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_GaoOteroAouadi_2013_AgTaO__MO_112077942578_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 18:58:58      -31.775659         0.287121
BFGS:    1 18:58:58      -31.778157         0.228026
BFGS:    2 18:58:58      -31.782311         0.038690
BFGS:    3 18:58:58      -31.782340         0.037608
BFGS:    4 18:58:58      -31.782424         0.018750
BFGS:    5 18:58:58      -31.782440         0.005350
BFGS:    6 18:58:58      -31.782443         0.001359
BFGS:    7 18:58:58      -31.782443         0.001481
BFGS:    8 18:58:58      -31.782443         0.001621
BFGS:    9 18:58:58      -31.782444         0.001991
BFGS:   10 18:58:58      -31.782446         0.003810
BFGS:   11 18:58:58      -31.782449         0.004978
BFGS:   12 18:58:58      -31.782452         0.003880
BFGS:   13 18:58:58      -31.782454         0.001416
BFGS:   14 18:58:58      -31.782454         0.000166
BFGS:   15 18:58:58      -31.782454         0.000005
BFGS:   16 18:58:58      -31.782454         0.000001
BFGS:   17 18:58:58      -31.782454         0.000000
BFGS:   18 18:58:58      -31.782454         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.889512851738218e-13 eV/Angstrom
Maximum stress component: 1.621311510768529e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[2.90663259e-01 7.90663259e-01 0.00000000e+00]
 [7.09336741e-01 2.09336741e-01 3.29405693e-36]
 [2.09336741e-01 2.90663259e-01 0.00000000e+00]
 [7.90663259e-01 7.09336741e-01 0.00000000e+00]]
cellpar =  Cell([[5.4091068541696705, 1.783198172393208e-37, -1.7973733466216782e-32], [-9.150660040428871e-37, 5.40910685416967, 1.2553586337362831e-19], [2.733608364686318e-32, 6.355828826312165e-20, 2.740631632601366]])
forces =  [[ 1.88951285e-13  1.88951285e-13  4.38548497e-33]
 [-1.88951285e-13 -1.88951285e-13 -4.38548497e-33]
 [-1.88951285e-13  1.88951285e-13  4.38548497e-33]
 [ 1.88951285e-13 -1.88951285e-13 -4.38548497e-33]]
stress =  [ 1.62131151e-11  1.62131151e-11  2.95789687e-12 -9.68084340e-28
  6.34342418e-39  1.78414067e-54]
energy per atom =  -7.945613423221048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0