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 13:52:01      -36.935089        0.8315
BFGS:    1 13:52:01      -36.964693        0.7560
BFGS:    2 13:52:01      -37.048506        0.4076
BFGS:    3 13:52:01      -37.071332        0.2358
BFGS:    4 13:52:01      -37.074222        0.1703
BFGS:    5 13:52:01      -37.077902        0.0360
BFGS:    6 13:52:01      -37.077925        0.0339
BFGS:    7 13:52:01      -37.078290        0.0110
BFGS:    8 13:52:01      -37.078318        0.0041
BFGS:    9 13:52:01      -37.078320        0.0004
BFGS:   10 13:52:01      -37.078320        0.0000
BFGS:   11 13:52:01      -37.078320        0.0000
BFGS:   12 13:52:01      -37.078320        0.0000
BFGS:   13 13:52:01      -37.078320        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.919325016783385e-11 eV/Angstrom
Maximum stress component: 2.829883971798423e-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 3.79487301e-33]
 [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([[4.9393406862425415, -1.250604451112161e-35, -1.0139938782184006e-32], [-5.669819760209492e-36, 4.939340686242542, 7.47568884925956e-18], [1.0594141663776712e-32, 4.561816841989429e-18, 3.045050425247015]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91932502e-11 -4.91932502e-11 -7.44539515e-29]
 [ 4.91932502e-11  4.91932502e-11  7.44539515e-29]
 [ 4.91932502e-11 -4.91932502e-11 -7.44539515e-29]
 [-4.91932502e-11  4.91932502e-11  7.44539515e-29]]
stress =  [ 2.46818918e-12  2.46818918e-12 -2.82988397e-12  3.90908325e-28
 -1.63903031e-33 -6.97870368e-50]
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