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_Mishin_2004_NiAl__MO_101214310689_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 16:07:09       -8.762665         0.161798
BFGS:    1 16:07:09       -8.763675         0.129531
BFGS:    2 16:07:09       -8.765426         0.005185
BFGS:    3 16:07:09       -8.765428         0.000160
BFGS:    4 16:07:09       -8.765428         0.000000
BFGS:    5 16:07:09       -8.765428         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.312275972473203e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.768746655190622, 1.2983365671140096e-33, 4.43366576234139e-34], [1.1684956304882488e-32, 2.768746655190622, 9.900012564596627e-20], [3.6186752669503145e-34, 9.900012564596704e-20, 2.768746655190622]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.31227597e-13 -6.31227597e-13 -6.31227597e-13  1.85301039e-29
 -3.05803012e-62 -4.57144670e-61]
energy per atom =  -4.360164486601947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0