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 15:20:04       46.635641       437.931695
BFGS:    1 15:20:04      -15.330940       389.110672
BFGS:    2 15:20:04      -70.339952       345.136387
BFGS:    3 15:20:04     -119.067930       305.242559
BFGS:    4 15:20:04     -162.107992       269.268178
BFGS:    5 15:20:04     -200.018674       236.846109
BFGS:    6 15:20:04     -233.301472       207.452018
BFGS:    7 15:20:04     -262.391840       180.872123
BFGS:    8 15:20:04     -287.692386       156.878615
BFGS:    9 15:20:04     -309.572586       135.229109
BFGS:   10 15:20:04     -328.367320       115.704323
BFGS:   11 15:20:04     -344.380165        98.105797
BFGS:   12 15:20:04     -357.886360        82.253848
BFGS:   13 15:20:04     -369.137428        68.059643
BFGS:   14 15:20:04     -378.366684        55.224996
BFGS:   15 15:20:04     -385.790218        43.835634
BFGS:   16 15:20:04     -391.581904        33.551492
BFGS:   17 15:20:04     -395.905396        24.265158
BFGS:   18 15:20:04     -398.910060        15.951311
BFGS:   19 15:20:04     -400.734876         8.519471
BFGS:   20 15:20:04     -401.505883         1.887506
BFGS:   21 15:20:04     -401.548863         0.135664
BFGS:   22 15:20:04     -401.549091         0.002402
BFGS:   23 15:20:04     -401.549091         0.000003
BFGS:   24 15:20:04     -401.549091         0.000000
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