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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 16:57:23      -17.074805        1.6986
BFGS:    1 16:57:23      -17.189489        1.4552
BFGS:    2 16:57:23      -17.373676        1.0146
BFGS:    3 16:57:23      -17.497567        0.6487
BFGS:    4 16:57:23      -17.572356        0.3540
BFGS:    5 16:57:23      -17.599915        0.0240
BFGS:    6 16:57:23      -17.599990        0.0082
BFGS:    7 16:57:23      -17.600000        0.0001
BFGS:    8 16:57:23      -17.600000        0.0000
BFGS:    9 16:57:23      -17.600000        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.534209155524203e-12 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([[3.5600000561654865, 6.82093961827746e-33, -1.0550749001307256e-34], [7.444289169147659e-33, 3.560000056165487, 1.0133502429044934e-17], [-3.5748098539507944e-34, 1.0133502429044932e-17, 3.560000056165487]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.53420916e-12  5.53420916e-12  5.53420916e-12 -2.42216129e-29
 -2.53273193e-36  3.08780695e-53]
energy per atom =  -4.39999993039239
===============================================
==== 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 16:57:24      -17.220702        2.5241
BFGS:    1 16:57:24      -17.435126        1.4694
BFGS:    2 16:57:24      -17.572620        0.4677
BFGS:    3 16:57:24      -17.594915        0.1823
BFGS:    4 16:57:24      -17.599750        0.0381
BFGS:    5 16:57:24      -17.599997        0.0040
BFGS:    6 16:57:24      -17.600000        0.0001
BFGS:    7 16:57:24      -17.600000        0.0000
BFGS:    8 16:57:25      -17.600000        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3605015719645844e-12 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([[3.560000056156634, 1.928594012722353e-32, -1.946663570039308e-33], [1.9055178891431242e-32, 3.560000056156634, 5.112257816731054e-19], [-3.759062968180908e-34, 5.112257816731044e-19, 3.560000056156634]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.36050157e-12 -2.36050157e-12 -2.36050157e-12  3.34529424e-29
  1.48247540e-61 -1.79783745e-60]
energy per atom =  -4.399999930392397
===============================================
==== 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 16:57:26      -17.576488        0.3154
BFGS:    1 16:57:26      -17.580585        0.2904
BFGS:    2 16:57:26      -17.598883        0.0856
BFGS:    3 16:57:26      -17.599913        0.0228
BFGS:    4 16:57:26      -17.599999        0.0013
BFGS:    5 16:57:26      -17.600000        0.0000
BFGS:    6 16:57:26      -17.600000        0.0000
BFGS:    7 16:57:26      -17.600000        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6301151012040103e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.84397615e-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([[3.5600000561593097, -4.5903825268755074e-32, 7.252863364820256e-33], [-1.5434617374604607e-32, 3.5600000561593097, -6.213869529428749e-19], [2.302026549809105e-33, -6.213869529428766e-19, 3.5600000561593097]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.63011510e-14 2.63011510e-14 2.63011510e-14 4.62847340e-31
 1.39526164e-62 5.64312321e-63]
energy per atom =  -4.399999930392357
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0