element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_mC120_15_c3ef_9f_3f
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y2', 'y3', 'y4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', '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', 'x17', 'y17', 'z17']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.9082', '1.735358', '3.0234214', '108.6507', '0.40655578', '0.078627508', '0.75590335', '0.23683671', '0.91400252', '8.2178727e-05', '0.56889531', '0.96841358', '0.37484754', '0.23610187', '0.082546011', '0.37631899', '0.14418434', '0.7646386', '0.05251622', '0.20231456', '0.89935818', '0.30638954', '0.57221105', '0.19244397', '0.37384806', '0.1064571', '0.079799042', '0.056433313', '0.26039576', '0.077687961', '0.20195344', '0.29228968', '0.76203915', '0.19736748', '0.35395104', '0.90435927', '0.45189388', '0.33211242', '0.21099019', '0.37504687', '0.28501838', '0.079574951', '0.12787147', '0.3298942', '0.95267044', '0.37779713']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.65655578 0.25      ]
 [0.         0.32862751 0.25      ]
 [0.         0.00590335 0.25      ]
 [0.51324547 0.16400252 0.49991782]
 [0.55595223 0.21841358 0.12515246]
 [0.39021712 0.83254601 0.12368101]
 [0.65833188 0.0146386  0.44748378]
 [0.85407498 0.14935818 0.19361046]
 [0.05163701 0.94244397 0.12615194]
 [0.19997621 0.82979904 0.44356669]
 [0.19155768 0.82768796 0.29804656]
 [0.6550778  0.01203915 0.30263252]
 [0.84794284 0.15435927 0.04810612]
 [0.29293445 0.96099019 0.12495313]
 [0.09285309 0.82957495 0.37212853]
 [0.79790293 0.20267044 0.12220287]]
spacegroup =  15
cell =  [[6.9082, 0, 0], [0, 11.9882, 0], [0.22876416524703, 0, 19.789577806681]]
=========================================