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_2004NISTretabulation_CuTa__MO_950828638160_000
==== 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 17:44:58      -27.936665        3.4354
BFGS:    1 17:44:58      -28.248179        3.1899
BFGS:    2 17:44:58      -28.523023        2.7255
BFGS:    3 17:44:58      -28.738678        2.0232
BFGS:    4 17:44:58      -28.880512        1.0934
BFGS:    5 17:44:58      -28.941418        0.4816
BFGS:    6 17:44:58      -28.957340        0.5156
BFGS:    7 17:44:58      -29.035508        1.0064
BFGS:    8 17:44:58      -29.087914        1.6061
BFGS:    9 17:44:58      -29.131707        1.4317
BFGS:   10 17:44:58      -29.183574        0.2467
BFGS:   11 17:44:58      -29.184545        0.0722
BFGS:   12 17:44:58      -29.184743        0.0535
BFGS:   13 17:44:58      -29.184926        0.0125
BFGS:   14 17:44:58      -29.184933        0.0028
BFGS:   15 17:44:58      -29.184933        0.0002
BFGS:   16 17:44:58      -29.184933        0.0000
BFGS:   17 17:44:58      -29.184933        0.0000
BFGS:   18 17:44:58      -29.184933        0.0000
Minimization converged after 18 steps.
Maximum force component: 8.460725657842777e-11 eV/Angstrom
Maximum stress component: 6.294336058790995e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.12623541e-01 8.12623541e-01 7.53169931e-34]
 [6.87376459e-01 1.87376459e-01 3.01267973e-34]
 [1.87376459e-01 3.12623541e-01 0.00000000e+00]
 [8.12623541e-01 6.87376459e-01 0.00000000e+00]]
cellpar =  Cell([[5.152532319757786, -1.4221583930202852e-34, 9.488158078271196e-33], [-9.265199145759908e-35, 5.1525323197577855, -2.2688365495426663e-18], [1.1151286867090059e-34, -9.995610375604243e-19, 2.5570988222269846]])
forces =  [[-8.46072566e-11 -8.46072566e-11  3.72554744e-29]
 [ 8.46072566e-11  8.46072566e-11 -3.72554744e-29]
 [ 8.46072566e-11 -8.46072566e-11  3.72554744e-29]
 [-8.46072566e-11  8.46072566e-11 -3.72554744e-29]]
stress =  [-3.61724128e-11 -3.61724128e-11 -6.29433606e-11  3.84354335e-27
  5.84698851e-35  4.82962639e-53]
energy per atom =  -7.296233356950138
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0