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 11:17:45       -8.836526         1.075153
BFGS:    1 11:17:45       -8.880396         0.827438
BFGS:    2 11:17:45       -8.935602         0.156224
BFGS:    3 11:17:45       -8.937224         0.018793
BFGS:    4 11:17:45       -8.937251         0.002003
BFGS:    5 11:17:45       -8.937252         0.000310
BFGS:    6 11:17:45       -8.937252         0.000005
BFGS:    7 11:17:45       -8.937252         0.000000
BFGS:    8 11:17:45       -8.937252         0.000000
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, -5.083711782962888e-33, -6.809052667996298e-35], [-6.566070533054285e-33, 2.866347008617456, 2.2341646243764944e-19], [-1.3492040983774838e-34, 2.2341646243764434e-19, 2.866347008617456]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.24466421e-14 -4.24466421e-14 -4.24466421e-14 -3.27695106e-31
  1.25020629e-34  3.47644347e-52]
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 11:17:47       -8.892132         0.786469
BFGS:    1 11:17:47       -8.914639         0.546244
BFGS:    2 11:17:47       -8.937141         0.038975
BFGS:    3 11:17:47       -8.937251         0.003349
BFGS:    4 11:17:47       -8.937252         0.000195
BFGS:    5 11:17:47       -8.937252         0.000006
BFGS:    6 11:17:47       -8.937252         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.009494108661781e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.866347009239378, -2.8656329403338733e-33, -3.465769309760546e-33], [-2.850337211682351e-32, 2.866347009239378, -1.8020672394477293e-18], [-2.6362102323986895e-32, -1.8020672394476858e-18, 2.866347009239378]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.00949411e-10  8.00949411e-10  8.00949411e-10  1.04729517e-25
  2.50041259e-34 -4.61610477e-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