ADFinput version
2010.02

Number of atoms
2

Number of bonds
1

Atom data
0,1 0.00854833506052
0,2 0.288945586585
0,3 -0.0679371594366
0,conns 10
0,element Cr
0,property,Name Cr(1)
0,property,SurfaceRadius 1.875
0,property,TriposType Cr
1,1 -0.539829765433
1,2 0.260854530605
1,3 -1.57076527712
1,conns 10
1,element Cr
1,property,Name Cr(2)
1,property,SurfaceRadius 1.875
1,property,TriposType Cr
DUMMYELEMENT {}

Bond data
0,1 1
0,2 0
0,order 1.0
DUMMYELEMENT {}

Number of groups
0

Group data
DUMMYELEMENT {}

Properties
{AtomType Name SurfaceRadius TriposType}

Solvent method
Allinger

Bond Properties
{}

Dialog values
Pdb::pdbfile {}
Pdb::solvent None
Pdb::solventbox Sphere
Pdb::solventsize +6.0
Untitled,charge 0.0
Untitled,fragfile {}
a1fit.atomicseperation {}
adfesr 0
allow.0_badscf 0
allow.1_closeatoms 0
allow.2_relgeo 0
allow.3_smallblocks 0
allow.4_xc 0
allpoints 0
aoresponse.vroa 0
atomsnmr,0,1 1
atomsnmr,0,2 1
atomsnmr,0,3 1
atomsnmr,1,1 1
atomsnmr,1,2 0
atomsnmr,1,3 1
atomsnmr,n 2
bader.calculate 0
bader.energies 0
bader.savebasins 0
basis,At {}
basis.createoutput 0
basis.path {}
basis.typebyregion 0
basisdoc {}
charge.0_netq 0.0
charge.1_abeta 0.0
cpl.1_yes 0
cpl.dso 0
cpl.fc 1
cpl.gamma.iatom {}
cpl.gamma.value {}
cpl.orbital 0
cpl.orbitalcrit 1e19
cpl.pso 0
cpl.scf.1iter {}
cpl.scf.3conv {}
cpl.sd 0
cpl.xalpha 0
densf.dens 0
densf.elf 0
densf.frag 0
densf.grid Coarse
densf.homo 0
densf.lumo 0
densf.pot 0
dependency.0+bas {}
dependency.1yes 0
dftb.addtojob 0
dftb.gconv {}
dftb.parameters {}
dftb.runtype GeometryOptimization
dftb.showoutput 0
dftb.skipadf 0
dftb.unlocked 1
dftb.usertext {$ADFBIN/dftb << eor<CR><CR>ATOMS<CR>END<CR><CR>CHARGE 0<CR><CR>GEOMETRY<CR>  RunType GO<CR>END<CR>eor<CR>}
disk.0_fit 0
disk.1_basis 0
efg 0
efield.0_+ex 0.0
efield.0_+ey 0.0
efield.0_+ez 0.0
epr.alpha {}
epr.epresr 0
epr.ghost {}
epr.nmr 0
epr.xckernel X-alpha
exactdensity.xcpot Fitted
excitation.cd 0
excitation.diagmethod Davidson
excitation.ehighocc {}
excitation.ehighoccvirt {}
excitation.ehighvirt {}
excitation.elowocc {}
excitation.elowoccvirt {}
excitation.elowvirt {}
excitation.lowest {}
excitation.type None
excitation.velocity 0
excitedgo.dipole 0
excitedgo.excitation {}
excitedgo.type Singlet
fcf.mode1 {}
fcf.mode2 {}
fcf.quanta1 0
fcf.quanta2 20
fcf.rotate 1
fcf.spectrum.from 0
fcf.spectrum.nsteps 1000
fcf.spectrum.to 20000
fcf.state {}
fcf.translate 1
fcf.yes 0
fde.approximant PW91K
fde.cjcorr {}
fde.details 0
fde.energy 0
fde.fullgrid 0
fde.ggapotcfd implicit
fde.ggapotxfd implicit
fde.relax {}
fde.relaxpostscf 0
fit.adddiffuse 0
forcealda 0
fragments 0
fragments.checkcharges 1
fragmetaggatoten 0
frozen,DUMMYELEMENT {}
fullfock 0
fullscf 0
general.0basistype TZP
