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 20:03:23       -8.729433         7.683435
BFGS:    1 20:03:23       -9.365698         5.854297
BFGS:    2 20:03:23       -9.824411         4.194949
BFGS:    3 20:03:23      -10.128482         2.716008
BFGS:    4 20:03:23      -10.300691         1.427545
BFGS:    5 20:03:23      -10.364619         0.342026
BFGS:    6 20:03:24      -10.367241         0.139897
BFGS:    7 20:03:24      -10.368031         0.132819
BFGS:    8 20:03:24      -10.370623         0.179188
BFGS:    9 20:03:24      -10.373672         0.172336
BFGS:   10 20:03:24      -10.376249         0.112117
BFGS:   11 20:03:24      -10.376961         0.041264
BFGS:   12 20:03:24      -10.377031         0.006390
BFGS:   13 20:03:24      -10.377034         0.000358
BFGS:   14 20:03:24      -10.377034         0.000039
BFGS:   15 20:03:24      -10.377034         0.000002
BFGS:   16 20:03:24      -10.377034         0.000000
BFGS:   17 20:03:24      -10.377034         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.5674965900263095e-32 eV/Angstrom
Maximum stress component: 2.585541830097991e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 3.85303538e-34 1.32967281e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.11046520e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.61314769e-33 7.50000000e-01]]
cellpar =  Cell([[4.94079129078378, 1.3799170852954937e-36, -9.048866994158759e-51], [1.0474925396296934e-36, 4.94079129078378, -1.0588331865908646e-17], [-9.293602095133938e-42, -6.179101855233039e-18, 2.8655067788466417]])
forces =  [[-1.52249886e-32 -4.56749659e-32  9.78834499e-50]
 [-1.52249886e-32  3.04499773e-32  1.10375306e-33]
 [-6.45567120e-69 -3.04499773e-32  6.52556333e-50]
 [ 3.57976531e-75  2.38010346e-51 -1.10375306e-33]]
stress =  [ 2.58554183e-12  2.58554183e-12 -9.65852062e-13  3.50513577e-30
 -6.80162276e-36 -1.45670845e-53]
energy per atom =  -2.5942586059473696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0