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_ZhouJohnsonWadley_2004_Fe__MO_650279905230_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 15:12:49      -16.599391         0.834827
BFGS:    1 15:12:49      -16.627869         0.757626
BFGS:    2 15:12:49      -16.718974         0.467781
BFGS:    3 15:12:49      -16.770542         0.215049
BFGS:    4 15:12:49      -16.782590         0.032012
BFGS:    5 15:12:49      -16.782839         0.002054
BFGS:    6 15:12:49      -16.782840         0.000014
BFGS:    7 15:12:49      -16.782840         0.000000
BFGS:    8 15:12:49      -16.782840         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7534077163502274e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.88574107e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.12315569e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6284290420377903, -6.796375330831694e-33, -1.184939289311372e-32], [-7.905506535888012e-33, 3.6284290420377903, -7.391789529050067e-18], [-1.41484746805314e-32, -7.391789529050067e-18, 3.6284290420377903]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.75340772e-14  3.75340772e-14  3.75340772e-14 -1.40798156e-29
  5.46134968e-34 -2.27907496e-49]
energy per atom =  -4.195709834389353
===============================================
==== 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 15:12:51      -16.371448         1.468875
BFGS:    1 15:12:51      -16.457718         1.274453
BFGS:    2 15:12:51      -16.617110         0.861552
BFGS:    3 15:12:51      -16.719226         0.508220
BFGS:    4 15:12:51      -16.771854         0.200874
BFGS:    5 15:12:51      -16.782686         0.022976
BFGS:    6 15:12:51      -16.782840         0.001101
BFGS:    7 15:12:51      -16.782840         0.000009
BFGS:    8 15:12:51      -16.782840         0.000000
BFGS:    9 15:12:51      -16.782840         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3274006794162126e-14 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 3.31743077e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.99045846e-35]]
cellpar =  Cell([[3.6284290420376952, -1.0796107059960439e-32, -1.4586341686614657e-33], [-1.3264618863067815e-32, 3.6284290420376952, 2.913079374337946e-19], [-3.6228104637561364e-33, 2.913079374337962e-19, 3.6284290420376952]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.32740068e-14 -1.32740068e-14 -1.32740068e-14  1.73860386e-30
  3.90096406e-35 -4.79830914e-51]
energy per atom =  -4.195709834389348
===============================================
==== 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 15:12:52      -16.774867         0.177640
BFGS:    1 15:12:52      -16.776161         0.162282
BFGS:    2 15:12:52      -16.782832         0.005739
BFGS:    3 15:12:52      -16.782840         0.000116
BFGS:    4 15:12:52      -16.782840         0.000001
BFGS:    5 15:12:52      -16.782840         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.581398040118378e-12 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([[3.6284290420253806, -4.2832002044140195e-34, -4.568011743792781e-37], [-3.577928918095168e-34, 3.6284290420253806, 3.395399054173484e-24], [-1.786185955941968e-35, 3.395399054173637e-24, 3.6284290420253806]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.58139804e-12 -6.58139804e-12 -6.58139804e-12 -6.60568966e-29
  1.21905127e-36  8.89503005e-54]
energy per atom =  -4.195709834389344
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0