element(s):
['O', 'Ta']
AFLOW prototype label:
AB4_tP5_123_c_abh
Parameter names:
['a', 'c/a', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2903', '2.2636842', '0.71850419']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ta', 'Ta', 'Ta']
representative atom coordinates =  [[0.5        0.5        0.        ]
 [0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.5        0.5        0.71850419]]
spacegroup =  123
cell =  [[3.2903, 0, 0], [0, 3.2903, 0], [0, 0, 7.4482]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:48:01      -31.271036         4.258409
BFGS:    1 17:48:01      -31.589937         1.340640
BFGS:    2 17:48:01      -31.684355         1.655917
BFGS:    3 17:48:01      -31.814485         0.560647
BFGS:    4 17:48:01      -31.859674         0.200874
BFGS:    5 17:48:01      -31.860069         0.054006
BFGS:    6 17:48:01      -31.860099         0.014594
BFGS:    7 17:48:01      -31.860105         0.017039
BFGS:    8 17:48:01      -31.860117         0.014728
BFGS:    9 17:48:01      -31.860120         0.008012
BFGS:   10 17:48:01      -31.860121         0.001259
BFGS:   11 17:48:01      -31.860121         0.000062
BFGS:   12 17:48:01      -31.860121         0.000003
BFGS:   13 17:48:01      -31.860121         0.000000
BFGS:   14 17:48:01      -31.860121         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.7917936578903954e-09 eV/Angstrom
Maximum stress component: 4.769022623546795e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ta', 'Ta', 'Ta', 'Ta']
basis =  [[5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 9.61730156e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.03027330e-01]
 [5.00000000e-01 5.00000000e-01 2.96972670e-01]]
cellpar =  Cell([[3.204108648847763, 3.453649046211503e-36, -5.170595755222065e-32], [2.4542975836953092e-36, 3.2041086488477615, -2.4416198285224477e-17], [-4.824202186985173e-33, -5.4699158686186685e-17, 7.629606885843861]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.23417776e-33 -1.28459723e-26  1.79179366e-09]
 [ 1.13295154e-42  1.28459340e-26 -1.79179366e-09]]
stress =  [ 3.54532340e-11  3.54532340e-11 -4.76902262e-11  1.79023404e-26
  1.93396011e-43 -7.26035495e-59]
energy per atom =  -6.3720241546699
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0