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 16:47:23      -67.901136         1.757229
BFGS:    1 16:47:23      -68.026805         1.578344
BFGS:    2 16:47:23      -68.235261         1.197230
BFGS:    3 16:47:23      -68.385240         0.801251
BFGS:    4 16:47:23      -68.476141         0.417919
BFGS:    5 16:47:23      -68.512494         0.072027
BFGS:    6 16:47:23      -68.513677         0.003989
BFGS:    7 16:47:23      -68.513681         0.000043
BFGS:    8 16:47:23      -68.513681         0.000000
BFGS:    9 16:47:23      -68.513681         0.000000
Minimization converged after 9 steps.
Maximum force component: 6.113128213050716e-32 eV/Angstrom
Maximum stress component: 1.1818947094421337e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W', 'W', 'W', 'W', 'W']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [2.5000000e-01 0.0000000e+00 5.0000000e-01]
 [7.5000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 2.5000000e-01 0.0000000e+00]
 [5.0000000e-01 7.5000000e-01 6.2132299e-34]
 [3.1346516e-38 5.0000000e-01 2.5000000e-01]
 [0.0000000e+00 5.0000000e-01 7.5000000e-01]]
cellpar =  Cell([[4.959558815069353, 6.620036488976639e-33, 8.069198611730398e-33], [-4.4206929800131156e-33, 4.959558815069353, 3.546875031584647e-17], [8.851577811879722e-33, 3.546875031584652e-17, 4.959558815069353]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.03770940e-32  2.71994165e-65  3.31535173e-65]
 [-2.03770940e-32 -2.71994165e-65 -3.31535173e-65]
 [ 5.44892479e-65 -6.11312821e-32 -4.37186101e-49]
 [-5.44892479e-65  6.11312821e-32  4.37186101e-49]
 [ 7.27360801e-65  2.91457401e-49  4.07541881e-32]
 [-7.27360801e-65 -2.91457401e-49 -4.07541881e-32]]
stress =  [ 1.18189471e-14  1.18189471e-14  1.18189471e-14 -3.20077253e-30
 -6.26389376e-35  8.91041256e-51]
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