.00000],'fb':[8.81007 ,0.16169 ,2.88582 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.087
        'Sl val':{'fa':[0.35470 ,0.78829 ,-1.68050 ,1.53699],'fb':[105.47363 ,39.19051 ,5.39881 ,5.03813],'fc':-0.00004,'Ne':3},   #Rw: 0.267
        'Sl 4s':{'fa':[13.03082 ,0.36092 ,-13.22697 ,0.83511],'fb':[5.16510 ,70.73518 ,5.22122 ,33.03643],'fc':-0.00005,'Ne':2},   #Rw: 0.283
        'Sl 4p':{'fa':[0.37085 ,0.08075 ,0.73075 ,-0.18257],'fb':[146.15833 ,4.49689 ,64.58051 ,9.12092],'fc':0.00005,'Ne':1},   #Rw: 0.187
          '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':{'Sl core':{'fa':[14.66906 ,5.29703 ,8.01630 ,0.00000],'fb':[2.60434 ,7.35487 ,0.14875 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.060
        'Sl val':{'fa':[0.37266 ,0.79042 ,-1.45240 ,1.28909],'fb':[81.62145 ,33.06912 ,5.00117 ,4.54499],'fc':-0.00016,'Ne':4},   #Rw: 0.275
        'Sl 4s':{'fa':[-16.92424 ,0.85432 ,0.39103 ,16.67893],'fb':[4.66923 ,25.58652 ,53.56000 ,4.62017],'fc':-0.00026,'Ne':2},   #Rw: 0.318
        'Sl 4p':{'fa':[12.21679 ,0.82261 ,-12.34723 ,0.30775],'fb':[5.54061 ,47.39092 ,5.59152 ,105.63565],'fc':0.00001,'Ne':2},   #Rw: 0.217
          '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':{'Sl core':{'fa':[5.14010 ,7.97435 ,14.87405 ,0.00000],'fb':[6.29084 ,0.13765 ,2.36344 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.043
        'Sl val':{'fa':[0.40744 ,0.78205 ,-4.04825 ,3.85818],'fb':[62.53153 ,27.43002 ,4.46306 ,4.29231],'fc':-0.00034,'Ne':5},   #Rw: 0.002
        'Sl 4s':{'fa':[-41.29015 ,24.45513 ,0.98976 ,16.84341],'fb':[5.94816 ,5.58302 ,31.68084 ,6.57505],'fc':-0.00018,'Ne':2},   #Rw: 0.477
        'Sl 4p':{'fa':[-5.85196 ,0.87602 ,5.69116 ,0.28495],'fb':[4.92462 ,36.80945 ,4.80787 ,81.52362],'fc':-0.00015,'Ne':3},   #Rw: 0.002
          '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':{'Sl core':{'fa':[7.93060 ,15.14374 ,4.91490 ,0.00000],'fb':[0.12777 ,2.16052 ,5.51130 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.033
        'Sl val':{'fa':[0.37595 ,0.83032 ,1.82397 ,-2.03001],'fb':[56.39135 ,23.74850 ,3.74278 ,4.08992],'fc':-0.00060,'Ne':6},   #Rw: 0.265
        'Sl 4s':{'fa':[0.47831 ,-7.74226 ,7.39977 ,0.86482],'fb':[34.24639 ,3.84435 ,3.72161 ,16.61899],'fc':-0.00094,'Ne':2},   #Rw: 0.004
        'Sl 4p':{'fa':[0.34026 ,0.83927 ,1.33521 ,-1.51454],'fb':[65.14528 ,29.01337 ,4.00453 ,4.46722],'fc':-0.00038,'Ne':4},   #Rw: 0.221
          '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':{'Sl core':{'fa':[4.71423 ,15.38528 ,7.89302 ,0.00000],'fb':[4.87517 ,1.98002 ,0.11882 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.024
        'Sl val':{'fa':[0.37576 ,0.84930 ,-2.35087 ,2.12633],'fb':[48.46141 ,20.41748 ,3.68323 ,3.38636],'fc':-0.00089,'Ne':7},   #Rw: 0.244
        'Sl 4s':{'fa':[0.87747 ,-5.78561 ,5.58988 ,0.31849],'fb':[24.19127 ,6.46280 ,7.09871 ,2.66164],'fc':-0.00131,'Ne':2},   #Rw: 0.352
        'Sl 4p':{'fa':[1.79208 ,0.35056 ,0.84810 ,-1.99033],'fb':[3.57417 ,54.44600 ,23.96286 ,3.91640],'fc':-0.00064,'Ne':5},   #Rw: 0.207
          '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
