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_PunMishin_2009_NiAl__MO_751354403791_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 17:06:11       -8.762665         0.161798
BFGS:    1 17:06:11       -8.763675         0.129530
BFGS:    2 17:06:11       -8.765426         0.005179
BFGS:    3 17:06:12       -8.765428         0.000160
BFGS:    4 17:06:12       -8.765428         0.000000
BFGS:    5 17:06:12       -8.765428         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.748228249389748e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7687465882484728, -1.038907311097505e-32, 1.3599032027082151e-32], [-5.6326135519587966e-33, 2.7687465882484728, -5.079121888522566e-20], [1.8947921157131155e-33, -5.079121888521257e-20, 2.7687465882484728]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.74822825e-13 -7.74822825e-13 -7.74822825e-13  1.69403182e-29
  1.33990126e-34 -4.83014343e-51]
energy per atom =  -4.360167700432801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0