element(s):
['Al', 'Nb']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2281']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.2281, 0, 0], [0, 5.2281, 0], [0, 0, 5.2281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:19:42      -58.222719         0.820061
BFGS:    1 11:19:42      -58.250491         0.760726
BFGS:    2 11:19:42      -58.345575         0.505803
BFGS:    3 11:19:42      -58.401793         0.242442
BFGS:    4 11:19:42      -58.418038         0.008657
BFGS:    5 11:19:42      -58.418059         0.000098
BFGS:    6 11:19:42      -58.418059         0.000002
BFGS:    7 11:19:42      -58.418059         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.1061194055294326e-32 eV/Angstrom
Maximum stress component: 1.8027256334004003e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.   0.5 ]
 [0.75 0.   0.5 ]
 [0.5  0.25 0.  ]
 [0.5  0.75 0.  ]
 [0.   0.5  0.25]
 [0.   0.5  0.75]]
cellpar =  Cell([[5.126061174857678, -4.047263120064304e-32, -2.6412634992151618e-33], [9.216999517791281e-33, 5.126061174857678, 6.647757721678537e-19], [1.5789270330241274e-32, 6.647757721678657e-19, 5.126061174857678]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.20854128e-33 -5.26529851e-33  5.26529851e-33]
 [ 7.89794777e-33  1.05305970e-32  1.05305970e-32]
 [ 2.10611941e-32  5.26529851e-33 -5.26529851e-33]
 [-1.57958955e-32 -8.88519124e-33  1.57958955e-32]
 [-5.26529851e-33  1.05305970e-32  6.58162314e-33]
 [ 1.05305970e-32  1.05305970e-32 -7.89794777e-33]]
stress =  [-1.80272563e-11 -1.80272563e-11 -1.80272563e-11  1.43776159e-28
  2.81642289e-59  3.61013455e-60]
energy per atom =  -7.302257315239315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0