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 09:57:45      -27.936662         3.435368
BFGS:    1 09:57:45      -28.248179         3.189103
BFGS:    2 09:57:45      -28.523022         2.725066
BFGS:    3 09:57:45      -28.738693         2.023374
BFGS:    4 09:57:45      -28.880516         1.093984
BFGS:    5 09:57:45      -28.941417         0.481540
BFGS:    6 09:57:45      -28.957340         0.515607
BFGS:    7 09:57:45      -29.035468         1.006390
BFGS:    8 09:57:46      -29.087830         1.607357
BFGS:    9 09:57:46      -29.131696         1.431359
BFGS:   10 09:57:46      -29.183622         0.242180
BFGS:   11 09:57:46      -29.184550         0.071045
BFGS:   12 09:57:46      -29.184745         0.053177
BFGS:   13 09:57:46      -29.184925         0.012498
BFGS:   14 09:57:46      -29.184933         0.002952
BFGS:   15 09:57:46      -29.184933         0.000178
BFGS:   16 09:57:46      -29.184933         0.000004
BFGS:   17 09:57:46      -29.184933         0.000000
BFGS:   18 09:57:46      -29.184933         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.3276105289750877e-10 eV/Angstrom
Maximum stress component: 5.277967772681114e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.31262718 0.81262718 0.        ]
 [0.68737282 0.18737282 0.        ]
 [0.18737282 0.31262718 0.        ]
 [0.81262718 0.68737282 0.        ]]
cellpar =  Cell([[5.152515095708365, -1.920321134918166e-36, 1.9997251082770102e-32], [6.781134794458589e-36, 5.152515095708366, 6.907662693339797e-18], [1.910637717154898e-32, 3.4426306745290675e-18, 2.5570940353787166]])
forces =  [[-2.32761053e-10 -2.32761053e-10 -3.12048546e-28]
 [ 2.32761053e-10  2.32761053e-10  3.12048053e-28]
 [ 2.32761053e-10 -2.32761053e-10 -3.12048053e-28]
 [-2.32761053e-10  2.32761053e-10  3.12048546e-28]]
stress =  [-2.67323225e-11 -2.67323225e-11 -5.27796777e-11 -1.17681312e-26
 -5.84701899e-35 -3.17331699e-51]
energy per atom =  -7.296233970865406
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0