element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB3_cP4_221_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:
['3.6596']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6596, 0, 0], [0, 3.6596, 0], [0, 0, 3.6596]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:35      -21.844697         0.110297
BFGS:    1 12:20:35      -21.845181         0.094363
BFGS:    2 12:20:35      -21.846450         0.005136
BFGS:    3 12:20:35      -21.846454         0.000223
BFGS:    4 12:20:35      -21.846454         0.000000
BFGS:    5 12:20:35      -21.846454         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.980547722136648e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.27645734e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.650043616368222, -1.5499071834834035e-32, -1.36218948030004e-32], [-1.349826794095851e-32, 3.650043616368222, 1.9208113942215018e-18], [-5.917700083516186e-33, 1.9208113942214968e-18, 3.650043616368222]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.98054772e-12 -3.98054772e-12 -3.98054772e-12  1.56930186e-27
 -7.68912818e-60 -2.76807381e-60]
energy per atom =  -5.461613497417912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0