element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB5C2_aP32_2_2i_10i_be3i
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3121', '1.0429972', '0.90619658', '81.4657', '84.8904', '69.5232', '0.97127232', '0.28634167', '0.88952091', '0.54154437', '0.17907748', '0.68359548', '0.89954245', '0.039867596', '0.25140484', '0.39881354', '0.51341215', '0.74801532', '0.34758436', '0.74175359', '0.02394655', '0.69536981', '0.56523004', '0.87918659', '0.77355791', '0.62253698', '0.47845873', '0.81002745', '0.91861989', '0.61565122', '0.30048927', '0.11246898', '0.92632539', '0.84240142', '0.24435074', '0.55031107', '0.50191015', '0.86543536', '0.67292103', '0.0038954767', '0.59790901', '0.78130601', '0.75299418', '0.72063101', '0.69834653', '0.80156893', '0.42969912', '0.37424781', '0.31625586', '0.9206846', '0.83960345']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.97127232 0.28634167 0.88952091]
 [0.54154437 0.17907748 0.68359548]
 [0.89954245 0.0398676  0.25140484]
 [0.39881354 0.51341215 0.74801532]
 [0.34758436 0.74175359 0.02394655]
 [0.69536981 0.56523004 0.87918659]
 [0.77355791 0.62253698 0.47845873]
 [0.81002745 0.91861989 0.61565122]
 [0.30048927 0.11246898 0.92632539]
 [0.84240142 0.24435074 0.55031107]
 [0.50191015 0.86543536 0.67292103]
 [0.00389548 0.59790901 0.78130601]
 [0.         0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.75299418 0.72063101 0.69834653]
 [0.80156893 0.42969912 0.37424781]
 [0.31625586 0.9206846  0.83960345]]
spacegroup =  2
cell =  [[7.3121, 0, 0], [2.6679638417643, 7.1446113392569, 0], [0.59013721675955, 0.82929080244785, 6.5475599478257]]
=========================================