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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== 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 18:04:59        3.864495       10.7252
BFGS:    1 18:04:59        1.405343       19.3352
BFGS:    2 18:04:59       -1.205583       13.8158
BFGS:    3 18:04:59       -2.810886        9.0826
BFGS:    4 18:04:59       -4.108550        7.1598
BFGS:    5 18:04:59       -4.626993        1.3543
BFGS:    6 18:04:59       -4.670743        1.1882
BFGS:    7 18:04:59       -4.888799        1.6737
BFGS:    8 18:04:59       -4.806141        6.6644
BFGS:    9 18:04:59       -4.936610        1.4672
BFGS:   10 18:04:59       -4.964837        1.1030
BFGS:   11 18:04:59       -4.948147        2.4054
BFGS:   12 18:04:59       -4.981701        0.4805
BFGS:   13 18:04:59       -4.984153        0.1664
BFGS:   14 18:04:59       -4.984444        0.0225
BFGS:   15 18:04:59       -4.984449        0.0009
BFGS:   16 18:04:59       -4.984449        0.0000
BFGS:   17 18:04:59       -4.984449        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3191820091687505e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.256969341745838, 6.85893969655892e-33, 4.096191259284749e-33], [1.2907160129218928e-32, 3.256969341745838, 3.103076178960406e-17], [-3.891276674216288e-33, 3.103076178960406e-17, 3.256969341745838]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.31918201e-11  3.31918201e-11  3.31918201e-11 -2.29992634e-28
  6.82473253e-60 -1.39518111e-59]
energy per atom =  -2.492224414087339
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0