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 17:58:58      -27.808708         0.766863
BFGS:    1 17:58:58      -27.858337         0.747912
BFGS:    2 17:58:58      -28.033215         0.621478
BFGS:    3 17:58:58      -28.133460         0.444870
BFGS:    4 17:58:58      -28.174148         0.610773
BFGS:    5 17:58:58      -28.191135         0.547729
BFGS:    6 17:58:59      -28.231841         0.067211
BFGS:    7 17:58:59      -28.232396         0.011000
BFGS:    8 17:58:59      -28.232400         0.008319
BFGS:    9 17:58:59      -28.232402         0.006283
BFGS:   10 17:58:59      -28.232406         0.002981
BFGS:   11 17:58:59      -28.232408         0.001171
BFGS:   12 17:58:59      -28.232408         0.000315
BFGS:   13 17:58:59      -28.232408         0.000052
BFGS:   14 17:58:59      -28.232408         0.000002
BFGS:   15 17:58:59      -28.232408         0.000000
BFGS:   16 17:58:59      -28.232408         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.37572056984515e-10 eV/Angstrom
Maximum stress component: 5.157650637035008e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.16494559e-01 8.16494559e-01 1.14282591e-33]
 [6.83505441e-01 1.83505441e-01 0.00000000e+00]
 [1.83505441e-01 3.16494559e-01 0.00000000e+00]
 [8.16494559e-01 6.83505441e-01 0.00000000e+00]]
cellpar =  Cell([[5.318694346129575, 9.712887226823299e-36, -4.580808195711362e-33], [1.1718824136641746e-36, 5.318694346129575, 1.2229535912286225e-17], [2.183243469947315e-34, 6.200297481853622e-18, 2.6963756104081855]])
forces =  [[ 4.37572057e-10  4.37572057e-10  1.00613099e-27]
 [-4.37572057e-10 -4.37572057e-10 -1.00613099e-27]
 [-4.37572057e-10  4.37572057e-10  1.00613099e-27]
 [ 4.37572057e-10 -4.37572057e-10 -1.00613099e-27]]
stress =  [-2.61158696e-11 -2.61158696e-11 -5.15765064e-11 -1.62856713e-28
 -5.37174086e-35 -3.10647470e-51]
energy per atom =  -7.058102106699482
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0