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_AlCo__MO_678952612413_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 14:41:02       -8.760664        1.6719
BFGS:    1 14:41:02       -8.867190        1.3025
BFGS:    2 14:41:02       -9.004466        0.5225
BFGS:    3 14:41:02       -9.029634        0.0335
BFGS:    4 14:41:02       -9.029728        0.0023
BFGS:    5 14:41:02       -9.029728        0.0000
BFGS:    6 14:41:02       -9.029728        0.0000
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, 1.5479429872167342e-32, 3.850579778602753e-33], [1.4000737982084082e-32, 2.796772735443719, -2.0766853532766306e-18], [3.0316585449950764e-33, -2.0766853532766333e-18, 2.796772735443719]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.25623932e-10 -4.25623932e-10 -4.25623932e-10  1.60431193e-26
  1.05054545e-33 -3.15232763e-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 14:41:04       -9.026918        0.1707
BFGS:    1 14:41:04       -9.028029        0.1331
BFGS:    2 14:41:04       -9.029728        0.0029
BFGS:    3 14:41:04       -9.029728        0.0001
BFGS:    4 14:41:04       -9.029728        0.0000
BFGS:    5 14:41:04       -9.029728        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.998666640139137e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7967727358544003, -6.0837123252499366e-33, -9.798440524985366e-34], [-4.300614325720622e-33, 2.7967727358544003, -5.73058156186116e-20], [4.670254722712849e-34, -5.730581561861356e-20, 2.7967727358544003]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99866664e-14 -2.99866664e-14 -2.99866664e-14 -4.39313875e-32
 -2.04335975e-63  1.12460756e-63]
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