element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP3_123_h_a
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:
['2.4116', '2.3361254', '0.80662489']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.5        0.5        0.80662489]
 [0.         0.         0.        ]]
spacegroup =  123
cell =  [[2.4116, 0, 0], [0, 2.4116, 0], [0, 0, 5.6338]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:25:32       -6.225723        12.153194
BFGS:    1 17:25:32       -7.689411        10.280810
BFGS:    2 17:25:32       -8.736050         8.662677
BFGS:    3 17:25:32       -9.586110         7.194595
BFGS:    4 17:25:32      -10.264994         5.702508
BFGS:    5 17:25:32      -10.786294         4.298313
BFGS:    6 17:25:32      -11.166148         3.002581
BFGS:    7 17:25:32      -11.421006         1.821820
BFGS:    8 17:25:32      -11.567203         0.771615
BFGS:    9 17:25:32      -11.622799         0.678596
BFGS:   10 17:25:32      -11.636679         0.676800
BFGS:   11 17:25:32      -11.666122         0.721855
BFGS:   12 17:25:33      -11.697261         0.803484
BFGS:   13 17:25:33      -11.730952         0.937966
BFGS:   14 17:25:33      -11.766886         1.092701
BFGS:   15 17:25:33      -11.795471         1.229283
BFGS:   16 17:25:33      -11.820843         1.329629
BFGS:   17 17:25:33      -11.846070         1.395117
BFGS:   18 17:25:33      -11.873193         1.427396
BFGS:   19 17:25:33      -11.903300         1.427569
BFGS:   20 17:25:33      -11.936769         1.395212
BFGS:   21 17:25:33      -11.973444         1.327607
BFGS:   22 17:25:33      -12.013067         1.214853
BFGS:   23 17:25:33      -12.051961         1.070655
BFGS:   24 17:25:33      -12.086171         0.912036
BFGS:   25 17:25:33      -12.115059         0.740326
BFGS:   26 17:25:33      -12.138040         0.557311
BFGS:   27 17:25:33      -12.154667         0.365617
BFGS:   28 17:25:33      -12.164711         0.169531
BFGS:   29 17:25:33      -12.168333         0.042302
BFGS:   30 17:25:33      -12.168450         0.036266
BFGS:   31 17:25:33      -12.168609         0.043078
BFGS:   32 17:25:33      -12.168802         0.032977
BFGS:   33 17:25:34      -12.168881         0.012456
BFGS:   34 17:25:34      -12.168894         0.002625
BFGS:   35 17:25:34      -12.168894         0.000191
BFGS:   36 17:25:34      -12.168894         0.000025
BFGS:   37 17:25:34      -12.168894         0.000000
BFGS:   38 17:25:34      -12.168894         0.000000
Minimization converged after 38 steps.
Maximum force component: 9.97732174656818e-11 eV/Angstrom
Maximum stress component: 4.804455555074481e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Si']
basis =  [[0.5        0.5        0.85094502]
 [0.5        0.5        0.14905498]
 [0.         0.         0.        ]]
cellpar =  Cell([[2.757625338201772, 1.174555964343539e-34, -3.786283244527567e-32], [1.3211276094796554e-34, 2.7576253382017715, 6.827969979266383e-17], [-8.128632866445834e-32, 1.2251611050843602e-16, 7.843715275511266]])
forces =  [[ 1.03397411e-42 -1.55842728e-27 -9.97732175e-11]
 [-1.03397411e-42  1.55842728e-27  9.97732175e-11]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.80445556e-12  4.80445556e-12 -3.91158551e-12  2.35052831e-27
  3.77750518e-43 -2.45124055e-58]
energy per atom =  -4.056297967681621
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0