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 17:08:07        3.864495        10.725197
BFGS:    1 17:08:07        1.405343        19.335168
BFGS:    2 17:08:07       -1.205583        13.815785
BFGS:    3 17:08:07       -2.810886         9.082583
BFGS:    4 17:08:07       -4.108550         7.159841
BFGS:    5 17:08:07       -4.626993         1.354347
BFGS:    6 17:08:07       -4.670743         1.188153
BFGS:    7 17:08:07       -4.888799         1.673742
BFGS:    8 17:08:07       -4.806141         6.664408
BFGS:    9 17:08:07       -4.936610         1.467161
BFGS:   10 17:08:07       -4.964837         1.103011
BFGS:   11 17:08:07       -4.948147         2.405433
BFGS:   12 17:08:07       -4.981701         0.480523
BFGS:   13 17:08:07       -4.984153         0.166400
BFGS:   14 17:08:07       -4.984444         0.022462
BFGS:   15 17:08:07       -4.984449         0.000863
BFGS:   16 17:08:07       -4.984449         0.000004
BFGS:   17 17:08:07       -4.984449         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.319406828958944e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2569693417458385, 7.484158067019602e-33, 3.000356217408387e-33], [1.7357992965336119e-32, 3.2569693417458385, 2.7284810754482686e-17], [-1.5296031404149757e-33, 2.728481075448269e-17, 3.2569693417458385]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.31940683e-11 3.31940683e-11 3.31940683e-11 7.66868712e-28
 1.21038041e-35 3.46687489e-52]
energy per atom =  -2.4922244140873375
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0