#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 {} {0.848937930252 0.307550715672 0.0629180172947} Si1 1 0.0 1 14 {} {0.849499554748 0.385242794311 0.444451394089} Si2 2 0.0 1 14 {} {0.0988219002888 0.307331529952 0.192488377337} Si3 3 0.0 1 14 {} {0.0989853683626 0.383402804062 0.317686952576} Si4 4 0.0 1 14 {} {0.858314530659 0.541914128085 0.437050635366} Si5 5 0.0 1 14 {} {0.102789248784 0.537479633327 0.306240608835} Si6 6 0.0 1 14 {} {0.847421112835 0.45888053057 0.0663979084274} Si7 7 0.0 1 14 {} {0.845278210728 0.22966135115 0.442004921042} Si8 8 0.0 1 14 {} {0.09929399537 0.458465530833 0.192032645803} Si9 9 0.0 1 14 {} {0.0951189926377 0.228909081368 0.31401545484} Si10 10 0.0 1 8 {} {0.347162605567 0.592670038366 0.52240621289} O1 11 0.0 1 14 {} {0.331336228183 0.65786533 0.521895913446} Si11 12 0.0 1 8 {} {0.112439565941 0.589686885762 0.210481875157} O2 13 0.0 1 1 {} {0.0126221679615 0.593805839002 0.15005716854} H1 14 0.0 1 8 {} {0.334267585841 0.177947589987 0.54074526259} O3 15 0.0 1 1 {} {0.93330959454 0.175078987732 0.601332819112} H2 16 0.0 1 8 {} {0.0840047631889 0.177186123554 0.215969252395} O4 17 0.0 1 1 {} {0.183034338107 0.173684200847 0.155837322456} H3 18 0.0 1 14 {} {0.849333056107 0.307971154085 0.564946374244} Si12 19 0.0 1 14 {} {0.849281959359 0.38422778867 0.939057027162} Si13 20 0.0 1 14 {} {0.099076783871 0.308856702359 0.694078277949} Si14 21 0.0 1 14 {} {0.100077326646 0.387219370647 0.812708185237} Si15 22 0.0 1 14 {} {0.850398260026 0.537175604008 0.949086340184} Si16 23 0.0 1 14 {} {0.100375354758 0.540815365203 0.824987407923} Si17 24 0.0 1 14 {} {0.850890673057 0.464136365881 0.56143795464} Si18 25 0.0 1 14 {} {0.845316338517 0.228889554022 0.942470774651} Si19 26 0.0 1 14 {} {0.100114864285 0.465195732536 0.690611330131} Si20 27 0.0 1 14 {} {0.0954255983342 0.229965830405 0.815055449462} Si21 28 0.0 1 8 {} {0.363061577638 0.589220634132 0.0464182424376} O5 29 0.0 1 1 {} {0.262644794769 0.593729098494 0.106324025181} H4 30 0.0 1 8 {} {0.121396881364 0.600777637116 0.77143507937} O6 31 0.0 1 1 {} {0.0663714238719 0.627062489166 0.712679781242} H5 32 0.0 1 8 {} {0.334182283785 0.177336940982 0.0410832486241} O7 33 0.0 1 1 {} {0.93325706335 0.173836763278 0.101159473957} H6 34 0.0 1 8 {} {0.0843817788284 0.179251871643 0.714230241047} O8 35 0.0 1 1 {} {0.183870135474 0.175599160943 0.654366600697} H7 36 0.0 1 14 {} {0.348942681374 0.307555144296 0.0630328516952} Si22 37 0.0 1 14 {} {0.349610164944 0.384733508781 0.443632453937} Si23 38 0.0 1 14 {} {0.598991695084 0.307708313598 0.192430947181} Si24 39 0.0 1 14 {} {0.599962951165 0.383815729642 0.317884666283} Si25 40 0.0 1 14 {} {0.351857174149 0.539194960771 0.432970547298} Si26 41 0.0 1 14 {} {0.606732069738 0.54017065889 0.310919855175} Si27 42 0.0 1 14 {} {0.352540971114 0.45870532906 0.0680266401361} Si28 43 0.0 1 14 {} {0.345110371904 0.229362522471 0.441835805414} Si29 44 0.0 1 14 {} {0.601106081724 0.460219199035 0.197402966824} Si30 45 0.0 1 14 {} {0.595238350723 0.229213622546 0.314105700054} Si31 46 0.0 1 8 {} {0.860383495265 0.59314566725 0.532485969911} O9 47 0.0 1 1 {} {0.948475217589 0.621203734601 0.52808058402} H8 48 0.0 1 8 {} {0.6152349509 0.590734892162 0.210432898683} O10 49 0.0 1 1 {} {0.514138674854 0.594493748147 0.150503758779} H9 50 0.0 1 8 {} {0.834079520407 0.178331220559 0.541135040137} O11 51 0.0 1 1 {} {0.433332836693 0.174624856456 0.601017137227} H10 52 0.0 1 8 {} {0.584386937953 0.17754800325 0.215884901208} O12 53 0.0 1 1 {} {0.683368226148 0.173998096479 0.155715412035} H11 54 0.0 1 14 {} {0.34861609065 0.307650750117 0.564873786958} Si32 55 0.0 1 14 {} {0.350408351268 0.384303196805 0.939564961832} Si33 56 0.0 1 14 {} {0.598926898693 0.308276255093 0.693245191625} Si34 57 0.0 1 14 {} {0.599752227679 0.386326525797 0.812190452572} Si35 58 0.0 1 14 {} {0.351443857144 0.536925694906 0.950958528002} Si36 59 0.0 1 14 {} {0.59934117005 0.540237615648 0.82336797188} Si37 60 0.0 1 14 {} {0.350754634141 0.463124699554 0.562425147914} Si38 61 0.0 1 14 {} {0.345366586604 0.228897840829 0.94262402564} Si39 62 0.0 1 14 {} {0.60092380679 0.464655450664 0.690975693319} Si40 63 0.0 1 14 {} {0.595277907715 0.229636058411 0.814948895593} Si41 64 0.0 1 8 {} {0.862543756036 0.589829619534 0.0437373504022} O13 65 0.0 1 1 {} {0.763045399257 0.593797969084 0.104878372658} H12 66 0.0 1 8 {} {0.5924751712 0.59559769965 0.742421376179} O14 67 0.0 1 14 {} {0.603861618575 0.659806337138 0.743936149103} Si42 68 0.0 1 8 {} {0.834276764684 0.177344272177 0.0409684440779} O15 69 0.0 1 1 {} {0.43324878695 0.173886080901 0.101205720821} H13 70 0.0 1 8 {} {0.584172810073 0.178778400714 0.714528838695} O16 71 0.0 1 1 {} {0.683540754597 0.175363357125 0.654476738571} H14 72 0.0 1 7 {} {0.461901341516 0.686083808634 0.633877121662} N 73 0.0 1 1 {} {0.440747967398 0.749081381209 0.649471780214} H16 74 0.0 1 9 {} {0.799955228185 0.67848086904 0.720077597123} F4 75 0.0 1 9 {} {0.316694575549 0.678799043682 0.384080594369} F5 76 0.0 1 9 {} {0.545966598581 0.680985277194 0.876853231972} F3 77 0.0 1 9 {} {0.131500520541 0.666779800451 0.572088514154} F1 78 0.0 1 9 {} {0.433960462715 0.786603483122 0.662577566297} F2 79 0.0 1 9 {} {0.571753171092 0.710392460081 0.5002505921} 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