element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:58:12      -13.825954         1.715440
BFGS:    1 10:58:12      -13.928653         1.553849
BFGS:    2 10:58:12      -14.106524         1.211753
BFGS:    3 10:58:12      -14.239021         0.849612
BFGS:    4 10:58:12      -14.322835         0.467137
BFGS:    5 10:58:12      -14.354744         0.066431
BFGS:    6 10:58:12      -14.355055         0.032523
BFGS:    7 10:58:12      -14.355118         0.031972
BFGS:    8 10:58:12      -14.355295         0.033200
BFGS:    9 10:58:12      -14.355382         0.028657
BFGS:   10 10:58:12      -14.355483         0.018453
BFGS:   11 10:58:13      -14.355506         0.006136
BFGS:   12 10:58:13      -14.355508         0.000505
BFGS:   13 10:58:13      -14.355508         0.000047
BFGS:   14 10:58:13      -14.355508         0.000003
BFGS:   15 10:58:13      -14.355508         0.000000
BFGS:   16 10:58:13      -14.355508         0.000000
BFGS:   17 10:58:13      -14.355508         0.000000
Minimization converged after 17 steps.
Maximum force component: 6.512851706481204e-10 eV/Angstrom
Maximum stress component: 1.7291219116299543e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.661381998384638, 5.285934216687416e-19, -6.952139366330587e-37], [-1.830690999192319, 3.170849823560131, 3.18788204003107e-36], [1.6033877017288494e-36, 2.7693295837924467e-35, 5.9790117669891485]])
forces =  [[-8.64992001e-32  1.75876837e-31  6.51285171e-10]
 [ 2.40693426e-31  3.01662572e-45  6.51285171e-10]
 [ 3.00866783e-32 -7.81674832e-32 -6.51285171e-10]
 [-1.20346713e-31 -3.01660834e-45 -6.51285171e-10]]
stress =  [ 5.69864902e-11  5.69864902e-11  1.72912191e-10  3.24328245e-45
  1.28614396e-45 -7.93240269e-28]
energy per atom =  -3.5888770310093663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0