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:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_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 15:02:30      -31.775659         0.287121
BFGS:    1 15:02:30      -31.778157         0.228026
BFGS:    2 15:02:30      -31.782311         0.038690
BFGS:    3 15:02:30      -31.782340         0.037608
BFGS:    4 15:02:30      -31.782424         0.018750
BFGS:    5 15:02:30      -31.782440         0.005350
BFGS:    6 15:02:31      -31.782443         0.001359
BFGS:    7 15:02:31      -31.782443         0.001481
BFGS:    8 15:02:31      -31.782443         0.001621
BFGS:    9 15:02:31      -31.782444         0.001991
BFGS:   10 15:02:31      -31.782446         0.003810
BFGS:   11 15:02:31      -31.782449         0.004978
BFGS:   12 15:02:32      -31.782452         0.003880
BFGS:   13 15:02:32      -31.782454         0.001416
BFGS:   14 15:02:32      -31.782454         0.000166
BFGS:   15 15:02:32      -31.782454         0.000005
BFGS:   16 15:02:32      -31.782454         0.000001
BFGS:   17 15:02:32      -31.782454         0.000000
BFGS:   18 15:02:33      -31.782454         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8780116350924916e-13 eV/Angstrom
Maximum stress component: 1.621376295121008e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[2.90663259e-01 7.90663259e-01 3.51366072e-35]
 [7.09336741e-01 2.09336741e-01 1.75683036e-35]
 [2.09336741e-01 2.90663259e-01 0.00000000e+00]
 [7.90663259e-01 7.09336741e-01 0.00000000e+00]]
cellpar =  Cell([[5.409106854169713, 8.511605565629856e-37, -1.7989917871762548e-32], [-8.421820169236064e-37, 5.409106854169713, 4.338887695863472e-19], [-1.794555140673873e-32, 2.2004516230977674e-19, 2.740631632601385]])
forces =  [[ 1.87801164e-13  1.87801164e-13  1.50664371e-32]
 [-1.87801164e-13 -1.87801164e-13 -1.50664371e-32]
 [-1.87801164e-13  1.87801164e-13  1.50643753e-32]
 [ 1.87801164e-13 -1.87801164e-13 -1.50684990e-32]]
stress =  [ 1.62137630e-11  1.62137630e-11  2.95983186e-12 -3.65195559e-27
  1.11013633e-38 -1.64412908e-56]
energy per atom =  -7.94561342322105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0