element(s):
['H', 'O']
AFLOW prototype label:
AB_tP16_92_b_b
Parameter names:
['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.3303', '3.4415518', '0.87168765', '0.41875442', '0.0064889194', '0.16347125', '0.096676489', '0.28529579']
Parameter values for parameter set 1:
['4.1409', '1.8812335', '0.92909713', '0.29905445', '0.12597662', '0.05296338', '0.18333488', '0.21882133']
Parameter values for parameter set 2:
['3.326', '3.4024053', '0.8100756', '0.35315499', '0.0064663943', '0.22091196', '0.035440868', '0.28718425']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'O']
representative atom coordinates =  [[0.87168765 0.41875442 0.00648892]
 [0.16347125 0.09667649 0.28529579]]
spacegroup =  92
cell =  [[3.3303, 0, 0], [0, 3.3303, 0], [0, 0, 11.4614]]
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