element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP18_194_gh_h
Parameter names:
['a', 'c/a', 'x2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.216', '0.57073568', '0.76263657', '0.55845469']
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 =  [[0.5        0.         0.        ]
 [0.23736343 0.47472686 0.25      ]
 [0.44154531 0.88309062 0.25      ]]
spacegroup =  194
cell =  [[9.216, 0, 0], [-4.608, 7.9812901212774, 0], [0, 0, 5.2599]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:15     -159.458322         1.908944
BFGS:    1 16:28:15     -159.711124         0.884141
BFGS:    2 16:28:15     -159.775735         0.162676
BFGS:    3 16:28:15     -159.777129         0.175681
BFGS:    4 16:28:15     -159.779644         0.178674
BFGS:    5 16:28:15     -159.785085         0.160965
BFGS:    6 16:28:15     -159.792746         0.176939
BFGS:    7 16:28:15     -159.799137         0.131577
BFGS:    8 16:28:15     -159.801596         0.165768
BFGS:    9 16:28:15     -159.802461         0.172843
BFGS:   10 16:28:15     -159.803389         0.168879
BFGS:   11 16:28:15     -159.805489         0.147284
BFGS:   12 16:28:15     -159.808763         0.135124
BFGS:   13 16:28:15     -159.811730         0.103979
BFGS:   14 16:28:15     -159.813033         0.037386
BFGS:   15 16:28:15     -159.813238         0.002889
BFGS:   16 16:28:15     -159.813241         0.000321
BFGS:   17 16:28:15     -159.813241         0.000029
BFGS:   18 16:28:15     -159.813241         0.000003
BFGS:   19 16:28:15     -159.813241         0.000000
BFGS:   20 16:28:15     -159.813241         0.000000
BFGS:   21 16:28:15     -159.813241         0.000000
Minimization converged after 21 steps.
Maximum force component: 8.922318893817278e-09 eV/Angstrom
Maximum stress component: 8.443230397776117e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[5.00000000e-01 3.66353007e-35 0.00000000e+00]
 [1.46315429e-16 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.65442900e-35 5.00000000e-01]
 [1.46315429e-16 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.39286925e-01 4.78573851e-01 2.50000000e-01]
 [5.21426149e-01 7.60713075e-01 2.50000000e-01]
 [2.39286925e-01 7.60713075e-01 2.50000000e-01]
 [7.60713075e-01 5.21426149e-01 7.50000000e-01]
 [4.78573851e-01 2.39286925e-01 7.50000000e-01]
 [7.60713075e-01 2.39286925e-01 7.50000000e-01]
 [4.42700766e-01 8.85401532e-01 2.50000000e-01]
 [1.14598468e-01 5.57299234e-01 2.50000000e-01]
 [4.42700766e-01 5.57299234e-01 2.50000000e-01]
 [5.57299234e-01 1.14598468e-01 7.50000000e-01]
 [8.85401532e-01 4.42700766e-01 7.50000000e-01]
 [5.57299234e-01 4.42700766e-01 7.50000000e-01]]
cellpar =  Cell([[9.105448705872943, -1.1062715187973887e-18, -1.3127082969471567e-36], [-4.552724352936472, 7.88554989214211, -1.5658600397339875e-36], [-5.10743299826021e-38, 1.4353392310116187e-36, 5.308095926025399]])
forces =  [[ 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]
 [ 4.23699265e-26  2.50245809e-09  4.90705003e-32]
 [-2.16719228e-09 -1.25122904e-09 -4.36182225e-32]
 [ 2.16719228e-09 -1.25122904e-09  5.45227781e-33]
 [ 1.93000406e-25 -2.50245809e-09 -2.18091112e-32]
 [ 2.16719228e-09  1.25122904e-09  4.36182225e-32]
 [-2.16719228e-09  1.25122904e-09  2.18091112e-32]
 [ 5.43398854e-26 -8.92231889e-09  2.51438440e-45]
 [ 7.72695482e-09  4.46115945e-09 -2.37116670e-45]
 [-7.72695482e-09  4.46115945e-09 -1.43217696e-46]
 [ 8.87141444e-25  8.92231889e-09 -2.51438440e-45]
 [-7.72695482e-09 -4.46115945e-09  2.37116670e-45]
 [ 7.72695482e-09 -4.46115945e-09  1.43217696e-46]]
stress =  [ 8.44323040e-11  8.44323040e-11 -6.64625698e-11 -1.57053797e-33
 -2.72025156e-33  5.51525033e-28]
energy per atom =  -8.878513406430372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0