    'Rb':{'Sl core':{'fa':[10.03855 ,17.95727 ,7.93606 ,0.00000],'fb':[18.58664 ,1.75144 ,0.10811 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.170
        'Sl val':{'fa':[-5.88625 ,0.28275 ,5.67112 ,0.93231],'fb':[30.22264 ,340.10348 ,29.42748 ,186.13580],'fc':0.00008,'Ne':1},   #Rw: 0.487
        'Sl 5s':{'fa':[-5.88625 ,0.28275 ,5.67112 ,0.93231],'fb':[30.22264 ,340.10348 ,29.42748 ,186.13580],'fc':0.00008,'Ne':1},   #Rw: 0.487
          },
    'Sr':{'Sl core':{'fa':[199.85352 ,5.07720 ,-189.71537 ,16.63877],'fb':[15.62013 ,0.35743 ,15.62005 ,1.66991],'fc':4.10277,'Ne':1},   #Rw: 0.105
        'Sl val':{'fa':[0.56900 ,0.75374 ,-67.35923 ,67.03614],'fb':[195.69513 ,100.33103 ,23.54796 ,23.48020],'fc':0.00008,'Ne':2},   #Rw: 0.487
        'Sl 5s':{'fa':[0.56900 ,0.75374 ,-67.35923 ,67.03614],'fb':[195.69513 ,100.33103 ,23.54796 ,23.48020],'fc':0.00008,'Ne':2},   #Rw: 0.487
          },
    'Y' :{'Sl core':{'fa':[10.27636 ,16.61965 ,4.86820 ,0.00000],'fb':[13.54412 ,1.50839 ,0.34661 ,0.00000],'fc':4.19740,'Ne':1},   #Rw: 0.092
        'Sl val':{'fa':[0.30697 ,0.87588 ,-0.02182 ,-0.16271],'fb':[194.02499 ,84.64480 ,276.80058 ,55.42502],'fc':0.00161,'Ne':3},   #Rw: 0.793
        'Sl 4d':{'fa':[-0.13901 ,0.05322 ,0.41048 ,0.67531],'fb':[4.62976 ,1.46619 ,86.35381 ,30.85942],'fc':-0.00078,'Ne':1},   #Rw: 0.136
        'Sl 5s':{'fa':[-35.77577 ,0.60251 ,0.73945 ,35.43338],'fb':[20.38169 ,165.38795 ,81.72335 ,20.26832],'fc':0.00009,'Ne':2},   #Rw: 0.482
         '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':{'Sl core':{'fa':[10.34750 ,16.26830 ,4.91183 ,0.00000],'fb':[12.00824 ,1.39113 ,0.37982 ,0.00000],'fc':4.43826,'Ne':1},   #Rw: 0.083
        'Sl val':{'fa':[1.23999 ,-2.25717 ,2.01285 ,0.31509],'fb':[103.74526 ,71.08276 ,58.99636 ,0.00212],'fc':-0.31170,'Ne':4},   #Rw: 1.613
        'Sl 4d':{'fa':[0.38519 ,0.71891 ,0.06964 ,-0.17342],'fb':[67.82982 ,24.40629 ,1.34960 ,3.99235],'fc':-0.00102,'Ne':2},   #Rw: 0.120
        'Sl 5s':{'fa':[17.55957 ,-17.93609 ,0.67024 ,0.70567],'fb':[18.33209 ,18.55956 ,143.79248 ,66.84719],'fc':0.00017,'Ne':2},   #Rw: 0.558
         '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':{'Sl core':{'fa':[18.08024 ,10.43160 ,7.44763 ,0.00000],'fb':[1.20008 ,10.92801 ,0.07458 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.096
        'Sl val':{'fa':[0.48761 ,0.56641 ,-0.47245 ,0.41730],'fb':[86.23508 ,23.67912 ,2.09274 ,1.76826],'fc':-0.00071,'Ne':5},   #Rw: 0.314
        'Sl 4d':{'fa':[0.70564 ,-0.18385 ,0.39310 ,0.08519],'fb':[21.73081 ,3.31406 ,63.43230 ,1.32312],'fc':-0.00093,'Ne':4},   #Rw: 0.145
        'Sl 5s':{'fa':[1.16538 ,28.17017 ,-9.72435 ,-18.61602],'fb':[105.80207 ,8.88448 ,8.13977 ,9.39941],'fc':0.00104,'Ne':1},   #Rw: 0.736
          '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':{'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':{'Sl core':{'fa':[10.47487 ,7.35603 ,18.12997 ,0.00000],'fb':[9.89680 ,0.06875 ,1.10651 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.092
        'Sl val':{'fa':[0.42559 ,0.64329 ,-0.52883 ,0.45881],'fb':[75.40989 ,19.94525 ,1.96158 ,1.63076],'fc':-0.00078,'Ne':6},   #Rw: 0.311
