element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8781', '0.80422245', '0.83045666']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83045666 0.66091332 0.25      ]]
spacegroup =  194
cell =  [[5.8781, 0, 0], [-2.93905, 5.0905839259853, 0], [0, 0, 4.7273]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:40:26      -37.068760         0.915816
BFGS:    1 13:40:26      -37.126975         0.883102
BFGS:    2 13:40:26      -37.288220         0.684642
BFGS:    3 13:40:26      -37.361943         0.435051
BFGS:    4 13:40:26      -37.378647         0.267635
BFGS:    5 13:40:26      -37.389419         0.235547
BFGS:    6 13:40:26      -37.403035         0.102332
BFGS:    7 13:40:26      -37.404947         0.109979
BFGS:    8 13:40:26      -37.405297         0.094728
BFGS:    9 13:40:26      -37.405584         0.077791
BFGS:   10 13:40:26      -37.406211         0.043086
BFGS:   11 13:40:26      -37.406879         0.033803
BFGS:   12 13:40:26      -37.407258         0.013329
BFGS:   13 13:40:27      -37.407330         0.004826
BFGS:   14 13:40:27      -37.407334         0.000671
BFGS:   15 13:40:27      -37.407334         0.000026
BFGS:   16 13:40:27      -37.407334         0.000001
BFGS:   17 13:40:27      -37.407334         0.000000
BFGS:   18 13:40:27      -37.407334         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.216581290547371e-09 eV/Angstrom
Maximum stress component: 2.0891984124226938e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83523459 0.6704692  0.25      ]
 [0.3295308  0.16476541 0.25      ]
 [0.83523459 0.16476541 0.25      ]
 [0.1647654  0.32953081 0.75      ]
 [0.67046919 0.8352346  0.75      ]
 [0.1647654  0.8352346  0.75      ]]
cellpar =  Cell([[5.72972245839636, -3.3385241157877624e-18, -3.7458184825996318e-37], [-2.86486122919818, 4.962085205605474, 9.117791306943683e-37], [-1.2321394929054022e-37, 5.546439824486985e-36, 4.662060069810906]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.17707137e-32  2.03874741e-32  3.74618183e-69]
 [ 3.53719256e-25 -2.21658129e-09 -3.83095513e-32]
 [ 1.91961571e-09  1.10829065e-09  3.83095513e-32]
 [-1.91961571e-09  1.10829065e-09 -3.83095513e-32]
 [-5.01829110e-25  2.21658129e-09  3.83095513e-32]
 [-1.91961571e-09 -1.10829065e-09 -3.83095513e-32]
 [ 1.91961571e-09 -1.10829065e-09  3.83095513e-32]]
stress =  [ 2.08919841e-10  2.08919841e-10  1.22999926e-10 -3.55211582e-34
  7.69661306e-47 -3.58597715e-26]
energy per atom =  -4.675916761999627
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0