element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A2B4C_hP14_186_ab_bc_b
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'x5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5468', '1.3401961', '0.55315574', '0.82683114', '0.55579836', '0.33848546', '0.16994112', '0.27480827']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.         0.55315574]
 [0.33333333 0.66666667 0.82683114]
 [0.33333333 0.66666667 0.55579836]
 [0.16994112 0.83005888 0.27480827]
 [0.33333333 0.66666667 0.33848546]]
spacegroup =  186
cell =  [[5.5468, 0, 0], [-2.7734, 4.8036697097115, 0], [0, 0, 7.4338]]
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