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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 12:14:13      -36.935089         0.831521
BFGS:    1 12:14:13      -36.964693         0.755972
BFGS:    2 12:14:13      -37.048506         0.407612
BFGS:    3 12:14:13      -37.071332         0.235802
BFGS:    4 12:14:13      -37.074222         0.170323
BFGS:    5 12:14:13      -37.077902         0.036049
BFGS:    6 12:14:13      -37.077925         0.033923
BFGS:    7 12:14:13      -37.078290         0.011031
BFGS:    8 12:14:13      -37.078318         0.004062
BFGS:    9 12:14:13      -37.078320         0.000372
BFGS:   10 12:14:14      -37.078320         0.000025
BFGS:   11 12:14:14      -37.078320         0.000000
BFGS:   12 12:14:14      -37.078320         0.000000
BFGS:   13 12:14:14      -37.078320         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.919493501800986e-11 eV/Angstrom
Maximum stress component: 2.829944475791704e-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 1.07521402e-32]
 [7.06499026e-01 7.06499026e-01 0.00000000e+00]
 [2.06499026e-01 7.93500974e-01 5.00000000e-01]
 [7.93500974e-01 2.06499026e-01 5.00000000e-01]]
cellpar =  Cell([[4.939340686242528, 2.9263534574074154e-36, 1.6173434009525136e-32], [7.936495737636277e-36, 4.939340686242527, -8.671756453826695e-18], [-4.235977524003234e-32, -5.289464940033834e-18, 3.0450504252470303]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91949350e-11 -4.91949350e-11  8.63315842e-29]
 [ 4.91949350e-11  4.91949350e-11 -8.63878839e-29]
 [ 4.91949350e-11 -4.91949350e-11  8.63644257e-29]
 [-4.91949350e-11  4.91949350e-11 -8.63691173e-29]]
stress =  [ 2.46727523e-12  2.46727523e-12 -2.82994448e-12 -5.73096747e-29
  3.27806061e-33  4.18722221e-49]
energy per atom =  -6.179720061794132
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0