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 20:03:25       -5.893859        11.632011
BFGS:    1 20:03:25       -6.904175         9.580145
BFGS:    2 20:03:25       -7.706116         7.674974
BFGS:    3 20:03:25       -8.322405         5.926877
BFGS:    4 20:03:26       -8.774980         4.345513
BFGS:    5 20:03:26       -9.085127         2.939756
BFGS:    6 20:03:26       -9.273799         1.717141
BFGS:    7 20:03:26       -9.362091         0.684733
BFGS:    8 20:03:26       -9.376404         0.192101
BFGS:    9 20:03:26       -9.377426         0.135278
BFGS:   10 20:03:26       -9.379409         0.186372
BFGS:   11 20:03:26       -9.383114         0.222429
BFGS:   12 20:03:26       -9.388215         0.198059
BFGS:   13 20:03:26       -9.391876         0.126764
BFGS:   14 20:03:26       -9.392776         0.041779
BFGS:   15 20:03:26       -9.392862         0.007089
BFGS:   16 20:03:26       -9.392868         0.000584
BFGS:   17 20:03:26       -9.392868         0.000073
BFGS:   18 20:03:26       -9.392868         0.000003
BFGS:   19 20:03:27       -9.392868         0.000000
BFGS:   20 20:03:27       -9.392868         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.536949112519774e-31 eV/Angstrom
Maximum stress component: 5.660757787202059e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 5.27342833e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.44459887e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.9876850304151965, -7.0141893701085e-36, -1.3994627417863377e-34], [7.722320993547717e-36, 4.987685030415196, 2.01443382593846e-18], [9.875010615510228e-53, 1.4769586302086944e-18, 2.969764775056284]])
forces =  [[-1.53694911e-31 -3.07389823e-32 -1.24149070e-50]
 [-1.22955929e-31  2.68966095e-32  9.15129425e-33]
 [-3.07389823e-32  3.84237278e-32 -9.15129425e-33]
 [ 3.07389823e-32 -1.72906775e-32 -6.98338517e-51]]
stress =  [ 5.66075779e-12  5.66075779e-12  1.03424273e-12  3.85473598e-28
  1.04018216e-34 -6.61161991e-51]
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