general.0coretype None
general.fittype Auto
geometry.0runtype SinglePoint
geometry.0smooth None
geometry.branch AUTO
geometry.branch.used New
geometry.constraints.convergence FullConverge
geometry.converge.1e {}
geometry.converge.2grad {}
geometry.converge.3rad {}
geometry.converge.4angle {}
geometry.frequencies.0allowed 0
geometry.frequencies.0symm 0
geometry.frequencies.1numdif 2
geometry.frequencies.2disrad {}
geometry.frequencies.3disang {}
geometry.frequencies.partialhessian {}
geometry.frequencies.ramanrange 0
geometry.frequencies.ramanrangeHigh 10000
geometry.frequencies.ramanrangeLow 0
geometry.frequencies.scan 1
geometry.frequencies.scanHigh 0
geometry.frequencies.scanLow -1000
geometry.frequencies.sd Yes
geometry.frequencies.vcd 0
geometry.hessupd.1_hessupd AUTO
geometry.irc.1_forward 1
geometry.irc.2_backward 1
geometry.irc.3n {}
geometry.irc.4step {}
geometry.irc.5start HESS
geometry.irc.6_startn 1
geometry.irc.7stepmin {}
geometry.irc.8stepmax {}
geometry.iterations.1_niter {}
geometry.iterations.2_niter2 {}
geometry.lineartransit.1_npoints {}
geometry.mopachessian 0
geometry.ntransit 0
geometry.opt.freq 0
geometry.optim Cartesian
geometry.optim.1_range All
geometry.step.1rad {}
geometry.step.2ang {}
geometry.transitionstate.1mode 1
geometry.ts.freq 0
hyperpol.calculate 0
integermemblock.0_+val {}
integration.0_acc1 {}
integration.1_acc2 {}
integration.2_acc3 {}
linearscaling.2_epsfit {}
linearscaling.3_ovint {}
linearscaling.4_epsvc {}
linearscaling.5_epsmp {}
linearscaling.6_progconv {}
locorb 0
logicalmemblock.0_+val {}
ltcoords,cmat,n 0
ltcoords,zmat,n 0
magnetic.accel 1
magnetic.calculate None
magnetic.conv {}
magnetic.cyc 1
magnetic.fitaoderiv 0
magnetic.frqbeg {}
magnetic.frqend {}
magnetic.frqunits eV
magnetic.giao 0
magnetic.lifetime {}
magnetic.nfreq {}
magnetic.niter {}
magnetic.old 0
magnetic.xc ALDA
main.0_template {Single Point}
maxmemoryusage.0_+val {}
mbh.blocks {}
mcd.ab 0
mcd.b1 {}
mcd.b2 {}
mcd.c 0
mcd.direct 1
mcd.mcdout Minimal
mcd.nb {}
mcd.nmcdterm {}
mcd.nt {}
mcd.select {}
mcd.t1 {}
mcd.t2 {}
memory.shared 1
modstartpotids {}
mopac.addtojob 0
mopac.method PM6
mopac.mozyme 0
mopac.runtype GeometryOptimization
mopac.showoutput 0
mopac.skipadf 0
mopac.sparkle 0
mopac.unlocked 1
mopac.updatebonds 1
mopac.usertext {<CR>"$ADFBIN/mopac.scm" -v 2009 << eor <CR>PM6 AUX(0,PRECISION=9) BONDS CHARGE=0  SCFCRT=1.0D-8<CR>Coordinates generated by ADFinput (c) SCM 1998-2011<CR><CR>Cr 0.00854833506052 1 0.288945586585 1 -0.0679371594366 1<CR>Cr -0.539829765433 1 0.260854530605 1 -1.57076527712 1<CR><CR>eor<CR>}
mopac.version 2009
nbo 0
newmm.addtojob 0
newmm.forcefield Tripos5.2
newmm.mxgeo 1000
newmm.showoutput 0
newmm.skipadf 0
newmm.unlocked 1
