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 14:42:16      -11.093599        2.3277
BFGS:    1 14:42:16      -11.312450        1.9891
BFGS:    2 14:42:16      -11.548595        1.0857
BFGS:    3 14:42:17      -11.614339        0.0832
BFGS:    4 14:42:17      -11.615092        0.0573
BFGS:    5 14:42:17      -11.615685        0.0254
BFGS:    6 14:42:17      -11.615680        0.0142
BFGS:    7 14:42:17      -11.615708        0.0074
BFGS:    8 14:42:17      -11.615715        0.0071
BFGS:    9 14:42:17      -11.615716        0.0036
BFGS:   10 14:42:17      -11.615717        0.0019
BFGS:   11 14:42:17      -11.615717        0.0032
BFGS:   12 14:42:17      -11.615718        0.0000
BFGS:   13 14:42:17      -11.615718        0.0000
BFGS:   14 14:42:17      -11.615718        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2258720170500646e-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, 2.775196430619234e-32, -1.6588918167763524e-32], [-1.8161364381550576e-32, 2.771410981635858, 7.751529931652455e-18], [-3.84663688804663e-33, 7.751529931652455e-18, 2.771410981635858]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.22587202e-15  3.22587202e-15  3.22587202e-15 -8.91814255e-31
 -1.06986094e-33  2.38512008e-49]
energy per atom =  -5.8078588081815425
===============================================
==== 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 14:42:18      -11.582116        0.7560
BFGS:    1 14:42:18      -11.602333        0.4881
BFGS:    2 14:42:18      -11.615684        0.0128
BFGS:    3 14:42:18      -11.615701        0.0092
BFGS:    4 14:42:18      -11.615715        0.0066
BFGS:    5 14:42:18      -11.615715        0.0039
BFGS:    6 14:42:18      -11.615717        0.0025
BFGS:    7 14:42:18      -11.615715        0.0070
BFGS:    8 14:42:18      -11.615718        0.0000
BFGS:    9 14:42:18      -11.615718        0.0000
BFGS:   10 14:42:18      -11.615718        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.692729768391473e-18 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.771410981635856, 4.1752611121470887e-32, -1.2743917546943442e-33], [1.1135488022826311e-32, 2.771410981635856, 3.190532053442432e-19], [-1.0007910958213857e-32, 3.1905320534424936e-19, 2.771410981635856]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.69272977e-18  8.69272977e-18  8.69272977e-18 -1.85284031e-33
 -2.67465236e-34  5.07140795e-50]
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