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:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== 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 11:14:13      -27.030765        0.9903
BFGS:    1 11:14:13      -27.070563        0.8846
BFGS:    2 11:14:13      -27.173633        0.4818
BFGS:    3 11:14:13      -27.212646        0.0298
BFGS:    4 11:14:13      -27.212784        0.0018
BFGS:    5 11:14:13      -27.212784        0.0000
BFGS:    6 11:14:13      -27.212784        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.93383696869854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'N', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.093308117928837, 1.651630783303774e-32, -1.3651228464281667e-32], [-1.8569941467049192e-32, 4.093308117928837, 7.548568630427689e-19], [5.9690415723141716e-33, 7.548568630427575e-19, 4.093308117928837]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.93383697e-11  9.93383697e-11  9.93383697e-11  1.28507495e-26
  1.22608431e-34 -7.29754140e-51]
energy per atom =  -5.442556890894112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0