element(s):
['Al', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4022']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.4022, 0, 0], [0, 4.4022, 0], [0, 0, 4.4022]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:05:07      -45.784827         0.377820
BFGS:    1 20:05:07      -45.790712         0.349024
BFGS:    2 20:05:07      -45.822439         0.070379
BFGS:    3 20:05:07      -45.823711         0.003493
BFGS:    4 20:05:07      -45.823714         0.000033
BFGS:    5 20:05:07      -45.823714         0.000000
BFGS:    6 20:05:07      -45.823714         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.080418145114493e-30 eV/Angstrom
Maximum stress component: 5.674039042144073e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'N', 'N', 'N', 'N']
basis =  [[5.13577226e-34 6.41992321e-34 5.13596992e-34]
 [6.41941746e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.13576482e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.41975988e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.365092375801523, -9.426820626205549e-34, 5.855784142798771e-34], [9.39830911119824e-34, 4.365092375801523, 4.624926928927728e-22], [-6.433627252393007e-33, 4.624926929003028e-22, 4.365092375801523]])
forces =  [[-7.17385567e-32 -7.17385567e-32  1.79346392e-32]
 [-3.58692784e-32  3.58692784e-32 -3.58692784e-32]
 [-3.58692784e-32 -5.38039175e-32 -5.70066257e-54]
 [ 1.79346392e-32 -7.60088342e-54 -7.17385567e-32]
 [ 7.89124124e-31 -1.43477113e-31  1.36303258e-30]
 [ 7.17385567e-32 -3.58692784e-31 -2.08041815e-30]
 [ 7.89124124e-31 -1.07607835e-31 -3.58692784e-31]
 [ 4.66300619e-31 -9.68470516e-31 -6.81516289e-31]]
stress =  [-5.67403904e-15 -5.67403904e-15 -5.67403904e-15  1.25926758e-30
 -8.62526245e-34  9.58033265e-50]
energy per atom =  -5.727964200457863
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0