element(s):
['Al', 'N', 'Ti']
AFLOW prototype label:
ABC3_cP5_221_a_b_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1916']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'N', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.1916, 0, 0], [0, 4.1916, 0], [0, 0, 4.1916]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:55:08      -27.030765         0.990273
BFGS:    1 19:55:08      -27.070563         0.884626
BFGS:    2 19:55:08      -27.173633         0.481812
BFGS:    3 19:55:08      -27.212646         0.029770
BFGS:    4 19:55:08      -27.212784         0.001840
BFGS:    5 19:55:08      -27.212784         0.000006
BFGS:    6 19:55:08      -27.212784         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.933981488020149e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'N', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50736475e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.94066848e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.47033424e-36]]
cellpar =  Cell([[4.093308117928854, 2.7245883962925374e-32, 1.4524255605636203e-33], [4.137839714393464e-33, 4.093308117928854, -5.441574506834694e-20], [1.1616849597855719e-32, -5.4415745068356e-20, 4.093308117928854]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [9.93398149e-11 9.93398149e-11 9.93398149e-11 2.45813741e-26
 6.13042156e-35 1.03891629e-50]
energy per atom =  -5.442556890894101
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0