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 11:09:54      -75.022197         0.644783
BFGS:    1 11:09:55      -75.039754         0.625838
BFGS:    2 11:09:55      -75.125753         0.519875
BFGS:    3 11:09:55      -75.195448         0.408476
BFGS:    4 11:09:56      -75.248040         0.291875
BFGS:    5 11:09:56      -75.282760         0.170183
BFGS:    6 11:09:56      -75.298859         0.043615
BFGS:    7 11:09:57      -75.299961         0.001137
BFGS:    8 11:09:57      -75.299961         0.000009
BFGS:    9 11:09:57      -75.299961         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.2980713689495927e-30 eV/Angstrom
Maximum stress component: 2.1115336243264542e-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]
 [3.16735836e-49 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 0.00000000e+00 8.44628895e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.33471671e-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([[6.4807422030297825, 1.3759755701501918e-32, 7.004649304271856e-32], [-8.168701379754268e-33, 6.4807422030297825, -2.6364464165426795e-17], [2.2039011596726852e-32, -2.6364464165426733e-17, 6.4807422030297825]])
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]
 [-8.65380913e-32  2.66271050e-31 -1.19489134e-30]
 [ 4.97568022e-31 -6.64117443e-32 -1.39886896e-31]
 [-1.70579891e-31  3.39495589e-31  1.29807137e-30]
 [ 3.86093023e-31 -3.14532678e-31  1.27955800e-48]
 [-5.45855653e-31  5.32542100e-32  9.98516438e-32]
 [ 5.90788892e-32  1.02347935e-31  5.19228548e-31]
 [ 6.12423415e-31 -1.05416293e-31 -6.01814178e-31]
 [-7.31465297e-31 -6.65677625e-32 -3.51144947e-31]]
stress =  [-2.11153362e-10 -2.11153362e-10 -2.11153362e-10  9.50470411e-26
 -4.89124838e-35  1.12715958e-50]
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