element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A2B4C_mP56_14_4e_8e_2e
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:
['12.3463', '0.79224545', '0.80894681', '137.4248', '0.82594467', '0.57750469', '0.75248132', '0.67138639', '0.57911265', '0.26329253', '0.39185971', '0.7165206', '0.32337901', '0.88492123', '0.945726', '0.67496883', '0.87944367', '0.69635945', '0.34493275', '0.93851189', '0.6233752', '0.64469438', '0.046672054', '0.86789107', '0.64450188', '0.18681294', '0.62508968', '0.69812616', '0.59647375', '0.54285851', '0.42303177', '0.28628268', '0.50589687', '0.15042073', '0.47775484', '0.2846303', '0.35849665', '0.45430688', '0.40749542', '0.093536977', '0.020131565', '0.70381202', '0.59020754', '0.45555097', '0.43028788', '0.25978851']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.17405533 0.57750469 0.07346335]
 [0.32861361 0.57911265 0.40809386]
 [0.60814029 0.7165206  0.0684807 ]
 [0.11507877 0.945726   0.2099524 ]
 [0.12055633 0.69635945 0.53451092]
 [0.06148811 0.6233752  0.29381751]
 [0.95332795 0.86789107 0.40217017]
 [0.81318706 0.62508968 0.48868678]
 [0.40352625 0.54285851 0.17344198]
 [0.71371732 0.50589687 0.13586195]
 [0.52224516 0.2846303  0.11925819]
 [0.54569312 0.40749542 0.3607699 ]
 [0.97986843 0.70381202 0.42992402]
 [0.54444903 0.43028788 0.19576246]]
spacegroup =  14
cell =  [[8.4009, 0, 0], [0, 9.7813, 0], [1.0649868886538, 0, 9.9305568412348]]
=========================================