newmm.usertext {$ADFBIN/newmm << eor<CR><CR>:: WARNING - check Tripos atom types<CR>:: at least currently N.am, N.pl3, S.o, and S.o2 are not detected automatically<CR><CR>ATOMS<CR>Cr 0.00854833506052 0.288945586585 -0.0679371594366<CR>Cr -0.539829765433 0.260854530605 -1.57076527712<CR>END<CR><CR>GEOMETRY<CR>END<CR><CR>QMMM<CR>  OPTIMIZE<CR>    PRINT_CYCLES 1<CR>    PRINT_XYZ 1<CR>    MAX_STEPS 1000<CR>  SUBEND<CR><CR>  FORCE_FIELD_FILE $ADFRESOURCES/ForceFields/tripos5.2.ff<CR>  MM_CONNECTION_TABLE<CR>    1 Cr Cr 2 <CR>    2 Cr Cr 1 <CR>  SUBEND<CR>END<CR>eor<CR>}
nmr.analysis 0
nmr.out.1_iso 0
nmr.out.2_tens 0
nmr.scf.conv {}
nocv.ekmin {}
nocv.enocv {}
nocv.rhokmin {}
nocv.type None
nosymfit 0
nuclearmodel PointCharge
occupation 0
openbabel.addtojob 0
openbabel.forcefield UFF
openbabel.showoutput 0
openbabel.skipadf 0
openbabel.task Minimize
openbabel.unlocked 1
openbabel.usertext {<CR>cat << eor >"/tmp/swart.xyz"<CR>2<CR><CR>Cr       0.00854834       0.28894559      -0.06793716<CR>Cr      -0.53982977       0.26085453      -1.57076528<CR>eor<CR><CR>obminimize -ff UFF /tmp/swart.xyz >& "/tmp/swart.pdb"<CR><CR>rm "/tmp/swart.xyz"<CR>cat "/tmp/swart.pdb"<CR>rm "/tmp/swart.pdb"<CR>}
ord.accel 1
ord.aoresponse 0
ord.calculate 0
ord.conv {}
ord.cyc 1
ord.fitaoderiv 0
ord.frqbeg 5893
ord.frqend 5893
ord.frqunits Angstrom
ord.giao 0
ord.lifetime {}
ord.nfreq 1
ord.niter {}
ord.xc ALDA
pdbamberchoice {}
pdbfile {}
pointcharges <CR><CR>
polar.accel 1
polar.aoresponse 0
polar.calculate 0
polar.conv {}
polar.cyc 1
polar.fitaoderiv 0
polar.frqbeg {}
polar.frqend {}
polar.frqunits eV
polar.lifetime {}
polar.nfreq {}
polar.niter {}
polar.xc ALDA
print.fmat 0
print.fmatsfo 0
print.fragrot 0
print.fragsfo 0
print.functions 1
print.logfile 0
print.low 0
print.ovlbas 0
print.scf.eigval 1
print.scf.eigvec 1
print.scf.fmat 0
print.scf.pmat 0
print.scf.pop 1
print.sfo 1
print.sfo.eig 0
print.sfo.orbpop 1
print.sfo.ovl 0
qmmm.elstat None
qmmm.fixmmgeometry 0
qmmm.forcefield {$ADFRESOURCES/ForceFields/amber95.ff}
qmmm.maxgradient {}
qmmm.maxsteps 5000
qmmm.mmnotconverged Continue
qmmm.optimize ConjugateGradient
qmmm.outputlevel Normal
qmmm.partition AddRemove
qmmm.printcycles 10
qmmm.warninglevel ReportSevere,StopFatal
quild.boxradius {}
quild.cvg_enr {}
quild.cvg_grd {}
quild.cvg_stp {}
quild.freeze -1
quild.freqnumerical 0
quild.idcvg HessianGradient
quild.mxgeo {}
quild.runtype GeometryOptimization
raman.calculate 0
raman.lifetime {}
raman.method None
raman.xc ALDA
realmemblock.0_+val {}
reaxff 0
reaxff.forcefield {}
relativistic.0_level None
relativistic.1_formalism ZORA
response._AllComponents 1
response._AllTensor Dipole
response.frqbeg {}
response.frqend {}
response.frqunits eV
response.higherdisp 0
