element(s):
['Al', 'Ti']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8731', '2.2419509']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8731, 0, 0], [0, 3.8731, 0], [0, 0, 8.6833]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:29      -30.686166         1.260107
BFGS:    1 16:55:29      -30.711143         1.206986
BFGS:    2 16:55:29      -30.772324         1.046914
BFGS:    3 16:55:29      -30.821681         0.869543
BFGS:    4 16:55:29      -30.859620         0.688430
BFGS:    5 16:55:29      -30.887445         0.508799
BFGS:    6 16:55:29      -30.906986         0.363640
BFGS:    7 16:55:30      -30.920920         0.449950
BFGS:    8 16:55:30      -30.932795         0.505451
BFGS:    9 16:55:30      -30.945972         0.522073
BFGS:   10 16:55:30      -30.962182         0.495354
BFGS:   11 16:55:30      -30.981559         0.419174
BFGS:   12 16:55:30      -31.002352         0.280193
BFGS:   13 16:55:30      -31.015410         0.108917
BFGS:   14 16:55:30      -31.016974         0.044214
BFGS:   15 16:55:30      -31.017292         0.009724
BFGS:   16 16:55:30      -31.017329         0.001229
BFGS:   17 16:55:30      -31.017330         0.000123
BFGS:   18 16:55:30      -31.017330         0.000003
BFGS:   19 16:55:30      -31.017330         0.000000
BFGS:   20 16:55:31      -31.017330         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.4272077224883212e-31 eV/Angstrom
Maximum stress component: 1.9096886468247283e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.70685350e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.82352804e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.81647010e-32 7.50000000e-01]
 [1.73717219e-49 1.56470561e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9387446351596744, -1.4836050067357214e-38, -6.205764800498856e-32], [-3.4500469351773805e-37, 3.9387446351596744, 3.6965315938630184e-17], [-7.46350265625131e-33, 8.167956279182272e-17, 8.054876276035605]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.10289548e-33  6.29236463e-49  6.20525097e-32]
 [-4.59973864e-65  5.03389171e-49  4.96420077e-32]
 [-1.59300671e-32  6.92160110e-49  6.82577606e-32]
 [-1.32242486e-64  1.44724387e-48  1.42720772e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.90968865e-11 -1.90968865e-11 -3.72257491e-12  2.01254388e-27
 -4.85639244e-35  1.15118233e-50]
energy per atom =  -3.877166218795038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0