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_ChenFangLiu_2019_WTa__MO_645806019892_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 14:27:06      -69.800418        0.7734
BFGS:    1 14:27:06      -69.824156        0.6588
BFGS:    2 14:27:06      -69.882894        0.1183
BFGS:    3 14:27:06      -69.884759        0.0050
BFGS:    4 14:27:06      -69.884762        0.0000
BFGS:    5 14:27:06      -69.884762        0.0000
BFGS:    6 14:27:06      -69.884762        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.694771389587597e-31 eV/Angstrom
Maximum stress component: 9.762287671009331e-16 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 4.66905045e-36 5.00000000e-01]
 [7.50000000e-01 4.66905045e-36 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 4.66905045e-36]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.01544256e-37 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.156107126224835, 1.1561651267647428e-32, 2.9004950250462023e-33], [1.594463393436431e-32, 5.156107126224835, 3.6313459793145784e-19], [-6.948443266984743e-33, 3.6313459793146304e-19, 5.156107126224835]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.69477139e-31  3.80022279e-64  9.53369638e-65]
 [-1.69477139e-31 -3.80022279e-64 -9.53369638e-65]
 [-5.24087432e-64 -1.69477139e-31 -1.19359453e-50]
 [ 5.24087432e-64  1.69477139e-31  1.19359453e-50]
 [ 1.14194901e-64 -5.96797266e-51 -8.47385695e-32]
 [-1.14194901e-64  5.96797266e-51  8.47385695e-32]]
stress =  [ 9.76228767e-16  9.76228767e-16  9.76228767e-16  1.46681940e-32
 -3.09090272e-34  2.50271589e-51]
energy per atom =  -8.735595254973727
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0