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 15:18:43      -16.599391         0.834827
BFGS:    1 15:18:43      -16.627869         0.757626
BFGS:    2 15:18:43      -16.718974         0.467781
BFGS:    3 15:18:43      -16.770542         0.215049
BFGS:    4 15:18:43      -16.782590         0.032012
BFGS:    5 15:18:43      -16.782839         0.002054
BFGS:    6 15:18:43      -16.782840         0.000014
BFGS:    7 15:18:43      -16.782840         0.000000
BFGS:    8 15:18:43      -16.782840         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7291507092820256e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.54296427e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.65394462e-35]]
cellpar =  Cell([[3.62842904203779, -1.4610850007877356e-32, -1.0501251228171912e-33], [-2.046877274357265e-32, 3.62842904203779, -1.2517647797381008e-18], [-6.502249438429873e-33, -1.2517647797380954e-18, 3.62842904203779]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.72915071e-14 3.72915071e-14 3.72915071e-14 3.65731979e-30
 1.09714614e-35 5.75874878e-52]
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 15:18:45      -16.371448         1.468875
BFGS:    1 15:18:45      -16.457718         1.274453
BFGS:    2 15:18:45      -16.617110         0.861552
BFGS:    3 15:18:45      -16.719226         0.508220
BFGS:    4 15:18:45      -16.771854         0.200874
BFGS:    5 15:18:45      -16.782686         0.022976
BFGS:    6 15:18:45      -16.782840         0.001101
BFGS:    7 15:18:45      -16.782840         0.000009
BFGS:    8 15:18:45      -16.782840         0.000000
BFGS:    9 15:18:45      -16.782840         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2934532612374381e-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 5.30788923e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6284290420376957, -2.3167973091963834e-33, 5.811555814305336e-34], [-3.2652814295366074e-33, 3.6284290420376957, -1.7866929998959053e-18], [-1.1224332172446941e-33, -1.7866929998959056e-18, 3.6284290420376957]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.29345326e-14 -1.29345326e-14 -1.29345326e-14 -2.52901458e-31
  6.09525634e-37  1.16766349e-53]
energy per atom =  -4.195709834389347
===============================================
==== 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 15:18:46      -16.774867         0.177640
BFGS:    1 15:18:46      -16.776161         0.162282
BFGS:    2 15:18:46      -16.782832         0.005739
BFGS:    3 15:18:46      -16.782840         0.000116
BFGS:    4 15:18:46      -16.782840         0.000001
BFGS:    5 15:18:46      -16.782840         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.5813980401183735e-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, 1.4154443129498399e-34, 4.374087855292481e-33], [-7.926408991552242e-33, 3.6284290420253806, -6.415578188371204e-23], [2.1931848652176284e-33, -6.415578188201347e-23, 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 -2.61493440e-27
  1.21905127e-36  4.18404596e-52]
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