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_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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 16:57:21      -16.493093        0.7559
BFGS:    1 16:57:21      -16.517095        0.7260
BFGS:    2 16:57:21      -16.615239        0.5776
BFGS:    3 16:57:21      -16.687627        0.3750
BFGS:    4 16:57:21      -16.723403        0.0870
BFGS:    5 16:57:21      -16.725006        0.0175
BFGS:    6 16:57:21      -16.725070        0.0005
BFGS:    7 16:57:21      -16.725070        0.0000
BFGS:    8 16:57:21      -16.725070        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.507773850536509e-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([[3.6056635552211724, 4.840391380815814e-34, -7.370798721603564e-35], [1.0802247870959133e-33, 3.6056635552211724, 4.0737527821677727e-19], [4.64085261131671e-34, 4.0737527821677736e-19, 3.6056635552211724]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.50777385e-11 -4.50777385e-11 -4.50777385e-11 -1.67090739e-27
 -1.97518974e-35 -8.66134716e-52]
energy per atom =  -4.181267580198693
===============================================
==== 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 16:57:22      -16.389715        1.2439
BFGS:    1 16:57:22      -16.452866        1.1249
BFGS:    2 16:57:22      -16.595695        0.7773
BFGS:    3 16:57:22      -16.685706        0.4228
BFGS:    4 16:57:22      -16.723310        0.0851
BFGS:    5 16:57:22      -16.725055        0.0079
BFGS:    6 16:57:22      -16.725070        0.0002
BFGS:    7 16:57:22      -16.725070        0.0000
BFGS:    8 16:57:22      -16.725070        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.549616546942969e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.89764729e-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([[3.605663555287155, 1.0704031957815088e-32, -1.2085081515617588e-33], [8.650295806197236e-33, 3.605663555287155, 9.543294524314654e-18], [9.39110962824779e-34, 9.543294524314652e-18, 3.605663555287155]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.54961655e-12 -4.54961655e-12 -4.54961655e-12  3.59856133e-29
  7.40696154e-35 -2.42564316e-53]
energy per atom =  -4.181267580198675
===============================================
==== 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 16:57:24      -16.724819        0.0332
BFGS:    1 16:57:24      -16.724864        0.0300
BFGS:    2 16:57:24      -16.725070        0.0003
BFGS:    3 16:57:24      -16.725070        0.0000
BFGS:    4 16:57:24      -16.725070        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.240549017616952e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.79529457e-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([[3.6056635552418035, -1.8232336755195748e-32, -8.781896989578947e-33], [-1.8230874464966497e-32, 3.6056635552418035, 2.1137158923781066e-20], [8.313851040836968e-34, 2.1137158923771942e-20, 3.6056635552418035]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.24054902e-11 -3.24054902e-11 -3.24054902e-11 -2.66143812e-29
 -1.97518974e-35 -1.16572313e-51]
energy per atom =  -4.1812675801986785
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0