element(s):
['Nb', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0603']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0603, 0, 0], [0, 4.0603, 0], [0, 0, 4.0603]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:50      -25.860694         0.278438
BFGS:    1 15:10:50      -25.863886         0.256290
BFGS:    2 15:10:50      -25.875869         0.127965
BFGS:    3 15:10:50      -25.877948         0.031313
BFGS:    4 15:10:50      -25.878104         0.002887
BFGS:    5 15:10:50      -25.878105         0.000075
BFGS:    6 15:10:50      -25.878105         0.000000
BFGS:    7 15:10:50      -25.878105         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.232639126119643e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Ni']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[4.021739051553617, 2.9635744328371824e-32, -9.908396006942559e-33], [-4.0652564715808326e-33, 4.021739051553617, -3.086235091807419e-18], [-2.0080332937268985e-32, -3.0862350918074157e-18, 4.021739051553617]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.23263913e-13  6.23263913e-13  6.23263913e-13 -5.95650366e-29
 -1.15103745e-34  2.56597081e-51]
energy per atom =  -6.469526326279755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0