element(s):
['Ta']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2656']
model name:
EAM_Dynamo_LiSiegelAdams_2003_Ta__MO_103054252769_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:19:35      -31.662306        1.6831
BFGS:    1 17:19:35      -31.759085        0.9742
BFGS:    2 17:19:35      -31.806049        0.0173
BFGS:    3 17:19:35      -31.806068        0.0036
BFGS:    4 17:19:35      -31.806069        0.0000
BFGS:    5 17:19:35      -31.806069        0.0000
BFGS:    6 17:19:35      -31.806069        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.060863190637502e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.43164897e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.203915343098027, -2.0333161123291924e-32, -6.954319458843568e-34], [-2.922633527532182e-33, 4.203915343098027, 9.519104068631262e-20], [8.096263314271775e-35, 9.51910406863056e-20, 4.203915343098027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.06086319e-14  9.06086319e-14  9.06086319e-14  1.67750973e-30
  8.25945687e-49 -5.49691024e-64]
energy per atom =  -7.951517224042911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0