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_VashishtaKaliaRino_1990_SiO__SM_887826436433_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 15:02:30      -88.489983        2.3838
BFGS:    1 15:02:30      -88.737564        2.2142
BFGS:    2 15:02:30      -89.057916        1.9798
BFGS:    3 15:02:30      -89.339781        1.7644
BFGS:    4 15:02:30      -89.587617        1.5446
BFGS:    5 15:02:30      -89.801546        1.3111
BFGS:    6 15:02:30      -89.979110        1.0703
BFGS:    7 15:02:30      -90.121661        0.8407
BFGS:    8 15:02:30      -90.230909        0.6209
BFGS:    9 15:02:30      -90.307606        0.4068
BFGS:   10 15:02:30      -90.353810        0.2076
BFGS:   11 15:02:30      -90.370972        0.0345
BFGS:   12 15:02:30      -90.371215        0.0225
BFGS:   13 15:02:30      -90.371273        0.0127
BFGS:   14 15:02:30      -90.371305        0.0025
BFGS:   15 15:02:30      -90.371308        0.0006
BFGS:   16 15:02:30      -90.371308        0.0001
BFGS:   17 15:02:30      -90.371308        0.0000
BFGS:   18 15:02:30      -90.371308        0.0000
BFGS:   19 15:02:30      -90.371308        0.0000
Minimization converged after 19 steps.
Maximum force component: 7.838830713008395e-11 eV/Angstrom
Maximum stress component: 1.1006417794888462e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.41600134e-01 3.41600134e-01 3.41600134e-01]
 [1.58399866e-01 6.58399866e-01 8.41600134e-01]
 [6.58399866e-01 8.41600134e-01 1.58399866e-01]
 [8.41600134e-01 1.58399866e-01 6.58399866e-01]
 [6.58399866e-01 6.58399866e-01 6.58399866e-01]
 [8.41600134e-01 3.41600134e-01 1.58399866e-01]
 [3.41600134e-01 1.58399866e-01 8.41600134e-01]
 [1.58399866e-01 8.41600134e-01 3.41600134e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.11347642e-54 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.688239002141741, 2.711796711361908e-37, 0.0], [3.10566663305862e-38, 4.688239002141741, 0.0], [0.0, 0.0, 4.688239002141741]])
forces =  [[ 7.83883071e-11  7.83883071e-11  7.83883071e-11]
 [-7.83883071e-11 -7.83883071e-11  7.83883071e-11]
 [-7.83883071e-11  7.83883071e-11 -7.83883071e-11]
 [ 7.83883071e-11 -7.83883071e-11 -7.83883071e-11]
 [-7.83883071e-11 -7.83883071e-11 -7.83883071e-11]
 [ 7.83883071e-11  7.83883071e-11 -7.83883071e-11]
 [ 7.83883071e-11 -7.83883071e-11  7.83883071e-11]
 [-7.83883071e-11  7.83883071e-11  7.83883071e-11]
 [ 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 =  [-1.10064178e-10 -1.10064178e-10 -1.10064178e-10  0.00000000e+00
  0.00000000e+00  1.09564192e-64]
energy per atom =  -7.5309423429682845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0