element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4868', '0.34394406']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.34394406 0.34394406 0.34394406]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.4868, 0, 0], [0, 4.4868, 0], [0, 0, 4.4868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:45:52     -227.737908        1.1103
BFGS:    1 11:45:52     -227.903974        0.9592
BFGS:    2 11:45:52     -228.222261        0.7198
BFGS:    3 11:45:52     -228.292158        0.5276
BFGS:    4 11:45:52     -228.323315        0.4105
BFGS:    5 11:45:52     -228.357113        0.2802
BFGS:    6 11:45:52     -228.382654        0.1943
BFGS:    7 11:45:52     -228.394260        0.0489
BFGS:    8 11:45:52     -228.395222        0.0099
BFGS:    9 11:45:52     -228.395419        0.0007
BFGS:   10 11:45:52     -228.395422        0.0000
BFGS:   11 11:45:52     -228.395431        0.0000
BFGS:   12 11:45:52     -228.395433        0.0000
BFGS:   13 11:45:52     -228.395428        0.0000
BFGS:   14 11:45:52     -228.395428        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.975686690853032e-09 eV/Angstrom
Maximum stress component: 8.691019624152551e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.33517548 0.33517548 0.33517548]
 [0.16482452 0.66482452 0.83517548]
 [0.66482452 0.83517548 0.16482452]
 [0.83517548 0.16482452 0.66482452]
 [0.66482452 0.66482452 0.66482452]
 [0.83517548 0.33517548 0.16482452]
 [0.33517548 0.16482452 0.83517548]
 [0.16482452 0.83517548 0.33517548]
 [0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]]
cellpar =  Cell([[4.408411043697668, -1.1522422089462096e-36, 0.0], [2.1388788881616675e-37, 4.408411043697668, 0.0], [0.0, 0.0, 4.408411043697668]])
forces =  [[-1.97568669e-09 -1.97568669e-09 -1.97568669e-09]
 [ 1.97568669e-09  1.97568669e-09 -1.97568669e-09]
 [ 1.97568669e-09 -1.97568669e-09  1.97568669e-09]
 [-1.97568669e-09  1.97568669e-09  1.97568669e-09]
 [ 1.97568669e-09  1.97568669e-09  1.97568669e-09]
 [-1.97568669e-09 -1.97568669e-09  1.97568669e-09]
 [-1.97568669e-09  1.97568669e-09 -1.97568669e-09]
 [ 1.97568669e-09 -1.97568669e-09 -1.97568669e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [8.69101962e-10 8.69101962e-10 8.69101962e-10 0.00000000e+00
 0.00000000e+00 1.35305364e-32]
energy per atom =  -19.032952347426775
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0