element(s):
['Ca', 'H', 'O', 'Si']
AFLOW prototype label:
A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', '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', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.1079', '0.74669318', '0.24743282', '0.46769015', '0.027426556', '0.49370343', '0.27383318', '0.71355184', '0.32973734', '0.37862642', '0.49910242', '0.70857813', '0.70839953', '0.74848209', '0.71211552', '0.71602626', '0.24193526', '0.33321892', '0.37515853', '0.99250037', '0.84136616', '0.51437753', '0.24694019', '0.84610762', '0.33783476', '0.4928502', '0.82925431', '0.33057348', '0.99661955', '0.83315892', '0.49578682', '0.74271748', '0.26253695', '0.48577163', '0.22273078', '0.26484408', '0.48652805', '0.76498404', '0.81980297', '0.88891664', '0.97573891', '0.81915581', '0.88948138', '0.51877947', '0.88173756', '0.62430713', '0.2515668', '0.87102586', '0.60522285', '0.73951792', '0.59903251', '0.53800646', '0.0015689828', '0.59164684', '0.54766064', '0.48968901']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.71195975 0.71555575 0.49910242]
 [0.04173286 0.66648807 0.74848209]
 [0.04935959 0.67057741 0.24193526]
 [0.70849186 0.70860628 0.99250037]
 [0.84771086 0.33967804 0.24694019]
 [0.67116809 0.15839381 0.4928502 ]
 [0.66390681 0.16798584 0.99661955]
 [0.82912015 0.32929457 0.74271748]
 [0.33333333 0.66666667 0.24743282]
 [0.         0.         0.49370343]
 [0.81910496 0.88990135 0.22273078]
 [0.81986138 0.88835064 0.76498404]
 [0.22224997 0.73578034 0.97573891]
 [0.22281471 0.73699224 0.51877947]
 [0.95764046 0.40923624 0.2515668 ]
 [0.93855618 0.40086366 0.73951792]
 [0.87133979 0.60564062 0.00156898]
 [0.88099397 0.62268047 0.48968901]
 [0.33333333 0.66666667 0.46769015]
 [0.33333333 0.66666667 0.02742656]
 [0.         0.         0.27383318]
 [0.         0.         0.71355184]]
spacegroup =  143
cell =  [[10.1079, 0, 0], [-5.05395, 8.7536981789127, 0], [0, 0, 7.5475]]
=========================================