element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
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 =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:25        1.656927        10.814938
BFGS:    1 16:33:25        0.141245         9.304725
BFGS:    2 16:33:25       -1.107658         7.257876
BFGS:    3 16:33:25       -2.098183         6.301614
BFGS:    4 16:33:25       -3.030404         5.938390
BFGS:    5 16:33:25       -3.805791         4.161683
BFGS:    6 16:33:25       -4.241000         1.568794
BFGS:    7 16:33:25       -4.303393         0.222230
BFGS:    8 16:33:25       -4.304590         0.009279
BFGS:    9 16:33:25       -4.304592         0.000046
BFGS:   10 16:33:25       -4.304592         0.000000
BFGS:   11 16:33:25       -4.304592         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.902088012338935e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.60973844e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.03210209e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.03210209e-34]]
cellpar =  Cell([[3.791010219809499, 1.935645557598334e-32, -8.574414530861109e-33], [2.0309425820205414e-32, 3.791010219809499, 7.768677010334632e-18], [7.663506639335808e-34, 7.768677010334623e-18, 3.791010219809499]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.90208801e-15 -1.90208801e-15 -1.90208801e-15  2.33058530e-31
  1.80316008e-64  4.31990178e-65]
energy per atom =  -1.0761479666354123
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0