element(s):
['Al', 'Ca', 'O', 'Si']
AFLOW prototype label:
A12BC27D4_hP44_147_2g_a_bd4g_2d
Parameter names:
['a', 'c/a', 'z3', 'z4', '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:
['7.3078', '1.1894277', '0.75063759', '0.1412309', '0.55331834', '0.63274806', '0.085688031', '0.134954', '0.050128126', '0.25691091', '0.35291777', '0.30191187', '0.45698733', '0.00062729633', '0.81999276', '0.044896643', '0.24091541', '0.10387503', '0.4917248', '0.23807154', '0.25489954', '0.42058405', '0.50800704']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[9.1431197e-01 5.4706003e-01 1.3495400e-01]
 [7.4308909e-01 7.9321722e-01 3.5291777e-01]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]
 [3.3333333e-01 6.6666667e-01 7.5063759e-01]
 [5.4301267e-01 8.4492454e-01 6.2729633e-04]
 [9.5510336e-01 7.7509612e-01 2.4091541e-01]
 [5.0827520e-01 6.1215023e-01 2.3807154e-01]
 [5.7941595e-01 8.3431549e-01 5.0800704e-01]
 [3.3333333e-01 6.6666667e-01 1.4123090e-01]
 [3.3333333e-01 6.6666667e-01 5.5331834e-01]]
spacegroup =  147
cell =  [[7.3078, 0, 0], [-3.6539, 6.3287404457759, 0], [0, 0, 8.6921]]
=========================================