element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A3B5C_hR27_160_3b_6a3b_3a
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'z10', 'x11', 'z11', 'x12', 'z12', 'x13', 'z13', 'x14', 'z14', 'x15', 'z15']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['7.1780723', '3.5462661', '0.072847672', '0.28577901', '0.85207124', '0.38620145', '0.50035722', '0.61576313', '0.0072738479', '0.22146276', '0.78632559', '0.50205838', '0.0015456912', '0.29519493', '0.74625416', '0.70780726', '0.25685391', '0.86001593', '0.23554642', '0.32657063', '0.94999492', '0.63936691', '0.01169487']
Parameter values for parameter set 1:
['7.0905019', '3.635802', '0.16932263', '0.59781366', '0.84951157', '0.074387527', '0.72518771', '0.37923781', '0.010950328', '0.44448765', '0.2322586', '0.50499154', '0.98112355', '0.94201755', '0.46735296', '0.73778055', '0.21317071', '0.13048647', '0.50589536', '0.59266824', '0.21520442', '0.86417943', '0.24634796']
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 =  [[0.5001709  0.4998291  0.00188748]
 [0.18298026 0.81701974 0.11221467]
 [0.48365112 0.51634888 0.22415614]
 [0.         0.         0.07284767]
 [0.         0.         0.28577901]
 [0.         0.         0.85207124]
 [0.         0.         0.38620145]
 [0.         0.         0.50035722]
 [0.         0.         0.61576313]
 [0.54148984 0.45851016 0.31852609]
 [0.12552524 0.87447476 0.20104539]
 [0.54255735 0.45744265 0.09680956]
 [0.         0.         0.00727385]
 [0.         0.         0.22146276]
 [0.         0.         0.78632559]]
spacegroup =  160
cell =  [[7.1781, 0, 0], [-3.58905, 6.2164169509051, 0], [0, 0, 25.4554]]
=========================================