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_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 16:48:00      -72.856372         0.598298
BFGS:    1 16:48:00      -72.868625         0.572165
BFGS:    2 16:48:00      -72.926555         0.413161
BFGS:    3 16:48:01      -72.962262         0.244165
BFGS:    4 16:48:01      -72.976906         0.145482
BFGS:    5 16:48:01      -72.978427         0.121187
BFGS:    6 16:48:02      -72.980455         0.064377
BFGS:    7 16:48:02      -72.981314         0.021830
BFGS:    8 16:48:02      -72.981448         0.012345
BFGS:    9 16:48:02      -72.981458         0.013273
BFGS:   10 16:48:02      -72.981464         0.013857
BFGS:   11 16:48:03      -72.981485         0.014297
BFGS:   12 16:48:03      -72.981518         0.012822
BFGS:   13 16:48:03      -72.981562         0.007907
BFGS:   14 16:48:03      -72.981587         0.004497
BFGS:   15 16:48:04      -72.981592         0.001007
BFGS:   16 16:48:04      -72.981593         0.000077
BFGS:   17 16:48:04      -72.981593         0.000008
BFGS:   18 16:48:05      -72.981593         0.000000
BFGS:   19 16:48:05      -72.981593         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.738902312418803e-10 eV/Angstrom
Maximum stress component: 4.5109263863732997e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[1.77721742e-33 2.48852154e-35 0.00000000e+00]
 [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]
 [1.26834415e-33 0.00000000e+00 7.63656849e-01]
 [5.00000000e-01 5.00000000e-01 2.63656849e-01]
 [5.37277050e-34 5.00000000e-01 1.36568493e-02]
 [5.00000000e-01 0.00000000e+00 5.13656849e-01]
 [5.00000000e-01 0.00000000e+00 9.86343151e-01]
 [2.74619972e-33 5.00000000e-01 4.86343151e-01]
 [5.00000000e-01 5.00000000e-01 7.36343151e-01]
 [0.00000000e+00 0.00000000e+00 2.36343151e-01]]
cellpar =  Cell([[4.152373967262446, -3.5077484535817163e-38, -2.0804428324481266e-38], [7.963910130702897e-39, 4.152373967262446, 7.450546433446427e-19], [1.8504754381060058e-53, 1.6081658623884034e-18, 8.929950614834913]])
forces =  [[ 7.67729411e-32  2.55909804e-32 -2.20140279e-31]
 [-2.55909804e-32 -1.02363921e-31 -6.19144534e-32]
 [ 4.90813856e-71  2.55909804e-32  5.50350697e-32]
 [-9.81627712e-71 -5.11819607e-32 -9.18350751e-51]
 [ 2.55909804e-32 -8.53413558e-29 -4.73890231e-10]
 [ 5.11819607e-32 -8.53413558e-29 -4.73890231e-10]
 [-9.82001016e-64 -8.52389918e-29 -4.73890231e-10]
 [-1.27954902e-32 -8.53413558e-29 -4.73890231e-10]
 [ 1.02363921e-31  8.53541513e-29  4.73890231e-10]
 [ 5.11819607e-32  8.53541513e-29  4.73890231e-10]
 [ 9.82000918e-64  8.51878099e-29  4.73890231e-10]
 [-1.27954902e-32  8.52901738e-29  4.73890231e-10]]
stress =  [-4.51092639e-10 -4.51092639e-10 -4.17352845e-11 -5.92001851e-26
  4.15513325e-35 -1.06154005e-50]
energy per atom =  -6.0817993883849475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0