#MD System 2.0 @Title neb0_image06 @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 {} {0.848920623268 0.307564632675 0.0626886560394} Si1 1 0.0 1 14 {} {0.849495194909 0.385260683986 0.44436533959} Si2 2 0.0 1 14 {} {0.0988079376845 0.307363832909 0.192644020184} Si3 3 0.0 1 14 {} {0.0991469270082 0.383376086004 0.317784988523} Si4 4 0.0 1 14 {} {0.858045897779 0.54225059581 0.437994093488} Si5 5 0.0 1 14 {} {0.103099520419 0.537497246374 0.30590235376} Si6 6 0.0 1 14 {} {0.847595499004 0.45876095543 0.0662078407057} Si7 7 0.0 1 14 {} {0.845288409511 0.229670675407 0.442150967309} Si8 8 0.0 1 14 {} {0.0991710646809 0.458473758998 0.192287890645} Si9 9 0.0 1 14 {} {0.0951335290589 0.228935481814 0.313862136557} Si10 10 0.0 1 8 {} {0.333484751078 0.59055037807 0.526885943837} O1 11 0.0 1 14 {} {0.347570099113 0.655626365339 0.519752044008} Si11 12 0.0 1 8 {} {0.112625969425 0.589632304182 0.209924114194} O2 13 0.0 1 1 {} {0.0126445205614 0.59395950229 0.150002659635} H1 14 0.0 1 8 {} {0.334260619271 0.177932287964 0.540721405971} O3 15 0.0 1 1 {} {0.933290660855 0.175074742574 0.60132887284} H2 16 0.0 1 8 {} {0.0840500665213 0.177216839052 0.215994262371} O4 17 0.0 1 1 {} {0.18301487045 0.173684956288 0.155836817464} H3 18 0.0 1 14 {} {0.849343074591 0.307998783958 0.564786174023} Si12 19 0.0 1 14 {} {0.849342809168 0.384191010013 0.938916864791} Si13 20 0.0 1 14 {} {0.0990733806709 0.308906090986 0.694270759891} Si14 21 0.0 1 14 {} {0.100111803024 0.387342259819 0.812795156658} Si15 22 0.0 1 14 {} {0.851863997787 0.537314709748 0.950160737123} Si16 23 0.0 1 14 {} {0.102091442679 0.542214925494 0.821034029619} Si17 24 0.0 1 14 {} {0.85094240235 0.464274977541 0.56111369588} Si18 25 0.0 1 14 {} {0.845271457554 0.228914070568 0.942593075963} Si19 26 0.0 1 14 {} {0.100489242441 0.46569237617 0.691220377449} Si20 27 0.0 1 14 {} {0.0954002482172 0.229985847815 0.814982673649} Si21 28 0.0 1 8 {} {0.362494760563 0.589307406387 0.0465033049798} O5 29 0.0 1 1 {} {0.262603792677 0.593839088157 0.106783296227} H4 30 0.0 1 8 {} {0.110971892056 0.59945075619 0.768991426904} O6 31 0.0 1 1 {} {0.0736135647556 0.626417371225 0.716464029123} H5 32 0.0 1 8 {} {0.33424823091 0.177388941126 0.0410648446038} O7 33 0.0 1 1 {} {0.933246236175 0.173848013205 0.10117924912} H6 34 0.0 1 8 {} {0.0844508608612 0.179301304868 0.714256259122} O8 35 0.0 1 1 {} {0.183871965421 0.175618348945 0.654347857004} H7 36 0.0 1 14 {} {0.34890419079 0.30757385299 0.0628063566201} Si22 37 0.0 1 14 {} {0.349696816955 0.384682893164 0.443734148594} Si23 38 0.0 1 14 {} {0.598992678318 0.307697506148 0.192587818223} Si24 39 0.0 1 14 {} {0.59994617009 0.383797962067 0.317777934922} Si25 40 0.0 1 14 {} {0.351351920872 0.539446259921 0.434917916635} Si26 41 0.0 1 14 {} {0.605847577808 0.541150562771 0.311773883499} Si27 42 0.0 1 14 {} {0.352463457441 0.458552703441 0.0678906152062} Si28 43 0.0 1 14 {} {0.345061596803 0.229371532921 0.442062207503} Si29 44 0.0 1 14 {} {0.60127877275 0.460560373544 0.197849456015} Si30 45 0.0 1 14 {} {0.595205053138 0.229238344969 0.313929105836} Si31 46 0.0 1 8 {} {0.862878059497 0.592797202542 0.532028824752} O9 47 0.0 1 1 {} {0.948871124204 0.621287289649 0.530482992924} H8 48 0.0 1 8 {} {0.616733599701 0.590286602757 0.208436625323} O10 49 0.0 1 1 {} {0.514399316649 0.594746244984 0.150586764958} H9 50 0.0 1 8 {} {0.834094518806 0.178349332351 0.541129995677} O11 51 0.0 1 1 {} {0.43327339872 0.17461586075 0.60101652749} H10 52 0.0 1 8 {} {0.584421985991 0.177570682128 0.215893173569} O12 53 0.0 1 1 {} {0.683367377096 0.174006593547 0.155711534444} H11 54 0.0 1 14 {} {0.348591671226 0.307621206785 0.564641561852} Si32 55 0.0 1 14 {} {0.350495509686 0.384276638351 0.939397294373} Si33 56 0.0 1 14 {} {0.59887704156 0.308305879124 0.693415447595} Si34 57 0.0 1 14 {} {0.599861488523 0.386327513791 0.812122740141} Si35 58 0.0 1 14 {} {0.351957980148 0.536952264757 0.952315979622} Si36 59 0.0 1 14 {} {0.599564633999 0.5406429495 0.820667134549} Si37 60 0.0 1 14 {} {0.350619107749 0.463126682258 0.56161086804} Si38 61 0.0 1 14 {} {0.345350958962 0.228930757939 0.942738211983} Si39 62 0.0 1 14 {} {0.600845754064 0.46454926247 0.691116553726} Si40 63 0.0 1 14 {} {0.595258352264 0.229671039601 0.814826235667} Si41 64 0.0 1 8 {} {0.862004547612 0.58989071007 0.0439077127135} O13 65 0.0 1 1 {} {0.762843945288 0.593870140304 0.105381568928} H12 66 0.0 1 8 {} {0.593977974802 0.596194026846 0.742667140539} O14 67 0.0 1 14 {} {0.597478688854 0.660988750119 0.741430717974} Si42 68 0.0 1 8 {} {0.834331920004 0.177381522371 0.0409490592165} O15 69 0.0 1 1 {} {0.433267724483 0.173891507527 0.101206468598} H13 70 0.0 1 8 {} {0.584206537291 0.178830035003 0.714556373653} O16 71 0.0 1 1 {} {0.683512882832 0.175383395095 0.654470186548} H14 72 0.0 1 7 {} {0.460871768389 0.686529844665 0.633912298068} N 73 0.0 1 1 {} {0.4473661392 0.743191311077 0.644605099248} H16 74 0.0 1 9 {} {0.796127778009 0.677653778006 0.721634948208} F4 75 0.0 1 9 {} {0.318427077313 0.681669413667 0.392401327945} F5 76 0.0 1 9 {} {0.547918402492 0.680491653403 0.87657061009} F3 77 0.0 1 9 {} {0.143225141968 0.665637369344 0.568775535353} F1 78 0.0 1 9 {} {0.431981781755 0.791578056401 0.664005243499} F2 79 0.0 1 9 {} {0.555212934972 0.710279194055 0.496510910144} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {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