element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tI12_141_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2124', '2.1346976', '0.64138343']
model name:
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.76638343]]
spacegroup =  141
cell =  [[4.2124, 0, 0], [0, 4.2124, 0], [0, 0, 8.9922]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:12:12      -75.964148         1.737871
BFGS:    1 12:12:12      -76.108130         1.575215
BFGS:    2 12:12:12      -76.349049         1.243780
BFGS:    3 12:12:12      -76.528631         1.090032
BFGS:    4 12:12:12      -76.655502         0.919086
BFGS:    5 12:12:12      -76.739031         0.742693
BFGS:    6 12:12:12      -76.802231         0.560974
BFGS:    7 12:12:12      -76.858571         0.538332
BFGS:    8 12:12:12      -76.911372         0.473698
BFGS:    9 12:12:13      -76.956395         0.301110
BFGS:   10 12:12:13      -76.974549         0.115124
BFGS:   11 12:12:13      -76.978685         0.084874
BFGS:   12 12:12:13      -76.979599         0.126383
BFGS:   13 12:12:13      -76.980050         0.137038
BFGS:   14 12:12:13      -76.981613         0.149129
BFGS:   15 12:12:13      -76.983914         0.136237
BFGS:   16 12:12:13      -76.986594         0.080938
BFGS:   17 12:12:13      -76.987813         0.027608
BFGS:   18 12:12:13      -76.988036         0.005555
BFGS:   19 12:12:13      -76.988048         0.000507
BFGS:   20 12:12:13      -76.988049         0.000041
BFGS:   21 12:12:13      -76.988049         0.000001
BFGS:   22 12:12:13      -76.988049         0.000000
BFGS:   23 12:12:13      -76.988049         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.1247050120522515e-09 eV/Angstrom
Maximum stress component: 2.9947078202527885e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 4.10356904e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [1.60327429e-32 0.00000000e+00 7.66912168e-01]
 [5.00000000e-01 5.00000000e-01 2.66912168e-01]
 [0.00000000e+00 5.00000000e-01 1.69121678e-02]
 [5.00000000e-01 0.00000000e+00 5.16912168e-01]
 [5.00000000e-01 0.00000000e+00 9.83087832e-01]
 [9.21406209e-34 5.00000000e-01 4.83087832e-01]
 [5.00000000e-01 5.00000000e-01 7.33087832e-01]
 [1.45341476e-32 0.00000000e+00 2.33087832e-01]]
cellpar =  Cell([[4.079239132149772, -1.0937886216400611e-36, -1.0408329630965889e-39], [1.588588923528804e-37, 4.079239132149774, 2.1119884175711497e-17], [1.6731764479025188e-38, 4.531044220462963e-17, 8.644262578439227]])
forces =  [[ 2.04264549e-31  1.00561009e-31  5.20645342e-49]
 [ 1.79124297e-31 -7.54207564e-32 -2.13097525e-31]
 [ 4.71379728e-33 -3.01683026e-31  2.13097525e-31]
 [-1.61840373e-31  3.26823278e-31  3.19646288e-31]
 [-1.22558729e-31  2.16203887e-26  4.12470501e-09]
 [ 8.17058195e-32  2.16204390e-26  4.12470501e-09]
 [-4.02636851e-32  2.16205269e-26  4.12470501e-09]
 [-8.17058195e-32  2.16207281e-26  4.12470501e-09]
 [-6.28506304e-33 -2.16203761e-26 -4.12470501e-09]
 [-1.86980625e-31 -2.16203887e-26 -4.12470501e-09]
 [-4.08529097e-32 -2.16204767e-26 -4.12470501e-09]
 [ 3.05435733e-32 -2.16205772e-26 -4.12470501e-09]]
stress =  [-4.48470192e-11 -4.48470192e-11  2.99470782e-10 -6.71142456e-27
  2.18470781e-35 -4.90889550e-52]
energy per atom =  -6.415670716767508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0