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_BroughtonMeliVashishta_1997_SiO__SM_422553794879_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 15:12:02       11.129700         7.648147
BFGS:    1 15:12:02       10.071487         6.778108
BFGS:    2 15:12:02        9.139793         6.097050
BFGS:    3 15:12:02        8.301522         5.484607
BFGS:    4 15:12:02        7.541224         4.912645
BFGS:    5 15:12:02        6.854551         4.377968
BFGS:    6 15:12:02        6.237437         3.905082
BFGS:    7 15:12:02        5.692557         3.510597
BFGS:    8 15:12:02        5.205682         3.203761
BFGS:    9 15:12:02        4.753006         2.954974
BFGS:   10 15:12:02        4.332643         2.728601
BFGS:   11 15:12:02        3.943393         2.515707
BFGS:   12 15:12:02        3.583489         2.320806
BFGS:   13 15:12:02        3.251294         2.139256
BFGS:   14 15:12:02        2.945284         1.967887
BFGS:   15 15:12:02        2.664042         1.805984
BFGS:   16 15:12:02        2.406250         1.652888
BFGS:   17 15:12:02        2.171131         1.508282
BFGS:   18 15:12:02        1.955769         1.398802
BFGS:   19 15:12:02        1.755774         1.300704
BFGS:   20 15:12:02        1.570236         1.207748
BFGS:   21 15:12:02        1.398392         1.119593
BFGS:   22 15:12:02        1.239530         1.035925
BFGS:   23 15:12:02        1.092984         0.956456
BFGS:   24 15:12:02        0.958130         0.880921
BFGS:   25 15:12:02        0.834386         0.809074
BFGS:   26 15:12:02        0.721204         0.740689
BFGS:   27 15:12:02        0.618070         0.675557
BFGS:   28 15:12:02        0.524501         0.613484
BFGS:   29 15:12:02        0.440042         0.554290
BFGS:   30 15:12:02        0.364267         0.497808
BFGS:   31 15:12:02        0.296770         0.443884
BFGS:   32 15:12:02        0.237172         0.392372
BFGS:   33 15:12:02        0.185114         0.343140
BFGS:   34 15:12:02        0.140253         0.296063
BFGS:   35 15:12:02        0.102269         0.251023
BFGS:   36 15:12:02        0.070854         0.207915
BFGS:   37 15:12:02        0.045718         0.166636
BFGS:   38 15:12:02        0.026582         0.127095
BFGS:   39 15:12:02        0.013178         0.089208
BFGS:   40 15:12:02        0.005245         0.052916
BFGS:   41 15:12:02        0.001309         0.026078
BFGS:   42 15:12:02        0.000002         0.001030
BFGS:   43 15:12:02        0.000000         0.000021
BFGS:   44 15:12:02        0.000000         0.000000
BFGS:   45 15:12:02        0.000000         0.000000
Minimization converged after 45 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.898875787617755e-15 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([[5.499999999999225, 1.9108421605234054e-16, -1.481945641019076e-35], [-2.7499999999996123, 4.763139720813742, -2.332827861489391e-35], [-2.770579965031064e-35, -1.489561378660656e-34, 9.303967253477017]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.89887579e-15 -4.89887579e-15 -2.59815503e-84 -7.84308024e-50
 -1.45881071e-50 -4.97682203e-31]
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