element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP9_180_i_d
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1077', '1.0935059', '0.20837965']
model name:
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.20837965 0.4167593  0.        ]
 [0.5        0.         0.5       ]]
spacegroup =  180
cell =  [[5.1077, 0, 0], [-2.55385, 4.4233979549098, 0], [0, 0, 5.5853]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:36:37      -13.936238         0.232219
BFGS:    1 14:36:37      -13.939407         0.227824
BFGS:    2 14:36:37      -13.960956         0.157455
BFGS:    3 14:36:37      -13.962506         0.153062
BFGS:    4 14:36:37      -13.978366         0.108580
BFGS:    5 14:36:37      -13.987559         0.059227
BFGS:    6 14:36:37      -13.989310         0.020681
BFGS:    7 14:36:37      -13.989336         0.023899
BFGS:    8 14:36:37      -13.989371         0.026080
BFGS:    9 14:36:37      -13.989488         0.029816
BFGS:   10 14:36:37      -13.989709         0.031660
BFGS:   11 14:36:37      -13.990082         0.027503
BFGS:   12 14:36:37      -13.990425         0.015125
BFGS:   13 14:36:37      -13.990564         0.004330
BFGS:   14 14:36:37      -13.990582         0.000749
BFGS:   15 14:36:37      -13.990583         0.000079
BFGS:   16 14:36:37      -13.990583         0.000006
BFGS:   17 14:36:37      -13.990583         0.000000
BFGS:   18 14:36:37      -13.990583         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.180271899074688e-10 eV/Angstrom
Maximum stress component: 1.024472486231852e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
basis =  [[2.08713547e-01 4.17427094e-01 0.00000000e+00]
 [5.82572906e-01 7.91286453e-01 6.66666667e-01]
 [2.08713547e-01 7.91286453e-01 3.33333333e-01]
 [7.91286453e-01 5.82572906e-01 0.00000000e+00]
 [4.17427094e-01 2.08713547e-01 6.66666667e-01]
 [7.91286453e-01 2.08713547e-01 3.33333333e-01]
 [5.00000000e-01 5.01977455e-17 5.00000000e-01]
 [8.79773629e-17 5.00000000e-01 1.66666667e-01]
 [5.00000000e-01 5.00000000e-01 8.33333333e-01]]
cellpar =  Cell([[5.047766777903278, 1.308840205985845e-17, 3.795226089677163e-39], [-2.523883388951639, 4.3714942620433614, 6.465268603450172e-39], [1.7348322925691162e-38, -3.6491121029492208e-37, 5.43273642183533]])
forces =  [[ 3.52527037e-26  2.18027190e-10  4.17096644e-49]
 [-1.88817085e-10 -1.09013595e-10 -3.50512790e-49]
 [ 1.88817085e-10 -1.09013595e-10 -6.65838534e-50]
 [-2.63227542e-27 -2.18027190e-10  8.92848619e-32]
 [ 1.88817085e-10  1.09013595e-10  3.50512790e-49]
 [-1.88817085e-10  1.09013595e-10 -8.92848619e-32]
 [-8.29580390e-32  1.43687538e-31 -5.80351602e-31]
 [-9.54341503e-32  2.16092587e-32 -3.57139448e-31]
 [-2.65724969e-31  1.72874070e-31  1.30927908e-70]]
stress =  [-1.02447249e-10 -1.02447249e-10 -8.08121190e-12 -5.78442605e-48
  7.07824075e-49 -6.11177649e-27]
energy per atom =  -1.5545092286178477
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0