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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:30:55      -85.464937         8.925771
BFGS:    1 15:30:55      -86.802005         8.899055
BFGS:    2 15:30:55      -88.133790         8.855069
BFGS:    3 15:30:55      -89.457579         8.792155
BFGS:    4 15:30:55      -90.770401         8.708519
BFGS:    5 15:30:55      -92.069002         8.602221
BFGS:    6 15:30:55      -93.349829         8.471161
BFGS:    7 15:30:55      -94.608999         8.313068
BFGS:    8 15:30:55      -95.842275         8.125484
BFGS:    9 15:30:55      -97.045037         7.905751
BFGS:   10 15:30:55      -98.213527         7.677081
BFGS:   11 15:30:56      -99.343679         7.384997
BFGS:   12 15:30:56     -100.426953         7.051442
BFGS:   13 15:30:56     -101.456857         6.672776
BFGS:   14 15:30:56     -102.426334         6.245064
BFGS:   15 15:30:56     -103.327711         5.764044
BFGS:   16 15:30:56     -104.152652         5.225109
BFGS:   17 15:30:56     -104.892099         4.623270
BFGS:   18 15:30:56     -105.536219         3.953131
BFGS:   19 15:30:56     -106.077880         3.290248
BFGS:   20 15:30:56     -106.510805         2.468127
BFGS:   21 15:30:56     -106.813959         1.558794
BFGS:   22 15:30:56     -106.973713         0.554843
BFGS:   23 15:30:56     -106.995129         0.043497
BFGS:   24 15:30:56     -106.995257         0.001087
BFGS:   25 15:30:56     -106.995257         0.000002
BFGS:   26 15:30:56     -106.995257         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.7365488867070016e-29 eV/Angstrom
Maximum stress component: 4.665182598082691e-12 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 6.31522915e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [7.19398652e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 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 2.02087333e-33 7.50000000e-01]
 [5.00000000e-01 3.15761457e-33 2.50000000e-01]]
cellpar =  Cell([[6.099319276989931, 1.8707108832097087e-32, -1.2214835539652968e-32], [1.1807309256975902e-32, 6.099319276989931, -1.4996300972481766e-17], [1.5547728063605287e-32, -1.4996300972481853e-17, 6.099319276989931]])
forces =  [[-5.51319373e-30 -1.69094141e-62  1.10410280e-62]
 [ 4.61103475e-30  1.41424190e-62 -9.23431430e-63]
 [ 5.85239488e-63  3.00719658e-30  1.21384237e-32]
 [ 6.56111207e-63  3.38309615e-30  4.69874465e-33]
 [ 1.25299857e-32 -3.45041537e-48  1.40335840e-30]
 [ 4.69874465e-33 -7.39374723e-48  3.00719658e-30]
 [-2.34937233e-33 -2.26542142e-29  5.56995624e-47]
 [-1.56624822e-33  1.46099634e-29 -3.59212886e-47]
 [-3.60863589e-30 -3.08072801e-50  1.25299857e-32]
 [ 1.60383818e-30 -1.92545501e-50  7.83124109e-33]
 [-4.44606063e-62  4.28837339e-47 -1.74417402e-29]
 [ 6.97571581e-62 -6.72830997e-47  2.73654889e-29]]
stress =  [-4.66518260e-12 -4.66518260e-12 -4.66518260e-12  8.63254553e-29
 -1.54619586e-33 -2.95829983e-50]
energy per atom =  -8.916271429580096
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0