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 17:53:15       -7.814225        1.8349
BFGS:    1 17:53:15       -7.940588        1.3198
BFGS:    2 17:53:15       -8.042369        0.1118
BFGS:    3 17:53:15       -8.043264        0.0170
BFGS:    4 17:53:15       -8.043285        0.0001
BFGS:    5 17:53:15       -8.043285        0.0000
BFGS:    6 17:53:15       -8.043285        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.315365342132986e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.84364258498383, 4.371024934526399e-34, -2.474652390676987e-34], [-1.5541044505208035e-33, 2.84364258498383, 8.458298266568701e-19], [1.1456645471172541e-33, 8.458298266568224e-19, 2.84364258498383]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.31536534e-14  6.31536534e-14  6.31536534e-14 -2.74150050e-30
 -1.27024997e-34  1.98918921e-50]
energy per atom =  -4.021642482175023
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0