element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:35      -36.755759        1.2564
BFGS:    1 17:33:35      -36.822364        1.2174
BFGS:    2 17:33:35      -36.996806        1.1084
BFGS:    3 17:33:35      -37.154838        0.9985
BFGS:    4 17:33:35      -37.296275        0.8869
BFGS:    5 17:33:35      -37.420763        0.7723
BFGS:    6 17:33:35      -37.527724        0.6529
BFGS:    7 17:33:35      -37.616316        0.5270
BFGS:    8 17:33:35      -37.685411        0.3926
BFGS:    9 17:33:35      -37.733584        0.2478
BFGS:   10 17:33:35      -37.759130        0.0906
BFGS:   11 17:33:35      -37.762817        0.0062
BFGS:   12 17:33:35      -37.762834        0.0001
BFGS:   13 17:33:35      -37.762834        0.0000
BFGS:   14 17:33:35      -37.762834        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.7839082109045815e-31 eV/Angstrom
Maximum stress component: 3.5554605352479766e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 5.73027291e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.86560093e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [3.24672917e-37 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.86513646e-33 7.50000000e-01]
 [5.00000000e-01 2.62637509e-33 2.50000000e-01]]
cellpar =  Cell([[6.4530704722898085, 2.2784402412028064e-33, 2.2203524546122129e-32], [2.1749809451341668e-33, 6.4530704722898085, 3.7170825396837774e-17], [-2.6996806300383675e-32, 3.717082539683773e-17, 6.4530704722898085]])
forces =  [[ 4.47413820e-32  7.63609661e-50  1.32567058e-32]
 [-3.97701173e-32  1.32567058e-32 -6.62835288e-33]
 [ 1.32567058e-32  1.25938705e-31 -9.94252932e-33]
 [-6.62835288e-33 -3.64559409e-32  1.65708822e-32]
 [ 1.16913277e-63  1.32567058e-32 -2.78390821e-31]
 [ 1.65708822e-32 -6.62835288e-33  5.30268231e-32]
 [-9.94252932e-33 -2.38620704e-31  1.32567058e-32]
 [ 1.65708822e-32  9.94252932e-33 -1.32567058e-32]
 [-5.96551759e-32  1.32567058e-32 -1.98850586e-32]
 [-1.45823763e-31  1.32567058e-32  2.15421469e-32]
 [ 1.32567058e-32  1.98850586e-32 -9.27969404e-32]
 [ 1.32567058e-32 -1.98850586e-32  1.10196367e-31]]
stress =  [-3.55546054e-13 -3.55546054e-13 -3.55546054e-13  4.33965338e-29
  4.76376023e-61  7.54152106e-62]
energy per atom =  -3.1469028473131977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0