element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:01       55.633793        38.230639
BFGS:    1 15:12:01       50.344128        33.881589
BFGS:    2 15:12:01       45.834600        30.549441
BFGS:    3 15:12:01       41.784964        27.558353
BFGS:    4 15:12:01       37.974412        24.696419
BFGS:    5 15:12:01       34.580589        22.085373
BFGS:    6 15:12:01       31.688784        19.901277
BFGS:    7 15:12:01       29.193546        18.008631
BFGS:    8 15:12:01       27.005743        16.513324
BFGS:    9 15:12:01       24.943241        15.321268
BFGS:   10 15:12:01       22.947801        14.309515
BFGS:   11 15:12:01       21.059222        13.336656
BFGS:   12 15:12:01       19.277372        12.402186
BFGS:   13 15:12:01       17.601575        11.505382
BFGS:   14 15:12:01       16.030696        10.645347
BFGS:   15 15:12:01       14.563228         9.821046
BFGS:   16 15:12:01       13.197371         9.031336
BFGS:   17 15:12:01       11.931096         8.274998
BFGS:   18 15:12:01       10.766979         7.553770
BFGS:   19 15:12:01        9.703084         7.025797
BFGS:   20 15:12:01        8.716429         6.536398
BFGS:   21 15:12:01        7.802271         6.073002
BFGS:   22 15:12:01        6.956466         5.633825
BFGS:   23 15:12:01        6.175188         5.217236
BFGS:   24 15:12:01        5.454888         4.821743
BFGS:   25 15:12:01        4.792273         4.445978
BFGS:   26 15:12:01        4.184278         4.088683
BFGS:   27 15:12:01        3.628046         3.748702
BFGS:   28 15:12:01        3.120908         3.424968
BFGS:   29 15:12:01        2.660367         3.116499
BFGS:   30 15:12:01        2.244082         2.822384
BFGS:   31 15:12:01        1.869856         2.541783
BFGS:   32 15:12:01        1.535623         2.273916
BFGS:   33 15:12:01        1.239435         2.018063
BFGS:   34 15:12:01        0.979457         1.773554
BFGS:   35 15:12:01        0.753949         1.539769
BFGS:   36 15:12:01        0.561264         1.316133
BFGS:   37 15:12:01        0.399834         1.102116
BFGS:   38 15:12:01        0.268161         0.897231
BFGS:   39 15:12:01        0.164806         0.701036
BFGS:   40 15:12:01        0.088367         0.513138
BFGS:   41 15:12:01        0.037453         0.333224
BFGS:   42 15:12:01        0.010526         0.165924
BFGS:   43 15:12:01        0.001662         0.065241
BFGS:   44 15:12:01        0.000001         0.001664
BFGS:   45 15:12:01        0.000000         0.000017
BFGS:   46 15:12:01        0.000000         0.000000
Minimization converged after 46 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.814011841413332e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[5.499999997560849, -9.957240994745876e-17, 2.1712102139430094e-37], [-2.7499999987804244, 4.763139718702047, -8.514244509228418e-35], [-6.441420625716224e-35, -1.6702027190535795e-34, 9.17506695283374]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.81401184e-11 -7.81401184e-11 -5.94901808e-80 -1.42244017e-45
 -5.48588226e-46 -1.60807949e-26]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0