element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP12_194_cg_f
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2773', '1.629337', '0.43768244']
model name:
Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.5        0.         0.        ]
 [0.33333333 0.66666667 0.43768244]]
spacegroup =  194
cell =  [[5.2773, 0, 0], [-2.63865, 4.5702758633916, 0], [0, 0, 8.5985]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 20:23:56     -164.477106        0.1661
BFGS:    1 20:23:56     -164.477966        0.1500
BFGS:    2 20:23:56     -164.482829        0.1050
BFGS:    3 20:23:56     -164.483506        0.0669
BFGS:    4 20:23:56     -164.483713        0.0099
BFGS:    5 20:23:56     -164.483720        0.0101
BFGS:    6 20:23:56     -164.483726        0.0118
BFGS:    7 20:23:56     -164.483753        0.0138
BFGS:    8 20:23:56     -164.483781        0.0144
BFGS:    9 20:23:56     -164.483797        0.0130
BFGS:   10 20:23:56     -164.483788        0.0057
BFGS:   11 20:23:56     -164.483788        0.0009
BFGS:   12 20:23:56     -164.483788        0.0000
BFGS:   13 20:23:56     -164.483791        0.0000
BFGS:   14 20:23:56     -164.483791        0.0000
BFGS:   15 20:23:56     -164.483785        0.0000
BFGS:   16 20:23:56     -164.483744        0.0001
BFGS:   17 20:23:56     -164.483785        0.0001
BFGS:   18 20:23:56     -164.483787        0.0001
BFGS:   19 20:23:56     -164.483792        0.0000
BFGS:   20 20:23:56     -164.483794        0.0000
BFGS:   21 20:23:56     -164.483794        0.0000
BFGS:   22 20:23:56     -164.483794        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.847011688900114e-09 eV/Angstrom
Maximum stress component: 7.388065388260398e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [4.99999997e-01 3.33333335e-09 0.00000000e+00]
 [9.99999997e-01 5.00000003e-01 9.07309666e-55]
 [4.99999997e-01 5.00000003e-01 9.07309666e-55]
 [4.99999997e-01 3.33333335e-09 5.00000000e-01]
 [9.99999997e-01 5.00000003e-01 5.00000000e-01]
 [4.99999997e-01 5.00000003e-01 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 4.37599017e-01]
 [6.66666663e-01 3.33333337e-01 9.37599017e-01]
 [6.66666663e-01 3.33333337e-01 5.62400983e-01]
 [3.33333330e-01 6.66666670e-01 6.24009835e-02]]
cellpar =  Cell([[5.287969678134984, -4.4545227801238e-18, 5.102440532984981e-39], [-2.643984839067492, 4.579516075706721, 3.09732369759474e-38], [1.133961638952583e-37, -1.7960610643911157e-36, 8.630311849103778]])
forces =  [[ 3.19856501e-23 -1.49945107e-23  2.83671484e-31]
 [-3.19856501e-23  1.49945107e-23  7.89042459e-62]
 [ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.69372028e-22 -1.43315955e-22 -2.84701169e-09]
 [-1.55463017e-22  1.07644803e-22 -2.84701169e-09]
 [-2.69372028e-22  1.43315955e-22  2.84701169e-09]
 [ 1.55463017e-22 -1.07644803e-22  2.84701169e-09]]
stress =  [-2.08653766e-11 -2.08653766e-11  7.38806539e-11 -3.32661933e-33
 -2.92525193e-47 -1.95667082e-24]
energy per atom =  -13.706982810282744
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0