element(s):
['O', 'Ta']
AFLOW prototype label:
A2B_tP6_136_f_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0247', '0.57710908', '0.28581305']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ta']
representative atom coordinates =  [[0.28581305 0.28581305 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[5.0247, 0, 0], [0, 5.0247, 0], [0, 0, 2.8998]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:59:38      -45.755144        2.8344
BFGS:    1 16:59:38      -46.247580        1.9762
BFGS:    2 16:59:38      -46.745900        2.4214
BFGS:    3 16:59:38      -47.057739        2.8019
BFGS:    4 16:59:38      -47.285670        3.0207
BFGS:    5 16:59:38      -47.482778        3.1379
BFGS:    6 16:59:38      -47.666053        3.1880
BFGS:    7 16:59:38      -47.841609        3.1902
BFGS:    8 16:59:38      -48.011814        3.1563
BFGS:    9 16:59:38      -48.177552        3.0940
BFGS:   10 16:59:38      -48.339048        3.0087
BFGS:   11 16:59:38      -48.496207        2.9047
BFGS:   12 16:59:38      -48.648770        2.7850
BFGS:   13 16:59:38      -48.796394        2.6522
BFGS:   14 16:59:38      -48.938690        2.5083
BFGS:   15 16:59:38      -49.075240        2.3551
BFGS:   16 16:59:38      -49.205408        2.1776
BFGS:   17 16:59:38      -49.308541        1.5838
BFGS:   18 16:59:38      -49.419541        1.8902
BFGS:   19 16:59:38      -49.558265        1.4864
BFGS:   20 16:59:38      -49.662866        0.8417
BFGS:   21 16:59:38      -49.705365        0.1034
BFGS:   22 16:59:38      -49.705692        0.0161
BFGS:   23 16:59:38      -49.705703        0.0063
BFGS:   24 16:59:38      -49.705704        0.0035
BFGS:   25 16:59:38      -49.705704        0.0032
BFGS:   26 16:59:38      -49.705705        0.0017
BFGS:   27 16:59:38      -49.705705        0.0006
BFGS:   28 16:59:38      -49.705705        0.0001
BFGS:   29 16:59:38      -49.705705        0.0000
BFGS:   30 16:59:38      -49.705705        0.0000
BFGS:   31 16:59:38      -49.705705        0.0000
Minimization converged after 31 steps.
Maximum force component: 3.9489999756005066e-09 eV/Angstrom
Maximum stress component: 6.547488020861632e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Ta', 'Ta']
basis =  [[3.18987214e-01 3.18987214e-01 0.00000000e+00]
 [6.81012786e-01 6.81012786e-01 2.49921597e-33]
 [1.81012786e-01 8.18987214e-01 5.00000000e-01]
 [8.18987214e-01 1.81012786e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.541914255361501, 7.287420582355092e-36, 3.189558260710773e-32], [1.736948394414633e-35, 4.5419142553615, -9.258501321940134e-18], [-7.457173924751286e-33, -6.357331616841846e-18, 3.390700063513976]])
forces =  [[-3.94899998e-09 -3.94899998e-09  8.04987048e-27]
 [ 3.94899998e-09  3.94899998e-09 -8.04991228e-27]
 [ 3.94899998e-09 -3.94899998e-09  8.04982869e-27]
 [-3.94899998e-09  3.94899998e-09 -8.04987048e-27]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.41178715e-10 -4.41178715e-10  6.54748802e-10 -2.69736197e-25
  8.00372490e-34 -3.11622900e-49]
energy per atom =  -8.284284233459308
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0