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_ZopeMishin_2003_TiAl__MO_117656786760_005
==== 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 13:54:33      -75.022197        0.6448
BFGS:    1 13:54:34      -75.039754        0.6258
BFGS:    2 13:54:34      -75.125753        0.5199
BFGS:    3 13:54:34      -75.195448        0.4085
BFGS:    4 13:54:34      -75.248040        0.2919
BFGS:    5 13:54:34      -75.282760        0.1702
BFGS:    6 13:54:35      -75.298859        0.0436
BFGS:    7 13:54:35      -75.299961        0.0011
BFGS:    8 13:54:35      -75.299961        0.0000
BFGS:    9 13:54:35      -75.299961        0.0000
Minimization converged after 9 steps.
Maximum force component: 7.430626490205043e-31 eV/Angstrom
Maximum stress component: 2.1115262607438297e-10 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]
 [5.27893059e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.37741899e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.05578612e-49 0.00000000e+00]
 [7.91839589e-50 5.00000000e-01 2.37741899e-34]
 [0.00000000e+00 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([[6.480742203029784, -6.044614209786398e-33, -6.046668604684147e-33], [2.7602089209659396e-33, 6.480742203029784, 1.993713423961876e-17], [6.688963001963996e-33, 1.9937134239618765e-17, 6.480742203029784]])
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]
 [-2.86241379e-31  3.26182036e-31 -3.32630788e-31]
 [ 1.38960204e-31 -1.80149007e-31  7.43062649e-31]
 [-4.48916348e-31  1.93046511e-31 -1.33135525e-31]
 [ 3.66122694e-31 -8.02973635e-32 -6.65677625e-31]
 [-1.59762630e-31  2.13016840e-31 -5.79139534e-31]
 [ 2.42556285e-31 -1.10252857e-31  3.06211708e-31]
 [ 1.99703288e-31 -2.41724188e-31  1.49569441e-31]
 [-1.54770048e-31  1.79732959e-31  5.40030973e-31]]
stress =  [-2.11152626e-10 -2.11152626e-10 -2.11152626e-10  9.35665376e-27
  1.90551695e-58  1.34565643e-60]
energy per atom =  -4.690939148252226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0