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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
==== 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 15:11:40      -17.074805         1.698601
BFGS:    1 15:11:40      -17.189489         1.455189
BFGS:    2 15:11:40      -17.373676         1.014629
BFGS:    3 15:11:40      -17.497567         0.648675
BFGS:    4 15:11:40      -17.572356         0.354023
BFGS:    5 15:11:40      -17.599915         0.024024
BFGS:    6 15:11:40      -17.599990         0.008193
BFGS:    7 15:11:40      -17.600000         0.000133
BFGS:    8 15:11:40      -17.600000         0.000001
BFGS:    9 15:11:40      -17.600000         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.53422204382953e-12 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 8.65586478e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.32793239e-34]]
cellpar =  Cell([[3.5600000561606, 4.0878386561889067e-33, -2.533167816711889e-33], [3.6393165523802746e-33, 3.5600000561606, -1.4106256202593714e-17], [8.126827555519174e-34, -1.4106256202593714e-17, 3.5600000561606]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.53422204e-12  5.53422204e-12  5.53422204e-12  3.53328295e-28
 -6.75335123e-61 -5.60280187e-61]
energy per atom =  -4.399999930392269
===============================================
==== 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 15:11:41      -17.220702         2.524124
BFGS:    1 15:11:41      -17.435126         1.469392
BFGS:    2 15:11:41      -17.572620         0.467708
BFGS:    3 15:11:41      -17.594915         0.182315
BFGS:    4 15:11:42      -17.599750         0.038081
BFGS:    5 15:11:42      -17.599997         0.004015
BFGS:    6 15:11:42      -17.600000         0.000104
BFGS:    7 15:11:42      -17.600000         0.000000
BFGS:    8 15:11:42      -17.600000         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3615390442749246e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.0819831e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.560000056151742, -4.717672969831228e-33, 3.602727724029142e-33], [3.4491890363729954e-32, 3.560000056151742, 5.052437509891315e-18], [-3.090545423367821e-33, 5.052437509891313e-18, 3.560000056151742]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.36153904e-12 -2.36153904e-12 -2.36153904e-12  2.82825890e-29
  1.44502589e-60 -3.44749504e-60]
energy per atom =  -4.399999930392225
===============================================
==== 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 15:11:43      -17.576488         0.315433
BFGS:    1 15:11:43      -17.580585         0.290429
BFGS:    2 15:11:43      -17.598883         0.085631
BFGS:    3 15:11:43      -17.599913         0.022793
BFGS:    4 15:11:43      -17.599999         0.001265
BFGS:    5 15:11:43      -17.600000         0.000022
BFGS:    6 15:11:43      -17.600000         0.000000
BFGS:    7 15:11:43      -17.600000         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7194522862069225e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.17455401e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.08198310e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5600000561544225, 2.009975891329864e-33, 1.5707809288417006e-32], [4.9793472175014e-37, 3.5600000561544225, 2.1860182639060567e-18], [-1.8109711157465526e-32, 2.1860182639060894e-18, 3.5600000561544225]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.71945229e-14  2.71945229e-14  2.71945229e-14 -3.58023536e-30
  3.16591491e-36 -1.68782554e-52]
energy per atom =  -4.399999930392239
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0