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 17:29:38     -164.477106         0.166130
BFGS:    1 17:29:38     -164.477966         0.150037
BFGS:    2 17:29:39     -164.482829         0.104952
BFGS:    3 17:29:39     -164.483506         0.066855
BFGS:    4 17:29:39     -164.483713         0.009939
BFGS:    5 17:29:39     -164.483720         0.010145
BFGS:    6 17:29:39     -164.483726         0.011829
BFGS:    7 17:29:40     -164.483753         0.013772
BFGS:    8 17:29:40     -164.483781         0.014372
BFGS:    9 17:29:40     -164.483797         0.012991
BFGS:   10 17:29:40     -164.483788         0.005653
BFGS:   11 17:29:40     -164.483788         0.000880
BFGS:   12 17:29:40     -164.483788         0.000039
BFGS:   13 17:29:40     -164.483791         0.000006
BFGS:   14 17:29:40     -164.483791         0.000000
BFGS:   15 17:29:40     -164.483785         0.000000
BFGS:   16 17:29:40     -164.483744         0.000112
BFGS:   17 17:29:40     -164.483785         0.000109
BFGS:   18 17:29:41     -164.483787         0.000055
BFGS:   19 17:29:41     -164.483792         0.000000
BFGS:   20 17:29:41     -164.483794         0.000000
BFGS:   21 17:29:41     -164.483794         0.000000
BFGS:   22 17:29:41     -164.483794         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.8469419668941684e-09 eV/Angstrom
Maximum stress component: 7.387886131083351e-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 0.00000000e+00]
 [4.99999997e-01 5.00000003e-01 0.00000000e+00]
 [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([[5.287969678134986, -5.5033056455991146e-18, -1.6430619518057976e-37], [-2.643984839067493, 4.579516075706717, -1.0347038957095787e-37], [3.007328101143982e-37, 3.873365329568001e-37, 8.630311849103778]])
forces =  [[ 6.82542790e-23 -7.78136187e-23  8.51014452e-31]
 [-6.82542790e-23  7.78136187e-23 -1.03327642e-60]
 [ 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]
 [ 5.03022190e-23 -6.31347819e-24 -2.84694197e-09]
 [-2.27818021e-23  3.94592387e-23 -2.84694197e-09]
 [-5.03022190e-23  6.31347819e-24  2.84694197e-09]
 [ 2.27818021e-23 -3.94592387e-23  2.84694197e-09]]
stress =  [-2.08650596e-11 -2.08650596e-11  7.38788613e-11 -2.07913708e-33
  2.16070263e-33  2.10146663e-25]
energy per atom =  -13.70698281028274
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0