element(s):
['Al', 'Co']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.9525']
Parameter values for parameter set 1:
['2.8121']
model name:
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9525, 0, 0], [0, 2.9525, 0], [0, 0, 2.9525]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:35      -11.093599         2.327710
BFGS:    1 11:17:35      -11.312450         1.989097
BFGS:    2 11:17:35      -11.548595         1.085707
BFGS:    3 11:17:35      -11.614339         0.083218
BFGS:    4 11:17:35      -11.615092         0.057325
BFGS:    5 11:17:35      -11.615685         0.025430
BFGS:    6 11:17:35      -11.615680         0.014210
BFGS:    7 11:17:35      -11.615708         0.007375
BFGS:    8 11:17:35      -11.615715         0.007083
BFGS:    9 11:17:35      -11.615716         0.003635
BFGS:   10 11:17:35      -11.615717         0.001914
BFGS:   11 11:17:35      -11.615717         0.003232
BFGS:   12 11:17:35      -11.615718         0.000009
BFGS:   13 11:17:35      -11.615718         0.000000
BFGS:   14 11:17:35      -11.615718         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.48665391010181e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.771410981635858, 1.49998960953472e-32, 5.5410523399286344e-33], [5.9421499510161556e-33, 2.771410981635858, 7.846818859190526e-18], [1.2151229193965278e-32, 7.846818859190528e-18, 2.771410981635858]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.48665391e-15  3.48665391e-15  3.48665391e-15 -5.48838849e-31
  5.34930472e-34 -2.46175638e-50]
energy per atom =  -5.807858808181537
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8121, 0, 0], [0, 2.8121, 0], [0, 0, 2.8121]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:17:37      -11.582116         0.756004
BFGS:    1 11:17:37      -11.602333         0.488094
BFGS:    2 11:17:37      -11.615684         0.012775
BFGS:    3 11:17:37      -11.615701         0.009179
BFGS:    4 11:17:37      -11.615715         0.006602
BFGS:    5 11:17:37      -11.615715         0.003880
BFGS:    6 11:17:37      -11.615717         0.002481
BFGS:    7 11:17:37      -11.615715         0.006986
BFGS:    8 11:17:37      -11.615718         0.000007
BFGS:    9 11:17:37      -11.615718         0.000000
BFGS:   10 11:17:37      -11.615718         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.258765433241855e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7714109816358565, -1.7694620712356242e-32, -7.094208786969261e-33], [-3.6134426416118967e-34, 2.7714109816358565, 1.2860185669433735e-18], [9.382818346083926e-33, 1.2860185669433825e-18, 2.7714109816358565]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.25876543e-16  6.25876543e-16  6.25876543e-16  1.32213092e-32
 -5.34930472e-34 -6.24646189e-51]
energy per atom =  -5.807858808181547
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0