element(s):
['H', 'O', 'Si']
AFLOW prototype label:
A6BC2_oP36_19_6a_a_2a
Parameter names:
['a', 'b/a', 'c/a', '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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9298', '1.6204308', '2.7654469', '0.043386335', '0.35411576', '0.014480046', '0.070923667', '0.64901647', '0.058915407', '0.447792', '0.51458097', '0.97384602', '0.75482173', '0.24913544', '0.2047219', '0.41963124', '0.32826479', '0.32810503', '0.29726998', '0.13140534', '0.19804245', '0.36100599', '0.44316801', '0.15575091', '0.22833848', '0.4909695', '0.047884466', '0.46146669', '0.28219456', '0.22331125']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.04338633 0.35411576 0.01448005]
 [0.07092367 0.64901647 0.05891541]
 [0.447792   0.51458097 0.97384602]
 [0.75482173 0.24913544 0.2047219 ]
 [0.41963124 0.32826479 0.32810503]
 [0.29726998 0.13140534 0.19804245]
 [0.36100599 0.44316801 0.15575091]
 [0.22833848 0.4909695  0.04788447]
 [0.46146669 0.28219456 0.22331125]]
spacegroup =  19
cell =  [[4.9298, 0, 0], [0, 7.9884, 0], [0, 0, 13.6331]]
=========================================