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_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 15:32:14      -18.505252        0.4651
BFGS:    1 15:32:14      -18.508814        0.3974
BFGS:    2 15:32:14      -18.518786        0.1166
BFGS:    3 15:32:14      -18.519386        0.0573
BFGS:    4 15:32:14      -18.519651        0.0461
BFGS:    5 15:32:14      -18.519742        0.0420
BFGS:    6 15:32:14      -18.519949        0.0251
BFGS:    7 15:32:14      -18.519993        0.0116
BFGS:    8 15:32:14      -18.519999        0.0015
BFGS:    9 15:32:14      -18.519999        0.0001
BFGS:   10 15:32:14      -18.519999        0.0000
BFGS:   11 15:32:14      -18.519999        0.0000
BFGS:   12 15:32:14      -18.519999        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.738505278063537e-09 eV/Angstrom
Maximum stress component: 7.922513672634706e-12 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([[3.840261416543086, 2.036046446786984e-18, -1.3246597667384882e-38], [-1.920130708271543, 3.325763943899526, 2.4364445274378967e-39], [-1.1801450149423455e-36, -2.3975358060837503e-36, 6.271120633216259]])
forces =  [[-1.89339506e-31 -1.09315215e-31 -1.73850528e-09]
 [ 3.56983860e-31  2.56207535e-31 -1.73850528e-09]
 [ 4.41792181e-31 -3.27945644e-31  1.73850528e-09]
 [ 1.47921489e-31 -2.56207535e-31  1.73850528e-09]]
stress =  [-1.51844424e-12 -1.51844424e-12  7.92251367e-12  4.43246329e-34
 -5.97119570e-34  8.06729209e-29]
energy per atom =  -4.6299997999116735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0