element(s):
['Fe']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.7691']
Parameter values for parameter set 1:
['3.449']
Parameter values for parameter set 2:
['3.6011']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.7691, 0, 0], [0, 3.7691, 0], [0, 0, 3.7691]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:45      -17.074805         1.698601
BFGS:    1 15:18:45      -17.189489         1.455189
BFGS:    2 15:18:45      -17.373676         1.014629
BFGS:    3 15:18:45      -17.497567         0.648675
BFGS:    4 15:18:45      -17.572356         0.354023
BFGS:    5 15:18:45      -17.599915         0.024024
BFGS:    6 15:18:45      -17.599990         0.008193
BFGS:    7 15:18:45      -17.600000         0.000133
BFGS:    8 15:18:46      -17.600000         0.000001
BFGS:    9 15:18:46      -17.600000         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.5343438713187105e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.15319285e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.49189859e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.32793239e-34]]
cellpar =  Cell([[3.560000056165487, 7.665446784625089e-33, 1.0412986438304581e-33], [7.894388789696893e-33, 3.5600000561654874, 1.0096030536755126e-17], [-2.7193239677170626e-34, 1.0096030536755129e-17, 3.5600000561654874]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.53434387e-12  5.53434387e-12  5.53434387e-12 -1.01822615e-28
 -3.95106181e-34  1.68809836e-51]
energy per atom =  -4.39999993039239
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.449, 0, 0], [0, 3.449, 0], [0, 0, 3.449]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:47      -17.220702         2.524124
BFGS:    1 15:18:47      -17.435126         1.469392
BFGS:    2 15:18:47      -17.572620         0.467708
BFGS:    3 15:18:47      -17.594915         0.182315
BFGS:    4 15:18:47      -17.599750         0.038081
BFGS:    5 15:18:47      -17.599997         0.004015
BFGS:    6 15:18:47      -17.600000         0.000104
BFGS:    7 15:18:47      -17.600000         0.000000
BFGS:    8 15:18:47      -17.600000         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.360501571964585e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.84397615e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.560000056156634, -1.1131169308289789e-32, -1.772170987340742e-33], [-8.285328509632129e-33, 3.560000056156634, 1.7223301860859846e-18], [7.896463341584189e-34, 1.7223301860859865e-18, 3.560000056156634]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.36050157e-12 -2.36050157e-12 -2.36050157e-12 -2.99287336e-29
  3.79909790e-35  5.11380333e-52]
energy per atom =  -4.399999930392397
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6011, 0, 0], [0, 3.6011, 0], [0, 0, 3.6011]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:48      -17.576488         0.315433
BFGS:    1 15:18:48      -17.580585         0.290429
BFGS:    2 15:18:48      -17.598883         0.085631
BFGS:    3 15:18:48      -17.599913         0.022793
BFGS:    4 15:18:49      -17.599999         0.001265
BFGS:    5 15:18:49      -17.600000         0.000022
BFGS:    6 15:18:49      -17.600000         0.000000
BFGS:    7 15:18:49      -17.600000         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8355560870489666e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.40248509e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5600000561593115, -3.9628560436874974e-32, 7.776234507058142e-33], [-1.2250280714301705e-33, 3.5600000561593115, -6.21440849677386e-19], [2.7459384762879844e-33, -6.214408496773916e-19, 3.5600000561593115]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.83555609e-14  2.83555609e-14  2.83555609e-14  2.55131861e-30
 -2.02618554e-35 -1.60137549e-51]
energy per atom =  -4.399999930392357
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0