element(s):
['Si']
AFLOW prototype label:
A_hP68_194_ef2h2kl
Parameter names:
['a', 'c/a', 'z1', 'z2', 'x3', 'x4', 'x5', 'z5', 'x6', 'z6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.4152', '1.6357247', '0.31830311', '0.81966704', '0.46519346', '0.20236843', '0.54218647', '0.36473096', '0.87644393', '0.86132444', '0.33059886', '0.28059813', '0.064561489']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.31830311]
 [0.33333333 0.66666667 0.31966704]
 [0.53480654 0.06961308 0.25      ]
 [0.79763157 0.59526314 0.25      ]
 [0.54218647 0.08437294 0.63526904]
 [0.87644393 0.75288786 0.13867556]
 [0.28059813 0.94999927 0.06456149]]
spacegroup =  194
cell =  [[10.4152, 0, 0], [-5.2076, 9.0198277854957, 0], [0, 0, 17.0364]]
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