        'Sl 4d':{'fa':[0.10259 ,-0.21603 ,0.73943 ,0.37434],'fb':[1.22875 ,2.95206 ,18.21006 ,51.84881],'fc':-0.00108,'Ne':5},   #Rw: 0.124
        'Sl 5s':{'fa':[0.78811 ,0.67783 ,-2.41043 ,1.94338],'fb':[118.77086 ,47.55285 ,17.44778 ,15.38228],'fc':0.00038,'Ne':1},   #Rw: 0.750
         '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':{'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':{'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':{'Sl core':{'fa':[7.17132 ,10.61540 ,18.17988 ,0.00000],'fb':[0.06076 ,8.84816 ,1.01255 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.079
        'Sl val':{'fa':[0.44531 ,0.62249 ,-0.64892 ,0.57930],'fb':[77.35004 ,16.70981 ,1.70698 ,1.46677],'fc':-0.00102,'Ne':7},   #Rw: 0.476
        'Sl 4d':{'fa':[0.68696 ,-0.28633 ,0.49168 ,0.10855],'fb':[12.80714 ,3.04600 ,30.38572 ,1.09066],'fc':-0.00105,'Ne':5},   #Rw: 0.034
        'Sl 5s':{'fa':[-28.11958 ,27.86262 ,0.90077 ,0.35444],'fb':[25.68303 ,26.13320 ,106.51474 ,12.21760],'fc':0.00040,'Ne':2},   #Rw: 0.634
         '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':{'Sl core':{'fa':[10.55445 ,18.19519 ,7.21558 ,0.00000],'fb':[8.25296 ,0.95128 ,0.06007 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.084
        'Sl val':{'fa':[0.34953 ,0.73677 ,-0.71819 ,0.63071],'fb':[63.58789 ,15.19478 ,1.62032 ,1.37027],'fc':-0.00118,'Ne':8},   #Rw: 0.356
        'Sl 4d':{'fa':[0.77707 ,-0.32494 ,0.34747 ,0.20047],'fb':[13.87235 ,2.11281 ,40.24630 ,1.20538],'fc':-0.00081,'Ne':7},   #Rw: 0.122
        'Sl 5s':{'fa':[-118.94571 ,0.65016 ,0.64942 ,118.64516],'fb':[13.34599 ,53.77890 ,121.20030 ,13.32372],'fc':0.00041,'Ne':1},   #Rw: 0.681
         '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':{'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':{'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':{'Sl core':{'fa':[7.20208 ,10.57454 ,18.18988 ,0.00000],'fb':[0.05766 ,7.60388 ,0.88865 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.082
        'Sl val':{'fa':[0.69768 ,0.31892 ,0.77362 ,-0.79125],'fb':[1.25359 ,59.05065 ,13.58317 ,1.47696],'fc':-0.00155,'Ne':9},   #Rw: 0.377
        'Sl 4d':{'fa':[0.79236 ,-0.54929 ,0.33629 ,0.42039],'fb':[12.35956 ,1.72777 ,35.80832 ,1.27173],'fc':-0.00048,'Ne':8},   #Rw: 0.117
        'Sl 5s':{'fa':[2.72419 ,0.88219 ,-2.83932 ,0.23096],'fb':[26.82050 ,106.12134 ,23.09394 ,10.05406],'fc':0.00047,'Ne':1},   #Rw: 0.689
          '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':{'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':{'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':{'Sl core':{'fa':[10.58771 ,17.97025 ,7.40655 ,0.00000],'fb':[7.10811 ,0.84706 ,0.06129 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.088
          'Sl val':{'fa':[0.33634 ,0.77579 ,1.04913 ,-1.16159],'fb':[38.20070 ,11.74182 ,1.25744 ,1.43856],'fc':-0.00085,'Ne':10},   #Rw: 0.175
        'Sl 4d':{'fa':[0.77575 ,-0.89734 ,0.33654 ,0.78475],'fb':[11.73767 ,1.46829 ,38.18904 ,1.22965],'fc':-0.00089,'Ne':10},   #Rw: 0.175
          },
