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_2012LDA_Si__MO_517338295712_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 17:25:14       -8.729433         7.683435
BFGS:    1 17:25:14       -9.365698         5.854297
BFGS:    2 17:25:14       -9.824411         4.194949
BFGS:    3 17:25:14      -10.128482         2.716008
BFGS:    4 17:25:14      -10.300691         1.427545
BFGS:    5 17:25:14      -10.364619         0.342026
BFGS:    6 17:25:14      -10.367241         0.139897
BFGS:    7 17:25:14      -10.368031         0.132819
BFGS:    8 17:25:14      -10.370623         0.179188
BFGS:    9 17:25:14      -10.373672         0.172336
BFGS:   10 17:25:14      -10.376249         0.112117
BFGS:   11 17:25:14      -10.376961         0.041264
BFGS:   12 17:25:14      -10.377031         0.006390
BFGS:   13 17:25:14      -10.377034         0.000358
BFGS:   14 17:25:14      -10.377034         0.000039
BFGS:   15 17:25:14      -10.377034         0.000002
BFGS:   16 17:25:14      -10.377034         0.000000
BFGS:   17 17:25:14      -10.377034         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.716708909276064e-31 eV/Angstrom
Maximum stress component: 2.5841042811549083e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 1.07855839e-32 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 9.55501963e-33 7.50000000e-01]]
cellpar =  Cell([[4.940791290783778, 6.252935517312913e-35, 1.1322438282293124e-36], [2.9760633720240624e-36, 4.940791290783777, 4.680426433228594e-19], [9.148046434438687e-37, 2.6796860030087993e-19, 2.865506778846642]])
forces =  [[-1.65095970e-31  1.21799909e-31 -1.76600490e-32]
 [-2.63582616e-31 -6.08999545e-32 -1.10375306e-32]
 [ 2.71670891e-31  2.13149841e-31 -2.20750612e-32]
 [ 2.05061566e-31 -8.25742002e-52 -8.83002450e-33]]
stress =  [ 2.58410428e-12  2.58410428e-12 -9.67373338e-13 -1.98229760e-29
 -8.50202845e-36 -6.28306899e-53]
energy per atom =  -2.5942586059473705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0