element(s):
['W']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1104']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['W', 'W']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1104, 0, 0], [0, 5.1104, 0], [0, 0, 5.1104]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:27:49       46.635641      437.9317
BFGS:    1 14:27:49      -15.330940      389.1107
BFGS:    2 14:27:49      -70.339952      345.1364
BFGS:    3 14:27:49     -119.067930      305.2426
BFGS:    4 14:27:49     -162.107992      269.2682
BFGS:    5 14:27:49     -200.018674      236.8461
BFGS:    6 14:27:49     -233.301472      207.4520
BFGS:    7 14:27:49     -262.391840      180.8721
BFGS:    8 14:27:49     -287.692386      156.8786
BFGS:    9 14:27:49     -309.572586      135.2291
BFGS:   10 14:27:49     -328.367320      115.7043
BFGS:   11 14:27:49     -344.380165       98.1058
BFGS:   12 14:27:49     -357.886360       82.2538
BFGS:   13 14:27:49     -369.137428       68.0596
BFGS:   14 14:27:49     -378.366684       55.2250
BFGS:   15 14:27:49     -385.790218       43.8356
BFGS:   16 14:27:49     -391.581904       33.5515
BFGS:   17 14:27:49     -395.905396       24.2652
BFGS:   18 14:27:49     -398.910060       15.9513
BFGS:   19 14:27:49     -400.734876        8.5195
BFGS:   20 14:27:49     -401.505883        1.8875
BFGS:   21 14:27:49     -401.548863        0.1357
BFGS:   22 14:27:49     -401.549091        0.0024
BFGS:   23 14:27:49     -401.549091        0.0000
BFGS:   24 14:27:49     -401.549091        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.8172221991244937e-29 eV/Angstrom
Maximum stress component: 3.4298626506963383e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 2.14029113e-33 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 2.14029113e-33]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.759007028670569, -5.861441454615868e-32, 1.4007950663795892e-32], [-4.6515335249914055e-32, 5.759007028670569, 3.857417641058012e-17], [-2.206220110297654e-32, 3.857417641058012e-17, 5.759007028670569]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.89255060e-62  6.05740733e-30  4.05728796e-47]
 [ 4.89255060e-62 -6.05740733e-30 -4.05728796e-47]
 [ 6.96160317e-62 -1.21718639e-46 -1.81722220e-29]
 [-6.96160317e-62  1.21718639e-46  1.81722220e-29]]
stress =  [-3.42986265e-12 -3.42986265e-12 -3.42986265e-12 -8.38730671e-30
  3.96418548e-33  3.92981653e-50]
energy per atom =  -50.193636349496444
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0