element(s):
['Ta']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3551']
model name:
EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3551, 0, 0], [0, 3.3551, 0], [0, 0, 3.3551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:10:53      -16.154896         0.954087
BFGS:    1 16:10:53      -16.185760         0.549378
BFGS:    2 16:10:53      -16.199740         0.054618
BFGS:    3 16:10:53      -16.199872         0.002147
BFGS:    4 16:10:53      -16.199872         0.000008
BFGS:    5 16:10:53      -16.199872         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.833468493198151e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3038975084401705, 9.658365117741142e-33, -1.9573472062738094e-33], [6.575323491145778e-33, 3.3038975084401705, -6.929535151456614e-18], [-5.63206997485593e-33, -6.92953515145661e-18, 3.3038975084401705]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.83346849e-11 -5.83346849e-11 -5.83346849e-11  8.83094902e-28
  4.70496162e-35 -1.53013278e-51]
energy per atom =  -8.099935976417411
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0