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_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_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 18:10:26      -16.133117        0.9719
BFGS:    1 18:10:26      -16.165126        0.5602
BFGS:    2 18:10:26      -16.179898        0.0485
BFGS:    3 18:10:26      -16.180003        0.0021
BFGS:    4 18:10:26      -16.180003        0.0000
BFGS:    5 18:10:26      -16.180003        0.0000
BFGS:    6 18:10:26      -16.180003        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.551764765012435e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.302531116312345, 1.5020627270931024e-32, -2.682291685473647e-33], [2.9861784610441137e-32, 3.302531116312345, 7.098205415036501e-18], [6.664739997696164e-33, 7.098205415036498e-18, 3.302531116312345]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.55176477e-15  9.55176477e-15  9.55176477e-15 -1.83319408e-31
  2.94303481e-35  1.93064944e-52]
energy per atom =  -8.09000223647001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0