element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mP54_13_ae8g_f4g
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y2', 'y3', 'x4', 'y4', 'z4', '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']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4722', '1.1847649', '2.3698375', '116.1632', '0.29340794', '0.49708126', '0.075405634', '0.27699084', '0.971243', '0.71632516', '0.19996534', '0.95436986', '0.022237329', '0.22048636', '0.10810871', '0.68039175', '0.49136786', '0.97763121', '0.63910818', '0.69465284', '0.077027513', '0.95140278', '0.50722618', '0.1370165', '0.69196333', '0.38671742', '0.27510364', '0.47496446', '0.61165034', '0.17485345', '0.95572711', '0.17479778', '0.0098159899', '0.80053151', '0.60394297', '0.055781708', '0.92988295', '0.35145334', '0.32041137', '0.42957401', '0.65424317', '0.079720283']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.29340794 0.25      ]
 [0.07540563 0.27699084 0.971243  ]
 [0.71632516 0.19996534 0.95436986]
 [0.02223733 0.22048636 0.10810871]
 [0.68039175 0.49136786 0.97763121]
 [0.63910818 0.69465284 0.07702751]
 [0.95140278 0.50722618 0.1370165 ]
 [0.69196333 0.38671742 0.27510364]
 [0.47496446 0.61165034 0.17485345]
 [0.5        0.49708126 0.25      ]
 [0.95572711 0.17479778 0.00981599]
 [0.80053151 0.60394297 0.05578171]
 [0.92988295 0.35145334 0.32041137]
 [0.42957401 0.65424317 0.07972028]]
spacegroup =  13
cell =  [[7.4722, 0, 0], [0, 8.8528, 0], [-7.8079349549867, 0, 15.893579651818]]
=========================================