element(s):
['C', 'O']
AFLOW prototype label:
AB_hR16_161_ab_ab
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.112216', '1.3658646', '0.040482743', '0.95775785', '0.039673472', '0.53457745', '0.2536623', '0.92025972', '0.44527309', '0.26211337']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'O', 'O']
representative atom coordinates =  [[0.         0.         0.04048274]
 [0.7637024  0.02230877 0.27597107]
 [0.         0.         0.95775785]
 [0.37771099 0.28043536 0.54254873]]
spacegroup =  161
cell =  [[10.1122, 0, 0], [-5.0561, 8.757422088149, 0], [0, 0, 13.8119]]
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