element(s):
['Nb']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3383']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:16:03      -14.908312         0.647411
BFGS:    1 16:16:03      -14.922750         0.391647
BFGS:    2 16:16:03      -14.930838         0.014272
BFGS:    3 16:16:03      -14.930848         0.000050
BFGS:    4 16:16:03      -14.930848         0.000000
BFGS:    5 16:16:03      -14.930848         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.279704113062582e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3000514686324953, 1.973559734363991e-32, 9.708913238489927e-34], [1.9458270187209273e-32, 3.3000514686324953, 2.044992304225934e-20], [-1.950351336054129e-33, 2.044992304226023e-20, 3.3000514686324953]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.27970411e-14 -6.27970411e-14 -6.27970411e-14 -7.76788530e-31
  1.19769223e-62  2.52588586e-62]
energy per atom =  -7.4654242349909525
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0