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 17:31:03     -135.944892         2.159710
BFGS:    1 17:31:03     -136.272363         0.972967
BFGS:    2 17:31:03     -136.347270         0.123426
BFGS:    3 17:31:03     -136.348764         0.122746
BFGS:    4 17:31:04     -136.349863         0.116422
BFGS:    5 17:31:04     -136.351905         0.134503
BFGS:    6 17:31:04     -136.356334         0.232158
BFGS:    7 17:31:04     -136.362305         0.258671
BFGS:    8 17:31:04     -136.366858         0.159167
BFGS:    9 17:31:04     -136.368232         0.044343
BFGS:   10 17:31:04     -136.368417         0.049524
BFGS:   11 17:31:04     -136.368491         0.048562
BFGS:   12 17:31:04     -136.368648         0.040212
BFGS:   13 17:31:04     -136.368821         0.027816
BFGS:   14 17:31:04     -136.368931         0.014710
BFGS:   15 17:31:04     -136.368954         0.003117
BFGS:   16 17:31:04     -136.368956         0.000314
BFGS:   17 17:31:04     -136.368956         0.000030
BFGS:   18 17:31:04     -136.368956         0.000001
BFGS:   19 17:31:04     -136.368956         0.000000
BFGS:   20 17:31:04     -136.368956         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.02070384157739e-09 eV/Angstrom
Maximum stress component: 6.694312664031959e-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 4.86250021e-35 0.00000000e+00]
 [1.00000000e+00 5.00000000e-01 1.57710785e-53]
 [5.00000000e-01 5.00000000e-01 3.15421570e-53]
 [5.00000000e-01 4.87573777e-35 5.00000000e-01]
 [1.00000000e+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([[9.147032379861148, 5.184855530855902e-18, -3.6650573097707166e-37], [-4.573516189930574, 7.921562410198585, -1.3810449135311945e-36], [-9.887410788496888e-37, -2.097243579896331e-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]
 [-1.95147500e-26  1.60937035e-10 -3.17807817e-47]
 [-1.39375560e-10 -8.04685173e-11  2.71993530e-33]
 [ 1.39375560e-10 -8.04685173e-11 -1.63196118e-32]
 [ 1.95147500e-26 -1.60937035e-10  3.26392236e-32]
 [ 1.39375560e-10  8.04685173e-11  2.17594824e-32]
 [-1.39375560e-10  8.04685173e-11 -1.08797412e-32]
 [ 2.84067846e-25  1.02070384e-09 -2.01561847e-46]
 [-8.83955457e-10 -5.10351921e-10 -2.71993530e-32]
 [ 8.83955457e-10 -5.10351921e-10 -1.08797412e-31]
 [ 2.61248842e-26 -1.02070384e-09  2.01561847e-46]
 [ 8.83955457e-10  5.10351921e-10 -1.36199486e-46]
 [-8.83955457e-10  5.10351921e-10  1.74075859e-31]]
stress =  [ 2.66495439e-12  2.66495439e-12 -6.69431266e-12  2.20354294e-34
 -2.96850426e-34  2.11168186e-28]
energy per atom =  -7.576053107142578
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0