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 15:55:27      -11.093599         2.327710
BFGS:    1 15:55:27      -11.312450         1.989097
BFGS:    2 15:55:27      -11.548595         1.085707
BFGS:    3 15:55:27      -11.614339         0.083218
BFGS:    4 15:55:27      -11.615092         0.057325
BFGS:    5 15:55:27      -11.615685         0.025430
BFGS:    6 15:55:27      -11.615680         0.014210
BFGS:    7 15:55:27      -11.615708         0.007375
BFGS:    8 15:55:27      -11.615715         0.007083
BFGS:    9 15:55:27      -11.615716         0.003635
BFGS:   10 15:55:27      -11.615717         0.001914
BFGS:   11 15:55:27      -11.615717         0.003232
BFGS:   12 15:55:27      -11.615718         0.000009
BFGS:   13 15:55:27      -11.615718         0.000000
BFGS:   14 15:55:27      -11.615718         0.000000
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 15:55:29      -11.582116         0.756004
BFGS:    1 15:55:29      -11.602333         0.488094
BFGS:    2 15:55:29      -11.615684         0.012775
BFGS:    3 15:55:29      -11.615701         0.009179
BFGS:    4 15:55:29      -11.615715         0.006602
BFGS:    5 15:55:29      -11.615715         0.003880
BFGS:    6 15:55:29      -11.615717         0.002481
BFGS:    7 15:55:29      -11.615715         0.006986
BFGS:    8 15:55:29      -11.615718         0.000007
BFGS:    9 15:55:29      -11.615718         0.000000
BFGS:   10 15:55:29      -11.615718         0.000000
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