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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 12:16:52       -7.843017         0.181135
BFGS:    1 12:16:52       -7.844245         0.135475
BFGS:    2 12:16:52       -7.845864         0.006782
BFGS:    3 12:16:52       -7.845868         0.000285
BFGS:    4 12:16:52       -7.845868         0.000001
BFGS:    5 12:16:52       -7.845868         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9198744747421655e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9682777272271306, 2.1573264311352064e-34, 3.6574599148344e-33], [-3.4583406117094128e-34, 2.9682777272271306, 6.355464427147495e-22], [-2.0945539714206902e-33, 6.355464427167002e-22, 2.9682777272271306]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.91987447e-12 -4.91987447e-12 -4.91987447e-12  6.73907912e-28
 -1.16581636e-34  5.75414859e-50]
energy per atom =  -3.9229341100804973
===============================================
==== 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 12:16:55       -7.485003         2.400651
BFGS:    1 12:16:55       -7.685612         1.515970
BFGS:    2 12:16:55       -7.828808         0.441984
BFGS:    3 12:16:55       -7.845011         0.093057
BFGS:    4 12:16:55       -7.845857         0.010444
BFGS:    5 12:16:55       -7.845868         0.000323
BFGS:    6 12:16:55       -7.845868         0.000001
BFGS:    7 12:16:55       -7.845868         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1270323258864957e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9682777272195193, -6.993034564912602e-34, 5.501649020746954e-34], [7.2002500650824365e-34, 2.9682777272195193, -6.502120456766937e-19], [2.7789448439876583e-34, -6.502120456766949e-19, 2.9682777272195193]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12703233e-11 -1.12703233e-11 -1.12703233e-11 -2.51264552e-27
  5.82908182e-35 -2.51658982e-54]
energy per atom =  -3.922934110080494
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0