element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
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:
['4.8146', '0.54949529']
model name:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:25:15       -5.893859        11.632011
BFGS:    1 17:25:15       -6.904175         9.580145
BFGS:    2 17:25:15       -7.706116         7.674974
BFGS:    3 17:25:15       -8.322405         5.926877
BFGS:    4 17:25:15       -8.774980         4.345513
BFGS:    5 17:25:15       -9.085127         2.939756
BFGS:    6 17:25:15       -9.273799         1.717141
BFGS:    7 17:25:15       -9.362091         0.684733
BFGS:    8 17:25:15       -9.376404         0.192101
BFGS:    9 17:25:15       -9.377426         0.135278
BFGS:   10 17:25:15       -9.379409         0.186372
BFGS:   11 17:25:15       -9.383114         0.222429
BFGS:   12 17:25:15       -9.388215         0.198059
BFGS:   13 17:25:15       -9.391876         0.126764
BFGS:   14 17:25:15       -9.392776         0.041779
BFGS:   15 17:25:15       -9.392862         0.007089
BFGS:   16 17:25:15       -9.392868         0.000584
BFGS:   17 17:25:15       -9.392868         0.000073
BFGS:   18 17:25:15       -9.392868         0.000003
BFGS:   19 17:25:15       -9.392868         0.000000
BFGS:   20 17:25:15       -9.392868         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.2295592900158193e-31 eV/Angstrom
Maximum stress component: 5.661874381859792e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 4.80138088e-33 3.18738199e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.03022592e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.72274084e-35 7.50000000e-01]]
cellpar =  Cell([[4.9876850304151965, 1.7190049943514158e-35, -1.4650984472856247e-37], [-9.029773055152945e-36, 4.9876850304151965, -2.92939495046592e-18], [-2.551554646671748e-53, -1.5478341212098593e-18, 2.969764775056286]])
forces =  [[ 3.07389823e-32 -7.68474556e-32 -3.66051770e-32]
 [ 9.22169468e-32  1.22955929e-31  5.49077655e-32]
 [-3.84237278e-32  3.07389823e-32  5.49077655e-32]
 [-8.45322012e-32  1.22955929e-31 -1.83025885e-32]]
stress =  [ 5.66187438e-12  5.66187438e-12  1.03611066e-12 -1.41784393e-29
  4.54894804e-65 -7.02017708e-64]
energy per atom =  -2.3482171229620903
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0