#MD System 2.0 @Title neb0_image01 @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 {} {0.358230518019 0.546560253784 0.413978814821} C1 1 1 14 {} {0.334752865781 0.520095004163 0.524674876933} Si1 2 1 14 {} {0.419863737115 0.557357334616 0.409761274812} Si2 3 1 8 {} {0.347954756113 0.576880835669 0.600601544882} O1 4 1 8 {} {0.279829179143 0.518736892523 0.5174054327} O2 5 1 6 {} {0.353584578289 0.434840997662 0.559438050634} C2 6 1 6 {} {0.451065186646 0.477071991873 0.395171703842} C3 7 1 8 {} {0.432857033217 0.591945463859 0.508866747676} O3 8 1 8 {} {0.433184141179 0.608934725194 0.327038371722} O4 9 1 14 {} {0.229407301427 0.522864257813 0.558812825676} Si3 10 1 7 {} {0.209801476742 0.444821589689 0.592985343352} N1 11 1 14 {} {0.187379660263 0.436513076249 0.700498087128} Si4 12 1 14 {} {0.21028436932 0.377049510191 0.517988096172} Si5 13 1 7 {} {0.204232705201 0.398101625193 0.407508664976} N2 14 1 7 {} {0.136961750869 0.47555791034 0.720732960989} N3 15 1 1 {} {0.348199259608 0.510782173359 0.36174622096} H1 16 1 1 {} {0.342600889424 0.594870954893 0.396878800271} H2 17 1 1 {} {0.377882610725 0.59505213791 0.591240364266} H3 18 1 1 {} {0.344932920261 0.39626363631 0.510087995937} H4 19 1 1 {} {0.337885690056 0.420902135276 0.623079914855} H5 20 1 1 {} {0.389902388823 0.433563207826 0.569462589062} H6 21 1 1 {} {0.4871920621 0.486451374269 0.392229516377} H7 22 1 1 {} {0.441524035032 0.452690434066 0.332206656879} H8 23 1 1 {} {0.444809699845 0.441583945195 0.449744522991} H9 24 1 1 {} {0.463438007211 0.607126226794 0.515086359777} H10 25 1 1 {} {0.465113190515 0.612185599665 0.315795902581} H11 26 1 1 {} {0.22770047502 0.567099774466 0.639164286083} H12 27 1 1 {} {0.20042675925 0.55097626498 0.487179620545} H13 28 1 1 {} {0.180670060719 0.363377745337 0.714818333032} H14 29 1 1 {} {0.218947636054 0.465629208684 0.766596145962} H15 30 1 1 {} {0.253573929829 0.340388422914 0.523858458151} H16 31 1 1 {} {0.172661249311 0.332470471631 0.544702369601} H17 32 1 1 {} {0.231250549388 0.41282475329 0.371571689885} H18 33 1 1 {} {0.176267116458 0.421632161694 0.385470586394} H19 34 1 1 {} {0.136146936778 0.525151633656 0.735739275139} H20 35 1 1 {} {0.108892087698 0.46168854107 0.687409500966} H21 36 1 6 {} {0.632606215184 0.645987996101 0.348984153101} C4 37 1 14 {} {0.589493021704 0.583487335423 0.386330257287} Si6 38 1 14 {} {0.626981866011 0.734488568523 0.385531629624} Si7 39 1 8 {} {0.539137315613 0.618753356956 0.380435483189} O5 40 1 8 {} {0.590408070561 0.518891983462 0.319286479072} O6 41 1 6 {} {0.6005116392 0.551694364654 0.501323827758} C5 42 1 6 {} {0.645213183616 0.75150655245 0.502656262117} C6 43 1 8 {} {0.572143983531 0.749298567647 0.374115862545} O7 44 1 8 {} {0.654696791446 0.783880260246 0.31560140847} O8 45 1 14 {} {0.584014153755 0.458695079778 0.246218320168} Si8 46 1 7 {} {0.59651319698 0.380542811302 0.289276078884} N4 47 1 14 {} {0.552963861108 0.324172661938 0.312684272131} Si9 48 1 14 {} {0.651124987615 0.35530974069 0.314646781105} Si10 49 1 7 {} {0.692168568742 0.401487040284 0.263424736233} N5 50 1 7 {} {0.52900293557 0.281087622941 0.225714303501} N6 51 1 1 {} {0.666003257351 0.627591042503 0.367684002676} H22 52 1 1 {} {0.631831722867 0.646829400048 0.275335827623} H23 53 1 1 {} {0.541172009399 0.667841872256 0.375828629029} H24 54 1 1 {} {0.632622258181 0.525131333805 0.504221293442} H25 55 1 1 {} {0.574402649859 0.516180723859 0.521691451343} H26 56 1 1 {} {0.601390123038 0.592286219286 0.550826388341} H27 57 1 1 {} {0.639968248204 0.804278338707 0.520861578385} H28 58 1 1 {} {0.680797810175 0.740081634107 0.512034454188} H29 59 1 1 {} {0.626222630231 0.720956658323 0.550394281633} H30 60 1 1 {} {0.56179932083 0.795193595073 0.371062371792} H31 61 1 1 {} {0.672715724355 0.819471530601 0.340584439026} H32 62 1 1 {} {0.53635388961 0.45663015698 0.217546871097} H33 63 1 1 {} {0.613162823915 0.47477275792 0.16866947504} H34 64 1 1 {} {0.572889381348 0.273458771329 0.37386024522} H35 65 1 1 {} {0.516159518005 0.361934321121 0.356085475565} H36 66 1 1 {} {0.660356769276 0.361414855961 0.412123885892} H37 67 1 1 {} {0.654969542568 0.283895689207 0.286475744041} H38 68 1 1 {} {0.705447909021 0.442293108365 0.293678473477} H39 69 1 1 {} {0.695094101513 0.404431264052 0.196050444929} H40 70 1 1 {} {0.506736674302 0.304307762812 0.18493970817} H41 71 1 1 {} {0.546439350272 0.245628983242 0.191834909059} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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