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_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== 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 12:16:47       -8.760664         1.671896
BFGS:    1 12:16:47       -8.867190         1.302529
BFGS:    2 12:16:47       -9.004466         0.522466
BFGS:    3 12:16:47       -9.029634         0.033458
BFGS:    4 12:16:47       -9.029728         0.002314
BFGS:    5 12:16:47       -9.029728         0.000012
BFGS:    6 12:16:47       -9.029728         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.256239323972672e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.796772735443719, -2.546904118690314e-32, 2.5769170363802974e-33], [7.810316566160303e-34, 2.796772735443719, -2.099933921219571e-18], [5.813111688042387e-33, -2.09993392121958e-18, 2.796772735443719]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.25623932e-10 -4.25623932e-10 -4.25623932e-10 -4.85989137e-26
  3.15163635e-33 -6.66013698e-50]
energy per atom =  -4.514864164719919
===============================================
==== 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 12:16:49       -9.026918         0.170683
BFGS:    1 12:16:49       -9.028029         0.133124
BFGS:    2 12:16:49       -9.029728         0.002883
BFGS:    3 12:16:49       -9.029728         0.000055
BFGS:    4 12:16:49       -9.029728         0.000000
BFGS:    5 12:16:49       -9.029728         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.06667205531097e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7967727358544, -8.99917592196015e-33, 9.287770091798125e-34], [-6.313058644006255e-33, 2.7967727358544, -5.716620519543111e-20], [1.1293629455509844e-34, -5.716620519543164e-20, 2.7967727358544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.06667206e-14 -3.06667206e-14 -3.06667206e-14 -9.21859973e-31
  6.56590906e-35  2.36977002e-52]
energy per atom =  -4.514864164719925
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0