element(s):
['Al', 'N']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0676']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'N']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.0676, 0, 0], [0, 4.0676, 0], [0, 0, 4.0676]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:17:47      -45.515479        0.2647
BFGS:    1 14:17:47      -45.518355        0.2424
BFGS:    2 14:17:47      -45.533685        0.0082
BFGS:    3 14:17:47      -45.533703        0.0003
BFGS:    4 14:17:47      -45.533703        0.0000
BFGS:    5 14:17:47      -45.533703        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1324734245185018e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.67242751e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.19426749e-38]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.11656354e-72 5.22633598e-51]
 [8.36213757e-50 5.00000000e-01 0.00000000e+00]
 [4.18106878e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.091225241462372, 3.153991621472371e-33, 2.3273982627102813e-34], [2.534295946013467e-33, 4.091225241462372, -5.5709132546567256e-21], [1.3060848764558094e-33, -5.570913254658113e-21, 4.091225241462372]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.13247342e-12 -2.13247342e-12 -2.13247342e-12  2.44601925e-28
  2.14783284e-34 -9.41210327e-51]
energy per atom =  -5.691712840846318
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0