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 15:10:48       12.707387        57.420728
BFGS:    1 15:10:48        5.615407        42.781384
BFGS:    2 15:10:48        0.697394        30.161509
BFGS:    3 15:10:48       -2.456340        19.909568
BFGS:    4 15:10:48       -4.351447        11.207578
BFGS:    5 15:10:48       -5.257652         3.882706
BFGS:    6 15:10:48       -5.399149         0.664665
BFGS:    7 15:10:48       -5.403428         0.082339
BFGS:    8 15:10:48       -5.403472         0.023346
BFGS:    9 15:10:48       -5.403481         0.012031
BFGS:   10 15:10:48       -5.403498         0.011934
BFGS:   11 15:10:48       -5.403500         0.003987
BFGS:   12 15:10:48       -5.403501         0.000401
BFGS:   13 15:10:48       -5.403501         0.000017
BFGS:   14 15:10:48       -5.403501         0.000000
BFGS:   15 15:10:48       -5.403501         0.000000
BFGS:   16 15:10:48       -5.403501         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.642085042278308e-31 eV/Angstrom
Maximum stress component: 1.2697853813248201e-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, 1.3727936926192076e-17, -1.0055889954647673e-34], [-1.5296500718483317, 2.6494316422426953, -2.0032854675154296e-34], [7.6399118455452735e-34, 2.2706977762560984e-33, 4.995816214727747]])
forces =  [[-2.51117824e-65 -7.46360293e-65 -1.64208504e-31]
 [ 1.25558912e-65  3.73180147e-65  8.21042521e-32]]
stress =  [-1.26978538e-11 -1.26978538e-11 -1.08480702e-11  6.98429462e-34
  1.20971531e-33 -4.35376299e-27]
energy per atom =  -2.7017502706270333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0