element(s):
['C', 'H', 'O']
AFLOW prototype label:
AB2C_oP80_60_c2d_5d_c2d
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3779', '1.302355', '0.93903007', '0.0055976307', '0.39603281', '0.27320821', '0.63725026', '0.30410201', '0.40956961', '0.82695426', '0.36824384', '0.45774976', '0.44813508', '0.35556668', '0.30552576', '0.60793114', '0.43384904', '0.14950563', '0.61134274', '0.2752196', '0.48557147', '0.75967684', '0.43446358', '0.360958', '0.89501794', '0.45691948', '0.37316064', '0.57693153', '0.18202617', '0.27834912', '0.76608798', '0.28823648']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O']
representative atom coordinates =  [[0.         0.00559763 0.25      ]
 [0.27320821 0.63725026 0.30410201]
 [0.40956961 0.82695426 0.36824384]
 [0.45774976 0.44813508 0.35556668]
 [0.30552576 0.60793114 0.43384904]
 [0.14950563 0.61134274 0.2752196 ]
 [0.48557147 0.75967684 0.43446358]
 [0.360958   0.89501794 0.45691948]
 [0.         0.39603281 0.25      ]
 [0.37316064 0.57693153 0.18202617]
 [0.27834912 0.76608798 0.28823648]]
spacegroup =  60
cell =  [[8.3779, 0, 0], [0, 10.911, 0], [0, 0, 7.8671]]
=========================================