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 15:46:02      -85.464937         8.925771
BFGS:    1 15:46:02      -86.802005         8.899055
BFGS:    2 15:46:02      -88.133790         8.855069
BFGS:    3 15:46:02      -89.457579         8.792155
BFGS:    4 15:46:02      -90.770401         8.708519
BFGS:    5 15:46:02      -92.069002         8.602221
BFGS:    6 15:46:02      -93.349829         8.471161
BFGS:    7 15:46:02      -94.608999         8.313068
BFGS:    8 15:46:02      -95.842275         8.125484
BFGS:    9 15:46:02      -97.045037         7.905751
BFGS:   10 15:46:02      -98.213527         7.677081
BFGS:   11 15:46:02      -99.343679         7.384997
BFGS:   12 15:46:02     -100.426953         7.051442
BFGS:   13 15:46:02     -101.456857         6.672776
BFGS:   14 15:46:02     -102.426334         6.245064
BFGS:   15 15:46:02     -103.327711         5.764044
BFGS:   16 15:46:02     -104.152652         5.225109
BFGS:   17 15:46:02     -104.892099         4.623270
BFGS:   18 15:46:02     -105.536219         3.953131
BFGS:   19 15:46:02     -106.077880         3.290248
BFGS:   20 15:46:02     -106.510805         2.468127
BFGS:   21 15:46:02     -106.813959         1.558794
BFGS:   22 15:46:02     -106.973713         0.554843
BFGS:   23 15:46:02     -106.995129         0.043497
BFGS:   24 15:46:02     -106.995257         0.001087
BFGS:   25 15:46:03     -106.995257         0.000002
BFGS:   26 15:46:03     -106.995257         0.000000
Minimization converged after 26 steps.
Maximum force component: 8.90130187324475e-29 eV/Angstrom
Maximum stress component: 4.6666783976739685e-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 2.52609166e-34 5.00000000e-01]
 [7.50000000e-01 7.83088414e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 5.05218332e-34]
 [0.00000000e+00 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 4.54696499e-33 7.50000000e-01]
 [5.00000000e-01 3.78913749e-33 2.50000000e-01]]
cellpar =  Cell([[6.09931927698993, -1.0908077169599392e-32, -1.0501918700068975e-31], [-4.356137562297276e-33, 6.09931927698993, 2.2463763277687596e-17], [1.0534610318260783e-31, 2.246376327768727e-17, 6.09931927698993]])
forces =  [[ 7.21727179e-30 -1.29074334e-62 -1.24268296e-61]
 [-8.82110996e-30  1.57757520e-62  1.51883473e-61]
 [-5.32639926e-62  7.45784752e-29  2.74672162e-46]
 [ 4.61048538e-62 -6.45544866e-29 -2.37753861e-46]
 [-1.05956863e-60 -2.25940004e-46 -6.13468102e-29]
 [ 1.44045932e-60  3.07160267e-46  8.33995851e-29]
 [ 6.35731525e-62 -8.90130187e-29 -3.27834516e-46]
 [-5.78458414e-62  8.09938279e-29  2.98299875e-46]
 [-1.92460581e-29  3.44198225e-62  3.31382124e-61]
 [-9.62302905e-30  1.72099113e-62  1.65691062e-61]
 [-1.31580419e-60 -2.80579090e-46 -7.61823133e-29]
 [ 1.31580419e-60  2.80579090e-46  7.61823133e-29]]
stress =  [-4.66667840e-12 -4.66667840e-12 -4.66667840e-12  1.99387422e-29
 -4.41770245e-34  1.52128026e-51]
energy per atom =  -8.916271429580087
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0