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_2006B_AlNiCo__MO_128037485276_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       -3.375459       36.6790
BFGS:    1 18:04:59       -4.112848       34.0345
BFGS:    2 18:04:59       -4.607589       29.8941
BFGS:    3 18:04:59       -4.868908       24.2370
BFGS:    4 18:04:59       -4.923899       17.3387
BFGS:    5 18:04:59       -4.859641       11.0050
BFGS:    6 18:04:59       -4.766613        5.4019
BFGS:    7 18:04:59       -4.713355        1.1479
BFGS:    8 18:04:59       -4.707692        0.3109
BFGS:    9 18:04:59       -4.706257        0.0075
BFGS:   10 18:04:59       -4.706227        0.0001
BFGS:   11 18:04:59       -4.706226        0.0000
BFGS:   12 18:04:59       -4.706226        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6046009637249438e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.294174024079264, 4.10690190076762e-33, -2.3050566904781746e-33], [7.036653608686962e-33, 3.2941740240792647, -1.7330061126662452e-17], [-1.727936542079106e-34, -1.7330061126662455e-17, 3.294174024079264]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.60460096e-14  1.60460096e-14  1.60460096e-14 -7.97570317e-33
 -1.41983343e-34 -6.42082873e-51]
energy per atom =  1.2945768707576009
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0