/usr/share/pyshared/ase/data/alternatives.py is in python-ase 3.6.0.2515-1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 | # alternative structures
# data from CRC Handbook 2004 85th edition
alternative_structures = [
None,# X
None,# H
None,# He
None,# Li
None,# Be
None,# B
None,# C
None,# N
None,# O
None,# F
None,# Ne
None,# Na
None,# Mg
None,# Al
None,# Si
None,# P
None,# S
None,# Cl
None,# Ar
None,# K
None,# Ca
None,# Sc
None,# Ti
None,# V
None,# Cr
None,# Mn
{'symmetry': 'fcc', 'a': 2.9315, 'comment' : 'T>910 C'},# Fe
None,# Co
None,# Ni
None,# Cu
None,# Zn
None,# Ga
None,# Ge
None,# As
None,# Se
None,# Br
None,# Kr
None,# Rb
None,# Sr
None,# Y
None,# Zr
None,# Nb
None,# Mo
None,# Tc
None,# Ru
None,# Rh
None,# Pd
None,# Ag
None,# Cd
None,# In
None,# Sn
None,# Sb
None,# Te
None,# I
None,# Xe
None,# Cs
None,# Ba
None,# La
None,# Ce
None,# Pr
None,# Nd
None,# Pm
None,# Sm
None,# Eu
None,# Gd
None,# Tb
None,# Dy
None,# Ho
None,# Er
None,# Tm
None,# Yb
None,# Lu
None,# Hf
None,# Ta
None,# W
None,# Re
None,# Os
None,# Ir
None,# Pt
None,# Au
None,# Hg
None,# Tl
None,# Pb
None,# Bi
None,# Po
None,# At
None,# Rn
None,# Fr
None,# Ra
None,# Ac
None,# Th
None,# Pa
None,# U
None,# Np
None,# Pu
None,# Am
None,# Cm
None,# Bk
None,# Cf
None,# Es
None,# Fm
None,# Md
None,# No
None,# Lr
]
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