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 15:23:12        1.656927        10.814938
BFGS:    1 15:23:12        0.141245         9.304725
BFGS:    2 15:23:12       -1.107658         7.257876
BFGS:    3 15:23:12       -2.098183         6.301614
BFGS:    4 15:23:12       -3.030404         5.938390
BFGS:    5 15:23:12       -3.805791         4.161683
BFGS:    6 15:23:12       -4.241000         1.568794
BFGS:    7 15:23:12       -4.303393         0.222230
BFGS:    8 15:23:12       -4.304590         0.009279
BFGS:    9 15:23:12       -4.304592         0.000046
BFGS:   10 15:23:12       -4.304592         0.000000
BFGS:   11 15:23:12       -4.304592         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0740764903356164e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.41460766e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7910102198095004, 3.3425013381917884e-32, -7.060030255611685e-33], [6.20208466750158e-33, 3.7910102198095004, -8.386935615059448e-18], [2.655573931986318e-33, -8.386935615059458e-18, 3.7910102198095004]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.07407649e-15  3.07407649e-15  3.07407649e-15  1.54220151e-31
 -5.00296360e-34 -1.76811873e-50]
energy per atom =  -1.0761479666354055
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0