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 09:20:26      -13.936238         0.232219
BFGS:    1 09:20:26      -13.939407         0.227824
BFGS:    2 09:20:26      -13.960956         0.157455
BFGS:    3 09:20:26      -13.962506         0.153062
BFGS:    4 09:20:26      -13.978366         0.108580
BFGS:    5 09:20:26      -13.987559         0.059227
BFGS:    6 09:20:26      -13.989310         0.020681
BFGS:    7 09:20:26      -13.989336         0.023899
BFGS:    8 09:20:26      -13.989371         0.026080
BFGS:    9 09:20:26      -13.989488         0.029816
BFGS:   10 09:20:26      -13.989709         0.031660
BFGS:   11 09:20:26      -13.990082         0.027503
BFGS:   12 09:20:26      -13.990425         0.015125
BFGS:   13 09:20:26      -13.990564         0.004330
BFGS:   14 09:20:26      -13.990582         0.000749
BFGS:   15 09:20:27      -13.990583         0.000079
BFGS:   16 09:20:27      -13.990583         0.000006
BFGS:   17 09:20:27      -13.990583         0.000000
BFGS:   18 09:20:27      -13.990583         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.1802061298199455e-10 eV/Angstrom
Maximum stress component: 1.0244658049301783e-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]
 [1.75954726e-16 5.00000000e-01 1.66666667e-01]
 [5.00000000e-01 5.00000000e-01 8.33333333e-01]]
cellpar =  Cell([[5.047766777903286, 1.1786496280428222e-17, -2.7688022293737592e-39], [-2.523883388951643, 4.371494262043365, 4.81215665789974e-40], [1.1273709637842017e-37, 7.052618268523416e-38, 5.432736421835329]])
forces =  [[-4.68686293e-27  2.18020613e-10 -8.92848619e-32]
 [-1.88811389e-10 -1.09010306e-10 -1.95310635e-32]
 [ 1.88811389e-10 -1.09010306e-10  4.46424310e-32]
 [ 4.68686293e-27 -2.18020613e-10  4.50447910e-50]
 [ 1.88811389e-10  1.09010306e-10 -1.26089264e-49]
 [-1.88811389e-10  1.09010306e-10  4.46424310e-32]
 [ 4.14790195e-31 -1.43687538e-31 -1.97833829e-70]
 [ 2.48874117e-31 -1.43687538e-31  2.23212155e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.02446580e-10 -1.02446580e-10 -8.08087679e-12 -1.38401451e-33
  2.23168189e-48  4.59984053e-26]
energy per atom =  -1.554509228617848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0