element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP12_194_cg_f
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2773', '1.629337', '0.43768244']
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 =  [[0.33333333 0.66666667 0.25      ]
 [0.5        0.         0.        ]
 [0.33333333 0.66666667 0.43768244]]
spacegroup =  194
cell =  [[5.2773, 0, 0], [-2.63865, 4.5702758633916, 0], [0, 0, 8.5985]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:05:23      -18.028222        0.0664
BFGS:    1 15:05:23      -18.028422        0.0667
BFGS:    2 15:05:23      -18.029423        0.0677
BFGS:    3 15:05:23      -18.029532        0.0666
BFGS:    4 15:05:23      -18.030795        0.0528
BFGS:    5 15:05:23      -18.031641        0.0462
BFGS:    6 15:05:23      -18.032134        0.0184
BFGS:    7 15:05:23      -18.032204        0.0168
BFGS:    8 15:05:23      -18.032216        0.0157
BFGS:    9 15:05:23      -18.032237        0.0141
BFGS:   10 15:05:23      -18.032283        0.0110
BFGS:   11 15:05:23      -18.032371        0.0148
BFGS:   12 15:05:23      -18.032484        0.0138
BFGS:   13 15:05:23      -18.032555        0.0069
BFGS:   14 15:05:23      -18.032572        0.0014
BFGS:   15 15:05:23      -18.032573        0.0002
BFGS:   16 15:05:23      -18.032573        0.0000
BFGS:   17 15:05:23      -18.032573        0.0000
BFGS:   18 15:05:23      -18.032573        0.0000
BFGS:   19 15:05:23      -18.032573        0.0000
Minimization converged after 19 steps.
Maximum force component: 4.42841808362404e-10 eV/Angstrom
Maximum stress component: 1.7328046159567088e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [4.99999997e-01 3.33333335e-09 6.12606369e-55]
 [9.99999997e-01 5.00000003e-01 0.00000000e+00]
 [4.99999997e-01 5.00000003e-01 0.00000000e+00]
 [4.99999997e-01 3.33333335e-09 5.00000000e-01]
 [9.99999997e-01 5.00000003e-01 5.00000000e-01]
 [4.99999997e-01 5.00000003e-01 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 4.38720535e-01]
 [6.66666663e-01 3.33333337e-01 9.38720535e-01]
 [6.66666663e-01 3.33333337e-01 5.61279465e-01]
 [3.33333330e-01 6.66666670e-01 6.12794652e-02]]
cellpar =  Cell([[5.2799974410105674, 3.139500498533051e-18, -3.561677766966827e-38], [-2.6399987205052837, 4.572611915831982, 1.9190691215939245e-37], [-1.3964339576812695e-37, 1.1008620071983454e-37, 8.521366796411952]])
forces =  [[-2.71170805e-33  4.69681611e-33  1.97119610e-70]
 [ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.71170805e-31  3.19383496e-31 -4.42841808e-10]
 [ 2.71170805e-32 -4.69681611e-32 -4.42841808e-10]
 [ 9.76214897e-32 -1.69085380e-31  4.42841808e-10]
 [-1.95242979e-31  3.75745289e-32  4.42841808e-10]]
stress =  [-2.65669501e-12 -2.65669501e-12  1.73280462e-11  9.61766976e-48
  3.62166557e-48 -4.72258150e-28]
energy per atom =  -1.5027144069563982
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0