element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A4BC7_mC48_15_2f_e_e3f
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['13.016', '0.68880608', '0.96685618', '155.2883', '0.94099368', '0.2181421', '0.61114952', '0.83636757', '0.69727337', '0.12808693', '0.69047253', '0.75823917', '0.29922667', '0.80218003', '0.43386708', '0.22109776', '0.5049619', '0.85237716', '0.86276314', '0.69370626', '0.42020858']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ca', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.83612385 0.58636757 0.47497433]
 [0.88015224 0.94047253 0.50206531]
 [0.         0.69099368 0.25      ]
 [0.         0.9681421  0.25      ]
 [0.88464041 0.55218003 0.83541374]
 [0.3812794  0.2549619  0.41018164]
 [0.80744544 0.94370626 0.6946823 ]]
spacegroup =  15
cell =  [[14.4119, 0, 0], [0, 8.9655, 0], [-2.7587433929467, 0, 4.7514910693247]]
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