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 16:49:03      -58.222719         0.820061
BFGS:    1 16:49:03      -58.250491         0.760726
BFGS:    2 16:49:03      -58.345575         0.505803
BFGS:    3 16:49:03      -58.401793         0.242442
BFGS:    4 16:49:03      -58.418038         0.008657
BFGS:    5 16:49:03      -58.418059         0.000098
BFGS:    6 16:49:03      -58.418059         0.000002
BFGS:    7 16:49:03      -58.418059         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.3163246284558954e-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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 2.34820884e-36 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.126061174857678, 2.8013020546889096e-33, -5.303021108678754e-34], [-2.4010258903735064e-36, 5.126061174857678, -2.0082337696243457e-19], [4.495387897775373e-34, -2.0082337696243484e-19, 5.126061174857678]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.84119054e-33 -1.05305970e-32 -1.05305970e-32]
 [ 1.31632463e-32 -1.05305970e-32  1.05305970e-32]
 [-1.05305970e-32  7.89794777e-33 -5.26529851e-33]
 [ 1.05305970e-32  8.22702893e-33 -5.26529851e-33]
 [-1.05305970e-32 -1.05305970e-32  7.89794777e-33]
 [-1.05305970e-32  1.05305970e-32  7.89794777e-33]]
stress =  [-1.80272563e-11 -1.80272563e-11 -1.80272563e-11 -1.23144823e-28
  9.06694653e-61 -7.23479443e-64]
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