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_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_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 10:47:06      -67.901136         1.757229
BFGS:    1 10:47:06      -68.026805         1.578344
BFGS:    2 10:47:06      -68.235261         1.197230
BFGS:    3 10:47:06      -68.385240         0.801251
BFGS:    4 10:47:07      -68.476141         0.417919
BFGS:    5 10:47:07      -68.512494         0.072027
BFGS:    6 10:47:07      -68.513677         0.003989
BFGS:    7 10:47:07      -68.513681         0.000043
BFGS:    8 10:47:07      -68.513681         0.000000
BFGS:    9 10:47:07      -68.513681         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.0377094043502387e-32 eV/Angstrom
Maximum stress component: 1.1818947094421342e-14 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 4.85408586e-35 5.00000000e-01]
 [7.50000000e-01 5.33949444e-35 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 2.42704293e-35]
 [7.82897605e-39 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.959558815069353, -9.719301789229382e-33, -2.0577182096091505e-33], [-7.171900561135761e-33, 4.959558815069353, 2.7361709529685273e-19], [2.0844166264450876e-33, 2.736170952968371e-19, 4.959558815069353]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.03770940e-32 -3.99332146e-65 -8.45444505e-66]
 [-2.03770940e-32  3.99332146e-65  8.45444505e-66]
 [-2.94668332e-65  2.03770940e-32  1.12419703e-51]
 [ 2.94668332e-65 -2.03770940e-32 -1.12419703e-51]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.18189471e-14  1.18189471e-14  1.18189471e-14 -4.16606759e-33
  6.26389376e-35 -4.20106228e-53]
energy per atom =  -8.564210101312433
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0