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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 15:16:48      -17.087330         1.468809
BFGS:    1 15:16:48      -17.176066         1.349744
BFGS:    2 15:16:48      -17.356222         1.048128
BFGS:    3 15:16:48      -17.489236         0.721158
BFGS:    4 15:16:48      -17.571296         0.368712
BFGS:    5 15:16:48      -17.598572         0.009471
BFGS:    6 15:16:48      -17.598589         0.000380
BFGS:    7 15:16:48      -17.598589         0.000001
BFGS:    8 15:16:48      -17.598589         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1930075905531763e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.68361940e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.32549318e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5620075904893342, 1.7924581920955607e-32, 4.865621125507448e-33], [2.0739972211380407e-32, 3.5620075904893342, 2.6459666875969727e-17], [9.493598199528577e-34, 2.645966687596971e-17, 3.5620075904893342]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.19300759e-12 -3.19300759e-12 -3.19300759e-12 -1.37325722e-28
  4.04780457e-35 -3.26954047e-52]
energy per atom =  -4.399647222929184
===============================================
==== 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 15:16:50      -17.324840         1.859256
BFGS:    1 15:16:50      -17.447426         1.239561
BFGS:    2 15:16:50      -17.566843         0.430500
BFGS:    3 15:16:50      -17.590739         0.189678
BFGS:    4 15:16:50      -17.598111         0.046036
BFGS:    5 15:16:50      -17.598588         0.001480
BFGS:    6 15:16:50      -17.598589         0.000012
BFGS:    7 15:16:50      -17.598589         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.06287534938527e-10 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([[3.562007590054652, 1.3326918899450166e-33, 2.3462297804707814e-34], [2.1939930263554e-33, 3.562007590054652, 1.406627814228746e-18], [-4.160448420914599e-34, 1.4066278142287464e-18, 3.562007590054652]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.06287535e-10 -3.06287535e-10 -3.06287535e-10  4.78117446e-27
 -4.55378015e-35  1.25879576e-51]
energy per atom =  -4.399647222929184
===============================================
==== 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 15:16:51      -17.578793         0.301011
BFGS:    1 15:16:51      -17.582489         0.271964
BFGS:    2 15:16:51      -17.598575         0.008180
BFGS:    3 15:16:51      -17.598589         0.000261
BFGS:    4 15:16:51      -17.598589         0.000000
BFGS:    5 15:16:51      -17.598589         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4902951081307817e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.91137141e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.28014305e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5620075904917767, 7.822032938274001e-33, 4.267347791933044e-33], [1.4421669888295117e-34, 3.5620075904917767, -9.397150324766433e-22], [-9.277209612630012e-33, -9.397150324655773e-22, 3.5620075904917767]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.49029511e-12 -1.49029511e-12 -1.49029511e-12  1.23129989e-28
  4.04780457e-35  1.37832918e-51]
energy per atom =  -4.39964722292919
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0