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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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 15:07:09     -135.944892        2.1597
BFGS:    1 15:07:09     -136.272363        0.9730
BFGS:    2 15:07:09     -136.347270        0.1234
BFGS:    3 15:07:09     -136.348764        0.1227
BFGS:    4 15:07:09     -136.349863        0.1164
BFGS:    5 15:07:09     -136.351905        0.1345
BFGS:    6 15:07:09     -136.356334        0.2322
BFGS:    7 15:07:09     -136.362305        0.2587
BFGS:    8 15:07:09     -136.366858        0.1592
BFGS:    9 15:07:09     -136.368232        0.0443
BFGS:   10 15:07:09     -136.368417        0.0495
BFGS:   11 15:07:09     -136.368491        0.0486
BFGS:   12 15:07:09     -136.368648        0.0402
BFGS:   13 15:07:09     -136.368821        0.0278
BFGS:   14 15:07:09     -136.368931        0.0147
BFGS:   15 15:07:09     -136.368954        0.0031
BFGS:   16 15:07:09     -136.368956        0.0003
BFGS:   17 15:07:09     -136.368956        0.0000
BFGS:   18 15:07:09     -136.368956        0.0000
BFGS:   19 15:07:09     -136.368956        0.0000
BFGS:   20 15:07:09     -136.368956        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.02066532709071e-09 eV/Angstrom
Maximum stress component: 6.695101316506887e-12 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 9.72500042e-35 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.91415445e-54]
 [5.00000000e-01 5.00000000e-01 1.97138482e-54]
 [5.00000000e-01 9.73634140e-35 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.40144900e-01 4.80289801e-01 2.50000000e-01]
 [5.19710199e-01 7.59855100e-01 2.50000000e-01]
 [2.40144900e-01 7.59855100e-01 2.50000000e-01]
 [7.59855100e-01 5.19710199e-01 7.50000000e-01]
 [4.80289801e-01 2.40144900e-01 7.50000000e-01]
 [7.59855100e-01 2.40144900e-01 7.50000000e-01]
 [4.42604607e-01 8.85209214e-01 2.50000000e-01]
 [1.14790786e-01 5.57395393e-01 2.50000000e-01]
 [4.42604607e-01 5.57395393e-01 2.50000000e-01]
 [5.57395393e-01 1.14790786e-01 7.50000000e-01]
 [8.85209214e-01 4.42604607e-01 7.50000000e-01]
 [5.57395393e-01 4.42604607e-01 7.50000000e-01]]
cellpar =  Cell([[9.147032379861146, -1.2872424599256353e-17, 1.8223726872498544e-39], [-4.573516189930573, 7.9215624101985815, -1.1148277976725304e-37], [-8.229913251300157e-37, -1.796764919718004e-36, 5.296016823856373]])
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]
 [ 2.37091966e-27  1.60914367e-10  2.85593207e-32]
 [-1.39355930e-10 -8.04571834e-11 -6.86783664e-32]
 [ 1.39355930e-10 -8.04571834e-11 -3.26392236e-32]
 [-1.71487475e-26 -1.60914367e-10 -2.17594824e-32]
 [ 1.39355930e-10  8.04571834e-11  2.17594824e-32]
 [-1.39355930e-10  8.04571834e-11  4.35189649e-32]
 [-9.95895156e-26  1.02066533e-09 -2.55706524e-47]
 [-8.83922102e-10 -5.10332664e-10  1.08797412e-31]
 [ 8.83922102e-10 -5.10332664e-10 -6.09265508e-31]
 [ 2.17812138e-25 -1.02066533e-09  1.42467591e-47]
 [ 8.83922102e-10  5.10332664e-10 -6.94727485e-48]
 [-8.83922102e-10  5.10332664e-10  3.48151719e-31]]
stress =  [ 2.66432132e-12  2.66432132e-12 -6.69510132e-12 -7.83481936e-34
  1.35703052e-33 -9.59546338e-29]
energy per atom =  -7.5760531071425765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0