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_001
==== 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 15:08:47      -27.808708         0.766863
BFGS:    1 15:08:48      -27.858337         0.747912
BFGS:    2 15:08:48      -28.033215         0.621478
BFGS:    3 15:08:48      -28.133460         0.444870
BFGS:    4 15:08:49      -28.174148         0.610773
BFGS:    5 15:08:49      -28.191135         0.547729
BFGS:    6 15:08:49      -28.231841         0.067211
BFGS:    7 15:08:50      -28.232396         0.011000
BFGS:    8 15:08:50      -28.232400         0.008319
BFGS:    9 15:08:50      -28.232402         0.006283
BFGS:   10 15:08:51      -28.232406         0.002981
BFGS:   11 15:08:51      -28.232408         0.001171
BFGS:   12 15:08:52      -28.232408         0.000315
BFGS:   13 15:08:52      -28.232408         0.000052
BFGS:   14 15:08:52      -28.232408         0.000002
BFGS:   15 15:08:52      -28.232408         0.000000
BFGS:   16 15:08:53      -28.232408         0.000000
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