/usr/share/psi/python/qcdb/periodictable.py is in psi4-data 1:0.3-5.
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# PSI4: an ab initio quantum chemistry software package
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"""Elemental masses (most common isotope), symbols, and atomic numbers from psi4.
"""
_temp_symbol = ["X", "H", "HE", "LI", "BE", "B", "C", "N", "O", "F", "NE", "NA", "MG",
"AL", "SI", "P", "S", "CL", "AR", "K", "CA", "SC", "TI", "V", "CR", "MN", "FE", "CO",
"NI", "CU", "ZN", "GA", "GE", "AS", "SE", "BR", "KR", "RB", "SR", "Y", "ZR", "NB",
"MO", "TC", "RU", "RH", "PD", "AG", "CD", "IN", "SN", "SB", "TE", "I", "XE", "CS",
"BA", "LA", "CE", "PR", "ND", "PM", "SM", "EU", "GD", "TB", "DY", "HO", "ER", "TM",
"YB", "LU", "HF", "TA", "W", "RE", "OS", "IR", "PT", "AU", "HG", "TL", "PB", "BI",
"PO", "AT", "RN", "FR", "RA", "AC", "TH", "PA", "U", "NP", "PU", "AM", "CM", "BK",
"CF", "ES", "FM", "MD", "NO", "LR", "RF", "DB", "SG", "BH", "HS", "MT", "DS", "RG",
"UUB", "UUT", "UUQ", "UUP", "UUH", "UUS", "UUO"]
_temp_z = list(range(0, 108))
_temp_mass = [
0., 1.00782503207, 4.00260325415, 7.016004548, 9.012182201, 11.009305406,
12, 14.00307400478, 15.99491461956, 18.998403224, 19.99244017542,
22.98976928087, 23.985041699, 26.981538627, 27.97692653246, 30.973761629,
31.972070999, 34.968852682, 39.96238312251, 38.963706679, 39.962590983,
44.955911909, 47.947946281, 50.943959507, 51.940507472, 54.938045141,
55.934937475, 58.933195048, 57.935342907, 62.929597474, 63.929142222,
68.925573587, 73.921177767, 74.921596478, 79.916521271, 78.918337087,
85.910610729, 84.911789737, 87.905612124, 88.905848295, 89.904704416,
92.906378058, 97.905408169, 98.906254747, 101.904349312, 102.905504292,
105.903485715, 106.90509682, 113.90335854, 114.903878484, 119.902194676,
120.903815686, 129.906224399, 126.904472681, 131.904153457, 132.905451932,
137.905247237, 138.906353267, 139.905438706, 140.907652769, 141.907723297,
144.912749023, 151.919732425, 152.921230339, 157.924103912, 158.925346757,
163.929174751, 164.93032207, 165.930293061, 168.93421325, 173.938862089,
174.940771819, 179.946549953, 180.947995763, 183.950931188, 186.955753109,
191.96148069, 192.96292643, 194.964791134, 196.966568662, 201.970643011,
204.974427541, 207.976652071, 208.980398734, 208.982430435, 210.987496271,
222.017577738, 222.01755173, 228.031070292, 227.027752127, 232.038055325,
231.03588399, 238.050788247, 237.048173444, 242.058742611, 243.06138108,
247.07035354, 247.07030708, 251.079586788, 252.082978512, 257.095104724,
258.098431319, 255.093241131, 260.105504, 263.112547, 255.107398, 259.114500,
262.122892, 263.128558, 265.136151, 281.162061, 272.153615, 283.171792, 283.176451,
285.183698, 287.191186, 292.199786, 291.206564, 293.214670]
el2masses = dict(zip(_temp_symbol, _temp_mass))
el2masses["GH"] = 0. # note that ghost atoms in Cfour have mass 100.
el2z = dict(zip(_temp_symbol, _temp_z))
el2z["GH"] = 0
z2masses = dict(zip(_temp_z, _temp_mass))
z2el = dict(zip(_temp_z, _temp_symbol))
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