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 16:35:33      -73.066014         0.658616
BFGS:    1 16:35:33      -73.084244         0.633105
BFGS:    2 16:35:33      -73.169026         0.497174
BFGS:    3 16:35:33      -73.233337         0.360095
BFGS:    4 16:35:33      -73.276992         0.221764
BFGS:    5 16:35:33      -73.299804         0.082178
BFGS:    6 16:35:33      -73.303408         0.000621
BFGS:    7 16:35:33      -73.303409         0.000001
BFGS:    8 16:35:33      -73.303409         0.000000
Minimization converged after 8 steps.
Maximum force component: 3.556288289377127e-31 eV/Angstrom
Maximum stress component: 2.4602183673912103e-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 2.04562736e-69 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [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([[6.496149344934759, -1.578020026475225e-34, -1.173661474803149e-32], [-1.0767769164201616e-32, 6.496149344934759, 1.2616469211953805e-19], [5.0888491668564686e-33, 1.2616469211953193e-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]
 [ 3.66993104e-32  2.33541066e-32  3.17365627e-31]
 [ 7.23560268e-32  1.31575369e-31  3.55628829e-31]
 [ 1.45963166e-32  3.66993104e-32 -1.50133543e-31]
 [ 3.33630095e-32  1.54720956e-31 -2.76912978e-31]
 [-7.33986208e-32 -3.33630095e-33 -2.56895173e-31]
 [-5.35893339e-32  1.15727939e-32 -1.88501003e-31]
 [-8.84119751e-32  2.55435541e-32  2.16755302e-31]
 [-5.12695622e-32  3.00267085e-32  1.49299467e-31]]
stress =  [-2.46021837e-12 -2.46021837e-12 -2.46021837e-12 -6.05515575e-29
  3.77275767e-34  1.67272863e-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