element(s):
['O', 'Ta']
AFLOW prototype label:
A5B2_oP7_47_afgj_bc
Parameter names:
['a', 'b/a', 'c/a', 'x6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5473', '0.59624578', '0.56713454', '0.67967584']
model name:
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Ta', 'Ta']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.        ]
 [0.         0.5        0.5       ]
 [0.67967584 0.         0.5       ]
 [0.5        0.         0.        ]
 [0.         0.         0.5       ]]
spacegroup =  47
cell =  [[6.5473, 0, 0], [0, 3.9038, 0], [0, 0, 3.7132]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:01:17      -49.676632         0.924408
BFGS:    1 17:01:17      -49.699027         0.822602
BFGS:    2 17:01:17      -49.777242         0.734661
BFGS:    3 17:01:17      -49.839602         0.661860
BFGS:    4 17:01:17      -49.875387         0.529149
BFGS:    5 17:01:17      -49.889872         0.377898
BFGS:    6 17:01:17      -49.895632         0.405080
BFGS:    7 17:01:17      -49.907692         0.354431
BFGS:    8 17:01:17      -49.912776         0.239752
BFGS:    9 17:01:17      -49.916847         0.207985
BFGS:   10 17:01:17      -49.918237         0.113106
BFGS:   11 17:01:17      -49.918668         0.028393
BFGS:   12 17:01:17      -49.918709         0.022628
BFGS:   13 17:01:17      -49.918719         0.018050
BFGS:   14 17:01:17      -49.918734         0.009126
BFGS:   15 17:01:17      -49.918744         0.004755
BFGS:   16 17:01:17      -49.918747         0.001357
BFGS:   17 17:01:17      -49.918747         0.000267
BFGS:   18 17:01:17      -49.918747         0.000023
BFGS:   19 17:01:17      -49.918747         0.000001
BFGS:   20 17:01:17      -49.918747         0.000000
BFGS:   21 17:01:17      -49.918747         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.3841425500492615e-09 eV/Angstrom
Maximum stress component: 1.848467156035639e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [6.73680112e-01 3.64403249e-36 5.00000000e-01]
 [3.26319888e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 2.10055205e-53 5.00000000e-01]]
cellpar =  Cell([[6.269535504897003, 0.0, 0.0], [0.0, 3.9762831560256844, -4.303410612459899e-37], [0.0, 3.369446597973084e-37, 3.7769435284766217]])
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]
 [-2.38414255e-09  0.00000000e+00  0.00000000e+00]
 [ 2.38414255e-09 -4.15316358e-69 -4.65544233e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.84846716e-10 -4.86353690e-11 -4.08167260e-11  4.10367226e-34
  0.00000000e+00  0.00000000e+00]
energy per atom =  -7.131249576165864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0