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_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_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 16:58:04      -15.942870        0.4252
BFGS:    1 16:58:04      -15.950342        0.3951
BFGS:    2 16:58:04      -15.992745        0.1800
BFGS:    3 16:58:04      -16.006589        0.0514
BFGS:    4 16:58:04      -16.008141        0.0086
BFGS:    5 16:58:04      -16.008177        0.0013
BFGS:    6 16:58:04      -16.008178        0.0000
BFGS:    7 16:58:04      -16.008178        0.0000
BFGS:    8 16:58:04      -16.008178        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5258888600461505e-13 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.10578226e-34]]
cellpar =  Cell([[3.6583648408466143, -2.0081323985183116e-32, 2.546978943298825e-34], [-2.3570300776058784e-33, 3.6583648408466143, 7.801753048693351e-18], [3.365988497408208e-33, 7.801753048693354e-18, 3.6583648408466143]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.52588886e-13 -3.52588886e-13 -3.52588886e-13  8.01238857e-30
  4.31705629e-35 -2.09432355e-51]
energy per atom =  -4.002044591328074
===============================================
==== 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 16:58:05      -15.592291        1.2542
BFGS:    1 16:58:05      -15.657347        1.1652
BFGS:    2 16:58:05      -15.811491        0.8814
BFGS:    3 16:58:05      -15.919313        0.5537
BFGS:    4 16:58:05      -15.980506        0.2749
BFGS:    5 16:58:05      -16.005444        0.0746
BFGS:    6 16:58:05      -16.007975        0.0190
BFGS:    7 16:58:05      -16.008175        0.0024
BFGS:    8 16:58:05      -16.008178        0.0001
BFGS:    9 16:58:05      -16.008178        0.0000
BFGS:   10 16:58:05      -16.008178        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1508057526483661e-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([[3.6583648408026312, -9.971776593918543e-34, 3.494210854359885e-33], [-7.880257551033199e-33, 3.6583648408026312, -4.360782332454603e-17], [-1.206483467831536e-32, -4.360782332454602e-17, 3.6583648408026312]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15080575e-11 -1.15080575e-11 -1.15080575e-11 -4.48416984e-28
 -1.19918230e-36 -9.15087614e-54]
energy per atom =  -4.00204459132812
===============================================
==== 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 16:58:07      -15.986991        0.2455
BFGS:    1 16:58:07      -15.989484        0.2283
BFGS:    2 16:58:07      -16.007376        0.0405
BFGS:    3 16:58:07      -16.008126        0.0099
BFGS:    4 16:58:07      -16.008178        0.0008
BFGS:    5 16:58:07      -16.008178        0.0000
BFGS:    6 16:58:07      -16.008178        0.0000
BFGS:    7 16:58:07      -16.008178        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.930685350677234e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.80546554e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.26445565e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.26445565e-35]]
cellpar =  Cell([[3.6583648408476526, 4.7893218677121526e-33, 1.1432209936244259e-32], [5.729885390094333e-33, 3.6583648408476526, -2.089157735228065e-18], [-8.740821754409072e-33, -2.089157735228049e-18, 3.6583648408476526]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.93068535e-14 -8.93068535e-14 -8.93068535e-14  4.30963614e-30
 -9.59345842e-36  3.40816785e-52]
energy per atom =  -4.002044591328138
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0