element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP6_136_f_a
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:
['4.2324', '0.63647103', '0.30675261']
model name:
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.30675261 0.30675261 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[4.2324, 0, 0], [0, 4.2324, 0], [0, 0, 2.6938]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:23      -46.793879         1.940993
BFGS:    1 16:28:23      -46.943711         1.836692
BFGS:    2 16:28:23      -47.101466         1.629725
BFGS:    3 16:28:23      -47.207148         1.470609
BFGS:    4 16:28:23      -47.289643         1.307734
BFGS:    5 16:28:23      -47.362953         1.197483
BFGS:    6 16:28:23      -47.436872         1.145875
BFGS:    7 16:28:23      -47.536698         1.188151
BFGS:    8 16:28:23      -47.664849         1.268990
BFGS:    9 16:28:23      -47.801196         1.339651
BFGS:   10 16:28:23      -47.921840         1.346568
BFGS:   11 16:28:23      -48.018471         1.272833
BFGS:   12 16:28:23      -48.101454         1.194586
BFGS:   13 16:28:23      -48.173377         1.093781
BFGS:   14 16:28:23      -48.235297         0.961073
BFGS:   15 16:28:23      -48.287633         0.864260
BFGS:   16 16:28:23      -48.333036         0.789364
BFGS:   17 16:28:23      -48.372737         0.724136
BFGS:   18 16:28:23      -48.407583         0.662297
BFGS:   19 16:28:23      -48.437091         0.576765
BFGS:   20 16:28:23      -48.460323         0.483958
BFGS:   21 16:28:23      -48.475769         0.350756
BFGS:   22 16:28:24      -48.483963         0.240177
BFGS:   23 16:28:24      -48.488639         0.268469
BFGS:   24 16:28:24      -48.497957         0.287599
BFGS:   25 16:28:24      -48.509407         0.288620
BFGS:   26 16:28:24      -48.522827         0.262558
BFGS:   27 16:28:24      -48.537399         0.225223
BFGS:   28 16:28:24      -48.552036         0.163719
BFGS:   29 16:28:24      -48.562312         0.091890
BFGS:   30 16:28:24      -48.564627         0.044462
BFGS:   31 16:28:24      -48.565167         0.003866
BFGS:   32 16:28:24      -48.565174         0.001101
BFGS:   33 16:28:24      -48.565175         0.000552
BFGS:   34 16:28:24      -48.565175         0.000001
BFGS:   35 16:28:24      -48.565175         0.000000
Minimization converged after 35 steps.
Maximum force component: 4.2106857601337255e-09 eV/Angstrom
Maximum stress component: 7.826076126548965e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
basis =  [[2.60849397e-01 2.60849397e-01 0.00000000e+00]
 [7.39150603e-01 7.39150603e-01 7.46512458e-33]
 [2.39150603e-01 7.60849397e-01 5.00000000e-01]
 [7.60849397e-01 2.39150603e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.285121228421054, 5.482363579721769e-36, 3.466803971166632e-32], [2.6581268170093642e-36, 4.285121228421055, -3.688734395859083e-17], [-2.248332531646763e-33, -2.176638889651916e-17, 3.3022762072701446]])
forces =  [[-4.21068576e-09 -4.21068576e-09  3.62466264e-26]
 [ 4.21068576e-09  4.21068576e-09 -3.62465043e-26]
 [ 4.21068576e-09 -4.21068576e-09  3.62465043e-26]
 [-4.21068576e-09  4.21068576e-09 -3.62466264e-26]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-7.82607613e-10 -7.82607613e-10 -2.99397667e-10  8.07761182e-26
 -8.71051738e-34  3.63782948e-50]
energy per atom =  -8.094195757964492
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0