element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A12BC19_hP64_194_ab2fk_c_efh2k
Parameter names:
['a', 'c/a', 'z4', 'z5', 'z6', 'z7', 'x8', 'x9', 'z9', 'x10', 'z10', 'x11', 'z11']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6143', '3.9269722', '0.14995523', '0.52806807', '0.69101542', '0.4452859', '0.81846419', '0.1684191', '0.10954393', '0.1551535', '0.94771108', '0.50349011', '0.85050882']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Ca', 'O', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.25      ]
 [0.33333333 0.66666667 0.52806807]
 [0.33333333 0.66666667 0.69101542]
 [0.1684191  0.3368382  0.10954393]
 [0.33333333 0.66666667 0.25      ]
 [0.         0.         0.14995523]
 [0.33333333 0.66666667 0.4452859 ]
 [0.81846419 0.63692838 0.25      ]
 [0.1551535  0.310307   0.94771108]
 [0.50349011 0.00698022 0.85050882]]
spacegroup =  194
cell =  [[5.6143, 0, 0], [-2.80715, 4.862126424467, 0], [0, 0, 22.0472]]
=========================================