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 16:19:28      -15.491211         0.476656
BFGS:    1 16:19:28      -15.500615         0.444101
BFGS:    2 16:19:28      -15.550187         0.221797
BFGS:    3 16:19:28      -15.568979         0.038427
BFGS:    4 16:19:28      -15.569609         0.001219
BFGS:    5 16:19:28      -15.569609         0.000053
BFGS:    6 16:19:28      -15.569609         0.000000
BFGS:    7 16:19:28      -15.569609         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1395517719157482e-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 2.10575993e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.658403640400357, 1.836922168043121e-32, -5.5919229572833365e-33], [1.5529340509971063e-32, 3.658403640400357, -6.3424229777657965e-18], [4.193413522523618e-33, -6.342422977765803e-18, 3.658403640400357]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.13955177e-11  1.13955177e-11  1.13955177e-11  1.49707081e-28
 -9.59325493e-36 -3.71345024e-53]
energy per atom =  -3.892402278101655
===============================================
==== 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 16:19:31      -15.151931         1.268338
BFGS:    1 16:19:31      -15.217983         1.161768
BFGS:    2 16:19:31      -15.369872         0.861903
BFGS:    3 16:19:31      -15.476122         0.556183
BFGS:    4 16:19:31      -15.539077         0.292444
BFGS:    5 16:19:31      -15.566593         0.083469
BFGS:    6 16:19:32      -15.569502         0.015065
BFGS:    7 16:19:32      -15.569608         0.001150
BFGS:    8 16:19:32      -15.569609         0.000016
BFGS:    9 16:19:32      -15.569609         0.000000
BFGS:   10 16:19:32      -15.569609         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.333247213820631e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.74058105e-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([[3.6584036403661013, 9.674809828719398e-33, -1.046723812557517e-32], [1.5301877406541313e-32, 3.6584036403661013, -2.0880051617395507e-18], [2.2263037257265115e-32, -2.0880051617395785e-18, 3.6584036403661013]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.33324721e-13  6.33324721e-13  6.33324721e-13  8.39915801e-29
 -1.53492079e-34 -1.95153959e-51]
energy per atom =  -3.8924022781016503
===============================================
==== 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 16:19:34      -15.545861         0.265293
BFGS:    1 16:19:34      -15.548772         0.246704
BFGS:    2 16:19:34      -15.569103         0.034614
BFGS:    3 16:19:34      -15.569594         0.005801
BFGS:    4 16:19:34      -15.569609         0.000199
BFGS:    5 16:19:34      -15.569609         0.000000
BFGS:    6 16:19:34      -15.569609         0.000000
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, 4.345039764278442e-36, 1.3197909762587552e-32], [-4.462766664142365e-36, 3.658403640403524, -1.0396905818275616e-18], [1.684664265696005e-32, -1.0396905818275683e-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  2.75124947e-27
 -1.91865099e-35 -4.26028726e-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