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 14:41:02       -8.006889        1.2037
BFGS:    1 14:41:02       -8.059921        0.8457
BFGS:    2 14:41:02       -8.109343        0.0334
BFGS:    3 14:41:02       -8.109422        0.0006
BFGS:    4 14:41:02       -8.109422        0.0000
BFGS:    5 14:41:02       -8.109422        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3192726850448136e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0355268386160255, -1.7869639370257007e-32, 1.265454672116334e-32], [-5.516007565659641e-33, 3.0355268386160255, -1.2782201706343852e-17], [7.29769929661881e-33, -1.2782201706343861e-17, 3.0355268386160255]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.31927269e-12  2.31927269e-12  2.31927269e-12  3.24982848e-28
  1.37813425e-60 -1.02836336e-60]
energy per atom =  -4.054710878495488
===============================================
==== 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 14:41:03       -7.580631        1.2344
BFGS:    1 14:41:03       -7.649339        1.3643
BFGS:    2 14:41:03       -7.874869        1.5231
BFGS:    3 14:41:03       -8.059257        0.8108
BFGS:    4 14:41:03       -8.107224        0.1673
BFGS:    5 14:41:03       -8.109421        0.0034
BFGS:    6 14:41:03       -8.109422        0.0000
BFGS:    7 14:41:03       -8.109422        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.844801300770002e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0355268390704433, -1.2334048449812395e-32, 1.1025746138030421e-32], [-8.29731344221818e-33, 3.0355268390704433, 5.553204054181106e-17], [7.040534324584656e-33, 5.553204054181107e-17, 3.0355268390704433]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.84480130e-10 4.84480130e-10 4.84480130e-10 5.28973283e-26
 2.78683379e-35 4.94929623e-51]
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