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 11:59:38      -30.686166         1.260107
BFGS:    1 11:59:38      -30.711143         1.206986
BFGS:    2 11:59:38      -30.772324         1.046914
BFGS:    3 11:59:38      -30.821681         0.869543
BFGS:    4 11:59:38      -30.859620         0.688430
BFGS:    5 11:59:38      -30.887445         0.508799
BFGS:    6 11:59:38      -30.906986         0.363640
BFGS:    7 11:59:38      -30.920920         0.449950
BFGS:    8 11:59:38      -30.932795         0.505451
BFGS:    9 11:59:39      -30.945972         0.522073
BFGS:   10 11:59:39      -30.962182         0.495354
BFGS:   11 11:59:39      -30.981559         0.419174
BFGS:   12 11:59:39      -31.002352         0.280193
BFGS:   13 11:59:39      -31.015410         0.108917
BFGS:   14 11:59:39      -31.016974         0.044214
BFGS:   15 11:59:39      -31.017292         0.009724
BFGS:   16 11:59:39      -31.017329         0.001229
BFGS:   17 11:59:39      -31.017330         0.000123
BFGS:   18 11:59:39      -31.017330         0.000003
BFGS:   19 11:59:40      -31.017330         0.000000
BFGS:   20 11:59:40      -31.017330         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.17589505831103e-30 eV/Angstrom
Maximum stress component: 1.909792607230223e-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]
 [1.73281495e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.04117524e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 3.12941122e-32 7.50000000e-01]
 [0.00000000e+00 1.40823505e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.82561793e-34]]
cellpar =  Cell([[3.938744635159673, -6.2343232699280685e-37, -1.8216676056328567e-32], [-1.865772612707738e-36, 3.9387446351596727, -3.918006445937169e-17], [-7.8895036362702e-33, -8.209463578773848e-17, 8.054876276035605]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.42743880e-32  1.01189451e-48 -9.92840155e-32]
 [ 2.42743880e-32  2.42743880e-32 -5.95704093e-31]
 [-2.42743880e-32  1.21371940e-32 -1.17589506e-30]
 [ 2.42743880e-32 -2.27676265e-48  2.23389035e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.90979261e-11 -1.90979261e-11 -3.72347180e-12  1.08599382e-27
  9.71278487e-35 -5.53737188e-50]
energy per atom =  -3.877166218795039
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0