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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 16:57:22      -15.672492        1.8348
BFGS:    1 16:57:22      -15.814285        1.7561
BFGS:    2 16:57:22      -16.054361        1.4158
BFGS:    3 16:57:22      -16.235985        1.0092
BFGS:    4 16:57:22      -16.359585        0.6491
BFGS:    5 16:57:22      -16.433704        0.3478
BFGS:    6 16:57:22      -16.465401        0.0689
BFGS:    7 16:57:22      -16.466500        0.0107
BFGS:    8 16:57:22      -16.466526        0.0004
BFGS:    9 16:57:22      -16.466526        0.0000
BFGS:   10 16:57:22      -16.466526        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6035571822196727e-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 8.80753173e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.40376586e-34]]
cellpar =  Cell([[3.4986963511076516, 4.77720717631228e-34, -1.3966628910932203e-33], [-1.0656944057681303e-33, 3.4986963511076516, -1.8867474061658835e-17], [-7.223559572521925e-33, -1.886747406165884e-17, 3.4986963511076516]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.60355718e-11  2.60355718e-11  2.60355718e-11 -9.36477694e-29
  3.67117229e-35  2.64533359e-52]
energy per atom =  -4.11663141707078
===============================================
==== 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      -16.435372        0.3834
BFGS:    1 16:57:23      -16.441319        0.3406
BFGS:    2 16:57:23      -16.465905        0.0487
BFGS:    3 16:57:23      -16.466512        0.0072
BFGS:    4 16:57:23      -16.466526        0.0002
BFGS:    5 16:57:23      -16.466526        0.0000
BFGS:    6 16:57:23      -16.466526        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.385984351212501e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.91132980e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.37617683e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4986963510494786, 2.1145008143757307e-32, -6.190751535430568e-37], [1.640815094999791e-32, 3.4986963510494786, 4.810651336487467e-19], [9.68095175126239e-36, 4.810651336487465e-19, 3.4986963510494786]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.38598435e-12 -9.38598435e-12 -9.38598435e-12  9.72101702e-31
 -2.56720966e-62 -3.31930085e-60]
energy per atom =  -4.1166314170707885
===============================================
==== 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      -16.363594        0.6071
BFGS:    1 16:57:25      -16.378726        0.5562
BFGS:    2 16:57:25      -16.441649        0.2896
BFGS:    3 16:57:25      -16.466295        0.0302
BFGS:    4 16:57:25      -16.466521        0.0046
BFGS:    5 16:57:25      -16.466526        0.0001
BFGS:    6 16:57:25      -16.466526        0.0000
BFGS:    7 16:57:25      -16.466526        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.100451173813975e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.66687169e-50 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([[3.498696351074913, 5.0315253928541474e-33, -4.88765843436807e-34], [-5.277181716504996e-34, 3.498696351074913, -6.3645578249039856e-18], [-2.5735301608021433e-34, -6.364557824903983e-18, 3.498696351074913]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.10045117e-12  6.10045117e-12  6.10045117e-12 -3.14597188e-28
  1.46846892e-34 -1.09838090e-50]
energy per atom =  -4.116631417070781
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0