element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A6B5C14_oC100_36_2a2b_a2b_4a5b
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.3819', '0.97363358', '0.91312523', '0.29890126', '0.44063305', '0.99901188', '0.46256069', '0.52500494', '0.24155641', '0.62660688', '0.56733523', '0.14578739', '0.38760331', '0.006839678', '0.63125778', '0.30004762', '0.60948704', '0.85678445', '0.64592765', '0.5086106', '0.24447962', '0.40181924', '0.47598591', '0.65856877', '0.60592673', '0.24963754', '0.85820481', '0.81764976', '0.1988807', '0.78540962', '0.77689081', '0.57604278', '0.7737112', '0.52535548', '0.58470924', '0.37283408', '0.43579295', '0.38469031', '0.84038972', '0.64887544', '0.33982743', '0.12572893', '0.36917156', '0.37284874']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
representative atom coordinates =  [[0.         0.29890126 0.44063305]
 [0.         0.99901188 0.46256069]
 [0.35678445 0.14592765 0.5086106 ]
 [0.74447962 0.90181924 0.47598591]
 [0.         0.52500494 0.24155641]
 [0.15856877 0.10592673 0.24963754]
 [0.35820481 0.31764976 0.1988807 ]
 [0.         0.62660688 0.56733523]
 [0.         0.14578739 0.38760331]
 [0.         0.00683968 0.63125778]
 [0.         0.30004762 0.60948704]
 [0.28540962 0.27689081 0.57604278]
 [0.2737112  0.02535548 0.58470924]
 [0.87283408 0.93579295 0.38469031]
 [0.34038972 0.14887544 0.33982743]
 [0.62572893 0.86917156 0.37284874]]
spacegroup =  36
cell =  [[11.3819, 0, 0], [0, 11.0818, 0], [0, 0, 10.3931]]
=========================================