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_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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 15:18:44      -16.493093         0.755884
BFGS:    1 15:18:44      -16.517095         0.726009
BFGS:    2 15:18:44      -16.615239         0.577612
BFGS:    3 15:18:44      -16.687627         0.374954
BFGS:    4 15:18:44      -16.723403         0.086973
BFGS:    5 15:18:44      -16.725006         0.017469
BFGS:    6 15:18:44      -16.725070         0.000537
BFGS:    7 15:18:44      -16.725070         0.000003
BFGS:    8 15:18:44      -16.725070         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.5077826826862264e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.33837641e-36]]
cellpar =  Cell([[3.6056635552211724, -6.249688412824508e-33, 2.9701392180006777e-34], [-6.265971699731574e-33, 3.6056635552211724, 7.758436482155075e-20], [-1.3594080334724069e-33, 7.75843648215509e-20, 3.6056635552211724]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.50778268e-11 -4.50778268e-11 -4.50778268e-11  5.81022252e-28
  3.45658205e-35 -1.33234235e-51]
energy per atom =  -4.18126758019869
===============================================
==== 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      -16.389715         1.243852
BFGS:    1 15:18:45      -16.452866         1.124919
BFGS:    2 15:18:45      -16.595695         0.777266
BFGS:    3 15:18:45      -16.685706         0.422796
BFGS:    4 15:18:45      -16.723310         0.085080
BFGS:    5 15:18:45      -16.725055         0.007893
BFGS:    6 15:18:45      -16.725070         0.000224
BFGS:    7 15:18:45      -16.725070         0.000001
BFGS:    8 15:18:45      -16.725070         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.549729119845757e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.74411821e-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([[3.6056635552871543, 1.390807576531272e-33, 1.0084209538960195e-32], [-5.7544632332797095e-33, 3.6056635552871543, 1.1918327827991224e-17], [-9.244572555722422e-33, 1.1918327827991236e-17, 3.6056635552871543]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.54972912e-12 -4.54972912e-12 -4.54972912e-12 -1.25591441e-28
  2.75541549e-60  5.15985607e-61]
energy per atom =  -4.181267580198673
===============================================
==== 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      -16.724819         0.033175
BFGS:    1 15:18:47      -16.724864         0.030042
BFGS:    2 15:18:47      -16.725070         0.000329
BFGS:    3 15:18:47      -16.725070         0.000003
BFGS:    4 15:18:47      -16.725070         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.240549017616954e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.17297051e-37]]
cellpar =  Cell([[3.6056635552418035, -3.4806868287322117e-37, 8.475382689079151e-33], [1.11422136398536e-36, 3.6056635552418035, 2.1137158923762836e-20], [4.133865994167743e-33, 2.1137158923770802e-20, 3.6056635552418035]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.24054902e-11 -3.24054902e-11 -3.24054902e-11  7.19496826e-27
 -1.97518974e-35 -2.19345180e-51]
energy per atom =  -4.1812675801986785
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0