element(s):
['Ta']
AFLOW prototype label:
A_tP4_127_g
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3819', '0.50872368', '0.28968096']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_Ta__MO_130046220009_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0.28968096 0.78968096 0.        ]]
spacegroup =  127
cell =  [[5.3819, 0, 0], [0, 5.3819, 0], [0, 0, 2.7379]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:58:47      -27.936662         3.435368
BFGS:    1 17:58:47      -28.248179         3.189103
BFGS:    2 17:58:47      -28.523022         2.725066
BFGS:    3 17:58:47      -28.738693         2.023374
BFGS:    4 17:58:47      -28.880516         1.093984
BFGS:    5 17:58:47      -28.941417         0.481540
BFGS:    6 17:58:47      -28.957340         0.515607
BFGS:    7 17:58:47      -29.035468         1.006390
BFGS:    8 17:58:47      -29.087830         1.607357
BFGS:    9 17:58:47      -29.131696         1.431359
BFGS:   10 17:58:47      -29.183622         0.242180
BFGS:   11 17:58:47      -29.184550         0.071045
BFGS:   12 17:58:47      -29.184745         0.053177
BFGS:   13 17:58:47      -29.184925         0.012498
BFGS:   14 17:58:47      -29.184933         0.002952
BFGS:   15 17:58:47      -29.184933         0.000178
BFGS:   16 17:58:47      -29.184933         0.000004
BFGS:   17 17:58:47      -29.184933         0.000000
BFGS:   18 17:58:47      -29.184933         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.3276180737078738e-10 eV/Angstrom
Maximum stress component: 5.277751462551332e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.12627176e-01 8.12627176e-01 2.41014829e-33]
 [6.87372824e-01 1.87372824e-01 3.01268537e-34]
 [1.87372824e-01 3.12627176e-01 1.20507415e-33]
 [8.12627176e-01 6.87372824e-01 0.00000000e+00]]
cellpar =  Cell([[5.152515095708367, -4.952961150895967e-35, 3.8713222667249837e-35], [1.390629796330023e-35, 5.152515095708367, -1.3931534415923602e-17], [1.9056233272221333e-32, -6.801443556891156e-18, 2.5570940353787175]])
forces =  [[-2.32761807e-10 -2.32761807e-10  6.29348788e-28]
 [ 2.32761807e-10  2.32761807e-10 -6.29348788e-28]
 [ 2.32761807e-10 -2.32761807e-10  6.29348788e-28]
 [-2.32761807e-10  2.32761807e-10 -6.29348788e-28]]
stress =  [-2.67300806e-11 -2.67300806e-11 -5.27775146e-11 -8.59129643e-27
  2.92350951e-35  4.80826256e-51]
energy per atom =  -7.296233970865404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0