#MD System 2.0 @Title neb0_image03 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.207777323998 0.528225326672 0.314031942033} C1 1 1 14 {} {0.261609698018 0.491116754 0.272168614381} Si1 2 1 14 {} {0.161081312253 0.536691043459 0.233070029328} Si2 3 1 8 {} {0.274154714206 0.523878461778 0.174150853538} O1 4 1 8 {} {0.301717076376 0.511535470916 0.34307125358} O2 5 1 6 {} {0.259632591716 0.397966865188 0.265400374525} C2 6 1 6 {} {0.129471293171 0.457037692684 0.215299102724} C3 7 1 8 {} {0.185550461299 0.562559284243 0.138788672449} O3 8 1 8 {} {0.125779702294 0.597801518569 0.260276392283} O4 9 1 14 {} {0.353103718747 0.540525706998 0.348485798809} Si3 10 1 7 {} {0.38783790532 0.477547983706 0.390057327807} N1 11 1 14 {} {0.442122515599 0.475817457852 0.348550886107} Si4 12 1 14 {} {0.367464918354 0.423262281127 0.472819719096} Si5 13 1 7 {} {0.338292499611 0.461071067091 0.558269547387} N2 14 1 7 {} {0.463723837534 0.555777830594 0.354188632045} N3 15 1 1 {} {0.196118266421 0.499656628687 0.372516328692} H1 16 1 1 {} {0.215616140204 0.579086806141 0.338082769396} H2 17 1 1 {} {0.248718342495 0.544460355825 0.14357991439} H3 18 1 1 {} {0.254449825013 0.374907409384 0.331175778941} H4 19 1 1 {} {0.291339767208 0.378941839821 0.23860766275} H5 20 1 1 {} {0.232853934847 0.381004082868 0.220602167504} H6 21 1 1 {} {0.102958715793 0.463310002634 0.165228115657} H7 22 1 1 {} {0.113892358544 0.439370227575 0.277488998091} H8 23 1 1 {} {0.151821888086 0.41714947851 0.191722319155} H9 24 1 1 {} {0.16699994089 0.585684617654 0.0956881516879} H10 25 1 1 {} {0.0973571690593 0.585388379223 0.286127732014} H11 26 1 1 {} {0.369561891268 0.560558634625 0.258662199251} H12 27 1 1 {} {0.351963194795 0.599319093894 0.409556310951} H13 28 1 1 {} {0.466287157446 0.423619432545 0.401408439496} H14 29 1 1 {} {0.444272396567 0.458228945635 0.251926985254} H15 30 1 1 {} {0.336028465475 0.374167792157 0.432422582262} H16 31 1 1 {} {0.406956600223 0.389037202224 0.511945191379} H17 32 1 1 {} {0.306675318529 0.477556048485 0.547102240797} H18 33 1 1 {} {0.354251706642 0.491577544195 0.602069186643} H19 34 1 1 {} {0.487110587847 0.570344115587 0.309016116882} H20 35 1 1 {} {0.469307253093 0.577933764595 0.414250009548} H21 36 1 6 {} {0.652639027997 0.637760030037 0.498555444321} C4 37 1 14 {} {0.613205588291 0.573855310444 0.451003414654} Si6 38 1 14 {} {0.650215818723 0.72434433222 0.45369314146} Si7 39 1 8 {} {0.61037123068 0.582215224661 0.341273539829} O5 40 1 8 {} {0.63294660282 0.499193986525 0.474968977756} O6 41 1 6 {} {0.556261670035 0.579961619667 0.500678205075} C5 42 1 6 {} {0.602558488006 0.774751195142 0.498409443343} C6 43 1 8 {} {0.646161177351 0.713405218476 0.343157584629} O7 44 1 8 {} {0.697763635019 0.765751697463 0.469399058865} O8 45 1 14 {} {0.643348379064 0.421230376428 0.447310965721} Si8 46 1 7 {} {0.597971477277 0.368941186462 0.465147866026} N4 47 1 14 {} {0.578388194123 0.319837207222 0.376847834393} Si9 48 1 14 {} {0.573335498635 0.365648741072 0.571893439247} Si10 49 1 7 {} {0.608172929414 0.384312417616 0.657965234244} N5 50 1 7 {} {0.613377850867 0.256863490535 0.339164045599} N6 51 1 1 {} {0.648416737134 0.639159906774 0.571608877585} H22 52 1 1 {} {0.686724738628 0.619076793117 0.486086146649} H23 53 1 1 {} {0.622948219014 0.624315151761 0.319161201554} H24 54 1 1 {} {0.556279010681 0.570275857027 0.572889687309} H25 55 1 1 {} {0.534611035748 0.54252969165 0.468867922949} H26 56 1 1 {} {0.541612070742 0.629656833081 0.489237045789} H27 57 1 1 {} {0.601774504985 0.825179618933 0.469016109353} H28 58 1 1 {} {0.604608044621 0.78030159613 0.571364155628} H29 59 1 1 {} {0.570470084514 0.750609174733 0.483310147557} H30 60 1 1 {} {0.653889179432 0.750892846313 0.305173854618} H31 61 1 1 {} {0.69807010085 0.800797401937 0.514084866547} H32 62 1 1 {} {0.654806586804 0.416134552282 0.350398182107} H33 63 1 1 {} {0.682525915307 0.400834245163 0.501991962657} H34 64 1 1 {} {0.536605485905 0.287908450448 0.409623781344} H35 65 1 1 {} {0.570205157335 0.362684245642 0.29718908661} H36 66 1 1 {} {0.535976892996 0.414886523532 0.578225907195} H37 67 1 1 {} {0.556152379542 0.295995033557 0.583520091034} H38 68 1 1 {} {0.615044299496 0.433271151749 0.673635308084} H39 69 1 1 {} {0.635719487985 0.355188163076 0.671971627878} H40 70 1 1 {} {0.637869695054 0.268136733787 0.294982207222} H41 71 1 1 {} {0.622790192642 0.219279741371 0.380193391516} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end