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_VailheFarkas_1997_CoAl__MO_284963179498_005
==== 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 14:42:27       -8.836526        1.0752
BFGS:    1 14:42:27       -8.880396        0.8274
BFGS:    2 14:42:27       -8.935602        0.1562
BFGS:    3 14:42:27       -8.937224        0.0188
BFGS:    4 14:42:27       -8.937251        0.0020
BFGS:    5 14:42:27       -8.937252        0.0003
BFGS:    6 14:42:27       -8.937252        0.0000
BFGS:    7 14:42:27       -8.937252        0.0000
BFGS:    8 14:42:27       -8.937252        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.244664208219079e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.866347008617456, -1.6650850441384307e-32, -1.1677420554806525e-33], [-9.5115723242718e-33, 2.866347008617456, 1.250878417096984e-19], [-6.627802604356574e-33, 1.2508784170969656e-19, 2.866347008617456]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.24466421e-14 -4.24466421e-14 -4.24466421e-14 -4.48417565e-30
  1.25020629e-34 -2.74325019e-51]
energy per atom =  -4.46862582435978
===============================================
==== 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 14:42:28       -8.892132        0.7865
BFGS:    1 14:42:28       -8.914639        0.5462
BFGS:    2 14:42:28       -8.937141        0.0390
BFGS:    3 14:42:28       -8.937251        0.0033
BFGS:    4 14:42:28       -8.937252        0.0002
BFGS:    5 14:42:28       -8.937252        0.0000
BFGS:    6 14:42:28       -8.937252        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.009488946423472e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8663470092393775, -1.6482975989862478e-32, -1.1226674893140118e-32], [-1.8290365683776085e-32, 2.8663470092393775, -1.7976520944507337e-18], [-2.5041824916524627e-32, -1.797652094450699e-18, 2.8663470092393775]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.00948895e-10 8.00948895e-10 8.00948895e-10 1.56979909e-25
 1.25020629e-34 1.04789527e-50]
energy per atom =  -4.468625824359773
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0