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_ChenFangLiu_2019_WTa__MO_645806019892_000
==== 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 15:33:10      -31.409570         1.083731
BFGS:    1 15:33:10      -31.458527         1.024939
BFGS:    2 15:33:10      -31.595471         0.771970
BFGS:    3 15:33:10      -31.680977         0.337351
BFGS:    4 15:33:10      -31.694266         0.127553
BFGS:    5 15:33:10      -31.696105         0.011015
BFGS:    6 15:33:10      -31.696120         0.000303
BFGS:    7 15:33:10      -31.696120         0.000001
BFGS:    8 15:33:10      -31.696120         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9224030051079637e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.111490128143072, -5.0001253324317863e-33, -3.409027572734406e-33], [-3.2042757951373383e-32, 4.111490128143072, 8.79689174826777e-19], [-2.0148072035798455e-32, 8.796891748267818e-19, 4.111490128143072]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.92240301e-12  2.92240301e-12  2.92240301e-12 -1.11112477e-27
  7.59540127e-36 -1.56113825e-51]
energy per atom =  -7.924029937458019
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0