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:
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 15:08:10       12.707387       57.4207
BFGS:    1 15:08:10        5.615407       42.7814
BFGS:    2 15:08:10        0.697394       30.1615
BFGS:    3 15:08:10       -2.456340       19.9096
BFGS:    4 15:08:10       -4.351447       11.2076
BFGS:    5 15:08:10       -5.257652        3.8827
BFGS:    6 15:08:10       -5.399149        0.6647
BFGS:    7 15:08:10       -5.403428        0.0823
BFGS:    8 15:08:10       -5.403472        0.0233
BFGS:    9 15:08:10       -5.403481        0.0120
BFGS:   10 15:08:10       -5.403498        0.0119
BFGS:   11 15:08:10       -5.403500        0.0040
BFGS:   12 15:08:10       -5.403501        0.0004
BFGS:   13 15:08:10       -5.403501        0.0000
BFGS:   14 15:08:10       -5.403501        0.0000
BFGS:   15 15:08:10       -5.403501        0.0000
BFGS:   16 15:08:10       -5.403501        0.0000
Minimization converged after 16 steps.
Maximum force component: 8.21042521139154e-32 eV/Angstrom
Maximum stress component: 1.2699521650609479e-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([[3.0593001436966634, -1.4932952230884433e-17, -1.5175090925834727e-35], [-1.5296500718483317, 2.6494316422426945, -1.9199978088887929e-35], [-2.1599166242431816e-35, -5.344631808330329e-34, 4.995816214727747]])
forces =  [[ 4.71359820e-32 -2.72139719e-32  8.21042521e-32]
 [-4.71359820e-32  3.80995607e-32 -8.21042521e-32]]
stress =  [-1.26995217e-11 -1.26995217e-11 -1.08497171e-11  2.72007242e-45
  1.34217795e-45  8.53576981e-28]
energy per atom =  -2.701750270627032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0