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_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_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 15:05:23     -107.128048        0.3405
BFGS:    1 15:05:23     -107.130519        0.3316
BFGS:    2 15:05:23     -107.147480        0.2067
BFGS:    3 15:05:23     -107.151842        0.0862
BFGS:    4 15:05:23     -107.152174        0.0828
BFGS:    5 15:05:23     -107.153324        0.0957
BFGS:    6 15:05:23     -107.154393        0.1409
BFGS:    7 15:05:23     -107.156398        0.1525
BFGS:    8 15:05:23     -107.157335        0.0833
BFGS:    9 15:05:23     -107.157593        0.0133
BFGS:   10 15:05:23     -107.157605        0.0008
BFGS:   11 15:05:23     -107.157606        0.0003
BFGS:   12 15:05:23     -107.157606        0.0000
BFGS:   13 15:05:23     -107.157606        0.0000
Minimization converged after 13 steps.
Maximum force component: 7.945449114615807e-09 eV/Angstrom
Maximum stress component: 1.813831969352862e-10 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 6.15187817e-55]
 [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 4.39015871e-01]
 [6.66666663e-01 3.33333337e-01 9.39015871e-01]
 [6.66666663e-01 3.33333337e-01 5.60984129e-01]
 [3.33333330e-01 6.66666670e-01 6.09841290e-02]]
cellpar =  Cell([[5.276097307769583, -2.9779798372201943e-18, -7.062967676649268e-38], [-2.6380486538847916, 4.569234301367143, -1.559645325611994e-38], [1.912658096856523e-37, -7.96669117807063e-37, 8.485609484202733]])
forces =  [[ 2.16776401e-32 -1.22354785e-50  2.78915232e-31]
 [-4.33552802e-32  3.75467740e-32  1.62031908e-70]
 [ 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]
 [ 1.00801026e-30 -5.81974998e-31 -7.94544911e-09]
 [-1.05272040e-30  6.78188606e-31 -7.94544911e-09]
 [-9.53816164e-31  4.50561288e-31  7.94544911e-09]
 [ 1.08388200e-30 -3.75467740e-31  7.94544911e-09]]
stress =  [ 1.61297294e-10  1.61297294e-10  1.81383197e-10 -2.54322027e-33
 -4.40498673e-33 -8.82995080e-27]
energy per atom =  -8.929800465818582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0