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_BroughtonMeliVashishta_1997_SiO__SM_422553794879_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 17:11:22      -27.104811         0.947597
BFGS:    1 17:11:22      -27.196271         0.764295
BFGS:    2 17:11:22      -27.333972         0.220788
BFGS:    3 17:11:22      -27.338856         0.194448
BFGS:    4 17:11:22      -27.352469         0.051393
BFGS:    5 17:11:22      -27.352601         0.053871
BFGS:    6 17:11:22      -27.352834         0.055516
BFGS:    7 17:11:22      -27.353571         0.056337
BFGS:    8 17:11:23      -27.354907         0.051698
BFGS:    9 17:11:23      -27.356917         0.052243
BFGS:   10 17:11:23      -27.358469         0.034831
BFGS:   11 17:11:23      -27.358961         0.028723
BFGS:   12 17:11:23      -27.359019         0.026627
BFGS:   13 17:11:23      -27.359033         0.025647
BFGS:   14 17:11:23      -27.359074         0.023524
BFGS:   15 17:11:23      -27.359165         0.019900
BFGS:   16 17:11:24      -27.359372         0.014204
BFGS:   17 17:11:24      -27.359688         0.016827
BFGS:   18 17:11:24      -27.359960         0.012252
BFGS:   19 17:11:24      -27.360126         0.002713
BFGS:   20 17:11:24      -27.360136         0.000580
BFGS:   21 17:11:24      -27.360136         0.000025
BFGS:   22 17:11:24      -27.360136         0.000002
BFGS:   23 17:11:24      -27.360136         0.000000
BFGS:   24 17:11:24      -27.360136         0.000000
Minimization converged after 24 steps.
Maximum force component: 8.715684561466147e-10 eV/Angstrom
Maximum stress component: 1.5448527844868327e-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 9.74221970e-35 0.00000000e+00]
 [1.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 9.74404427e-35 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.41515563e-01 4.83031127e-01 2.50000000e-01]
 [5.16968873e-01 7.58484437e-01 2.50000000e-01]
 [2.41515563e-01 7.58484437e-01 2.50000000e-01]
 [7.58484437e-01 5.16968873e-01 7.50000000e-01]
 [4.83031127e-01 2.41515563e-01 7.50000000e-01]
 [7.58484437e-01 2.41515563e-01 7.50000000e-01]
 [4.42625016e-01 8.85250031e-01 2.50000000e-01]
 [1.14749969e-01 5.57374984e-01 2.50000000e-01]
 [4.42625016e-01 5.57374984e-01 2.50000000e-01]
 [5.57374984e-01 1.14749969e-01 7.50000000e-01]
 [8.85250031e-01 4.42625016e-01 7.50000000e-01]
 [5.57374984e-01 4.42625016e-01 7.50000000e-01]]
cellpar =  Cell([[9.130865088130085, 5.175159165831794e-18, 7.080117266684055e-38], [-4.565432544065042, 7.90756112484909, -1.343001849017108e-38], [-2.389052132161941e-38, -2.8855803713905836e-37, 5.274330742809563]])
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]
 [-4.70769520e-26  8.71568456e-10  2.42158784e-48]
 [-7.54800424e-10 -4.35784228e-10 -7.06355318e-48]
 [ 7.54800424e-10 -4.35784228e-10  3.30134724e-33]
 [ 4.70769520e-26 -8.71568456e-10  1.35439887e-33]
 [ 7.54800424e-10  4.35784228e-10 -1.05812412e-33]
 [-7.54800424e-10  4.35784228e-10  2.70879774e-33]
 [ 1.05958718e-25 -4.32649868e-10 -1.89615842e-32]
 [ 3.74685777e-10  2.16324934e-10  2.16703819e-32]
 [-3.74685777e-10  2.16324934e-10 -2.16703819e-32]
 [-1.05958718e-25  4.32649868e-10  2.16703819e-32]
 [-3.74685777e-10 -2.16324934e-10 -2.16703819e-32]
 [ 3.74685777e-10 -2.16324934e-10  6.50111457e-32]]
stress =  [ 1.54485278e-11  1.54485278e-11 -1.53149511e-11  3.94048137e-34
  2.72223537e-49 -1.89548008e-27]
energy per atom =  -1.520007555331176
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0