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:
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
==== 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 20:57:55      -31.271036         4.258409
BFGS:    1 20:57:56      -31.589937         1.340640
BFGS:    2 20:57:56      -31.684355         1.655918
BFGS:    3 20:57:56      -31.814485         0.560647
BFGS:    4 20:57:56      -31.859674         0.200874
BFGS:    5 20:57:56      -31.860069         0.054006
BFGS:    6 20:57:56      -31.860099         0.014594
BFGS:    7 20:57:56      -31.860105         0.017039
BFGS:    8 20:57:56      -31.860117         0.014728
BFGS:    9 20:57:56      -31.860120         0.008012
BFGS:   10 20:57:56      -31.860121         0.001259
BFGS:   11 20:57:56      -31.860121         0.000062
BFGS:   12 20:57:57      -31.860121         0.000003
BFGS:   13 20:57:57      -31.860121         0.000000
BFGS:   14 20:57:57      -31.860121         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.7917789474353204e-09 eV/Angstrom
Maximum stress component: 4.769030919688978e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ta', 'Ta', 'Ta', 'Ta']
basis =  [[5.00000000e-01 5.00000000e-01 1.26214232e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.03027330e-01]
 [5.00000000e-01 5.00000000e-01 2.96972670e-01]]
cellpar =  Cell([[3.2041086488477646, 5.8000532164099026e-36, 2.616896750722043e-32], [-2.0952875213154902e-35, 3.204108648847764, 1.7011429874463936e-18], [1.5481171560723836e-32, 4.144698711075286e-18, 7.62960688584386]])
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]
 [ 3.63568369e-42  9.73363897e-28  1.79177895e-09]
 [-3.63568369e-42 -9.73362663e-28 -1.79177895e-09]]
stress =  [ 3.54544205e-11  3.54544205e-11 -4.76903092e-11  3.80879235e-26
  1.00841909e-33 -7.57096918e-49]
energy per atom =  -6.372024154669903
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0