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:
EAM_Dynamo_SetyawanGaoKurtz_2018_ReW__MO_680820064987_000
==== 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 16:47:24      -67.654027         1.670270
BFGS:    1 16:47:24      -67.767171         1.489144
BFGS:    2 16:47:24      -67.960500         1.085660
BFGS:    3 16:47:24      -68.092427         0.673155
BFGS:    4 16:47:24      -68.163383         0.282902
BFGS:    5 16:47:24      -68.180488         0.036176
BFGS:    6 16:47:24      -68.180794         0.002265
BFGS:    7 16:47:24      -68.180795         0.000021
BFGS:    8 16:47:24      -68.180795         0.000000
BFGS:    9 16:47:24      -68.180795         0.000000
Minimization converged after 9 steps.
Maximum force component: 8.172204319925775e-32 eV/Angstrom
Maximum stress component: 3.960999652552056e-15 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 0.00000000e+00 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 0.00000000e+00]
 [1.00308851e-36 5.00000000e-01 2.50000000e-01]
 [3.04061205e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.972559861443987, -2.359890499104236e-32, -4.835569712198571e-33], [-3.299306475583883e-32, 4.972559861443987, -1.5054987802584608e-17], [1.1600551122551758e-32, -1.5054987802584623e-17, 4.972559861443987]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.08610216e-32  6.12915324e-32 -4.08610216e-32]
 [ 4.08610216e-32  2.04305108e-32 -6.18556839e-50]
 [-4.08610216e-32 -4.08610216e-32  2.04305108e-32]
 [-8.78943629e-65  2.04305108e-32  2.04305108e-32]
 [ 8.17220432e-32 -4.08610216e-32  1.23711368e-49]
 [ 4.08610216e-32  4.08610216e-32 -1.23711368e-49]]
stress =  [ 3.96099965e-15  3.96099965e-15  3.96099965e-15 -1.86060306e-31
 -2.07706065e-35  8.75428182e-52]
energy per atom =  -8.522599343410636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0