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 17:12:37     -214.709345         0.140148
BFGS:    1 17:12:38     -214.710173         0.135330
BFGS:    2 17:12:38     -214.721346         0.012994
BFGS:    3 17:12:39     -214.721448         0.000232
BFGS:    4 17:12:39     -214.721448         0.000000
BFGS:    5 17:12:39     -214.721448         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.6968896085244936e-30 eV/Angstrom
Maximum stress component: 6.661379026746065e-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 7.70507059e-34 1.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]
 [5.00000000e-01 3.88213240e-34 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([[7.4415156956267925, -5.52126316102112e-34, 7.915983049065559e-34], [2.0702643390720605e-33, 7.4415156956267925, -4.596252551051741e-19], [-4.237160986749434e-34, -4.596252551051749e-19, 7.4415156956267925]])
forces =  [[ 1.22298350e-31 -3.05745875e-31 -3.05745875e-31]
 [ 3.66895050e-31  6.11491751e-32  1.22298350e-31]
 [ 4.58618813e-31 -2.75171288e-31 -5.35055282e-31]
 [ 6.11491751e-31  4.89193401e-31 -1.22298350e-31]
 [ 3.97469638e-31 -2.44596700e-31  6.11491751e-32]
 [ 6.72640926e-31 -1.22298350e-31  4.28044226e-31]
 [-1.68160231e-31 -2.75171288e-31 -1.83447525e-31]
 [-2.44596700e-31 -3.82182344e-31 -3.05745875e-32]
 [ 1.22298350e-31  9.17237626e-31  1.83447525e-31]
 [ 2.44596700e-31 -6.11491751e-32  7.94939276e-31]
 [-7.94939276e-31 -7.33790101e-31  1.52872938e-31]
 [ 5.50342576e-31 -2.44596700e-31 -4.28044226e-31]
 [-6.11491751e-32 -3.05745875e-31 -1.22298350e-31]
 [ 4.28044226e-31 -1.88843956e-50  3.05745875e-31]
 [ 2.44596700e-31  1.22298350e-31  1.83447525e-31]
 [-3.05745875e-32 -9.17237626e-32 -2.59883994e-31]
 [ 4.89193401e-31 -3.05745875e-31 -9.17237626e-32]
 [-6.72640926e-31 -3.59251404e-31  1.37585644e-31]
 [ 1.45229291e-31 -4.73906107e-31  4.28044226e-31]
 [-6.42066338e-31 -4.28044226e-31 -6.87928220e-31]
 [ 1.83447525e-31 -6.11491751e-32 -9.17237626e-32]
 [-1.11597245e-30 -1.83447525e-31  3.05745875e-31]
 [ 7.64364689e-31 -1.69688961e-30 -2.25487583e-31]
 [-1.07011056e-30  1.22298350e-30 -6.72640926e-31]]
stress =  [ 6.66137903e-13  6.66137903e-13  6.66137903e-13  4.90833022e-29
 -1.54563896e-63  5.03577595e-62]
energy per atom =  -8.946726993592783
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0