    'Pd+2':{'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':{'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':{'Sl core':{'fa':[18.09456 ,10.57119 ,7.30326 ,0.00000],'fb':[0.78538 ,6.54623 ,0.05712 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.077
        'Sl val':{'fa':[0.27075 ,0.83172 ,-0.77102 ,0.66842],'fb':[51.53678 ,11.14399 ,1.24201 ,1.02882],'fc':-0.00288,'Ne':11},   #Rw: 0.415
        'Sl 4d':{'fa':[0.32921 ,-1.48715 ,0.81290 ,1.34473],'fb':[28.47291 ,1.34443 ,9.92580 ,1.20389],'fc':-0.00039,'Ne':10},   #Rw: 0.106
        'Sl 5s':{'fa':[0.66214 ,-1.82562 ,0.53894 ,1.62372],'fb':[57.16789 ,10.98107 ,125.05872 ,10.10210],'fc':0.00040,'Ne':1},   #Rw: 0.568
          },
    'Cd':{'Sl core':{'fa':[3.95922 ,19.24855 ,17.72152 ,0.00000],'fb':[21.53369 ,0.59571 ,7.00154 ,0.00000],'fc':5.06671,'Ne':1},   #Rw: 0.046
        'Sl val':{'fa':[0.56483 ,1.35474 ,0.70009 ,-1.62061],'fb':[97.40582 ,8.93383 ,43.15813 ,10.02115],'fc':0.00045,'Ne':2},   #Rw: 0.553
        'Sl 5s':{'fa':[-6.66093 ,14.17218 ,1.11822 ,-7.63719],'fb':[5.00794 ,4.50883 ,69.80720 ,4.19433],'fc':0.00160,'Ne':2},   #Rw: 0.993
          },
    'In':{'Sl core':{'fa':[12.70850 ,12.99557 ,20.12990 ,0.00000],'fb':[0.92268 ,0.16674 ,8.06785 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.346
        'Sl val':{'fa':[0.48967 ,1.82002 ,-2.09831 ,0.78714],'fb':[105.86905 ,8.61823 ,9.48742 ,40.27660],'fc':0.00059,'Ne':3},   #Rw: 0.720
        'Sl 5s':{'fa':[-10.95007 ,9.53329 ,0.87450 ,1.54029],'fb':[10.86018 ,10.29700 ,62.82455 ,18.12012],'fc':0.00076,'Ne':2},   #Rw: 0.802
        'Sl 5p':{'fa':[-2.68172 ,2.51397 ,0.44380 ,0.72326],'fb':[11.07752 ,10.56202 ,151.75945 ,70.30332],'fc':0.00042,'Ne':1},   #Rw: 0.460
          },
    'Sn':{'Sl core':{'fa':[20.46385 ,11.81496 ,13.58833 ,0.00000],'fb':[7.18342 ,0.87589 ,0.16940 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.284
        'Sl val':{'fa':[0.58148 ,-3.06919 ,2.71759 ,0.76855],'fb':[82.88873 ,9.07340 ,8.40260 ,32.52053],'fc':0.00074,'Ne':4},   #Rw: 0.726
        'Sl 5s':{'fa':[0.88700 ,5.31893 ,-10.39451 ,5.18669],'fb':[51.04666 ,13.48608 ,10.96821 ,9.34054],'fc':0.00091,'Ne':2},   #Rw: 0.828
        'Sl 5p':{'fa':[-10.85998 ,0.72188 ,0.53189 ,10.60522],'fb':[10.07102 ,48.15491 ,103.61417 ,9.90769],'fc':0.00058,'Ne':2},   #Rw: 0.009
          },
    'Sb':{'Sl core':{'fa':[14.49262 ,10.66136 ,20.73932 ,0.00000],'fb':[0.17550 ,0.85459 ,6.46246 ,0.00000],'fc':0.00000,'Ne':1},   #Rw: 0.236
        'Sl val':{'fa':[0.71610 ,0.84715 ,-2.90818 ,2.34304],'fb':[64.96007 ,23.56862 ,9.30731 ,8.25981],'fc':0.00090,'Ne':5},   #Rw: 0.794
        'Sl 5s':{'fa':[0.86373 ,-26.29037 ,14.17033 ,12.25461],'fb':[43.57209 ,10.09478 ,11.42017 ,8.96450],'fc':0.00103,'Ne':2},   #Rw: 0.935
        'Sl 5p':{'fa':[0.94843 ,40.54416 ,5.92158 ,-46.41658],'fb':[67.01327 ,14.29394 ,11.42193 ,13.83767],'fc':0.00083,'Ne':3},   #Rw: 0.724
          },
    'Te':{'Sl core':{'fa':[-56.79571 ,78.56645 ,19.18239 ,0.00000],'fb':[5.66415 ,5.66265 ,0.46404 ,0.00000],'fc':4.93180,'Ne':1},   #Rw: 0.228
        'Sl val':{'fa':[0.83741 ,8.60274 ,-19.84204 ,11.39927],'fb':[53.72099 ,12.34330 ,10.41602 ,9.39656],'fc':0.00106,'Ne':6},   #Rw: 0.865
