element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:23       -8.088754         1.282851
BFGS:    1 16:53:23       -8.152952         1.042910
BFGS:    2 16:53:23       -8.243938         0.113793
BFGS:    3 16:53:23       -8.244856         0.013894
BFGS:    4 16:53:23       -8.244870         0.000027
BFGS:    5 16:53:23       -8.244870         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.393701085622973e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.855324619445597, -7.303661081753671e-33, -4.452410115990396e-33], [-1.628654916521002e-32, 2.855324619445597, -1.833001648324692e-17], [-5.9883703898286805e-33, -1.8330016483246972e-17, 2.855324619445597]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.39370109e-10  5.39370109e-10  5.39370109e-10  1.39640418e-26
 -7.87423281e-36 -4.97775690e-52]
energy per atom =  -4.1224351007327815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0