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 12:16:46       -8.012844         0.023472
BFGS:    1 12:16:46       -8.012866         0.020651
BFGS:    2 12:16:46       -8.012941         0.000242
BFGS:    3 12:16:46       -8.012941         0.000003
BFGS:    4 12:16:47       -8.012941         0.000000
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, 1.357014735498232e-32, -5.618598984506598e-33], [1.6269084639992493e-32, 3.031279138194131, -1.7551949644368024e-20], [9.432887528331235e-33, -1.755194964439243e-20, 3.031279138194131]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.98278316e-11 -4.98278316e-11 -4.98278316e-11 -6.15806419e-28
  1.38641659e-58 -2.95859906e-59]
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 12:16:49       -7.884038         0.792463
BFGS:    1 12:16:49       -7.908948         0.679520
BFGS:    2 12:16:49       -7.983964         0.344243
BFGS:    3 12:16:49       -8.012795         0.027175
BFGS:    4 12:16:49       -8.012936         0.005517
BFGS:    5 12:16:49       -8.012941         0.000093
BFGS:    6 12:16:49       -8.012941         0.000001
BFGS:    7 12:16:49       -8.012941         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.546325620856774e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0312791383272133, 5.0743764620997866e-34, 2.072231554994198e-32], [-1.1349455155063145e-33, 3.0312791383272133, 3.3133247939621784e-18], [1.0710327573203824e-33, 3.3133247939621865e-18, 3.0312791383272133]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.54632562e-12  4.54632562e-12  4.54632562e-12 -1.05537377e-27
  1.01486183e-60  1.25544277e-61]
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