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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 12:12:08      -72.856372         0.598298
BFGS:    1 12:12:08      -72.868625         0.572165
BFGS:    2 12:12:08      -72.926555         0.413161
BFGS:    3 12:12:08      -72.962262         0.244165
BFGS:    4 12:12:08      -72.976906         0.145482
BFGS:    5 12:12:08      -72.978427         0.121187
BFGS:    6 12:12:08      -72.980455         0.064377
BFGS:    7 12:12:08      -72.981314         0.021830
BFGS:    8 12:12:09      -72.981448         0.012345
BFGS:    9 12:12:09      -72.981458         0.013273
BFGS:   10 12:12:09      -72.981464         0.013857
BFGS:   11 12:12:09      -72.981485         0.014297
BFGS:   12 12:12:09      -72.981518         0.012822
BFGS:   13 12:12:09      -72.981562         0.007907
BFGS:   14 12:12:09      -72.981587         0.004497
BFGS:   15 12:12:09      -72.981592         0.001007
BFGS:   16 12:12:09      -72.981593         0.000077
BFGS:   17 12:12:09      -72.981593         0.000008
BFGS:   18 12:12:09      -72.981593         0.000000
BFGS:   19 12:12:09      -72.981593         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.73891773329735e-10 eV/Angstrom
Maximum stress component: 4.5109329461690597e-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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.79920696e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [5.58809168e-34 0.00000000e+00 7.63656849e-01]
 [5.00000000e-01 5.00000000e-01 2.63656849e-01]
 [0.00000000e+00 5.00000000e-01 1.36568493e-02]
 [5.00000000e-01 0.00000000e+00 5.13656849e-01]
 [5.00000000e-01 0.00000000e+00 9.86343151e-01]
 [1.79458427e-33 5.00000000e-01 4.86343151e-01]
 [5.00000000e-01 5.00000000e-01 7.36343151e-01]
 [1.63750679e-34 0.00000000e+00 2.36343151e-01]]
cellpar =  Cell([[4.152373967262446, -6.989809655818365e-38, -1.0237613496360655e-38], [3.2576681460482313e-38, 4.152373967262446, -1.8632597989480734e-18], [-2.1775501425480312e-38, -3.982827215224512e-18, 8.929950614834908]])
forces =  [[-7.67729411e-32  4.90921357e-50 -1.10070139e-31]
 [-5.11819607e-32  2.55909804e-32 -5.50350697e-32]
 [-8.03077201e-70 -1.02363921e-31  4.59329004e-50]
 [ 5.11819607e-32 -2.55909804e-32  2.75175349e-32]
 [ 1.15557537e-48  2.11359405e-28 -4.73891773e-10]
 [ 1.15557537e-48  2.11372201e-28 -4.73891773e-10]
 [-1.27954902e-32  2.11359405e-28 -4.73891773e-10]
 [-2.55909804e-32  2.11359405e-28 -4.73891773e-10]
 [-1.15557537e-48 -2.11372201e-28  4.73891773e-10]
 [-1.15557537e-48 -2.11346610e-28  4.73891773e-10]
 [-1.15557537e-48 -2.11359405e-28  4.73891773e-10]
 [-1.15557537e-48 -2.11359405e-28  4.73891773e-10]]
stress =  [-4.51093295e-10 -4.51093295e-10 -4.17364036e-11  1.75265120e-26
  1.24653998e-34  2.76787476e-50]
energy per atom =  -6.081799388384944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0