element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:57:25       -7.864552         0.660350
BFGS:    1 10:57:25       -7.872636         0.653354
BFGS:    2 10:57:26       -7.903810         0.574913
BFGS:    3 10:57:26       -7.925144         0.512178
BFGS:    4 10:57:26       -7.938224         0.490683
BFGS:    5 10:57:26       -7.942542         0.327905
BFGS:    6 10:57:26       -7.945999         0.051127
BFGS:    7 10:57:26       -7.946142         0.003401
BFGS:    8 10:57:26       -7.946143         0.000398
BFGS:    9 10:57:26       -7.946143         0.000004
BFGS:   10 10:57:26       -7.946143         0.000000
BFGS:   11 10:57:26       -7.946143         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.9651271675932547e-32 eV/Angstrom
Maximum stress component: 2.559455380939339e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4126700003108073, 3.72395612578469e-18, -5.272866717381965e-37], [-1.2063350001554036, 2.0894335112177687, 2.7061854587775318e-37], [-6.649951231849058e-36, -2.1868983630192395e-35, 4.160927496480035]])
forces =  [[-3.96512717e-32  1.71695043e-32  8.72306409e-69]
 [ 3.96512717e-32 -1.71695043e-32 -8.72306409e-69]]
stress =  [-1.09730925e-12 -1.09730925e-12 -2.55945538e-12  5.31658820e-33
 -6.13906726e-34 -1.03840188e-28]
energy per atom =  -3.9730712571121565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0