#MD System 2.0 @Title neb0_image09 @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 {} {0.223627838466 0.52531255672 0.339862366795} C1 1 1 14 {} {0.27759201254 0.488362016155 0.298097691508} Si1 2 1 14 {} {0.176943657307 0.533792948354 0.258878583889} Si2 3 1 8 {} {0.290165912182 0.521418151666 0.200252778944} O1 4 1 8 {} {0.317515685996 0.508713594081 0.369080205501} O2 5 1 6 {} {0.275614231218 0.395147073439 0.291039423737} C2 6 1 6 {} {0.145399185547 0.454075409531 0.241125993927} C3 7 1 8 {} {0.201448794553 0.559716919835 0.164650921192} O3 8 1 8 {} {0.14158817236 0.594890618454 0.285803752098} O4 9 1 14 {} {0.369022884797 0.537562783141 0.373941835422} Si3 10 1 7 {} {0.403144969541 0.474311215396 0.416417378759} N1 11 1 14 {} {0.456101767512 0.470593119548 0.372031124689} Si4 12 1 14 {} {0.383261082604 0.420304854248 0.498853639188} Si5 13 1 7 {} {0.354280957633 0.458257229941 0.583894616045} N2 14 1 7 {} {0.473078997781 0.555399164578 0.369934703482} N3 15 1 1 {} {0.212031089409 0.49669065992 0.398354309608} H1 16 1 1 {} {0.231481043029 0.576139188235 0.364057504956} H2 17 1 1 {} {0.264630602859 0.541525125559 0.169511120886} H3 18 1 1 {} {0.270456170044 0.372160981154 0.356877721496} H4 19 1 1 {} {0.307329834226 0.376107206108 0.264281262769} H5 20 1 1 {} {0.248833519035 0.378033542523 0.246349245127} H6 21 1 1 {} {0.118880431169 0.460270294987 0.191073584673} H7 22 1 1 {} {0.129871768728 0.436334429613 0.303325916565} H8 23 1 1 {} {0.167811233577 0.414276135069 0.217523070704} H9 24 1 1 {} {0.182939806954 0.582737857353 0.121381327568} H10 25 1 1 {} {0.113207605813 0.582551988535 0.311906877561} H11 26 1 1 {} {0.385307153702 0.557461033951 0.284229218755} H12 27 1 1 {} {0.367923757522 0.59628949016 0.435145199214} H13 28 1 1 {} {0.482063866551 0.421674493004 0.426698703322} H14 29 1 1 {} {0.460338847535 0.454585420391 0.276694614583} H15 30 1 1 {} {0.35190440678 0.371199929602 0.458392823141} H16 31 1 1 {} {0.422881345069 0.386145821277 0.537788861861} H17 32 1 1 {} {0.322656582707 0.474661388406 0.573030657471} H18 33 1 1 {} {0.370251572168 0.488584613509 0.627971972968} H19 34 1 1 {} {0.500451994064 0.566747906137 0.335458028554} H20 35 1 1 {} {0.477554925732 0.575640411406 0.430338876761} H21 36 1 6 {} {0.637319991205 0.640897755019 0.472688269863} C4 37 1 14 {} {0.599354865182 0.57742489673 0.425596451705} Si6 38 1 14 {} {0.634271943752 0.727141270671 0.427911166583} Si7 39 1 8 {} {0.594253427286 0.585087966578 0.316312130385} O5 40 1 8 {} {0.616788845057 0.501841101382 0.448947600164} O6 41 1 6 {} {0.544669338926 0.585750267092 0.480950917744} C5 42 1 6 {} {0.586626659256 0.77759033528 0.472652927826} C6 43 1 8 {} {0.629918212415 0.716328446214 0.317418499302} O7 44 1 8 {} {0.681791904469 0.768593437196 0.443590333529} O8 45 1 14 {} {0.627383987316 0.423966836546 0.421293468113} Si8 46 1 7 {} {0.582074409175 0.37186340569 0.439452569787} N4 47 1 14 {} {0.562566558648 0.322545100174 0.350934518898} Si9 48 1 14 {} {0.557424450734 0.368493158612 0.545975312061} Si10 49 1 7 {} {0.592683669087 0.387273939418 0.632636728283} N5 50 1 7 {} {0.597531030988 0.259926119976 0.313534319559} N6 51 1 1 {} {0.632388057792 0.641955477978 0.545512037392} H22 52 1 1 {} {0.671064473031 0.62196844883 0.46033495044} H23 53 1 1 {} {0.606911811524 0.627081880075 0.293663296399} H24 54 1 1 {} {0.541495216181 0.573502301661 0.552444230372} H25 55 1 1 {} {0.528180705829 0.54371979097 0.450701161156} H26 56 1 1 {} {0.527138323406 0.631424282962 0.464618009901} H27 57 1 1 {} {0.585862762751 0.828057787697 0.443246801292} H28 58 1 1 {} {0.588667729345 0.783133383546 0.545594127649} H29 59 1 1 {} {0.554543731956 0.753480693039 0.457484059532} H30 60 1 1 {} {0.637912504302 0.753780544549 0.27951415952} H31 61 1 1 {} {0.682156449025 0.803593338723 0.488226052989} H32 62 1 1 {} {0.638910325174 0.419008063165 0.324491271751} H33 63 1 1 {} {0.666563702807 0.403720290911 0.476081571005} H34 64 1 1 {} {0.520739603624 0.2906327674 0.383746526799} H35 65 1 1 {} {0.554322110403 0.365525392835 0.271400622387} H36 66 1 1 {} {0.520387705957 0.417936764168 0.552878364739} H37 67 1 1 {} {0.540150907949 0.299101079903 0.557659637807} H38 68 1 1 {} {0.599157410994 0.435904339067 0.647865837164} H39 69 1 1 {} {0.619699900773 0.35817442426 0.646100338834} H40 70 1 1 {} {0.622127229169 0.271030558988 0.2693212082} H41 71 1 1 {} {0.607044187902 0.222171747638 0.354772723871} 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