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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 12:16:45       -8.006889         1.203718
BFGS:    1 12:16:45       -8.059921         0.845689
BFGS:    2 12:16:45       -8.109343         0.033445
BFGS:    3 12:16:45       -8.109422         0.000576
BFGS:    4 12:16:45       -8.109422         0.000001
BFGS:    5 12:16:45       -8.109422         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3183796047300023e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0355268386160246, -2.3283686209252754e-32, 8.051804787907907e-33], [-1.0930062867173457e-32, 3.0355268386160246, -1.2782188224441703e-17], [6.196919643449774e-33, -1.278218822444171e-17, 3.0355268386160246]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.31837960e-12  2.31837960e-12  2.31837960e-12  9.08431035e-29
  3.06551717e-34 -1.51810764e-52]
energy per atom =  -4.054710878495489
===============================================
==== 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 12:16:48       -7.580631         1.234442
BFGS:    1 12:16:48       -7.649339         1.364323
BFGS:    2 12:16:48       -7.874869         1.523081
BFGS:    3 12:16:48       -8.059257         0.810809
BFGS:    4 12:16:48       -8.107224         0.167340
BFGS:    5 12:16:48       -8.109421         0.003422
BFGS:    6 12:16:48       -8.109422         0.000029
BFGS:    7 12:16:48       -8.109422         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.844804039549628e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0355268390704437, 2.0377459658929622e-33, -1.7085974372395335e-32], [-1.0656445672312539e-32, 3.0355268390704437, 5.959745340393707e-17], [1.6859198317009824e-32, 5.959745340393706e-17, 3.0355268390704437]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.84480404e-10  4.84480404e-10  4.84480404e-10 -3.85384255e-27
  0.00000000e+00 -8.84043271e-59]
energy per atom =  -4.05471087849548
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0