element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4868', '0.34394406']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.34394406 0.34394406 0.34394406]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.4868, 0, 0], [0, 4.4868, 0], [0, 0, 4.4868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:58      -60.043148         3.319217
BFGS:    1 16:23:58      -60.527142         3.080846
BFGS:    2 16:23:58      -60.984897         2.843377
BFGS:    3 16:23:58      -61.397302         2.586696
BFGS:    4 16:23:58      -61.768747         2.341945
BFGS:    5 16:23:58      -62.102932         2.108771
BFGS:    6 16:23:58      -62.402376         1.886778
BFGS:    7 16:23:58      -62.669087         1.675533
BFGS:    8 16:23:58      -62.904805         1.474585
BFGS:    9 16:23:58      -63.111117         1.283472
BFGS:   10 16:23:58      -63.289500         1.101917
BFGS:   11 16:23:58      -63.442100         0.939407
BFGS:   12 16:23:58      -63.571070         0.785700
BFGS:   13 16:23:58      -63.677629         0.639903
BFGS:   14 16:23:58      -63.762935         0.501613
BFGS:   15 16:23:58      -63.828082         0.370439
BFGS:   16 16:23:58      -63.874109         0.246008
BFGS:   17 16:23:58      -63.901996         0.127958
BFGS:   18 16:23:58      -63.912315         0.011003
BFGS:   19 16:23:58      -63.912395         0.008379
BFGS:   20 16:23:59      -63.912402         0.006210
BFGS:   21 16:23:59      -63.912410         0.000550
BFGS:   22 16:23:59      -63.912411         0.000126
BFGS:   23 16:23:59      -63.912411         0.000007
BFGS:   24 16:23:59      -63.912411         0.000000
BFGS:   25 16:23:59      -63.912411         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.1552036815015768e-09 eV/Angstrom
Maximum stress component: 1.8587997651090438e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.39279566e-01 3.39279566e-01 3.39279566e-01]
 [1.60720434e-01 6.60720434e-01 8.39279566e-01]
 [6.60720434e-01 8.39279566e-01 1.60720434e-01]
 [8.39279566e-01 1.60720434e-01 6.60720434e-01]
 [6.60720434e-01 6.60720434e-01 6.60720434e-01]
 [8.39279566e-01 3.39279566e-01 1.60720434e-01]
 [3.39279566e-01 1.60720434e-01 8.39279566e-01]
 [1.60720434e-01 8.39279566e-01 3.39279566e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 1.73141825e-53 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.824016223229954, 7.348727104609395e-37, 0.0], [-3.4693714429656143e-38, 4.824016223229954, 0.0], [0.0, 0.0, 4.824016223229954]])
forces =  [[-1.15520368e-09 -1.15520368e-09 -1.15520368e-09]
 [ 1.15520368e-09  1.15520368e-09 -1.15520368e-09]
 [ 1.15520368e-09 -1.15520368e-09  1.15520368e-09]
 [-1.15520368e-09  1.15520368e-09  1.15520368e-09]
 [ 1.15520368e-09  1.15520368e-09  1.15520368e-09]
 [-1.15520368e-09 -1.15520368e-09  1.15520368e-09]
 [-1.15520368e-09  1.15520368e-09 -1.15520368e-09]
 [ 1.15520368e-09 -1.15520368e-09 -1.15520368e-09]
 [ 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]]
stress =  [-1.85879977e-10 -1.85879977e-10 -1.85879977e-10  0.00000000e+00
  0.00000000e+00 -5.64978165e-33]
energy per atom =  -5.326034217338852
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0