#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 {} {0.210834365603 0.527814407453 0.318502286731} C1 1 1 14 {} {0.264492512375 0.49030422264 0.276988810747} Si1 2 1 14 {} {0.164226505549 0.536054661315 0.237767702785} Si2 3 1 8 {} {0.276666754827 0.521437862424 0.177866200702} O1 4 1 8 {} {0.304424653718 0.511500079688 0.34751241232} O2 5 1 6 {} {0.262621476241 0.397195012803 0.270604562105} C2 6 1 6 {} {0.132512817052 0.456478247333 0.220396783904} C3 7 1 8 {} {0.188472263785 0.562255975728 0.143537296287} O3 8 1 8 {} {0.128887841262 0.596530555846 0.266248269454} O4 9 1 14 {} {0.355878042928 0.540382676716 0.353553113005} Si3 10 1 7 {} {0.390101990484 0.476876004324 0.394959336225} N1 11 1 14 {} {0.443336926505 0.474182646986 0.349853327512} Si4 12 1 14 {} {0.370376009052 0.422579812595 0.478077790457} Si5 13 1 7 {} {0.341023158727 0.460209681574 0.563361855275} N2 14 1 7 {} {0.461460659502 0.556474694452 0.350001425403} N3 15 1 1 {} {0.199206795974 0.499207440383 0.376922820195} H1 16 1 1 {} {0.218958806324 0.578620885603 0.342394892623} H2 17 1 1 {} {0.251729239901 0.543873679669 0.147864819102} H3 18 1 1 {} {0.257330118384 0.373756038871 0.336007822053} H4 19 1 1 {} {0.294261627194 0.37785333175 0.243977192372} H5 20 1 1 {} {0.235855298381 0.380490022008 0.225699641738} H6 21 1 1 {} {0.106051589172 0.463090104437 0.170282225873} H7 22 1 1 {} {0.116837731988 0.439092847914 0.282703605638} H8 23 1 1 {} {0.154693153985 0.416359412137 0.196862944363} H9 24 1 1 {} {0.169742967128 0.585442356446 0.10061632359} H10 25 1 1 {} {0.10032360794 0.583965490033 0.291648751378} H11 26 1 1 {} {0.372444467529 0.560201097598 0.264248023015} H12 27 1 1 {} {0.354947459228 0.598843772698 0.414720185687} H13 28 1 1 {} {0.469238064746 0.424758386603 0.404807025855} H14 29 1 1 {} {0.446515416296 0.45468271523 0.254670437104} H15 30 1 1 {} {0.339063804412 0.373400102166 0.437318586775} H16 31 1 1 {} {0.41012934991 0.388382281457 0.516443314037} H17 32 1 1 {} {0.309528905961 0.476820952493 0.551875123429} H18 33 1 1 {} {0.356893651267 0.491160737866 0.606956917981} H19 34 1 1 {} {0.489256930202 0.567759188711 0.312448588624} H20 35 1 1 {} {0.465716784455 0.578288089875 0.410581479334} H21 36 1 6 {} {0.6509453688 0.639020555147 0.493509257242} C4 37 1 14 {} {0.611796625565 0.575228093104 0.448177821171} Si6 38 1 14 {} {0.647366222908 0.725252400251 0.448272055265} Si7 39 1 8 {} {0.605723223583 0.583492216702 0.338577269651} O5 40 1 8 {} {0.631125151609 0.499977885167 0.470564016712} O6 41 1 6 {} {0.55661919693 0.581376516895 0.502880745514} C5 42 1 6 {} {0.599536601305 0.775557602466 0.493120504506} C6 43 1 8 {} {0.643903962852 0.713700935221 0.337818352688} O7 44 1 8 {} {0.694589515682 0.767378455254 0.464076659216} O8 45 1 14 {} {0.640579336942 0.421710440057 0.442831465173} Si8 46 1 7 {} {0.594899488354 0.369997377752 0.460636339057} N4 47 1 14 {} {0.575413780491 0.320562181176 0.371617577928} Si9 48 1 14 {} {0.570208371908 0.3659854877 0.566870264324} Si10 49 1 7 {} {0.605495030176 0.38487937488 0.653895103934} N5 50 1 7 {} {0.610168556854 0.257781324824 0.333802677218} N6 51 1 1 {} {0.645937445177 0.639821730566 0.566342927911} H22 52 1 1 {} {0.685086109307 0.621037547291 0.48124823481} H23 53 1 1 {} {0.619414178601 0.624245288006 0.314544723879} H24 54 1 1 {} {0.555586091033 0.573151373547 0.57536853165} H25 55 1 1 {} {0.538092962599 0.540255709408 0.471206550793} H26 56 1 1 {} {0.540010552427 0.629050590449 0.486974408881} H27 57 1 1 {} {0.598735980392 0.826059082195 0.463722107892} H28 58 1 1 {} {0.601612128136 0.781141678708 0.566160017098} H29 59 1 1 {} {0.56730965789 0.751678824971 0.478366207389} H30 60 1 1 {} {0.650970015811 0.751434814309 0.299733797639} H31 61 1 1 {} {0.695070901611 0.801710792234 0.509260259395} H32 62 1 1 {} {0.651881382443 0.416970787715 0.345899638889} H33 63 1 1 {} {0.679805397503 0.40134379643 0.497743634003} H34 64 1 1 {} {0.533649179441 0.288762929818 0.40427816339} H35 65 1 1 {} {0.567107761197 0.363345715385 0.291957845901} H36 66 1 1 {} {0.532782057766 0.414940542139 0.574125959695} H37 67 1 1 {} {0.553452844884 0.296132852307 0.578378870084} H38 68 1 1 {} {0.612002758242 0.433764371994 0.668264083898} H39 69 1 1 {} {0.632684999789 0.356110828796 0.667323125377} H40 70 1 1 {} {0.634662579282 0.26865069637 0.289398095271} H41 71 1 1 {} {0.619410574934 0.219466584383 0.37457898106} 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