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_001
==== 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 16:47:56      -75.964148         1.737871
BFGS:    1 16:47:56      -76.108130         1.575215
BFGS:    2 16:47:56      -76.349049         1.243780
BFGS:    3 16:47:56      -76.528631         1.090032
BFGS:    4 16:47:56      -76.655502         0.919086
BFGS:    5 16:47:56      -76.739031         0.742693
BFGS:    6 16:47:56      -76.802231         0.560974
BFGS:    7 16:47:57      -76.858571         0.538332
BFGS:    8 16:47:57      -76.911372         0.473698
BFGS:    9 16:47:57      -76.956395         0.301110
BFGS:   10 16:47:57      -76.974549         0.115124
BFGS:   11 16:47:57      -76.978685         0.084874
BFGS:   12 16:47:57      -76.979599         0.126383
BFGS:   13 16:47:57      -76.980050         0.137038
BFGS:   14 16:47:57      -76.981613         0.149129
BFGS:   15 16:47:57      -76.983914         0.136237
BFGS:   16 16:47:57      -76.986594         0.080938
BFGS:   17 16:47:58      -76.987813         0.027608
BFGS:   18 16:47:58      -76.988036         0.005555
BFGS:   19 16:47:58      -76.988048         0.000507
BFGS:   20 16:47:58      -76.988049         0.000041
BFGS:   21 16:47:58      -76.988049         0.000001
BFGS:   22 16:47:58      -76.988049         0.000000
BFGS:   23 16:47:58      -76.988049         0.000000
Minimization converged after 23 steps.
Maximum force component: 4.12470587907518e-09 eV/Angstrom
Maximum stress component: 2.9947079437462455e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[7.21807877e-33 3.86749396e-34 9.25280313e-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]
 [0.00000000e+00 0.00000000e+00 7.66912168e-01]
 [5.00000000e-01 5.00000000e-01 2.66912168e-01]
 [2.06918089e-33 5.00000000e-01 1.69121678e-02]
 [5.00000000e-01 0.00000000e+00 5.16912168e-01]
 [5.00000000e-01 0.00000000e+00 9.83087832e-01]
 [2.82040358e-33 5.00000000e-01 4.83087832e-01]
 [5.00000000e-01 5.00000000e-01 7.33087832e-01]
 [0.00000000e+00 1.51081504e-33 2.33087832e-01]]
cellpar =  Cell([[4.079239132149773, -6.808415325204131e-38, 4.0890686236688205e-38], [-2.3542960295150275e-36, 4.079239132149773, 1.1888161544880418e-17], [6.988650579691445e-52, 2.5506817075519537e-17, 8.644262578439227]])
forces =  [[ 1.36035968e-32 -3.53534796e-33 -1.03030948e-50]
 [ 1.72839233e-32 -1.25701261e-32 -2.13097525e-31]
 [ 3.14253152e-33 -6.28506304e-33  8.52390100e-31]
 [ 4.71379728e-33 -1.41413918e-32  2.76360853e-31]
 [-6.28506304e-33  1.21708641e-26  4.12470588e-09]
 [ 9.42759455e-33  1.21708586e-26  4.12470588e-09]
 [ 3.14253152e-33  1.21708555e-26  4.12470588e-09]
 [ 2.35689864e-33  1.21708477e-26  4.12470588e-09]
 [-4.71379728e-33 -1.21708571e-26 -4.12470588e-09]
 [ 3.14253152e-33 -1.21708610e-26 -4.12470588e-09]
 [-3.14253152e-33 -1.21708814e-26 -4.12470588e-09]
 [-3.14253152e-33 -1.21708422e-26 -4.12470588e-09]]
stress =  [-4.48470582e-11 -4.48470582e-11  2.99470794e-10 -8.83403545e-28
  1.12347760e-61  1.97788617e-63]
energy per atom =  -6.415670716767507
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0