#MD System 2.0 @Title neb0_image04 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.848380484025 0.307074667085 0.0630132398523} Si1 1 0.0 1 14 {} {0.848759737651 0.385201412032 0.444843197861} Si2 2 0.0 1 14 {} {0.0983588583848 0.307009833872 0.193090273041} Si3 3 0.0 1 14 {} {0.0986003555298 0.383224621687 0.317952559108} Si4 4 0.0 1 14 {} {0.856016825892 0.541112734072 0.436721328553} Si5 5 0.0 1 14 {} {0.10317487805 0.537422916338 0.307149797622} Si6 6 0.0 1 14 {} {0.849969465817 0.458851244288 0.064331027537} Si7 7 0.0 1 14 {} {0.845101292172 0.229286932508 0.442213888597} Si8 8 0.0 1 14 {} {0.0994532266076 0.458487117713 0.193010953519} Si9 9 0.0 1 14 {} {0.0949468394057 0.228537140797 0.313912202839} Si10 10 0.0 1 8 {} {0.352652418419 0.593180541229 0.520627285261} O1 11 0.0 1 14 {} {0.337491644972 0.658016649675 0.522258319502} Si11 12 0.0 1 8 {} {0.111271392599 0.589660176854 0.211705903977} O2 13 0.0 1 1 {} {0.0115210722329 0.59343472612 0.151415522436} H1 14 0.0 1 8 {} {0.334046625963 0.177933966668 0.541188043883} O3 15 0.0 1 1 {} {0.933144579331 0.174678804579 0.601545176205} H2 16 0.0 1 8 {} {0.083715313886 0.176886428144 0.215952884474} O4 17 0.0 1 1 {} {0.182727864782 0.17325767219 0.155866372742} H3 18 0.0 1 14 {} {0.848796410719 0.307660383122 0.564504667776} Si12 19 0.0 1 14 {} {0.849186754597 0.383694095831 0.938997361021} Si13 20 0.0 1 14 {} {0.0989188650191 0.308216306518 0.693834674979} Si14 21 0.0 1 14 {} {0.0994577786813 0.386461816025 0.812153409069} Si15 22 0.0 1 14 {} {0.850519658453 0.537795142236 0.94871097214} Si16 23 0.0 1 14 {} {0.10147648675 0.541536087645 0.824023746086} Si17 24 0.0 1 14 {} {0.850073609145 0.464035786202 0.562844827882} Si18 25 0.0 1 14 {} {0.845037055512 0.228452528908 0.942706144806} Si19 26 0.0 1 14 {} {0.099209682463 0.465320568444 0.693356743909} Si20 27 0.0 1 14 {} {0.0951494304699 0.229357770173 0.814790979693} Si21 28 0.0 1 8 {} {0.36259212214 0.588733870271 0.0472176348654} O5 29 0.0 1 1 {} {0.262300240421 0.59387571193 0.106345610525} H4 30 0.0 1 8 {} {0.126269321535 0.598750209641 0.752168338898} O6 31 0.0 1 1 {} {0.028538069821 0.622506643221 0.735814618135} H5 32 0.0 1 8 {} {0.333854446355 0.176911276558 0.0411029482892} O7 33 0.0 1 1 {} {0.93292517072 0.173353904047 0.101166596829} H6 34 0.0 1 8 {} {0.0840628304002 0.17853400538 0.714524781029} O8 35 0.0 1 1 {} {0.183450161378 0.174902622884 0.654587339479} H7 36 0.0 1 14 {} {0.348285112213 0.307022355729 0.062992510841} Si22 37 0.0 1 14 {} {0.348668500921 0.385465598593 0.444810601295} Si23 38 0.0 1 14 {} {0.598265790355 0.307030554481 0.193038849982} Si24 39 0.0 1 14 {} {0.598830167644 0.383289886302 0.317892658297} Si25 40 0.0 1 14 {} {0.353927999466 0.539939259991 0.43396982345} Si26 41 0.0 1 14 {} {0.606440105191 0.538213043135 0.308250495199} Si27 42 0.0 1 14 {} {0.350270551967 0.458142361203 0.0664138055056} Si28 43 0.0 1 14 {} {0.345059552848 0.229168201731 0.442063629401} Si29 44 0.0 1 14 {} {0.601191213587 0.458855238208 0.193688923645} Si30 45 0.0 1 14 {} {0.595098396642 0.228596046853 0.313959272873} Si31 46 0.0 1 8 {} {0.854325345233 0.593666046519 0.526739834423} O9 47 0.0 1 1 {} {0.93949271627 0.622481353651 0.518847237856} H8 48 0.0 1 8 {} {0.614331102933 0.589853170608 0.211360335545} O10 49 0.0 1 1 {} {0.51303295178 0.594014963111 0.152360996121} H9 50 0.0 1 8 {} {0.833870109956 0.178102819442 0.541454715524} O11 51 0.0 1 1 {} {0.433230472177 0.174403840748 0.601293757308} H10 52 0.0 1 8 {} {0.584014762108 0.176988467973 0.215901772548} O12 53 0.0 1 1 {} {0.682973617258 0.173401545703 0.155752711896} H11 54 0.0 1 14 {} {0.348592919326 0.307734537372 0.564070126707} Si32 55 0.0 1 14 {} {0.349219588021 0.38358938992 0.939350182811} Si33 56 0.0 1 14 {} {0.598494400843 0.307931332826 0.693564012866} Si34 57 0.0 1 14 {} {0.598967719447 0.385905896961 0.81217138823} Si35 58 0.0 1 14 {} {0.349447751746 0.536658185818 0.951845294128} Si36 59 0.0 1 14 {} {0.597328760698 0.539897728674 0.823778442174} Si37 60 0.0 1 14 {} {0.348888645542 0.463954701922 0.563140127393} Si38 61 0.0 1 14 {} {0.34504801394 0.228422138305 0.942789275129} Si39 62 0.0 1 14 {} {0.599301027505 0.464331932307 0.692417869525} Si40 63 0.0 1 14 {} {0.595018264284 0.229235918898 0.814721234406} Si41 64 0.0 1 8 {} {0.861576969157 0.589721629825 0.0448815736034} O13 65 0.0 1 1 {} {0.761704426736 0.594226436989 0.105011412069} H12 66 0.0 1 8 {} {0.595134803106 0.595060485469 0.743389298322} O14 67 0.0 1 14 {} {0.603133271057 0.659995758761 0.739374116202} Si42 68 0.0 1 8 {} {0.833927099772 0.176944138971 0.0410341359754} O15 69 0.0 1 1 {} {0.432858455657 0.173336816093 0.1012145304} H13 70 0.0 1 8 {} {0.583977104583 0.178328846483 0.714718380598} O16 71 0.0 1 1 {} {0.683304905061 0.174811819182 0.654685054804} H14 72 0.0 1 7 {} {0.468416979671 0.685388219676 0.629894561571} N 73 0.0 1 1 {} {0.435002756519 0.747077881439 0.6554877087} H16 74 0.0 1 9 {} {0.804720560982 0.674593207587 0.720325919132} F4 75 0.0 1 9 {} {0.361436541424 0.679211642744 0.385547923681} F5 76 0.0 1 9 {} {0.557676823066 0.680034016823 0.875397750045} F3 77 0.0 1 9 {} {0.13271050941 0.668460421089 0.547845645997} F1 78 0.0 1 9 {} {0.415791865349 0.783116177592 0.676626638263} F2 79 0.0 1 9 {} {0.591903051955 0.744473979359 0.514527469769} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 44 41 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 68 33 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 67 74 {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