response.hypfreq 0.0656
response.nfreq {}
response.vanderwaals 10
restart.adffile {}
restart.fullpathrestart 0
restart.nogeo 0
restart.nohes 0
restart.noscf 0
restart.selectfile { }
restraints.yes 0
restraintsangle,n 0
restraintsblocks {}
restraintsdihedral,n 0
restraintsdistance,n 0
restraintsfixed {}
save.0_tape21 1
save.0_tape41 1
save.1_tape10 0
save.2_tape11 0
save.3_tape13 1
save.4_tape15 0
scf.adiis 0
scf.arh No
scf.arh.conv {}
scf.arh.final 0
scf.arh.iter {}
scf.arh.nsaved {}
scf.arh.switching 1
scf.converge.scfcnv {}
scf.converge.sconv2 {}
scf.diis.bfac {}
scf.diis.cx {}
scf.diis.cxx {}
scf.diis.cyc {}
scf.diis.n {}
scf.diis.ok {}
scf.ediis 0
scf.freeze {previous cycle}
scf.iterations {}
scf.keeporbitals {}
scf.lshift {}
scf.mixing {}
scf.nsmear 0
scf.smear1 0.5
scf.smear2 0.0001
scrf.extra1 15.0
scrf.extra2 2.0
scrf.extra3 {}
scrf.step1 1.0
scrf.step2 0.15
scrf.step3 {}
sftddft 0
simplemm.showoutput 0
solvation._noass 0
solvation.atomicradii Allinger
solvation.c-mat.1_how POT
solvation.charged.1method CONJ
solvation.charged.2conv {}
solvation.charged.3iter {}
solvation.charged.4omega {}
solvation.charged.5_corr 0
solvation.csmrsp 0
solvation.disc.1sc {}
solvation.disc.2leg {}
solvation.disc.3tol {}
solvation.div.1ndiv {}
solvation.div.2min {}
solvation.div.3ofac {}
solvation.method None
solvation.scf.1_when VAR
solvation.scf.2_how ALL
solvation.scf.3_howto 0.1
solvation.solv.1eps {}
solvation.solv.2rad {}
solvation.solv.4emp {}
solvation.solv.5cav0 {}
solvation.solv.6cav1 {}
solvation.solv.nonelst 0
solvation.solvent None
solvation.surf.1_surf Esurf
spinflip {}
spinorbit.0_level None
spinorbit.1_axis Z
stringmemblock.0_+val {}
symfit 1
symmetry.0_symbol NOSYM
symmetry.1_n 2
symmetry.1tol {}
tails.0_bas 0
tails.1_fit 0
thermo.0p {}
thermo.1t {}
thermo.2_t2 {}
thermo.3nt {}
title.0_title {Cr2 Bond Orders - standard printoutCr2 Bond Orders - standard printout}
totalenergy 0
transferintegrals 0
tsrc {}
units.angle Degree
units.length Angstrom
unrestricted 0
usertext bondorder<CR><CR>
vanderwaals.calculate 0
vectorlength.0_+val {}
xc.dispersion {}
xc.energy Default
xc.energy_sic 0
xc.experts 0
xc.gga.1_gga None
xc.gga.2_ggax implicit
xc.gga.3_ggac implicit
xc.gga.postscf BP
xc.hfxc {}
xc.ip 0.0
xc.lda.1_lda VWN
xc.lda.2_alpha 0.7
xc.lda.3_stoll 0
xc.modelpot None
xc.potential GGA:BP
xc.potential_sic 0
xc.sic.cycle_mix 1.0
xc.sic.cycle_skip 0
xc.sic.cycle_start 1
xc.sic.cycle_until 90
xc.sic.density Exact
xc.sic.fc FULL
xc.sic.freeze 0
xc.sic.loc Localize
xc.sic.loc_eps {}
xc.sic.nail 0
xc.sic.nail_eps 0.001
xc.sic.noresponse 0
xc.sic.npfits 15
xc.sic.print Normal
xc.sic.readmos {}
xc.sic.readv {}
xc.sic.shipv {}
xc.sic.singularfit FAST
xc.sic.writemos {}

