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_Marinica_2011_Fe__MO_255315407910_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 16:57:39      -15.825094        1.0059
BFGS:    1 16:57:39      -15.865663        0.8771
BFGS:    2 16:57:39      -15.964837        0.4492
BFGS:    3 16:57:39      -16.001515        0.0401
BFGS:    4 16:57:39      -16.001801        0.0015
BFGS:    5 16:57:39      -16.001801        0.0000
BFGS:    6 16:57:39      -16.001801        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.972598752064483e-10 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([[3.6568684753987024, 3.3897340059027194e-33, -7.392479965230941e-35], [-2.8115042301126435e-34, 3.6568684753987024, -1.060247885253886e-17], [1.0617501489490874e-33, -1.060247885253886e-17, 3.6568684753987024]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.97259875e-10  1.97259875e-10  1.97259875e-10  2.65724892e-27
  3.84052447e-35 -3.45496623e-51]
energy per atom =  -4.000450301847586
===============================================
==== 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 16:57:41      -15.496630        0.6523
BFGS:    1 16:57:41      -15.516117        0.7400
BFGS:    2 16:57:41      -15.651710        1.0119
BFGS:    3 16:57:41      -15.802897        0.9500
BFGS:    4 16:57:41      -15.924994        0.6455
BFGS:    5 16:57:41      -15.990688        0.2365
BFGS:    6 16:57:41      -16.001714        0.0204
BFGS:    7 16:57:41      -16.001801        0.0008
BFGS:    8 16:57:41      -16.001801        0.0000
BFGS:    9 16:57:41      -16.001801        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.082893304103517e-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([[3.6568684750674225, -1.731113049298939e-32, -9.711436657256046e-33], [-1.581149799483733e-32, 3.6568684750674225, -4.767233362735349e-18], [-6.974777563026532e-33, -4.7672333627353584e-18, 3.6568684750674225]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.08289330e-11 -4.08289330e-11 -4.08289330e-11  2.52667741e-27
 -4.80065559e-36  1.62604093e-52]
energy per atom =  -4.000450301847588
===============================================
==== 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 16:57:43      -15.954405        0.5239
BFGS:    1 16:57:43      -15.965404        0.4562
BFGS:    2 16:57:43      -16.001568        0.0350
BFGS:    3 16:57:43      -16.001800        0.0024
BFGS:    4 16:57:43      -16.001801        0.0000
BFGS:    5 16:57:43      -16.001801        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.291801878614322e-10 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 6.58326228e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.656868474387924, -1.1720136999038011e-32, 2.3041400567878586e-33], [4.500054120414746e-33, 3.656868474387924, 3.5440051026949465e-19], [-2.092397815138291e-32, 3.544005102695156e-19, 3.656868474387924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.29180188e-10 -5.29180188e-10 -5.29180188e-10  1.81697230e-27
  7.68104895e-35 -9.79792956e-51]
energy per atom =  -4.000450301847571
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0