element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:32:02      -29.099734         1.269644
BFGS:    1 16:32:02      -29.166378         1.180320
BFGS:    2 16:32:02      -29.325652         0.946322
BFGS:    3 16:32:02      -29.451170         0.730217
BFGS:    4 16:32:03      -29.545600         0.531755
BFGS:    5 16:32:03      -29.611556         0.350482
BFGS:    6 16:32:03      -29.651570         0.185718
BFGS:    7 16:32:03      -29.668052         0.036553
BFGS:    8 16:32:03      -29.668763         0.002254
BFGS:    9 16:32:03      -29.668765         0.000030
BFGS:   10 16:32:03      -29.668765         0.000000
BFGS:   11 16:32:03      -29.668765         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.3675855485484648e-31 eV/Angstrom
Maximum stress component: 1.0093216350895312e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 6.79431623e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.35580920e-37 5.00000000e-01 2.50000000e-01]
 [1.54973418e-38 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.34146700e-33 7.50000000e-01]
 [5.00000000e-01 3.39715811e-33 2.50000000e-01]]
cellpar =  Cell([[6.916470922895282, 6.71663697975293e-33, 3.745522613027127e-34], [1.4387068723115923e-32, 6.916470922895282, 9.8223070191678e-18], [-6.615111928156096e-33, 9.822307019167701e-18, 6.916470922895282]])
forces =  [[-2.30891067e-32 -1.77608513e-33  1.77608513e-33]
 [ 2.70852982e-32 -1.77608513e-33 -1.55407449e-33]
 [ 1.77608513e-33 -7.28194902e-32 -1.83158779e-33]
 [-1.77608513e-33  1.36758555e-31 -8.36550636e-34]
 [-1.83158779e-33  8.88042564e-34  7.28194902e-32]
 [-2.60862503e-33 -1.77608513e-33 -7.45955754e-32]
 [-1.77608513e-33 -6.74912349e-32 -1.01694749e-33]
 [ 1.77608513e-33  7.10434051e-32 -1.77608513e-33]
 [-4.26260431e-32 -2.22010641e-33 -1.55407449e-33]
 [-7.10434051e-33 -1.77608513e-33  1.55407449e-33]
 [-1.99809577e-33  8.88042564e-34 -7.28194902e-32]
 [-2.66412769e-33 -1.77608513e-33  6.52711285e-32]]
stress =  [-1.00932164e-14 -1.00932164e-14 -1.00932164e-14  1.32518167e-30
 -8.58875262e-35  5.90590519e-51]
energy per atom =  -2.4723971090274888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0