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_HepburnAckland_2008_FeC__MO_143977152728_005
==== 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 16:57:30      -15.491211        0.4767
BFGS:    1 16:57:30      -15.500615        0.4441
BFGS:    2 16:57:30      -15.550187        0.2218
BFGS:    3 16:57:30      -15.568979        0.0384
BFGS:    4 16:57:30      -15.569609        0.0012
BFGS:    5 16:57:30      -15.569609        0.0001
BFGS:    6 16:57:30      -15.569609        0.0000
BFGS:    7 16:57:30      -15.569609        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1394925982125536e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.15863989e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6584036404003553, 9.575701425735155e-33, -1.0173771404317595e-34], [7.635550453192506e-33, 3.6584036404003553, -5.9091397795585024e-18], [-5.710736238940842e-34, -5.909139779558503e-18, 3.6584036404003553]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.13949260e-11  1.13949260e-11  1.13949260e-11  3.48844477e-28
 -2.87797648e-34 -3.33026602e-51]
energy per atom =  -3.892402278101663
===============================================
==== 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 16:57:32      -15.151931        1.2683
BFGS:    1 16:57:32      -15.217983        1.1618
BFGS:    2 16:57:32      -15.369872        0.8619
BFGS:    3 16:57:32      -15.476122        0.5562
BFGS:    4 16:57:32      -15.539077        0.2924
BFGS:    5 16:57:32      -15.566593        0.0835
BFGS:    6 16:57:32      -15.569502        0.0151
BFGS:    7 16:57:32      -15.569608        0.0011
BFGS:    8 16:57:32      -15.569609        0.0000
BFGS:    9 16:57:32      -15.569609        0.0000
BFGS:   10 16:57:32      -15.569609        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.337528183485687e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.10575993e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.658403640366102, 2.9818503690701138e-33, 3.987474210570961e-34], [4.197190333492303e-33, 3.658403640366102, 1.1120934649676667e-17], [9.047495136489612e-35, 1.1120934649676669e-17, 3.658403640366102]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.33752818e-13  6.33752818e-13  6.33752818e-13 -9.58058734e-30
 -3.06984158e-34  6.67943182e-52]
energy per atom =  -3.8924022781016516
===============================================
==== 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 16:57:33      -15.545861        0.2653
BFGS:    1 16:57:33      -15.548772        0.2467
BFGS:    2 16:57:33      -15.569103        0.0346
BFGS:    3 16:57:33      -15.569594        0.0058
BFGS:    4 16:57:33      -15.569609        0.0002
BFGS:    5 16:57:33      -15.569609        0.0000
BFGS:    6 16:57:33      -15.569609        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.239044536523365e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.658403640403524, 4.3450648682741955e-36, 1.5553933638157986e-32], [-4.463569942972084e-36, 3.658403640403524, -1.0396832287853384e-18], [-7.4129135502776e-33, -1.0396832287853124e-18, 3.658403640403524]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.23904454e-11  1.23904454e-11  1.23904454e-11 -9.34633056e-32
 -1.91865099e-35  2.13022972e-51]
energy per atom =  -3.8924022781016614
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0