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 09:01:04      -21.844697        0.1103
BFGS:    1 09:01:04      -21.845181        0.0944
BFGS:    2 09:01:04      -21.846450        0.0051
BFGS:    3 09:01:04      -21.846454        0.0002
BFGS:    4 09:01:04      -21.846454        0.0000
BFGS:    5 09:01:04      -21.846454        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.981059506604605e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.87457422e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.05529147e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6500436163682215, 1.8024918315484047e-33, -9.27964762523056e-35], [1.1474255819780378e-32, 3.6500436163682215, 1.8963382679034697e-18], [-1.2046126680179438e-32, 1.896338267903479e-18, 3.6500436163682215]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.98105951e-12 -3.98105951e-12 -3.98105951e-12 -3.99173509e-28
 -5.74530228e-61  6.39606129e-60]
energy per atom =  -5.461613497417913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0