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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 12:10:58      -72.856372         0.598298
BFGS:    1 12:10:58      -72.868625         0.572165
BFGS:    2 12:10:58      -72.926555         0.413161
BFGS:    3 12:10:58      -72.962262         0.244165
BFGS:    4 12:10:58      -72.976906         0.145482
BFGS:    5 12:10:58      -72.978427         0.121187
BFGS:    6 12:10:58      -72.980455         0.064377
BFGS:    7 12:10:58      -72.981314         0.021830
BFGS:    8 12:10:59      -72.981448         0.012345
BFGS:    9 12:10:59      -72.981458         0.013273
BFGS:   10 12:10:59      -72.981464         0.013857
BFGS:   11 12:10:59      -72.981485         0.014297
BFGS:   12 12:10:59      -72.981518         0.012822
BFGS:   13 12:10:59      -72.981562         0.007907
BFGS:   14 12:10:59      -72.981587         0.004497
BFGS:   15 12:10:59      -72.981592         0.001007
BFGS:   16 12:10:59      -72.981593         0.000077
BFGS:   17 12:10:59      -72.981593         0.000008
BFGS:   18 12:10:59      -72.981593         0.000000
BFGS:   19 12:10:59      -72.981593         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.73891718563973e-10 eV/Angstrom
Maximum stress component: 4.510929317873621e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.28791842e-33 1.86909977e-32 7.13927004e-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]
 [3.85054508e-33 9.27628369e-34 7.63656849e-01]
 [5.00000000e-01 5.00000000e-01 2.63656849e-01]
 [9.16739532e-33 5.00000000e-01 1.36568493e-02]
 [5.00000000e-01 0.00000000e+00 5.13656849e-01]
 [5.00000000e-01 0.00000000e+00 9.86343151e-01]
 [1.21129575e-32 5.00000000e-01 4.86343151e-01]
 [5.00000000e-01 5.00000000e-01 7.36343151e-01]
 [0.00000000e+00 7.09635702e-33 2.36343151e-01]]
cellpar =  Cell([[4.152373967262443, 2.133499729426294e-37, 8.156337056992965e-39], [2.414262272079608e-37, 4.152373967262446, -2.5463220885383523e-18], [-1.3248430959084267e-37, -5.497525041659602e-18, 8.929950614834857]])
forces =  [[ 5.11819607e-32 -6.14183529e-31  5.50350697e-32]
 [ 1.02363921e-31 -3.07091764e-31  1.67684978e-31]
 [-4.09455686e-31 -2.10379316e-68 -8.04276929e-70]
 [-1.02363921e-31  4.09455686e-31  5.50350697e-32]
 [-3.07091764e-31  2.91382599e-28 -4.73891719e-10]
 [ 3.07091764e-31  2.91331417e-28 -4.73891719e-10]
 [-7.67729411e-32  2.90307778e-28 -4.73891719e-10]
 [-2.30318823e-31  2.93378696e-28 -4.73891719e-10]
 [ 7.16547450e-31 -2.91945601e-28  4.73891719e-10]
 [-1.02363921e-31 -2.91689691e-28  4.73891719e-10]
 [ 1.02363921e-31 -2.90307778e-28  4.73891719e-10]
 [-1.02363921e-31 -2.92764512e-28  4.73891719e-10]]
stress =  [-4.51092932e-10 -4.51092932e-10 -4.17360608e-11  5.96166282e-26
 -4.15513325e-35  6.00227592e-51]
energy per atom =  -6.0817993883849395
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0