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_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_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 15:18:44      -15.942870         0.425162
BFGS:    1 15:18:44      -15.950342         0.395115
BFGS:    2 15:18:44      -15.992745         0.179964
BFGS:    3 15:18:44      -16.006589         0.051415
BFGS:    4 15:18:44      -16.008141         0.008556
BFGS:    5 15:18:44      -16.008177         0.001345
BFGS:    6 15:18:45      -16.008178         0.000026
BFGS:    7 15:18:45      -16.008178         0.000000
BFGS:    8 15:18:45      -16.008178         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.533934723167972e-13 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([[3.6583648418719807, -4.699766802400754e-33, 1.0337240754785124e-34], [-3.442890544662569e-33, 3.6583648418719807, 2.5519246324823307e-19], [-7.429075479876621e-34, 2.5519246324823374e-19, 3.6583648418719807]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.53393472e-13 -3.53393472e-13 -3.53393472e-13  2.72173366e-30
  5.99591151e-36  4.46273567e-53]
energy per atom =  -4.00204459132595
===============================================
==== 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 15:18:46      -15.592291         1.254235
BFGS:    1 15:18:46      -15.657347         1.165214
BFGS:    2 15:18:46      -15.811491         0.881380
BFGS:    3 15:18:46      -15.919313         0.553656
BFGS:    4 15:18:46      -15.980506         0.274916
BFGS:    5 15:18:46      -16.005444         0.074596
BFGS:    6 15:18:46      -16.007975         0.019012
BFGS:    7 15:18:46      -16.008175         0.002374
BFGS:    8 15:18:46      -16.008178         0.000099
BFGS:    9 15:18:46      -16.008178         0.000001
BFGS:   10 15:18:46      -16.008178         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1496752864073404e-11 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 1.26346935e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.658364841828045, -3.5911833533911246e-32, 1.7367792611446198e-32], [-3.780242553780154e-32, 3.658364841828045, 2.2127631769590822e-17], [2.753828532409815e-32, 2.2127631769590812e-17, 3.658364841828045]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14967529e-11 -1.14967529e-11 -1.14967529e-11 -1.49361361e-27
  1.53495335e-34  3.86289231e-50]
energy per atom =  -4.002044591325956
===============================================
==== 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 15:18:47      -15.986991         0.245549
BFGS:    1 15:18:47      -15.989484         0.228340
BFGS:    2 15:18:47      -16.007376         0.040510
BFGS:    3 15:18:47      -16.008126         0.009899
BFGS:    4 15:18:48      -16.008178         0.000753
BFGS:    5 15:18:48      -16.008178         0.000016
BFGS:    6 15:18:48      -16.008178         0.000000
BFGS:    7 15:18:48      -16.008178         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.951070197833178e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.22739117e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6583648418730226, -1.5374021947803472e-32, 9.812359026105639e-34], [2.733556379876135e-34, 3.6583648418730226, 2.9005764525476143e-18], [4.136987958289691e-33, 2.900576452547618e-18, 3.6583648418730226]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.95107020e-14 -8.95107020e-14 -8.95107020e-14 -1.72825337e-29
  2.82516508e-62 -4.84906432e-63]
energy per atom =  -4.002044591325937
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0