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 13:54:10      -30.686166        1.2601
BFGS:    1 13:54:10      -30.711143        1.2070
BFGS:    2 13:54:10      -30.772324        1.0469
BFGS:    3 13:54:10      -30.821681        0.8695
BFGS:    4 13:54:11      -30.859620        0.6884
BFGS:    5 13:54:11      -30.887445        0.5088
BFGS:    6 13:54:11      -30.906986        0.3636
BFGS:    7 13:54:11      -30.920920        0.4500
BFGS:    8 13:54:11      -30.932795        0.5055
BFGS:    9 13:54:11      -30.945972        0.5221
BFGS:   10 13:54:11      -30.962182        0.4954
BFGS:   11 13:54:11      -30.981559        0.4192
BFGS:   12 13:54:11      -31.002352        0.2802
BFGS:   13 13:54:11      -31.015410        0.1089
BFGS:   14 13:54:11      -31.016974        0.0442
BFGS:   15 13:54:11      -31.017292        0.0097
BFGS:   16 13:54:11      -31.017329        0.0012
BFGS:   17 13:54:11      -31.017330        0.0001
BFGS:   18 13:54:11      -31.017330        0.0000
BFGS:   19 13:54:11      -31.017330        0.0000
BFGS:   20 13:54:11      -31.017330        0.0000
Minimization converged after 20 steps.
Maximum force component: 4.964200773872422e-32 eV/Angstrom
Maximum stress component: 1.9097650428966645e-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]
 [3.00926554e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.84558704e-33 2.50000000e-01]
 [1.20370622e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.11724228e-32 7.50000000e-01]
 [0.00000000e+00 1.36911741e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.938744635159674, 2.8136017709809273e-36, -1.7832749704173625e-32], [7.929473573309618e-36, 3.938744635159673, -1.9569498693414365e-18], [2.565789676212458e-32, -2.2694732149741915e-18, 8.054876276035605]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.03429849e-33  1.21371940e-32  4.03341313e-32]
 [-6.06859699e-33 -1.37491651e-32  2.48210039e-32]
 [ 1.18584531e-64 -6.06859699e-33  3.72315058e-32]
 [ 1.58177867e-64  2.42743880e-32  4.96420077e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.90976504e-11 -1.90976504e-11 -3.72315063e-12 -1.86349131e-27
  1.12341797e-44  2.50275346e-60]
energy per atom =  -3.8771662187950375
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0