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_Olsson_2009_Fe__MO_024705128470_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 15:12:50      -16.811266         0.605237
BFGS:    1 15:12:50      -16.826256         0.550622
BFGS:    2 15:12:50      -16.885264         0.236768
BFGS:    3 15:12:50      -16.898650         0.001052
BFGS:    4 15:12:50      -16.898650         0.000014
BFGS:    5 15:12:50      -16.898650         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.356542017224293e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.32512121e-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([[3.678452125102388, -2.1075715036147766e-33, 7.330696534855705e-34], [-8.023546328796038e-34, 3.678452125102388, 7.169325814090394e-20], [1.8544735297761133e-33, 7.169325814090453e-20, 3.678452125102388]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [9.35654202e-11 9.35654202e-11 9.35654202e-11 3.78936268e-28
 3.79558745e-35 5.70266116e-51]
energy per atom =  -4.224662396180686
===============================================
==== 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 15:12:51      -16.219004         1.922775
BFGS:    1 15:12:51      -16.366099         1.651240
BFGS:    2 15:12:51      -16.580073         1.212896
BFGS:    3 15:12:51      -16.733004         0.835279
BFGS:    4 15:12:51      -16.833061         0.505760
BFGS:    5 15:12:51      -16.886493         0.211466
BFGS:    6 15:12:51      -16.898591         0.014536
BFGS:    7 15:12:51      -16.898650         0.000326
BFGS:    8 15:12:51      -16.898650         0.000000
BFGS:    9 15:12:51      -16.898650         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.96013589862949e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.72019394e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.18856601e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.678452124924628, 2.934846664751487e-33, -3.4040681472917925e-33], [7.537779228641825e-33, 3.678452124924628, 1.012978272369385e-17], [-8.035661574709376e-34, 1.0129782723693851e-17, 3.678452124924628]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.96013590e-13 -9.96013590e-13 -9.96013590e-13  1.27230604e-28
 -1.20002947e-36  7.41782106e-53]
energy per atom =  -4.224662396180692
===============================================
==== 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 15:12:53      -16.831428         0.534989
BFGS:    1 15:12:53      -16.843105         0.483710
BFGS:    2 15:12:53      -16.891579         0.167681
BFGS:    3 15:12:53      -16.898623         0.010208
BFGS:    4 15:12:53      -16.898650         0.000166
BFGS:    5 15:12:53      -16.898650         0.000000
BFGS:    6 15:12:53      -16.898650         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5949683731142013e-13 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([[3.6784521249262006, 1.3984997888952728e-33, 9.213465223202182e-33], [-2.7977742110808493e-33, 3.6784521249262006, 7.675710990080455e-19], [1.3823976905691505e-32, 7.675710990080372e-19, 3.6784521249262006]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.59496837e-13 -1.59496837e-13 -1.59496837e-13 -3.40355319e-29
 -6.60881012e-62  4.83630516e-62]
energy per atom =  -4.224662396180688
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0