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 11:13:34      -27.030765        0.9903
BFGS:    1 11:13:34      -27.070563        0.8846
BFGS:    2 11:13:34      -27.173633        0.4818
BFGS:    3 11:13:34      -27.212646        0.0298
BFGS:    4 11:13:34      -27.212784        0.0018
BFGS:    5 11:13:34      -27.212784        0.0000
BFGS:    6 11:13:34      -27.212784        0.0000
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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.94066848e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.093308117928854, -2.495094143559703e-32, -3.908321937410122e-33], [-3.892610892720973e-33, 4.093308117928854, -5.451781959433635e-20], [5.573229337697911e-33, -5.451781959434139e-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 -1.81942687e-27
 -6.13042156e-35  6.76600904e-52]
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