element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A3B5C_mC54_8_3a3b_9a3b_3a
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'z9', 'x10', 'z10', 'x11', 'z11', 'x12', 'z12', 'x13', 'z13', 'x14', 'z14', 'x15', '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:
['12.4033', '0.57759628', '0.9657188', '133.753', '0.031650806', '0.32071133', '0.95983675', '0.67801923', '0.51343087', '0.0096214455', '0.30149763', '0.45131852', '0.0029943997', '0.50513678', '0.91803675', '0.063256047', '0.64162026', '0.27463756', '0.87194075', '0.81133456', '0.69049868', '0.52955215', '0.76655934', '0.14870021', '0.26134485', '0.89145177', '0.34970353', '0.71183554', '0.43069994', '0.64531127', '0.56161965', '0.34066414', '0.00018156839', '0.99974051', '0.75645761', '0.24119291', '0.012256696', '0.80375968', '0.77409786', '0.31855953', '0.19739195', '0.23939895', '0.67601528', '0.60310106', '0.68778974', '0.058897812', '0.95774636', '0.31250488', '0.28009789', '0.038285454', '0.31240887', '0.71292727']
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 =  [[3.1650806e-02 0.0000000e+00 3.2071133e-01]
 [9.5983675e-01 0.0000000e+00 6.7801923e-01]
 [5.1343087e-01 0.0000000e+00 9.6214455e-03]
 [7.5645761e-01 2.4119291e-01 1.2256696e-02]
 [8.0375968e-01 7.7409786e-01 3.1855953e-01]
 [1.9739195e-01 2.3939895e-01 6.7601528e-01]
 [3.0149763e-01 0.0000000e+00 4.5131852e-01]
 [2.9943997e-03 0.0000000e+00 5.0513678e-01]
 [9.1803675e-01 0.0000000e+00 6.3256047e-02]
 [6.4162026e-01 0.0000000e+00 2.7463756e-01]
 [8.7194075e-01 0.0000000e+00 8.1133456e-01]
 [6.9049868e-01 0.0000000e+00 5.2955215e-01]
 [7.6655934e-01 0.0000000e+00 1.4870021e-01]
 [2.6134485e-01 0.0000000e+00 8.9145177e-01]
 [3.4970353e-01 0.0000000e+00 7.1183554e-01]
 [6.0310106e-01 6.8778974e-01 5.8897812e-02]
 [9.5774636e-01 3.1250488e-01 2.8009789e-01]
 [3.8285454e-02 3.1240887e-01 7.1292727e-01]
 [4.3069994e-01 0.0000000e+00 6.4531127e-01]
 [5.6161965e-01 0.0000000e+00 3.4066414e-01]
 [1.8156839e-04 0.0000000e+00 9.9974051e-01]]
spacegroup =  8
cell =  [[12.4033, 0, 0], [0, 7.1641, 0], [-8.2834655684532, 0, 8.6521140645654]]
=========================================