        'Sl 5s':{'fa':[24.14419 ,-11.88651 ,1.25831 ,-12.52395],'fb':[3.33753 ,3.05566 ,31.31223 ,3.71768],'fc':0.00452,'Ne':2},   #Rw: 0.552
        'Sl 5p':{'fa':[0.87870 ,-17.45773 ,0.78133 ,16.79586],'fb':[22.28209 ,9.25385 ,62.45329 ,9.06703],'fc':0.00087,'Ne':4},   #Rw: 0.789
          },
    'I':{'Sl core':{'fa':[1.72427 ,20.91860 ,19.12700 ,0.00000],'fb':[13.21005 ,4.71710 ,0.39526 ,0.00000],'fc':4.23296,'Ne':1},   #Rw: 0.041
        'Sl val':{'fa':[0.62234 ,0.80697 ,-2.09872 ,1.66749],'fb':[51.95873 ,19.35193 ,6.65149 ,5.78095],'fc':0.00101,'Ne':7},   #Rw: 0.679
        'Sl 5s':{'fa':[19.37668 ,-35.52522 ,0.80817 ,16.34009],'fb':[6.91992 ,6.17421 ,25.07916 ,5.50906],'fc':-0.00024,'Ne':2},   #Rw: 0.895
        'Sl 5p':{'fa':[11.38539 ,2.86512 ,0.85508 ,-14.10787],'fb':[9.07635 ,13.92675 ,52.02768 ,9.69140],'fc':0.00103,'Ne':5},   #Rw: 0.860
          },
}


#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':[ -.37395,     0],'SA':       20.6}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'H_1':   {'Mass':  1.008,'SL':[ -.37395,     0],'SA':       20.6}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'H_2':   {'Mass':  2.014,'SL':[  .6681,      0],'SA':     .00052}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'H_3':   {'Mass':  3.016,'SL':[  .4792,      0],'SA':        0.0},
    'D_':    {'Mass':  2.014,'SL':[  .6681,      0],'SA':     .00052}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'D_2':   {'Mass':  2.014,'SL':[  .6681,      0],'SA':     .00052}, #Snow (2020) 10.1103/PhysRevD.101.062004
    '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':[  .66472,     0],'SA':      .0035},
    'C_12':  {'Mass': 12.000,'SL':[  .6654,      0],'SA':     .00353}, #Snow (2020) 10.1103/PhysRevD.101.062004
    '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':[  .58037,     0],'SA':     .00019},
    'O_16':  {'Mass': 15.995,'SL':[  .58037,     0],'SA':     .00010}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'O_17':  {'Mass': 16.999,'SL':[  .5867,      0],'SA':       .236}, #Fischer (2012) 10.1088/0953-8984/24/50/505105
    'O_18':  {'Mass': 17.999,'SL':[  .6009,      0],'SA':     .00016}, #Fischer (2012) 10.1088/0953-8984/24/50/505105
    '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':[  .6239,      0],'SA':        .626}, #Snow (2020) 10.1103/PhysRevD.101.062004
    '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},     #Kohlmann (2016) 10.1515/zkri-2016-1984
    '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':[   .885,      0],'SA':        312.}, #Kohlmann (2016) 10.1515/zkri-2016-1984
    '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.},
    'Ir_193':{'Mass':192.963,'SL':[  0.971,      0],'SA':        111.}, #Hannon, Gibbs, Takagi (2018) 10.1107/S1600576718006064
    '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':[  .94024,     0],'SA':        .171}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'Bi_':   {'Mass':208.980,'SL':[  .85242,     0],'SA':       .0338}, #Snow (2020) 10.1103/PhysRevD.101.062004
    'Bi_209':{'Mass':208.980,'SL':[  .85242,     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 
    
    '''