Protein
{init 0}

Regions
{1,atomnos {} 1,bondstyle 2 1,label All 1,molvis {Balls And Sticks} 1,show 0 1,show,prev 0 1,showatoms 1 regions 1}

Descriptions
{descriptions {}}

Quild
{actions {} autoadded {} freezelabel Nothing}

QMMM
{1,action QM 1,desc {} 1,desclabel {} 1,region {} 1,regionlabel {} 1,regionlabel,1 {} 1,w .rframe.nb.bf.62.panel.scrolled.a1 actions 1}

ORCA
{}

Fde
{fderegs {} freezelabel Nothing}

Atom State
{{array ::Atom::tMass {Ac 227.0 Ag 106.905093 Al 26.981538 Am 243.0 Ar 39.962383 As 74.921596 At 210.0 Au 196.966551 B 11.009305 Ba 137.905242 Be 9.012182 Bh 264.0 Bi 208.980384 Bk 247.0 Br 78.918337 C 12.0 Ca 39.962591 Cd 113.903358 Ce 139.905435 Cf 251.0 Cl 34.968852 Cm 247.0 Cn 277.0 Co 58.933199 Cr 51.849511 Cs 132.905447 Cu 62.929600 Db 262.0 Ds 269.0 Dy 163.929171 Er 165.930290 Es 252.0 Eu 152.921227 F 18.998403 Fe 55.934941 Fm 257.0 Fr 223.0 Ga 68.925581 Gd 157.924101 Ge 73.921178 Gh 0.0 H 1.007825 He 4.002603 Hf 179.946548 Hg 201.970625 Ho 164.930319 Hs 265.0 I 126.904468 In 114.903879 Ir 192.962923 K 38.963706 Kr 83.911508 La 138.906349 Li 7.016004 Lr 260.0 Lu 174.940768 Md 258.0 Mg 23.985041 Mn 54.938049 Mo 97.905406 Mt 268.0 N 14.003074 Na 22.989769 Nb 92.906376 Nd 141.907719 Ne 19.992440 Ni 57.935347 No 259.0 Np 237.0 O 15.994914 Os 191.961479 P 30.973761 Pa 231.035878 Pb 207.976636 Pd 105.903484 Pm 145.0 Po 209.0 Pr 140.907648 Pt 194.964774 Pu 244.0 Ra 226.0 Rb 84.911792 Re 186.955750 Rf 261.0 Rg 272.0 Rh 102.905504 Rn 222.0 Ru 101.904348 S 31.972070 Sb 120.903822 Sc 44.955910 Se 79.916522 Sg 263.0 Si 27.976926 Sm 151.919729 Sn 119.902198 Sr 87.905616 Ta 180.947996 Tb 158.925343 Tc 98.0 Te 129.906222 Th 232.038049 Ti 47.947947 Tl 204.974412 Tm 168.934211 U 238.050783 Uub 277.0 Uuh 280.0 Uuo 280.0 Uup 280.0 Uuq 280.0 Uus 280.0 Uut 280.0 V 50.943963 W 183.950932 Xe 131.904154 Xx 0.0 Y 88.905848 Yb 173.938858 