element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:28      -45.156575         0.325474
BFGS:    1 15:52:28      -45.181683         0.269269
BFGS:    2 15:52:28      -45.235319         0.138418
BFGS:    3 15:52:28      -45.237447         0.149596
BFGS:    4 15:52:28      -45.239176         0.149216
BFGS:    5 15:52:28      -45.249715         0.125098
BFGS:    6 15:52:28      -45.259050         0.078675
BFGS:    7 15:52:28      -45.265409         0.053082
BFGS:    8 15:52:28      -45.267046         0.015415
BFGS:    9 15:52:28      -45.267194         0.001156
BFGS:   10 15:52:28      -45.267196         0.000155
BFGS:   11 15:52:28      -45.267196         0.000005
BFGS:   12 15:52:28      -45.267196         0.000000
BFGS:   13 15:52:28      -45.267196         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.9914232212734805e-10 eV/Angstrom
Maximum stress component: 2.0188665620500472e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.09974921 0.09974921 0.09974921]
 [0.40025079 0.90025079 0.59974921]
 [0.90025079 0.59974921 0.40025079]
 [0.59974921 0.40025079 0.90025079]
 [0.59974921 0.59974921 0.59974921]
 [0.90025079 0.40025079 0.09974921]
 [0.40025079 0.09974921 0.90025079]
 [0.09974921 0.90025079 0.40025079]
 [0.90025079 0.90025079 0.90025079]
 [0.59974921 0.09974921 0.40025079]
 [0.09974921 0.40025079 0.59974921]
 [0.40025079 0.59974921 0.09974921]
 [0.40025079 0.40025079 0.40025079]
 [0.09974921 0.59974921 0.90025079]
 [0.59974921 0.90025079 0.09974921]
 [0.90025079 0.09974921 0.59974921]]
cellpar =  Cell([[6.593079056458678, 3.557863117682296e-37, 0.0], [8.491928499077066e-38, 6.593079056458678, 0.0], [0.0, 0.0, 6.593079056458678]])
forces =  [[ 1.99142322e-10  1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10 -1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10  1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10 -1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10  1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10 -1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10  1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10 -1.99142322e-10 -1.99142322e-10]
 [-1.99142322e-10 -1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10  1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10 -1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10  1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10 -1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10  1.99142322e-10 -1.99142322e-10]
 [ 1.99142322e-10 -1.99142322e-10  1.99142322e-10]
 [-1.99142322e-10  1.99142322e-10  1.99142322e-10]]
stress =  [2.01886656e-11 2.01886656e-11 2.01886656e-11 0.00000000e+00
 0.00000000e+00 9.45197661e-35]
energy per atom =  -2.82919977846569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0