element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF24_227_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4593']
model name:
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.    0.    0.   ]]
spacegroup =  227
cell =  [[7.4593, 0, 0], [0, 7.4593, 0], [0, 0, 7.4593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:46:27     -214.709345         0.140148
BFGS:    1 16:46:27     -214.710173         0.135330
BFGS:    2 16:46:28     -214.721346         0.012994
BFGS:    3 16:46:29     -214.721448         0.000232
BFGS:    4 16:46:30     -214.721448         0.000000
BFGS:    5 16:46:31     -214.721448         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.306008680327511e-31 eV/Angstrom
Maximum stress component: 6.666038477268436e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [1.00000000e+00 1.09136030e-33 1.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [5.00000000e-01 1.15555797e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[7.441515695626793, 2.152521981575424e-36, 2.4451573676217665e-41], [3.670382627767311e-39, 7.441515695626793, 2.5283093253702552e-26], [1.7968803887560805e-37, 2.528309325370281e-26, 7.441515695626793]])
forces =  [[ 3.05745875e-31  6.11491751e-32  3.05745875e-31]
 [ 6.11491751e-31  1.22298350e-31  1.22298350e-31]
 [-3.23421809e-31  2.29309407e-31 -1.33763820e-31]
 [-5.86096192e-69  9.17237626e-32 -2.44596700e-31]
 [ 4.43331519e-31  7.64364689e-33  9.17237626e-32]
 [ 5.19767988e-31 -1.14654703e-31 -1.52872938e-32]
 [-1.22298350e-31  2.07758790e-57  6.11491751e-31]
 [ 5.44609841e-32 -6.11491751e-32  8.45578437e-32]
 [ 6.11491751e-32  6.11491751e-32  6.11491751e-32]
 [ 5.19767988e-31  9.17237626e-32 -4.58618813e-32]
 [ 4.89193401e-31  3.66895050e-31 -3.66895050e-31]
 [-2.44596700e-31  2.44596700e-31 -1.83447525e-31]
 [ 3.66895050e-31  1.03879395e-57  3.05745875e-31]
 [-4.58618813e-31 -1.83447525e-31  1.22298350e-31]
 [ 1.22298350e-31  6.11491751e-32  1.52872938e-31]
 [ 6.11491751e-32 -6.11491751e-32  6.11491751e-32]
 [-1.52872938e-31 -9.17237626e-32  1.52872938e-31]
 [-3.05745875e-31 -5.19396975e-58 -1.52872938e-31]
 [ 3.66895050e-31 -2.44596700e-31  2.44596700e-31]
 [ 3.05745875e-31 -1.22298350e-31  1.22298350e-31]
 [-4.03202373e-31  3.72627786e-32 -1.52872938e-32]
 [-7.64364689e-32 -2.70394009e-31 -4.43331519e-31]
 [ 6.30600868e-31 -2.10200289e-31 -2.86636758e-32]
 [-2.44596700e-31 -2.17843936e-31 -4.89193401e-31]]
stress =  [ 6.66603848e-13  6.66603848e-13  6.66603848e-13 -1.65498608e-29
  3.70976505e-34  8.36706153e-52]
energy per atom =  -8.94672699359277
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0