element(s):
['Al', 'Fe']
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:
['3.0271']
Parameter values for parameter set 1:
['2.8666']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0271, 0, 0], [0, 3.0271, 0], [0, 0, 3.0271]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:28       -8.012844        0.0235
BFGS:    1 14:42:28       -8.012866        0.0207
BFGS:    2 14:42:28       -8.012941        0.0002
BFGS:    3 14:42:28       -8.012941        0.0000
BFGS:    4 14:42:28       -8.012941        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9827831569083937e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.031279138194131, 1.596457283933576e-35, -8.625828359874754e-34], [2.7149018578450255e-33, 3.031279138194131, -1.7551949644373444e-20], [8.93307966969611e-33, -1.7551949644387007e-20, 3.031279138194131]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.98278316e-11 -4.98278316e-11 -4.98278316e-11  1.35012769e-26
  1.29241505e-58  9.39966435e-60]
energy per atom =  -4.006470721163284
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8666, 0, 0], [0, 2.8666, 0], [0, 0, 2.8666]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:30       -7.884038        0.7925
BFGS:    1 14:42:30       -7.908948        0.6795
BFGS:    2 14:42:30       -7.983964        0.3442
BFGS:    3 14:42:30       -8.012795        0.0272
BFGS:    4 14:42:30       -8.012936        0.0055
BFGS:    5 14:42:30       -8.012941        0.0001
BFGS:    6 14:42:30       -8.012941        0.0000
BFGS:    7 14:42:30       -8.012941        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.545846641879645e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0312791383272124, 2.0316601973080313e-33, 1.7325172938112672e-33], [-1.2786693986098247e-33, 3.0312791383272124, 3.436823067548365e-18], [-2.376190392173372e-33, 3.43682306754837e-18, 3.0312791383272124]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.54584664e-12  4.54584664e-12  4.54584664e-12  5.09103158e-28
 -5.58929918e-34 -5.07951660e-50]
energy per atom =  -4.006470721163292
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0