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 16:29:02     -107.128048         0.340516
BFGS:    1 16:29:02     -107.130519         0.331588
BFGS:    2 16:29:02     -107.147480         0.206694
BFGS:    3 16:29:02     -107.151842         0.086162
BFGS:    4 16:29:02     -107.152174         0.082762
BFGS:    5 16:29:02     -107.153324         0.095738
BFGS:    6 16:29:02     -107.154393         0.140908
BFGS:    7 16:29:02     -107.156398         0.152547
BFGS:    8 16:29:02     -107.157335         0.083266
BFGS:    9 16:29:02     -107.157593         0.013304
BFGS:   10 16:29:02     -107.157605         0.000831
BFGS:   11 16:29:02     -107.157606         0.000298
BFGS:   12 16:29:02     -107.157606         0.000001
BFGS:   13 16:29:02     -107.157606         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.945433408429459e-09 eV/Angstrom
Maximum stress component: 1.8138289518636756e-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, -3.0284725920926194e-18, -6.942944106939338e-38], [-2.6380486538847916, 4.569234301367143, -5.367372902634815e-37], [-1.3382364476851452e-36, 2.1187470917720216e-36, 8.485609484202733]])
forces =  [[-7.58717403e-32  5.63201610e-32 -4.18372849e-31]
 [-9.75493804e-32  1.87733870e-32 -1.06422072e-69]
 [ 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]
 [ 3.08906371e-31 -2.90987499e-31 -7.94543341e-09]
 [-3.91552374e-31  3.98934474e-32 -7.94543341e-09]
 [-3.46842242e-31  3.00374192e-31  7.94543341e-09]
 [ 3.84778112e-31 -6.57068546e-32  7.94543341e-09]]
stress =  [ 1.61297443e-10  1.61297443e-10  1.81382895e-10  6.78192073e-33
  5.87331564e-33 -4.18995539e-26]
energy per atom =  -8.92980046581858
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0