element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mP48_14_ad7e_4e
Parameter names:
['a', 'b/a', 'c/a', 'beta', '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', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.5637', '0.64082237', '0.70845372', '134.8682', '0.73038232', '0.23425548', '0.51082416', '0.77374832', '0.082652172', '0.29309022', '0.24960055', '0.32459876', '0.75260547', '0.99054962', '0.70416014', '0.12203011', '0.49865211', '0.18752991', '0.09966747', '0.62791936', '0.93029778', '0.3672401', '0.15413141', '0.46058713', '0.40133319', '0.15974185', '0.62817267', '0.30513617', '0.65746554', '0.1088131', '0.31543533', '0.59506706', '0.86094786', '0.50404453', '0.10371885', '0.3726311', '0.50817076']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.         0.        ]
 [0.26961768 0.76574452 0.78044184]
 [0.22625168 0.91734783 0.5193419 ]
 [0.75039945 0.67540124 0.50300492]
 [0.00945038 0.29583986 0.13148049]
 [0.50134789 0.81247009 0.60101536]
 [0.37208064 0.06970222 0.73932074]
 [0.84586859 0.53941287 0.24720178]
 [0.84025815 0.37182733 0.14539432]
 [0.34253446 0.8911869  0.65796979]
 [0.40493294 0.13905214 0.90897747]
 [0.89628115 0.6273689  0.40445191]]
spacegroup =  14
cell =  [[8.9044, 0, 0], [0, 8.0511, 0], [-0.037361148275636, 0, 8.9007215878601]]
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