element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A2B4C_oP84_33_6a_12a_3a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', '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', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['20.5322', '0.4546225', '0.27253777', '0.55779881', '0.94154448', '0.71547666', '0.89024905', '0.92514287', '0.73393199', '0.0038360964', '0.19991421', '0.70781156', '0.33634855', '0.20440315', '0.76282213', '0.67055603', '0.21003991', '0.74314867', '0.2209035', '0.92591145', '0.76349426', '0.38599584', '0.55144423', '0.15767689', '0.17187831', '0.45637921', '0.19647062', '0.07699285', '0.33864624', '0.47147384', '0.079240649', '0.29159226', '0.99905673', '0.049100452', '0.55299299', '0.16427925', '0.39345997', '0.35274244', '0.49435672', '0.50259554', '0.45120814', '0.31294414', '0.42362606', '0.28372279', '0.032955053', '0.33411578', '0.048159256', '0.19299315', '0.22023406', '0.92952261', '0.33824005', '0.22123741', '0.13274123', '0.010836233', '0.24985662', '0.20416559', '0.46558495', '0.74165783', '0.92060323', '0.75905522', '0.07208541', '0.90847481', '0.74106067', '0.40423821', '0.90936278', '0.71093121']
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', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.55779881 0.94154448 0.71547666]
 [0.89024905 0.92514287 0.73393199]
 [0.0038361  0.19991421 0.70781156]
 [0.33634855 0.20440315 0.76282213]
 [0.67055603 0.21003991 0.74314867]
 [0.2209035  0.92591145 0.76349426]
 [0.38599584 0.55144423 0.15767689]
 [0.17187831 0.45637921 0.19647062]
 [0.07699285 0.33864624 0.47147384]
 [0.07924065 0.29159226 0.99905673]
 [0.04910045 0.55299299 0.16427925]
 [0.39345997 0.35274244 0.49435672]
 [0.50259554 0.45120814 0.31294414]
 [0.42362606 0.28372279 0.03295505]
 [0.33411578 0.04815926 0.19299315]
 [0.22023406 0.92952261 0.33824005]
 [0.22123741 0.13274123 0.01083623]
 [0.24985662 0.20416559 0.46558495]
 [0.74165783 0.92060323 0.75905522]
 [0.07208541 0.90847481 0.74106067]
 [0.40423821 0.90936278 0.71093121]]
spacegroup =  33
cell =  [[20.5322, 0, 0], [0, 9.3344, 0], [0, 0, 5.5958]]
=========================================