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&path
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 ngeomi=3,
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 ngeomf=10,
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 nat=3
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 OptProd=T,
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 OptReac=T,
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 prog='siesta',
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 input='xyz',
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 Progexe='./siesta'
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 coord='zmat',
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 maxcyc=31,
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 ireparam=1,
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 Smax=0.02, DynMaxStep=T
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 Hupdate="BFGS"
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 Hinv=T,
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 PathOnly=.F.,
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 AnaGeom=T
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/
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&Analist nb=4 /
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b 1 2
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b 1 3
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b 2 3
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a 1 2 3
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  3
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 Energy :      0.04937364
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 H     0.0000     0.0000     0.0340
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 C     0.0000     0.0000     1.1030
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 N     0.0000     0.0000     2.2631
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  3
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 Energy :      0.04937364
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 H     0.0000     1.1000     1.1030
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 C     0.0000     0.0000     1.1030
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 N     0.0000     0.0000     2.2631
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3
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 CNH
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H 0.000000    0.000000    3.3
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C 0.000000    0.000000    1.1
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N 0.000000    0.000000    2.26
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SystemName          Water molecule
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SystemLabel         h2o-500meV
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NumberOfAtoms       3
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NumberOfSpecies     3
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%block ChemicalSpeciesLabel
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 1  7  N      # Species index, atomic number, species label
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 2  6  C
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 3  1  H
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%endblock ChemicalSpeciesLabel
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AtomicCoordinatesFormat  Ang
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%block AtomicCoordinatesAndAtomicSpecies
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       0.000000   -0.007702   -0.000001  3
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       2.000000    0.000000    0.000000  2
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       0.000000    2.000000    0.000000  1
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%endblock AtomicCoordinatesAndAtomicSpecies
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MeshCutoff  175.0 Ry
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PAO.BasisSize SZ
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PAO.EnergyShift  400.0 meV
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PAO.SplitNorm    0.15
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MD.TypeOfRun   CG
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MD.NumCGSteps  0
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MD.MaxForTol   0.04 eV/Ang
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DM.UseSaveDM  Y
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DM.NumberPulay  4
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DM.MixingWeight  0.50