element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tP6_136_a_f
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:
['5.0427', '0.61086323', '0.29659081']
model name:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.29659081 0.29659081 0.        ]]
spacegroup =  136
cell =  [[5.0427, 0, 0], [0, 5.0427, 0], [0, 0, 3.0804]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:13      -36.935089         0.831521
BFGS:    1 16:23:13      -36.964693         0.755972
BFGS:    2 16:23:13      -37.048506         0.407612
BFGS:    3 16:23:13      -37.071332         0.235802
BFGS:    4 16:23:13      -37.074222         0.170323
BFGS:    5 16:23:13      -37.077902         0.036049
BFGS:    6 16:23:13      -37.077925         0.033923
BFGS:    7 16:23:13      -37.078290         0.011031
BFGS:    8 16:23:13      -37.078318         0.004062
BFGS:    9 16:23:13      -37.078320         0.000372
BFGS:   10 16:23:13      -37.078320         0.000025
BFGS:   11 16:23:13      -37.078320         0.000000
BFGS:   12 16:23:13      -37.078320         0.000000
BFGS:   13 16:23:13      -37.078320         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.919589301904947e-11 eV/Angstrom
Maximum stress component: 2.8312588485231675e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.93500974e-01 2.93500974e-01 1.26495767e-34]
 [7.06499026e-01 7.06499026e-01 5.05983068e-34]
 [2.06499026e-01 7.93500974e-01 5.00000000e-01]
 [7.93500974e-01 2.06499026e-01 5.00000000e-01]]
cellpar =  Cell([[4.93934068624254, 8.494930263686593e-36, -1.0496503159247132e-34], [1.1150364293532524e-35, 4.939340686242539, 5.238865285589749e-18], [8.227808698784047e-51, 3.1997468024192874e-18, 3.045050425247015]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91958930e-11 -4.91958930e-11 -5.21815075e-29]
 [ 4.91958930e-11  4.91958930e-11  5.21791617e-29]
 [ 4.91958930e-11 -4.91958930e-11 -5.21797481e-29]
 [-4.91958930e-11  4.91958930e-11  5.21838533e-29]]
stress =  [ 2.46637493e-12  2.46637493e-12 -2.83125885e-12  1.10016825e-27
  3.07318183e-34 -1.15442586e-49]
energy per atom =  -6.179720061794131
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0