element(s):
['Ca', 'H', 'O', 'Si']
AFLOW prototype label:
A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'y7', 'z7', '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', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['20.7505', '0.50509626', '0.44380617', '0.37942667', '0.78739139', '0.88963538', '0.26951641', '0.66260155', '0.54633764', '0.98819337', '0.78771117', '0.045955259', '0.53274724', '0.95388268', '0.51657668', '0.98290451', '0.89336796', '0.36296868', '0.90510028', '0.56173836', '0.35352169', '0.40095184', '0.44013226', '0.35128739', '0.15957295', '0.51602588', '0.44726846', '0.11851224', '0.16703903', '0.33170272', '0.2185833', '0.59460089', '0.3878413', '0.067748638', '0.40705511', '0.32656071', '0.018266597', '0.1521098', '0.32947064', '0.7578677', '0.37914778', '0.33866371', '0.75722335', '0.73490962', '0.38964177', '0.046295614', '0.76341842', '0.44151591', '0.78121975', '0.23213813', '0.46351481', '0.35441237', '0.4572244', '0.47471546', '0.85764997', '0.57154484', '0.37323924', '0.11769023', '0.24173135', '0.49618991', '0.28606074', '0.59534554', '0.37358292', '0.19772832', '0.750556']
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', 'Ca', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.37942667]
 [0.         0.         0.78739139]
 [0.25       0.38963538 0.76951641]
 [0.25       0.16260155 0.04633764]
 [0.36296868 0.40510028 0.06173836]
 [0.35352169 0.90095184 0.94013226]
 [0.25       0.48819337 0.28771117]
 [0.25       0.54595526 0.03274724]
 [0.35128739 0.65957295 0.01602588]
 [0.25       0.45388268 0.01657668]
 [0.25       0.48290451 0.39336796]
 [0.44726846 0.61851224 0.66703903]
 [0.33170272 0.7185833  0.09460089]
 [0.3878413  0.56774864 0.90705511]
 [0.32656071 0.5182666  0.6521098 ]
 [0.32947064 0.2578677  0.87914778]
 [0.33866371 0.25722335 0.23490962]
 [0.38964177 0.54629561 0.26341842]
 [0.44151591 0.28121975 0.73213813]
 [0.46351481 0.85441237 0.9572244 ]
 [0.47471546 0.35764997 0.07154484]
 [0.37323924 0.61769023 0.74173135]
 [0.49618991 0.78606074 0.09534554]
 [0.37358292 0.69772832 0.250556  ]]
spacegroup =  40
cell =  [[20.7505, 0, 0], [0, 10.481, 0], [0, 0, 9.2092]]
=========================================