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 15:13:06      -15.825094         1.005882
BFGS:    1 15:13:06      -15.865663         0.877096
BFGS:    2 15:13:06      -15.964837         0.449167
BFGS:    3 15:13:06      -16.001515         0.040147
BFGS:    4 15:13:06      -16.001801         0.001456
BFGS:    5 15:13:06      -16.001801         0.000010
BFGS:    6 15:13:06      -16.001801         0.000000
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 15:13:08      -15.496630         0.652256
BFGS:    1 15:13:08      -15.516117         0.740049
BFGS:    2 15:13:08      -15.651710         1.011863
BFGS:    3 15:13:08      -15.802897         0.949957
BFGS:    4 15:13:08      -15.924994         0.645472
BFGS:    5 15:13:08      -15.990688         0.236471
BFGS:    6 15:13:08      -16.001714         0.020445
BFGS:    7 15:13:08      -16.001801         0.000819
BFGS:    8 15:13:08      -16.001801         0.000003
BFGS:    9 15:13:08      -16.001801         0.000000
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 15:13:10      -15.954405         0.523853
BFGS:    1 15:13:10      -15.965404         0.456176
BFGS:    2 15:13:10      -16.001568         0.034975
BFGS:    3 15:13:10      -16.001800         0.002421
BFGS:    4 15:13:10      -16.001801         0.000015
BFGS:    5 15:13:10      -16.001801         0.000000
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