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_KimLee_2008_TiN__MO_070542625990_001
==== 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 15:54:27      -38.341737         1.893794
BFGS:    1 15:54:27      -38.469398         1.752547
BFGS:    2 15:54:27      -38.666428         1.474605
BFGS:    3 15:54:27      -38.816680         1.175348
BFGS:    4 15:54:27      -38.923108         0.856156
BFGS:    5 15:54:27      -38.989405         0.516352
BFGS:    6 15:54:27      -39.020157         0.440032
BFGS:    7 15:54:27      -39.027054         0.440868
BFGS:    8 15:54:27      -39.034032         0.332052
BFGS:    9 15:54:27      -39.037381         0.208090
BFGS:   10 15:54:27      -39.039788         0.132887
BFGS:   11 15:54:27      -39.041510         0.093253
BFGS:   12 15:54:27      -39.042292         0.029995
BFGS:   13 15:54:27      -39.042416         0.008153
BFGS:   14 15:54:27      -39.042422         0.000646
BFGS:   15 15:54:27      -39.042422         0.000054
BFGS:   16 15:54:27      -39.042422         0.000001
BFGS:   17 15:54:27      -39.042422         0.000000
BFGS:   18 15:54:27      -39.042422         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.067983824425198e-11 eV/Angstrom
Maximum stress component: 1.7059561974824228e-11 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]
 [2.99524535e-01 2.99524535e-01 1.20194386e-33]
 [7.00475465e-01 7.00475465e-01 0.00000000e+00]
 [2.00475465e-01 7.99524535e-01 5.00000000e-01]
 [7.99524535e-01 2.00475465e-01 5.00000000e-01]]
cellpar =  Cell([[4.786553300075532, -1.9164974304777394e-35, -1.8303347756040515e-32], [-9.69342507858283e-36, 4.786553300075533, 3.837625129557051e-18], [-5.150547247487062e-33, 2.484731535737384e-18, 3.0444574088336838]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.06798382e-11  8.06798382e-11  6.47226876e-29]
 [-8.06798382e-11 -8.06798382e-11 -6.47133062e-29]
 [-8.06798382e-11  8.06798382e-11  6.46851618e-29]
 [ 8.06798382e-11 -8.06798382e-11 -6.47414506e-29]]
stress =  [ 7.61884123e-13  7.61884123e-13 -1.70595620e-11 -5.45957522e-27
 -1.69167781e-33 -5.46187675e-49]
energy per atom =  -6.507070392575369
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0