element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC72_8_4a10b_6b
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', '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', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.4908', '1.4535879', '0.85881916', '74.5131', '0.24616373', '0.28247793', '0.76543584', '0.69548932', '0.12025346', '0.74263471', '0.87659597', '0.28371303', '0.56039698', '0.62039546', '0.28702385', '0.18159256', '0.11548908', '0.51253531', '0.44394395', '0.62094608', '0.71536991', '0.65735817', '0.66553901', '0.8008207', '0.3120094', '0.16693981', '0.23371115', '0.68927164', '0.16138536', '0.77730289', '0.49671207', '0.77487926', '0.99715436', '0.74402029', '0.24996152', '0.0074115074', '0.82343831', '0.12956118', '0.48985132', '0.34851968', '0.66080169', '0.19405024', '0.35060109', '0.75463974', '0.10727636', '0.80605312', '0.102853', '0.66941363', '0.40261412', '0.60267515', '0.314305', '0.64676481', '0.7570245', '0.89628234', '0.19956881', '0.10065051', '0.32910572', '0.1007455', '0.10064773', '0.69174323']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.75383627 0.         0.71752207]
 [0.23456416 0.         0.30451068]
 [0.87974654 0.         0.25736529]
 [0.12340403 0.         0.71628697]
 [0.43960302 0.62039546 0.71297615]
 [0.81840744 0.11548908 0.48746469]
 [0.55605605 0.62094608 0.28463009]
 [0.34264183 0.66553901 0.1991793 ]
 [0.6879906  0.16693981 0.76628885]
 [0.31072836 0.16138536 0.22269711]
 [0.50328793 0.77487926 0.00284564]
 [0.25597971 0.24996152 0.99258849]
 [0.17656169 0.12956118 0.51014868]
 [0.65148032 0.66080169 0.80594976]
 [0.64939891 0.75463974 0.89272364]
 [0.19394688 0.102853   0.33058637]
 [0.59738588 0.60267515 0.685695  ]
 [0.35323519 0.7570245  0.10371766]
 [0.80043119 0.10065051 0.67089428]
 [0.8992545  0.10064773 0.30825677]]
spacegroup =  8
cell =  [[10.4908, 0, 0], [0, 15.2493, 0], [2.405752492906, 0, 8.6825715679674]]
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