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 17:23:45     -227.737908         1.110309
BFGS:    1 17:23:45     -227.903974         0.959203
BFGS:    2 17:23:45     -228.222261         0.719828
BFGS:    3 17:23:45     -228.292158         0.527592
BFGS:    4 17:23:45     -228.323315         0.410519
BFGS:    5 17:23:45     -228.357113         0.280202
BFGS:    6 17:23:45     -228.382654         0.194314
BFGS:    7 17:23:45     -228.394260         0.048864
BFGS:    8 17:23:45     -228.395222         0.009910
BFGS:    9 17:23:45     -228.395419         0.000679
BFGS:   10 17:23:45     -228.395422         0.000010
BFGS:   11 17:23:45     -228.395431         0.000000
BFGS:   12 17:23:45     -228.395433         0.000000
BFGS:   13 17:23:45     -228.395428         0.000000
BFGS:   14 17:23:45     -228.395428         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.975686254714638e-09 eV/Angstrom
Maximum stress component: 8.691015151350343e-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([[4.408411043697667, -3.9182711909017764e-37, 0.0], [8.986082450015854e-37, 4.408411043697667, 0.0], [0.0, 0.0, 4.408411043697667]])
forces =  [[-1.97568625e-09 -1.97568625e-09 -1.97568625e-09]
 [ 1.97568625e-09  1.97568625e-09 -1.97568625e-09]
 [ 1.97568625e-09 -1.97568625e-09  1.97568625e-09]
 [-1.97568625e-09  1.97568625e-09  1.97568625e-09]
 [ 1.97568625e-09  1.97568625e-09  1.97568625e-09]
 [-1.97568625e-09 -1.97568625e-09  1.97568625e-09]
 [-1.97568625e-09  1.97568625e-09 -1.97568625e-09]
 [ 1.97568625e-09 -1.97568625e-09 -1.97568625e-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 =  [8.69101515e-10 8.69101515e-10 8.69101515e-10 0.00000000e+00
 0.00000000e+00 6.35860569e-63]
energy per atom =  -19.03295234742678
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0