element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_aP30_2_3i_9i_3i
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x15', 'y15', 'z15']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['8.0183', '0.92165422', '0.89137348', '90.0532', '95.4194', '103.4407', '0.9957359', '0.24908564', '0.97057755', '0.70365761', '0.92863942', '0.2636599', '0.69816354', '0.42328826', '0.2611699', '0.10036925', '0.27363209', '0.66885072', '0.070004926', '0.76950658', '0.70132301', '0.19914831', '0.063638413', '0.033601289', '0.19668969', '0.53593213', '0.033711491', '0.52040478', '0.13161874', '0.2368768', '0.5178965', '0.62682008', '0.2342887', '0.23079468', '0.12906426', '0.40549465', '0.22781696', '0.48793282', '0.40621195', '0.27869739', '0.82007436', '0.27073528', '0.31578845', '0.045800599', '0.22929263', '0.31485542', '0.61185844', '0.2292518', '0.10420235', '0.27609926', '0.44201508']
Parameter values for parameter set 1:
['6.7775', '1.3825895', '0.99430468', '83.5094', '75.9601', '69.7373', '0.75709148', '0.0011147306', '0.73598857', '0.92299988', '0.33483882', '0.57277016', '0.26673272', '0.35208259', '0.90731832', '0.23178876', '0.40353274', '0.54135229', '0.61239375', '0.26425051', '0.63625742', '0.49465368', '0.13777657', '0.36197599', '0.6548869', '0.90512925', '0.11523013', '0.89834602', '0.94027959', '0.3712392', '0.80847639', '0.1347392', '0.045154102', '0.88477946', '0.40443359', '0.91223543', '0.027264404', '0.25524213', '0.23252552', '0.59809072', '0.3866145', '0.25192747', '0.47912857', '0.30143537', '0.45477333', '0.72490732', '0.015737688', '0.22911936', '0.83857573', '0.29268957', '0.10637066']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.9957359  0.24908564 0.97057755]
 [0.70365761 0.92863942 0.2636599 ]
 [0.69816354 0.42328826 0.2611699 ]
 [0.10036925 0.27363209 0.66885072]
 [0.07000493 0.76950658 0.70132301]
 [0.19914831 0.06363841 0.03360129]
 [0.19668969 0.53593213 0.03371149]
 [0.52040478 0.13161874 0.2368768 ]
 [0.5178965  0.62682008 0.2342887 ]
 [0.23079468 0.12906426 0.40549465]
 [0.22781696 0.48793282 0.40621195]
 [0.27869739 0.82007436 0.27073528]
 [0.31578845 0.0458006  0.22929263]
 [0.31485542 0.61185844 0.2292518 ]
 [0.10420235 0.27609926 0.44201508]]
spacegroup =  2
cell =  [[8.0183, 0, 0], [-1.7177463848797, 7.1876926316609, 0], [-0.67502960099312, -0.1681447993181, 7.1133648616]]
=========================================