element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5945']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.5945, 0, 0], [0, 6.5945, 0], [0, 0, 6.5945]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:40:57      -73.066014        0.6586
BFGS:    1 09:40:57      -73.084244        0.6331
BFGS:    2 09:40:57      -73.169026        0.4972
BFGS:    3 09:40:57      -73.233337        0.3601
BFGS:    4 09:40:57      -73.276992        0.2218
BFGS:    5 09:40:57      -73.299804        0.0822
BFGS:    6 09:40:57      -73.303408        0.0006
BFGS:    7 09:40:57      -73.303409        0.0000
BFGS:    8 09:40:57      -73.303409        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.4304390304970442e-31 eV/Angstrom
Maximum stress component: 2.460218367391211e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.63320519e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.05328207e-49 0.00000000e+00 5.00000000e-01]
 [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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.496149344934759, 1.739049442061567e-33, -5.3004838694405625e-33], [-1.1400271239407287e-32, 6.496149344934759, 1.419925491792454e-19], [9.57148747999651e-33, 1.41992549179238e-19, 6.496149344934759]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.67260189e-33 -2.00178057e-32  1.33869075e-31]
 [-1.43877978e-32  1.14893864e-31  4.50400628e-32]
 [-4.17037618e-34 -1.67726857e-51 -7.67349218e-32]
 [-1.78722817e-64  1.18647202e-31  2.00178057e-32]
 [-5.33808151e-32  1.33452038e-32  5.33808151e-32]
 [-9.02886443e-32 -3.37800471e-32 -5.00445142e-33]
 [-5.83852666e-32 -4.48315440e-33  1.43043903e-31]
 [-7.12873679e-32 -1.00089028e-32 -1.32253055e-31]]
stress =  [-2.46021837e-12 -2.46021837e-12 -2.46021837e-12  2.55773278e-28
  8.51913022e-35 -1.16062437e-50]
energy per atom =  -4.581463035653864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0