element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:19:56      -21.440253        0.8083
BFGS:    1 17:19:56      -21.498924        0.3816
BFGS:    2 17:19:56      -21.515652        0.4198
BFGS:    3 17:19:56      -21.519625        0.4083
BFGS:    4 17:19:56      -21.531761        0.3213
BFGS:    5 17:19:56      -21.541835        0.1928
BFGS:    6 17:19:56      -21.547592        0.1182
BFGS:    7 17:19:56      -21.549087        0.0965
BFGS:    8 17:19:56      -21.549521        0.0774
BFGS:    9 17:19:56      -21.550056        0.0565
BFGS:   10 17:19:56      -21.551223        0.0782
BFGS:   11 17:19:56      -21.552841        0.0841
BFGS:   12 17:19:56      -21.554128        0.0496
BFGS:   13 17:19:56      -21.554491        0.0117
BFGS:   14 17:19:56      -21.554520        0.0015
BFGS:   15 17:19:56      -21.554521        0.0001
BFGS:   16 17:19:56      -21.554521        0.0000
BFGS:   17 17:19:56      -21.554521        0.0000
BFGS:   18 17:19:56      -21.554521        0.0000
BFGS:   19 17:19:56      -21.554521        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.592381791817391e-09 eV/Angstrom
Maximum stress component: 1.7913594984038582e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18574130e-01 8.18574130e-01 1.45897208e-34]
 [1.81425870e-01 1.81425870e-01 2.43162013e-35]
 [1.81425870e-01 8.18574130e-01 4.86324026e-35]
 [8.18574130e-01 1.81425870e-01 3.64743020e-35]
 [3.18574130e-01 3.18574130e-01 5.00000000e-01]
 [6.81425870e-01 6.81425870e-01 5.00000000e-01]
 [6.81425870e-01 3.18574130e-01 5.00000000e-01]
 [3.18574130e-01 6.81425870e-01 5.00000000e-01]]
cellpar =  Cell([[6.6912314120413106, 1.1220273698079631e-35, 2.352368103061455e-32], [1.0153250369178932e-35, 6.691231412041311, 1.3017672996520666e-18], [1.72317626256911e-32, 7.194186440618467e-19, 3.9601784825018953]])
forces =  [[-2.59238179e-09 -2.59238179e-09 -5.04325012e-28]
 [ 2.59238179e-09  2.59238179e-09  5.04331114e-28]
 [ 2.59238179e-09 -2.59238179e-09 -5.04331114e-28]
 [-2.59238179e-09  2.59238179e-09  5.04355520e-28]
 [-2.59238179e-09 -2.59238179e-09 -5.04331114e-28]
 [ 2.59238179e-09  2.59238179e-09  5.04361622e-28]
 [ 2.59238179e-09 -2.59238179e-09 -5.04343317e-28]
 [-2.59238179e-09  2.59238179e-09  5.04367723e-28]]
stress =  [ 1.77774303e-11  1.77774303e-11  1.79135950e-10  2.48066420e-26
 -2.32578547e-34 -3.63605162e-50]
energy per atom =  -2.694315074496047
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0