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 13:44:03      -75.964148        1.7379
BFGS:    1 13:44:03      -76.108130        1.5752
BFGS:    2 13:44:03      -76.349049        1.2438
BFGS:    3 13:44:03      -76.528631        1.0900
BFGS:    4 13:44:03      -76.655502        0.9191
BFGS:    5 13:44:03      -76.739031        0.7427
BFGS:    6 13:44:03      -76.802231        0.5610
BFGS:    7 13:44:03      -76.858571        0.5383
BFGS:    8 13:44:03      -76.911372        0.4737
BFGS:    9 13:44:03      -76.956395        0.3011
BFGS:   10 13:44:03      -76.974549        0.1151
BFGS:   11 13:44:03      -76.978685        0.0849
BFGS:   12 13:44:03      -76.979599        0.1264
BFGS:   13 13:44:03      -76.980050        0.1370
BFGS:   14 13:44:03      -76.981613        0.1491
BFGS:   15 13:44:03      -76.983914        0.1362
BFGS:   16 13:44:03      -76.986594        0.0809
BFGS:   17 13:44:03      -76.987813        0.0276
BFGS:   18 13:44:03      -76.988036        0.0056
BFGS:   19 13:44:03      -76.988048        0.0005
BFGS:   20 13:44:03      -76.988049        0.0000
BFGS:   21 13:44:03      -76.988049        0.0000
BFGS:   22 13:44:03      -76.988049        0.0000
BFGS:   23 13:44:03      -76.988049        0.0000
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