#MD System 2.0 @Title neb0_image03 @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 {} {0.207763947237 0.528219836213 0.314038554013} C1 1 1 14 {} {0.26162761164 0.491138674103 0.272165846249} Si1 2 1 14 {} {0.161066327187 0.536699484743 0.233084032484} Si2 3 1 8 {} {0.274174029909 0.523991712625 0.174186852791} O1 4 1 8 {} {0.301659525158 0.511522876259 0.343085871089} O2 5 1 6 {} {0.259630709799 0.397973018893 0.265362225362} C2 6 1 6 {} {0.129464710894 0.45703410724 0.215291428197} C3 7 1 8 {} {0.185530918315 0.562554795867 0.138783283625} O3 8 1 8 {} {0.125750189862 0.597826427239 0.260202007633} O4 9 1 14 {} {0.353101044994 0.540487317484 0.348432910972} Si3 10 1 7 {} {0.387825768852 0.477526085164 0.390047052641} N1 11 1 14 {} {0.442149134429 0.475870413358 0.348669129171} Si4 12 1 14 {} {0.3674478068 0.423294667758 0.472809467721} Si5 13 1 7 {} {0.338292582156 0.461086986357 0.558230775536} N2 14 1 7 {} {0.463821631309 0.555808493067 0.354379271357} N3 15 1 1 {} {0.196103027283 0.499652953261 0.372523681131} H1 16 1 1 {} {0.215589745049 0.579086046867 0.338111086094} H2 17 1 1 {} {0.248706039677 0.544460158007 0.143604626069} H3 18 1 1 {} {0.254454163769 0.37494306502 0.331172358853} H4 19 1 1 {} {0.29134806331 0.378974812676 0.238559153443} H5 20 1 1 {} {0.232853731828 0.381001677114 0.220569968104} H6 21 1 1 {} {0.102951332793 0.463283690117 0.165230082136} H7 22 1 1 {} {0.113896075804 0.439351329948 0.277477900486} H8 23 1 1 {} {0.151826091403 0.417160480674 0.19170876422} H9 24 1 1 {} {0.166999067987 0.585680450767 0.0956510739048} H10 25 1 1 {} {0.0973370448767 0.585413719775 0.28610341048} H11 26 1 1 {} {0.36954880235 0.560542459609 0.258573888102} H12 27 1 1 {} {0.351956855651 0.599342842324 0.409541734963} H13 28 1 1 {} {0.466285514883 0.423591948962 0.401466297358} H14 29 1 1 {} {0.444287607968 0.458296062028 0.251930145994} H15 30 1 1 {} {0.336011460309 0.374166413482 0.432419074654} H16 31 1 1 {} {0.406946111126 0.389048571466 0.511952177048} H17 32 1 1 {} {0.306679545453 0.477565531065 0.547105227365} H18 33 1 1 {} {0.354269442314 0.491570434256 0.602079080603} H19 34 1 1 {} {0.487112437773 0.570387533543 0.308989347859} H20 35 1 1 {} {0.469427321862 0.57791348934 0.414470732122} H21 36 1 6 {} {0.65262402537 0.637731463268 0.49857528687} C4 37 1 14 {} {0.613171379866 0.573856732464 0.45094884255} Si6 38 1 14 {} {0.650198591008 0.724335976827 0.453708046787} Si7 39 1 8 {} {0.610444663004 0.582184496824 0.341265039594} O5 40 1 8 {} {0.632907070529 0.499141824676 0.474985001139} O6 41 1 6 {} {0.55620437419 0.579936283352 0.500517069024} C5 42 1 6 {} {0.602560469018 0.774736582553 0.4984294966} C6 43 1 8 {} {0.646102846736 0.713414864045 0.343196901092} O7 44 1 8 {} {0.697775944405 0.7657206283 0.469418848906} O8 45 1 14 {} {0.643345819097 0.421199107861 0.447217732084} Si8 46 1 7 {} {0.597991586258 0.368983185094 0.465280216771} N4 47 1 14 {} {0.578404412686 0.319777443428 0.376750867915} Si9 48 1 14 {} {0.573278732179 0.365602186645 0.571707019573} Si10 49 1 7 {} {0.608336431804 0.384363971898 0.658208508282} N5 50 1 7 {} {0.613372589196 0.256930303607 0.339217331735} N6 51 1 1 {} {0.648406540054 0.639150505306 0.571631835873} H22 52 1 1 {} {0.686701555667 0.619017024969 0.486106911282} H23 53 1 1 {} {0.62296734579 0.624321250932 0.319185289607} H24 54 1 1 {} {0.556250611009 0.570214552575 0.572713272516} H25 55 1 1 {} {0.534470592981 0.54259595006 0.46870075681} H26 56 1 1 {} {0.541593217017 0.62970413476 0.489187097177} H27 57 1 1 {} {0.601787752258 0.82516330177 0.469046035962} H28 58 1 1 {} {0.604614945447 0.780283242583 0.571373959462} H29 59 1 1 {} {0.570478447835 0.750588741083 0.483315178014} H30 60 1 1 {} {0.653888647095 0.750886749745 0.305219524568} H31 61 1 1 {} {0.698079900194 0.800762845683 0.514084804979} H32 62 1 1 {} {0.65481933283 0.416125056034 0.350426112807} H33 63 1 1 {} {0.682524955761 0.400819161576 0.501985374467} H34 64 1 1 {} {0.536616515687 0.28787007587 0.40963047663} H35 65 1 1 {} {0.570222626622 0.362661333238 0.297197558227} H36 66 1 1 {} {0.53601572534 0.414912098215 0.578180384468} H37 67 1 1 {} {0.55615361722 0.296053305436 0.583515923656} H38 68 1 1 {} {0.615048057896 0.433173863599 0.673627637948} H39 69 1 1 {} {0.635652134712 0.35523429839 0.671921383391} H40 70 1 1 {} {0.637924544461 0.268130973667 0.295012039248} H41 71 1 1 {} {0.622846447722 0.219250820758 0.3803118232} 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