element(s):
['Ni']
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:
['2.7844']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:10       -8.583843         0.166728
BFGS:    1 17:06:10       -8.584968         0.148022
BFGS:    2 17:06:10       -8.588874         0.014832
BFGS:    3 17:06:10       -8.588908         0.001360
BFGS:    4 17:06:10       -8.588909         0.000013
BFGS:    5 17:06:10       -8.588909         0.000000
BFGS:    6 17:06:10       -8.588909         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.454779841380027e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7570311150045947, -1.1890084312453242e-32, -2.1521340128821376e-34], [-1.207028362591033e-32, 2.7570311150045947, 6.5781311225210694e-18], [4.5578023962803116e-35, 6.578131122521069e-18, 2.7570311150045947]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.45477984e-15  7.45477984e-15  7.45477984e-15 -1.35626735e-32
 -2.66866006e-64  6.78814885e-63]
energy per atom =  -4.29445436219677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0