Zn 63.929146 Zr 89.904702 default 280.0}} {array ::Atom::tRadius {Ac 2.00 Ag 1.44 Al 1.43 Am 1.73 Ar 1.92 As 1.21 At 1.40 Au 1.44 B 0.88 Ba 2.17 Be 1.12 Bh 2.00 Bi 1.70 Bk 1.70 Br 1.14 C 0.77 Ca 1.97 Cd 1.49 Ce 1.818 Cf 1.86 Cl 0.99 Cm 1.74 Cn 2.00 Co 1.25 Cr 1.25 Cs 2.62 Cu 1.28 Db 2.00 Ds 2.00 Dy 1.781 Er 1.761 Es 1.86 Eu 2.084 F 0.64 Fe 1.26 Fm 2.00 Fr 2.70 Ga 1.41 Gd 1.804 Ge 1.22 Gh 0.22 H 0.30 He 0.99 Hf 1.57 Hg 1.52 Ho 1.762 Hs 2.00 I 1.33 In 1.66 Ir 1.35 K 2.31 Kr 1.97 La 1.88 Li 1.52 Lr 2.00 Lu 1.738 Md 2.00 Mg 1.60 Mn 1.29 Mo 1.36 Mt 2.00 N 0.70 Na 1.86 Nb 1.41 Nd 1.814 Ne 1.60 Ni 1.24 No 2.00 Np 1.55 O 0.66 Os 1.34 P 1.10 Pa 1.63 Pb 1.75 Pd 1.38 Pm 1.834 Po 1.40 Pr 1.824 Pt 1.38 Pu 1.59 Ra 2.20 Rb 2.44 Re 1.37 Rf 2.00 Rg 2.00 Rh 1.34 Rn 2.40 Ru 1.33 S 1.04 Sb 1.41 Sc 1.60 Se 1.17 Sg 2.00 Si 1.17 Sm 1.804 Sn 1.62 Sr 2.15 Ta 1.43 Tb 1.773 Tc 1.35 Te 1.37 Th 1.79 Ti 1.46 Tl 1.71 Tm 1.759 U 1.56 Uub 2.00 Uuh 2.00 Uuo 2.00 Uup 2.00 Uuq 2.00 Uus 2.00 Uut 2.00 V 1.31 W 1.37 Xe 2.17 Xx 0.22 Y 1.80 Yb 1.922 Zn 1.33 Zr 1.57 default 0.20}} {array ::Atom::tName {0 Xx 1 H 10 Ne 100 Fm 101 Md 102 Mo 103 Lr 104 Rf 105 Db 106 Sg 107 Bh 108 Hs 109 Mt 11 Na 110 Ds 111 Rg 112 Uub 113 Uut 114 Uuq 115 Uup 116 Uuh 117 Uus 118 Uuo 12 Mg 13 Al 14 Si 15 P 16 S 17 Cl 18 Ar 19 K 2 He 20 Ca 21 Sc 22 Ti 23 V 24 Cr 25 Mn 26 Fe 27 Co 28 Ni 29 Cu 3 Li 30 Zn 31 Ga 32 Ge 33 As 34 Se 35 Br 36 Kr 37 Rb 38 Sr 39 Y 4 Be 40 Zr 41 Nb 42 Mo 43 Tc 44 Ru 45 Rh 46 Pd 47 Ag 48 Cd 49 In 5 B 50 Sn 51 Sb 52 Te 53 I 54 Xe 55 Cs 56 Ba 57 La 58 Ce 59 Pr 6 C 60 Nd 61 Pm 62 Sm 63 Eu 64 Gd 65 Tb 66 Dy 67 Ho 68 Er 69 Tm 7 N 70 Yb 71 Lu 72 Hf 73 Ta 74 W 75 Re 76 Os 77 Ir 78 Pt 79 Au 8 O 80 Hg 81 Tl 82 Pb 83 Bi 84 Po 85 At 86 Rn 87 Fr 88 Ra 89 Ac 9 F 90 Th 91 Pa 92 U 93 Np 94 Pu 95 Am 96 Cm 97 Bk 98 Cf 99 Es}} {array ::Atom::tLonePairs {C 0 Cl 0 F 0 H 0 N 1 O 2 S 2 default 0}} {array ::Atom::tCharge {Ac 89 Ag 47 Al 13 Am 95 Ar 18 As 33 At 85 Au 79 B 5 Ba 56 Be 4 Bh 107 Bi 83 Bk 97 Br 35 C 6 Ca 20 Cd 48 Ce 58 Cf 98 Cl 17 Cm 96 Cn 112 Co 27 Cr 24 Cs 55 Cu 29 Db 105 Ds 110 Dy 66 Er 68 Es 99 Eu 63 F 9 Fe 26 Fm 100 Fr 87 Ga 31 Gd 64 Ge 32 H 1 He 2 Hf 72 Hg 80 Ho 67 Hs 108 I 53 In 49 Ir 77 K 19 Kr 36 La 57 Li 3 Lr 103 Lu 71 Md 101 Mg 12 Mn 25 Mo 102 Mt 109 N 7 Na 11 Nb 41 Nd 60 Ne 10 Ni 28 Np 93 O 8 Os 76 P 15 Pa 91 Pb 82 Pd 46 Pm 61 Po 84 Pr 59 Pt 78 Pu 94 Ra 88 Rb 37 Re 75 Rf 104 Rg 111 Rh 45 Rn 86 Ru 44 S 16 Sb 51 Sc 21 Se 34 Sg 106 Si 14 Sm 62 Sn 50 Sr 38 Ta 73 Tb 65 Tc 43 Te 52 Th 90 Ti 22 Tl 81 Tm 69 U 92 Uub 112 Uuh 116 Uuo 118 Uup 115 Uuq 114 Uus 117 Uut 113 V 23 W 74 Xe 54 Xx 0 Y 39 Yb 70 Zn 30 Zr 40 default 0}} {array ::Atom::tConnectors {C 4 Cl 1 F 1 H 1 He 0 Kr 0 N 4 Ne 0 O 4 Rn 0 S 4 Xe 0 default 10}} {array ::Atom::tColor {Ac pink Ag pink Al pink Am pink Ar pink As pink At pink Au pink B pink Ba pink Be pink Bh pink Bi pink Bk pink Br brown C #454545 Ca pink Cd pink Ce pink Cf pink Cl #ffff00 Cm pink Co pink Cr pink Cs pink Cu pink Db pink Ds pink Dy pink Er pink Es pink Eu pink F green Fe pink Fm pink Fr pink Ga pink Gd pink Ge pink Gh #a5b5f7 H white He pink Hf pink Hg pink Ho pink Hs pink I purple In pink Ir pink K pink Kr pink La pink Li pink Lr pink Lu pink Md pink Mg pink Mn pink Mo pink Mt pink N blue Na pink Nb pink Nd pink Ne pink Ni pink Np pink O red Os pink P orange Pa pink Pb pink Pd pink Pm pink Po pink Pr pink Pt pink Pu pink Ra pink Rb pink Re pink Rf pink Rg pink Rh pink Rn pink Ru pink S yellow Sb pink Sc pink Se pink Sg pink Si pink Sm pink Sn pink Sr pink Ta pink Tb pink Tc pink Te pink Th pink Ti pink Tl pink Tm pink U pink Uub pink Uuh pink Uuo pink Uup pink Uuq pink Uus pink Uut pink V pink W pink Xe pink Xx #a5b5f7 Y pink Yb pink Zn pink Zr pink default purple}}}

VTKShowBondsToHidden
0