element(s):
['Al', 'N']
AFLOW prototype label:
AB_oC8_63_c_c
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3189', '1.7255416', '1.2628883', '0.3335729', '0.667681']
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.        0.3335729 0.25     ]
 [0.        0.667681  0.25     ]]
spacegroup =  63
cell =  [[3.3189, 0, 0], [0, 5.7269, 0], [0, 0, 4.1914]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:14:59      -45.726542        0.9386
BFGS:    1 16:14:59      -45.740730        0.9154
BFGS:    2 16:14:59      -45.790094        0.8194
BFGS:    3 16:14:59      -45.833526        0.7077
BFGS:    4 16:14:59      -45.870364        0.5788
BFGS:    5 16:14:59      -45.899851        0.4313
BFGS:    6 16:14:59      -45.921208        0.2667
BFGS:    7 16:14:59      -45.933746        0.1205
BFGS:    8 16:14:59      -45.937149        0.0974
BFGS:    9 16:14:59      -45.937667        0.0898
BFGS:   10 16:14:59      -45.939546        0.0314
BFGS:   11 16:14:59      -45.939626        0.0256
BFGS:   12 16:14:59      -45.939887        0.0072
BFGS:   13 16:14:59      -45.939895        0.0023
BFGS:   14 16:14:59      -45.939896        0.0006
BFGS:   15 16:14:59      -45.939896        0.0002
BFGS:   16 16:14:59      -45.939896        0.0003
BFGS:   17 16:15:00      -45.939896        0.0003
BFGS:   18 16:15:00      -45.939896        0.0004
BFGS:   19 16:15:00      -45.939896        0.0006
BFGS:   20 16:15:00      -45.939896        0.0009
BFGS:   21 16:15:00      -45.939896        0.0016
BFGS:   22 16:15:00      -45.939897        0.0031
BFGS:   23 16:15:00      -45.939899        0.0065
BFGS:   24 16:15:00      -45.939909        0.0214
BFGS:   25 16:15:00      -45.939919        0.0209
BFGS:   26 16:15:00      -45.939942        0.0192
BFGS:   27 16:15:00      -45.939957        0.0132
BFGS:   28 16:15:00      -45.939992        0.0020
BFGS:   29 16:15:00      -45.939993        0.0007
BFGS:   30 16:15:00      -45.939993        0.0002
BFGS:   31 16:15:00      -45.939993        0.0000
BFGS:   32 16:15:00      -45.939993        0.0000
BFGS:   33 16:15:00      -45.939993        0.0000
BFGS:   34 16:15:00      -45.939993        0.0000
Minimization converged after 34 steps.
Maximum force component: 8.658437356846847e-12 eV/Angstrom
Maximum stress component: 5.300527963372406e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'N', 'N', 'N', 'N']
basis =  [[5.97151130e-36 3.30794727e-01 2.50000000e-01]
 [5.27558812e-36 6.69205273e-01 7.50000000e-01]
 [5.00000000e-01 8.30794727e-01 2.50000000e-01]
 [5.00000000e-01 1.69205273e-01 7.50000000e-01]
 [0.00000000e+00 6.69267075e-01 2.50000000e-01]
 [1.45835844e-37 3.30732925e-01 7.50000000e-01]
 [5.00000000e-01 1.69267075e-01 2.50000000e-01]
 [5.00000000e-01 8.30732925e-01 7.50000000e-01]]
cellpar =  Cell([[3.40718170481626, -4.249722659979301e-37, 0.0], [-1.0148915095428303e-37, 5.7407504431113585, 0.0], [0.0, 0.0, 4.009680787399904]])
forces =  [[-4.38015106e-50  2.47763962e-12  0.00000000e+00]
 [ 8.39935139e-32 -2.47763962e-12  0.00000000e+00]
 [-4.38015106e-50  2.47763962e-12  1.97692526e-31]
 [ 4.19967569e-32 -2.47763962e-12 -1.97692526e-31]
 [-8.39935139e-32 -8.65843736e-12 -1.97692526e-31]
 [ 8.39935139e-32  8.65843736e-12  1.97692526e-31]
 [-1.67987028e-31 -8.65843736e-12  1.97692526e-31]
 [ 1.67987028e-31  8.65843736e-12 -1.97692526e-31]]
stress =  [-5.30052796e-13  1.87288564e-13 -1.21680397e-14  0.00000000e+00
  0.00000000e+00 -1.87702489e-50]
energy per atom =  -5.7424990885422895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0