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:
MEAM_LAMMPS_HuangLiuDuan_2021_HfNbTaTiZr__MO_893505888031_002
==== 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 17:45:11      -27.808708        0.7669
BFGS:    1 17:45:11      -27.858337        0.7479
BFGS:    2 17:45:11      -28.033215        0.6215
BFGS:    3 17:45:11      -28.133460        0.4449
BFGS:    4 17:45:11      -28.174148        0.6108
BFGS:    5 17:45:11      -28.191135        0.5477
BFGS:    6 17:45:11      -28.231841        0.0672
BFGS:    7 17:45:11      -28.232396        0.0110
BFGS:    8 17:45:11      -28.232400        0.0083
BFGS:    9 17:45:11      -28.232402        0.0063
BFGS:   10 17:45:11      -28.232406        0.0030
BFGS:   11 17:45:11      -28.232408        0.0012
BFGS:   12 17:45:11      -28.232408        0.0003
BFGS:   13 17:45:11      -28.232408        0.0001
BFGS:   14 17:45:11      -28.232408        0.0000
BFGS:   15 17:45:11      -28.232408        0.0000
BFGS:   16 17:45:11      -28.232408        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.375718309825722e-10 eV/Angstrom
Maximum stress component: 5.1576328023009636e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.16494559e-01 8.16494559e-01 0.00000000e+00]
 [6.83505441e-01 1.83505441e-01 0.00000000e+00]
 [1.83505441e-01 3.16494559e-01 0.00000000e+00]
 [8.16494559e-01 6.83505441e-01 5.71412955e-34]]
cellpar =  Cell([[5.318694346129575, 9.015501697517383e-36, -7.287324584702736e-32], [3.202580690950039e-36, 5.3186943461295755, 1.2168867538018892e-17], [-2.280834035862451e-32, 6.169471251026852e-18, 2.6963756104081855]])
forces =  [[ 4.37571831e-10  4.37571831e-10  1.00113949e-27]
 [-4.37571831e-10 -4.37571831e-10 -1.00113821e-27]
 [-4.37571831e-10  4.37571831e-10  1.00113873e-27]
 [ 4.37571831e-10 -4.37571831e-10 -1.00113873e-27]]
stress =  [-2.61154895e-11 -2.61154895e-11 -5.15763280e-11  1.44244248e-26
  2.68587042e-35 -3.02343502e-51]
energy per atom =  -7.058102106699481
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0