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_Marinica_2007_Fe__MO_466808877130_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 16:19:36      -15.975415         0.198697
BFGS:    1 16:19:36      -15.977073         0.190675
BFGS:    2 16:19:36      -15.997915         0.075627
BFGS:    3 16:19:36      -15.999166         0.058885
BFGS:    4 16:19:36      -16.000264         0.006385
BFGS:    5 16:19:36      -16.000278         0.000439
BFGS:    6 16:19:36      -16.000278         0.000004
BFGS:    7 16:19:36      -16.000278         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.697724949456036e-10 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 1.04090945e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.04090945e-34]]
cellpar =  Cell([[3.7004754898693077, -1.3511672482971348e-32, 5.1722514130001545e-33], [-1.822892539042069e-32, 3.7004754898693077, -3.29276079161813e-18], [1.2249533476790631e-33, -3.2927607916181326e-18, 3.7004754898693077]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.69772495e-10 1.69772495e-10 1.69772495e-10 2.93324457e-27
 2.93011175e-37 4.95583642e-54]
energy per atom =  -4.000069550269773
===============================================
==== 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 16:19:38      -15.335723         1.097063
BFGS:    1 16:19:39      -15.388493         1.145031
BFGS:    2 16:19:39      -15.565781         1.191842
BFGS:    3 16:19:39      -15.737916         1.074241
BFGS:    4 16:19:39      -15.877625         0.752222
BFGS:    5 16:19:39      -15.961192         0.379583
BFGS:    6 16:19:39      -15.996342         0.105160
BFGS:    7 16:19:39      -16.000023         0.025195
BFGS:    8 16:19:39      -16.000275         0.002800
BFGS:    9 16:19:39      -16.000278         0.000094
BFGS:   10 16:19:39      -16.000278         0.000000
BFGS:   11 16:19:39      -16.000278         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.423596025707814e-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([[3.7004754893725256, -1.526488818683703e-32, -5.385167692603897e-33], [-8.59937797929741e-33, 3.7004754893725265, 1.4871817121575145e-17], [3.7140442517998855e-33, 1.4871817121575142e-17, 3.7004754893725256]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.42359603e-12 -4.42359603e-12 -4.42359603e-12  1.56393233e-28
  1.64086258e-35 -2.68613566e-52]
energy per atom =  -4.000069550269756
===============================================
==== 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 16:19:41      -15.900370         0.692021
BFGS:    1 16:19:41      -15.919642         0.608281
BFGS:    2 16:19:41      -15.982680         0.250540
BFGS:    3 16:19:41      -15.998802         0.065265
BFGS:    4 16:19:41      -16.000220         0.012448
BFGS:    5 16:19:41      -16.000278         0.000928
BFGS:    6 16:19:41      -16.000278         0.000015
BFGS:    7 16:19:41      -16.000278         0.000000
BFGS:    8 16:19:41      -16.000278         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.444267443024671e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.69805322e-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([[3.700475489385044, 7.253139267018855e-32, 7.532336883310139e-34], [5.0530166500587184e-33, 3.700475489385044, -2.5562648381660697e-17], [-5.189832820934095e-34, -2.5562648381660694e-17, 3.700475489385044]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.44426744e-14 -3.44426744e-14 -3.44426744e-14 -4.33427141e-32
  1.31269007e-34 -8.75516428e-52]
energy per atom =  -4.000069550269786
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0