element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8263']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8263, 0, 0], [0, 5.8263, 0], [0, 0, 5.8263]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:03:01      -87.356160         0.004767
BFGS:    1 16:03:01      -87.356161         0.004619
BFGS:    2 16:03:01      -87.356176         0.000010
BFGS:    3 16:03:01      -87.356176         0.000000
BFGS:    4 16:03:01      -87.356176         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.4540049582934168e-31 eV/Angstrom
Maximum stress component: 9.076248378992906e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[5.827098583434054, 4.230561307494871e-33, -2.22646643299163e-32], [2.1576151022017282e-32, 5.827098583434054, -5.837622849175253e-23], [1.2778595585820147e-34, -5.837622851423755e-23, 5.827098583434054]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.25692937e-31  4.18976456e-32 -1.40656382e-31]
 [-9.27733582e-32 -4.78830236e-32  4.48903346e-32]
 [ 1.03995942e-31  2.99268897e-32  1.01751425e-31]
 [-1.43649071e-31 -1.03247770e-31 -2.09488228e-32]
 [-1.01751425e-31 -2.99268897e-32 -2.45400496e-31]
 [ 4.67607652e-32 -2.99268897e-32 -1.79561338e-31]
 [-3.59122677e-32 -9.57660472e-32 -7.55653966e-32]
 [-7.36949660e-32  1.94524783e-32 -1.09607234e-31]]
stress =  [-9.07624838e-15 -9.07624838e-15 -9.07624838e-15 -5.49921981e-31
 -3.02506341e-35 -6.71158336e-51]
energy per atom =  -5.459760984323735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0