element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A2BC4_mP56_14_4e_2e_8e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', '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', 'x14', 'y14', 'z14']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.5588', '0.69305985', '0.8263608', '140.3881', '0.2937267', '0.60730344', '0.17779651', '0.6950723', '0.59731426', '0.58475805', '0.82094708', '0.44280565', '0.45980482', '0.22439332', '0.44111634', '0.85637145', '0.53301962', '0.75591916', '0.17722301', '0.99526042', '0.78267701', '0.6210652', '0.34744196', '0.56730974', '0.064870676', '0.72953192', '0.57680821', '0.26692889', '0.15250204', '0.75695644', '0.080651764', '0.48830258', '0.65704444', '0.42728962', '0.2156789', '0.43395531', '0.17670751', '0.71425769', '0.42539828', '0.51100568', '0.76859391', '0.75613842', '0.56110163', '0.020236154', '0.51464134', '0.68953874']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.7062733  0.60730344 0.11593019]
 [0.3049277  0.59731426 0.11031425]
 [0.17905292 0.44280565 0.36114226]
 [0.77560668 0.44111634 0.36802187]
 [0.46698038 0.75591916 0.35579661]
 [0.00473958 0.78267701 0.37419522]
 [0.65255804 0.56730974 0.28257128]
 [0.27046808 0.57680821 0.46260303]
 [0.84749796 0.75695644 0.07185028]
 [0.51169742 0.65704444 0.06101296]
 [0.7843211  0.43395531 0.03897139]
 [0.28574231 0.42539828 0.20325201]
 [0.23140609 0.75613842 0.20749228]
 [0.97976385 0.51464134 0.33069741]]
spacegroup =  14
cell =  [[8.0381, 0, 0], [0, 8.704, 0], [0.90770480732815, 0, 10.338328278438]]
=========================================