#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 {} {0.207671781813 0.528221399999 0.314025865918} C1 1 1 14 {} {0.261612565329 0.491256093017 0.272175384084} Si1 2 1 14 {} {0.160965883759 0.536746304644 0.233055216424} Si2 3 1 8 {} {0.274236392288 0.524469357345 0.174435441717} O1 4 1 8 {} {0.301557450387 0.511523509842 0.3431940843} O2 5 1 6 {} {0.259637265717 0.398058393501 0.265165119962} C2 6 1 6 {} {0.129439028158 0.457018923768 0.215274636641} C3 7 1 8 {} {0.185469521367 0.562539332942 0.138751858909} O3 8 1 8 {} {0.12562059726 0.597914525576 0.259885112258} O4 9 1 14 {} {0.353056354292 0.540434477659 0.348242170559} Si3 10 1 7 {} {0.387802659246 0.477526826614 0.389876707831} N1 11 1 14 {} {0.442250189216 0.476002058669 0.349042657918} Si4 12 1 14 {} {0.367416575069 0.423339918963 0.472676113704} Si5 13 1 7 {} {0.33830351622 0.46117386713 0.55808281663} N2 14 1 7 {} {0.464221362635 0.555734630727 0.355228344197} N3 15 1 1 {} {0.196053317374 0.499628745899 0.372532633631} H1 16 1 1 {} {0.215485759831 0.579060158254 0.33822781697} H2 17 1 1 {} {0.248654385687 0.544456321793 0.143694242874} H3 18 1 1 {} {0.254481825773 0.375124295485 0.331052956428} H4 19 1 1 {} {0.291363360189 0.379085862243 0.238367694865} H5 20 1 1 {} {0.232861556207 0.380962148207 0.220452716071} H6 21 1 1 {} {0.10291686196 0.463179968532 0.165226316674} H7 22 1 1 {} {0.113906181316 0.439253701398 0.277445653195} H8 23 1 1 {} {0.15184684158 0.41722010298 0.191648496145} H9 24 1 1 {} {0.166991772922 0.585651108141 0.0955113443088} H10 25 1 1 {} {0.0972436024958 0.585536921798 0.2859928149} H11 26 1 1 {} {0.369454666405 0.560422160056 0.258307848375} H12 27 1 1 {} {0.351924959808 0.59931911617 0.409331915156} H13 28 1 1 {} {0.466260841913 0.423572986383 0.401660218217} H14 29 1 1 {} {0.4443508052 0.458676433119 0.252226260485} H15 30 1 1 {} {0.335931279637 0.374170651469 0.432417684512} H16 31 1 1 {} {0.406883833758 0.389105695618 0.511993411757} H17 32 1 1 {} {0.306680281769 0.477633718478 0.547149099515} H18 33 1 1 {} {0.354327122542 0.491538056885 0.602114771968} H19 34 1 1 {} {0.487081223559 0.570650368091 0.309169716485} H20 35 1 1 {} {0.470038815241 0.577860327696 0.41519073007} H21 36 1 6 {} {0.652524923667 0.63758252921 0.498680038436} C4 37 1 14 {} {0.613032943717 0.573741736092 0.450745597023} Si6 38 1 14 {} {0.650157599802 0.724219287069 0.453812276593} Si7 39 1 8 {} {0.610766047133 0.582020500353 0.341098178126} O5 40 1 8 {} {0.632718049566 0.498983482197 0.475015740463} O6 41 1 6 {} {0.555933034284 0.579885616226 0.499775671054} C5 42 1 6 {} {0.602582611162 0.774670403885 0.49852719717} C6 43 1 8 {} {0.645837190915 0.713486633171 0.343360118595} O7 44 1 8 {} {0.697803341844 0.76557575819 0.469488567459} O8 45 1 14 {} {0.643344695006 0.421125224184 0.447125462119} Si8 46 1 7 {} {0.59800869395 0.368929128793 0.465240207196} N4 47 1 14 {} {0.578451491963 0.319733716228 0.376732857009} Si9 48 1 14 {} {0.573355412486 0.365637720707 0.571766899846} Si10 49 1 7 {} {0.608548468265 0.384387720418 0.658695540371} N5 50 1 7 {} {0.613502959319 0.257037145561 0.339471964335} N6 51 1 1 {} {0.648385334784 0.639122920757 0.571755600908} H22 52 1 1 {} {0.686585543133 0.618758108033 0.486219756722} H23 53 1 1 {} {0.623066068655 0.624383608763 0.31929566999} H24 54 1 1 {} {0.55611314414 0.569911714728 0.571919883258} H25 55 1 1 {} {0.533853355595 0.542940708155 0.467997601609} H26 56 1 1 {} {0.541511641162 0.629860582868 0.488956265284} H27 57 1 1 {} {0.601836417639 0.825108996427 0.469155135794} H28 58 1 1 {} {0.604647088178 0.780194885676 0.571457969309} H29 59 1 1 {} {0.570520557309 0.750502647162 0.483326561199} H30 60 1 1 {} {0.653888595067 0.750861908604 0.305407247434} H31 61 1 1 {} {0.698132718991 0.80062616492 0.514104785015} H32 62 1 1 {} {0.65489089446 0.416059008795 0.350393617891} H33 63 1 1 {} {0.682522057762 0.400739278317 0.501909151863} H34 64 1 1 {} {0.536682693455 0.287697937312 0.409623187689} H35 65 1 1 {} {0.570295998263 0.36258295189 0.297155551398} H36 66 1 1 {} {0.536166063009 0.415027854254 0.57792559951} H37 67 1 1 {} {0.556132563428 0.296235640307 0.583451958897} H38 68 1 1 {} {0.615134621415 0.432978711801 0.673658219689} H39 69 1 1 {} {0.635562508237 0.3552785661 0.671785251349} H40 70 1 1 {} {0.638122907265 0.268086616375 0.295224367858} H41 71 1 1 {} {0.623059184805 0.219259068736 0.380722555634} 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