#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 WyckoffPosition int -1 @end @data 6 {} {0.211182819687 0.527610845759 0.318589131357} C1 1 1 14 {} {0.264883307741 0.48994778629 0.277229088046} Si1 2 1 14 {} {0.164424426248 0.535959015114 0.238368530283} Si2 3 1 8 {} {0.276881182135 0.520281492155 0.177499713016} O1 4 1 8 {} {0.304385968927 0.512112554816 0.347907597813} O2 5 1 6 {} {0.262830894582 0.396714511239 0.271483319681} C2 6 1 6 {} {0.132805875565 0.456428532871 0.220828940153} C3 7 1 8 {} {0.188511710084 0.562541543722 0.143889992309} O3 8 1 8 {} {0.128972214096 0.596603944582 0.267367614132} O4 9 1 14 {} {0.355905954499 0.54021841161 0.353638587716} Si3 10 1 7 {} {0.389897408378 0.476378453785 0.394313342474} N1 11 1 14 {} {0.443206856119 0.474050572294 0.34838271081} Si4 12 1 14 {} {0.370521834088 0.422489305215 0.47774426528} Si5 13 1 7 {} {0.341338013495 0.459970016371 0.563737009763} N2 14 1 7 {} {0.46030357156 0.556579193737 0.346093417617} N3 15 1 1 {} {0.199612583356 0.499475257564 0.377444676297} H1 16 1 1 {} {0.219392149329 0.57838155612 0.342393027118} H2 17 1 1 {} {0.252014022677 0.543228527279 0.148320100918} H3 18 1 1 {} {0.257374443914 0.373345084197 0.336967146609} H4 19 1 1 {} {0.294462212068 0.377405935871 0.244629181498} H5 20 1 1 {} {0.236095084446 0.380135634571 0.226264063818} H6 21 1 1 {} {0.106353692998 0.463095364571 0.170817922066} H7 22 1 1 {} {0.117104201241 0.43931647784 0.28311728971} H8 23 1 1 {} {0.154770786804 0.416032314868 0.19747567545} H9 24 1 1 {} {0.169841107634 0.58561523315 0.101216206393} H10 25 1 1 {} {0.100681845956 0.58314876965 0.292477493139} H11 26 1 1 {} {0.372393633665 0.560489905498 0.264473779993} H12 27 1 1 {} {0.355050644327 0.598696495069 0.415695063936} H13 28 1 1 {} {0.469484863819 0.426454908663 0.403111286008} H14 29 1 1 {} {0.445251754603 0.451140474337 0.253337698175} H15 30 1 1 {} {0.339119220486 0.372668681581 0.438399490772} H16 31 1 1 {} {0.410277867852 0.388455816626 0.51701777311} H17 32 1 1 {} {0.30966486269 0.476438674751 0.552262186282} H18 33 1 1 {} {0.356878042907 0.491131084514 0.607414385219} H19 34 1 1 {} {0.488643168064 0.566703394932 0.311010498902} H20 35 1 1 {} {0.461810595756 0.580228757061 0.406190497154} H21 36 1 6 {} {0.652235718146 0.639616715254 0.493224891242} C4 37 1 14 {} {0.612325151781 0.575458498459 0.449348188572} Si6 38 1 14 {} {0.647583955381 0.725797400531 0.447580318191} Si7 39 1 8 {} {0.604501460571 0.584001556463 0.340971893896} O5 40 1 8 {} {0.632163218592 0.50031869925 0.470484539083} O6 41 1 6 {} {0.557276396939 0.580485773233 0.505283473681} C5 42 1 6 {} {0.599332332366 0.775567880219 0.492011425578} C6 43 1 8 {} {0.644022795326 0.713880427031 0.33732330482} O7 44 1 8 {} {0.694601012518 0.768900156451 0.462778999264} O8 45 1 14 {} {0.640661016549 0.421899999977 0.442538500651} Si8 46 1 7 {} {0.594665382179 0.370437225595 0.459920459358} N4 47 1 14 {} {0.575141306737 0.321168005682 0.371090583355} Si9 48 1 14 {} {0.570053941308 0.365727241399 0.566507575503} Si10 49 1 7 {} {0.605295854355 0.385148960733 0.653662220934} N5 50 1 7 {} {0.609707045509 0.258186538535 0.333404445456} N6 51 1 1 {} {0.647044397635 0.640766952299 0.56604169509} H22 52 1 1 {} {0.686833644744 0.622862238026 0.481458648119} H23 53 1 1 {} {0.61837455174 0.623780747438 0.314882712896} H24 54 1 1 {} {0.558149619969 0.575231273564 0.57838169049} H25 55 1 1 {} {0.538167758715 0.538578212986 0.477110297019} H26 56 1 1 {} {0.540130138866 0.627436778009 0.488692275959} H27 57 1 1 {} {0.598498367628 0.826160588698 0.462993077979} H28 58 1 1 {} {0.601586468391 0.781328912037 0.564906843584} H29 59 1 1 {} {0.567030491966 0.751856012564 0.477556954909} H30 60 1 1 {} {0.650784187508 0.751505580086 0.298652423791} H31 61 1 1 {} {0.694771145702 0.802703589888 0.509498811514} H32 62 1 1 {} {0.651785583136 0.416856457221 0.345572727147} H33 63 1 1 {} {0.679611875559 0.40072466235 0.497521742979} H34 64 1 1 {} {0.533244497764 0.289091353181 0.404012775075} H35 65 1 1 {} {0.566847504745 0.363906439683 0.29134844014} H36 66 1 1 {} {0.532505957534 0.414195361623 0.574012681848} H37 67 1 1 {} {0.553500441423 0.296078291889 0.577821264031} H38 68 1 1 {} {0.611587844443 0.433930870052 0.66768226998} H39 69 1 1 {} {0.632422070086 0.356214244585 0.666899135655} H40 70 1 1 {} {0.63416422955 0.268633005073 0.288377593153} H41 71 1 1 {} {0.618741592344 0.219391693326 0.37314455824} 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