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 13:16:13      -75.022197         0.644783
BFGS:    1 13:16:13      -75.039754         0.625838
BFGS:    2 13:16:14      -75.125753         0.519875
BFGS:    3 13:16:14      -75.195448         0.408476
BFGS:    4 13:16:14      -75.248040         0.291875
BFGS:    5 13:16:14      -75.282760         0.170183
BFGS:    6 13:16:14      -75.298859         0.043615
BFGS:    7 13:16:14      -75.299961         0.001137
BFGS:    8 13:16:14      -75.299961         0.000009
BFGS:    9 13:16:14      -75.299961         0.000000
Minimization converged after 9 steps.
Maximum force component: 9.35589099655576e-32 eV/Angstrom
Maximum stress component: 2.1115285959371666e-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]
 [4.22314448e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.94354746e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.18870949e-34 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([[6.480742203029783, -1.52479008024984e-32, 1.491353956775548e-32], [-8.859062720790866e-33, 6.480742203029783, 4.9451121277947004e-18], [-9.409487354912677e-33, 4.945112127794736e-18, 6.480742203029783]])
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]
 [ 2.08024258e-32  6.40714714e-32  7.73850239e-32]
 [ 1.87221832e-33  3.40119662e-32  3.92125726e-32]
 [ 2.53789595e-32  7.73850239e-32 -8.32097031e-32]
 [ 4.99258219e-33  2.78752506e-32  1.66419406e-33]
 [ 7.48887328e-33  3.16196872e-32 -4.32690456e-32]
 [ 2.79272566e-32 -4.75335429e-32 -5.65825981e-32]
 [ 4.32690456e-32 -6.05350590e-32  9.35589100e-32]
 [ 1.19093888e-32  1.49777466e-32  3.22437600e-32]]
stress =  [-2.11152860e-10 -2.11152860e-10 -2.11152860e-10  9.87591232e-27
  0.00000000e+00  2.15144467e-59]
energy per atom =  -4.690939148252228
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0