element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A2BC4_mP14_11_2e_e_4e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.1131', '0.53544868', '0.78888248', '101.1618', '0.87112371', '0.84730624', '0.88750945', '0.34501078', '0.42808559', '0.73183642', '0.69257092', '0.058315623', '0.69669848', '0.54402602', '0.074478595', '0.64303463', '0.07112235', '0.14159998']
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 =  [[0.15269376 0.25       0.87112371]
 [0.65498922 0.25       0.88750945]
 [0.26816358 0.25       0.42808559]
 [0.94168438 0.25       0.69257092]
 [0.45597398 0.25       0.69669848]
 [0.35696537 0.25       0.07447859]
 [0.85840002 0.25       0.07112235]]
spacegroup =  11
cell =  [[5.6114, 0, 0], [0, 3.8087, 0], [1.3769559595397, 0, 6.9785517047227]]
=========================================