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_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 14:10:21        2.336642        23.064425
BFGS:    1 14:10:21       -0.502720        16.515589
BFGS:    2 14:10:21       -2.451824        10.786200
BFGS:    3 14:10:21       -3.587039         6.010152
BFGS:    4 14:10:21       -4.092096         2.001415
BFGS:    5 14:10:21       -4.159625         0.315953
BFGS:    6 14:10:21       -4.161785         0.206658
BFGS:    7 14:10:21       -4.162768         0.248157
BFGS:    8 14:10:21       -4.164523         0.213016
BFGS:    9 14:10:21       -4.165313         0.096043
BFGS:   10 14:10:21       -4.165457         0.019193
BFGS:   11 14:10:21       -4.165465         0.002705
BFGS:   12 14:10:21       -4.165465         0.000245
BFGS:   13 14:10:21       -4.165465         0.000022
BFGS:   14 14:10:21       -4.165465         0.000000
BFGS:   15 14:10:21       -4.165465         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.043295330930267e-32 eV/Angstrom
Maximum stress component: 2.350003979900036e-10 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([[3.0131579463071656, 1.6845926198867983e-17, 5.596573448479677e-35], [-1.5065789731535828, 2.6094713271169527, -3.2122205491841306e-36], [1.887209924291187e-34, 7.629913337385908e-34, 4.9204663230276005]])
forces =  [[-1.54750163e-33 -2.68035145e-33  4.04329533e-32]
 [-1.54750163e-32  5.36070290e-33 -4.04329533e-32]]
stress =  [-2.35000398e-10 -2.35000398e-10 -7.64233886e-11 -2.39994714e-33
 -5.54244050e-34 -6.94714875e-26]
energy per atom =  -2.0827324778022653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0