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_BonnyCastinBullens_2013_FeW__MO_737567242631_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      -15.942870         0.425162
BFGS:    1 15:11:40      -15.950342         0.395115
BFGS:    2 15:11:40      -15.992745         0.179964
BFGS:    3 15:11:40      -16.006589         0.051423
BFGS:    4 15:11:40      -16.008141         0.008546
BFGS:    5 15:11:40      -16.008177         0.001341
BFGS:    6 15:11:40      -16.008178         0.000026
BFGS:    7 15:11:40      -16.008178         0.000000
BFGS:    8 15:11:40      -16.008178         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.502443855868225e-13 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 1.31611391e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.63222782e-35]]
cellpar =  Cell([[3.6583648409350356, 4.481060847484762e-33, 2.3572204110819623e-33], [2.3358615339099973e-33, 3.6583648409350356, 8.503821575518709e-19], [1.3651421104974034e-33, 8.503821575518729e-19, 3.6583648409350356]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.50244386e-13 -3.50244386e-13 -3.50244386e-13  1.35189315e-29
 -3.35771045e-35  3.53550158e-53]
energy per atom =  -4.002044591324709
===============================================
==== 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 15:11:42      -15.592291         1.254235
BFGS:    1 15:11:42      -15.657347         1.165214
BFGS:    2 15:11:42      -15.811491         0.881380
BFGS:    3 15:11:42      -15.919313         0.553656
BFGS:    4 15:11:42      -15.980506         0.274916
BFGS:    5 15:11:42      -16.005444         0.074596
BFGS:    6 15:11:42      -16.007975         0.019012
BFGS:    7 15:11:42      -16.008175         0.002374
BFGS:    8 15:11:42      -16.008178         0.000099
BFGS:    9 15:11:42      -16.008178         0.000001
BFGS:   10 15:11:42      -16.008178         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1513013227520105e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.74062072e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.57933669e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.89668347e-35]]
cellpar =  Cell([[3.6583648408910228, -1.854833363721487e-34, -7.009488133529401e-34], [-8.379395749438629e-33, 3.6583648408910228, 1.4793626180383876e-18], [-4.4396274157432554e-33, 1.4793626180383868e-18, 3.6583648408910228]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15130132e-11 -1.15130132e-11 -1.15130132e-11 -1.78274519e-27
  7.19509381e-35  5.54251218e-51]
energy per atom =  -4.002044591324685
===============================================
==== 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      -15.986991         0.245549
BFGS:    1 15:11:43      -15.989484         0.228340
BFGS:    2 15:11:43      -16.007376         0.040510
BFGS:    3 15:11:43      -16.008126         0.009899
BFGS:    4 15:11:43      -16.008178         0.000753
BFGS:    5 15:11:43      -16.008178         0.000016
BFGS:    6 15:11:43      -16.008178         0.000000
BFGS:    7 15:11:43      -16.008178         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.922205069790244e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.27304313e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31611391e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.58056956e-36]]
cellpar =  Cell([[3.6583648409360654, 3.107014368802574e-34, -4.0273765861119246e-33], [2.8439655205233082e-33, 3.6583648409360654, 2.9793083111298018e-19], [4.025839940427121e-33, 2.979308311129744e-19, 3.6583648409360654]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.92220507e-14 -8.92220507e-14 -8.92220507e-14 -6.89605193e-33
 -1.32386527e-62  1.95173229e-63]
energy per atom =  -4.002044591324698
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0