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 16:57:22      -15.942870        0.4252
BFGS:    1 16:57:22      -15.950342        0.3951
BFGS:    2 16:57:22      -15.992745        0.1800
BFGS:    3 16:57:22      -16.006589        0.0514
BFGS:    4 16:57:22      -16.008141        0.0086
BFGS:    5 16:57:22      -16.008177        0.0013
BFGS:    6 16:57:22      -16.008178        0.0000
BFGS:    7 16:57:22      -16.008178        0.0000
BFGS:    8 16:57:22      -16.008178        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5363940413416257e-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([[3.6583648418719803, 3.6302749909810074e-32, -1.640882299740283e-33], [2.1353093732420444e-32, 3.6583648418719803, -1.419792445547712e-19], [1.474961223635347e-32, -1.419792445547862e-19, 3.6583648418719803]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.53639404e-13 -3.53639404e-13 -3.53639404e-13  1.30530318e-29
  6.47590308e-63  9.10709858e-61]
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 16:57:23      -15.592291        1.2542
BFGS:    1 16:57:23      -15.657347        1.1652
BFGS:    2 16:57:23      -15.811491        0.8814
BFGS:    3 16:57:24      -15.919313        0.5537
BFGS:    4 16:57:24      -15.980506        0.2749
BFGS:    5 16:57:24      -16.005444        0.0746
BFGS:    6 16:57:24      -16.007975        0.0190
BFGS:    7 16:57:24      -16.008175        0.0024
BFGS:    8 16:57:24      -16.008178        0.0001
BFGS:    9 16:57:24      -16.008178        0.0000
BFGS:   10 16:57:24      -16.008178        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1497084689636994e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.12218621e-48 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([[3.6583648418280443, 1.8532028645615732e-32, -1.0026103183540635e-32], [1.9315218559937685e-32, 3.6583648418280443, -6.0816142106042845e-18], [1.085512819583576e-32, -6.0816142106042945e-18, 3.6583648418280443]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14970847e-11 -1.14970847e-11 -1.14970847e-11 -3.55018674e-32
  1.19918230e-36 -3.97940986e-54]
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 16:57:25      -15.986991        0.2455
BFGS:    1 16:57:25      -15.989484        0.2283
BFGS:    2 16:57:25      -16.007376        0.0405
BFGS:    3 16:57:25      -16.008126        0.0099
BFGS:    4 16:57:25      -16.008178        0.0008
BFGS:    5 16:57:25      -16.008178        0.0000
BFGS:    6 16:57:25      -16.008178        0.0000
BFGS:    7 16:57:25      -16.008178        0.0000
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.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6583648418730226, -2.1305427134189885e-32, 1.017641186851407e-33], [-1.0677251848635213e-32, 3.6583648418730226, 2.900407675161539e-18], [5.297198900038382e-33, 2.900407675161543e-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 -1.64623408e-29
  4.04549853e-62 -1.12225930e-61]
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