element(s):
['Ca', 'Si']
AFLOW prototype label:
A5B3_tI32_140_cl_ah
Parameter names:
['a', 'c/a', 'x3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.6355', '1.9327222', '0.6125827', '0.82061071', '0.14040485']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.82061071 0.32061071 0.14040485]
 [0.         0.         0.25      ]
 [0.6125827  0.1125827  0.        ]]
spacegroup =  140
cell =  [[7.6355, 0, 0], [0, 7.6355, 0], [0, 0, 14.7573]]
=========================================