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_SunZhangMendelev_2022_Fe__MO_044341472608_000
==== 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 16:53:22       -7.814225         1.834863
BFGS:    1 16:53:22       -7.940588         1.319799
BFGS:    2 16:53:22       -8.042369         0.111759
BFGS:    3 16:53:22       -8.043264         0.017046
BFGS:    4 16:53:22       -8.043285         0.000094
BFGS:    5 16:53:22       -8.043285         0.000000
BFGS:    6 16:53:22       -8.043285         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.232078901732026e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.843642584983829, -2.9269286634342646e-33, 2.771593526029843e-34], [-3.0456854312194146e-33, 2.843642584983829, 5.452596072666132e-19], [-2.2709881937176815e-34, 5.452596072665661e-19, 2.843642584983829]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.23207890e-14  6.23207890e-14  6.23207890e-14 -2.25982350e-32
 -1.27024997e-34  2.80636040e-52]
energy per atom =  -4.021642482175014
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0