element(s):
['Al', 'O']
AFLOW prototype label:
A2B3_oP40_33_4a_6a
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', 'x10', 'y10', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8852', '1.718599', '1.8475395', '0.18580639', '0.8463828', '0.65702946', '0.32650992', '0.030701775', '0.36828859', '0.32256152', '0.3475339', '0.56899053', '0.31546298', '0.66013996', '0.37825664', '0.47768196', '0.82436666', '0.49680587', '0.52118114', '0.51178569', '0.50382021', '0.15717832', '0.16873177', '0.24227731', '0.15696299', '0.49873703', '0.27450837', '0.98087873', '0.3314869', '0.50965875', '0.15591305', '0.83895803', '0.26776427']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.18580639 0.8463828  0.65702946]
 [0.32650992 0.03070178 0.36828859]
 [0.32256152 0.3475339  0.56899053]
 [0.31546298 0.66013996 0.37825664]
 [0.47768196 0.82436666 0.49680587]
 [0.52118114 0.51178569 0.50382021]
 [0.15717832 0.16873177 0.24227731]
 [0.15696299 0.49873703 0.27450837]
 [0.98087873 0.3314869  0.50965875]
 [0.15591305 0.83895803 0.26776427]]
spacegroup =  33
cell =  [[4.8852, 0, 0], [0, 8.3957, 0], [0, 0, 9.0256]]
=========================================