element(s):
['C', 'H', 'P']
AFLOW prototype label:
A3B9C_oP104_62_2c2d_2c8d_2c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['22.4019', '0.42150889', '0.24541222', '0.94803214', '0.25653964', '0.30506632', '0.71501351', '0.94985365', '0.056597876', '0.30371721', '0.91515041', '0.023273823', '0.39533155', '0.22948109', '0.579247', '0.94235689', '0.89946078', '0.77107205', '0.80454745', '0.89838558', '0.25028501', '0.076772665', '0.84389835', '0.68199442', '0.94819972', '0.88940683', '0.96902224', '0.89436532', '0.90278223', '0.72977123', '0.96232311', '0.99995531', '0.71075636', '0.67039606', '0.65595159', '0.34728072', '0.79931974', '0.88447946', '0.052569513', '0.85243325', '0.90314928', '0.29274053', '0.78411506', '0.99934915', '0.30476316']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'P', 'P']
representative atom coordinates =  [[0.94803214 0.25       0.25653964]
 [0.30506632 0.25       0.71501351]
 [0.94235689 0.89946078 0.77107205]
 [0.80454745 0.89838558 0.25028501]
 [0.94985365 0.25       0.05659788]
 [0.30371721 0.25       0.91515041]
 [0.07677267 0.84389835 0.68199442]
 [0.94819972 0.88940683 0.96902224]
 [0.89436532 0.90278223 0.72977123]
 [0.96232311 0.99995531 0.71075636]
 [0.67039606 0.65595159 0.34728072]
 [0.79931974 0.88447946 0.05256951]
 [0.85243325 0.90314928 0.29274053]
 [0.78411506 0.99934915 0.30476316]
 [0.02327382 0.25       0.39533155]
 [0.22948109 0.25       0.579247  ]]
spacegroup =  62
cell =  [[22.4019, 0, 0], [0, 9.4426, 0], [0, 0, 5.4977]]
=========================================