#MD System 2.0 @Title neb0_image02 @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 {} {0.20529574394 0.531021919308 0.307954987551} C1 1 1 14 {} {0.258732844898 0.491614335742 0.270788109516} Si1 2 1 14 {} {0.157883013426 0.536657182113 0.228943375316} Si2 3 1 8 {} {0.270066128451 0.516251860939 0.16709250599} O1 4 1 8 {} {0.301338813943 0.511290819395 0.336056807934} O2 5 1 6 {} {0.256555571428 0.398672031311 0.264863843349} C2 6 1 6 {} {0.126045588001 0.457089360848 0.212184618892} C3 7 1 8 {} {0.180716744387 0.55990089898 0.132801039343} O3 8 1 8 {} {0.123888037322 0.596965366961 0.263491991277} O4 9 1 14 {} {0.351926498003 0.543144303009 0.346892301559} Si3 10 1 7 {} {0.386992158951 0.480916641193 0.388174677845} N1 11 1 14 {} {0.439032985562 0.472774061478 0.339885905839} Si4 12 1 14 {} {0.367494663417 0.42508902777 0.471048791301} Si5 13 1 7 {} {0.334644419676 0.458003544511 0.555346591673} N2 14 1 7 {} {0.461092030791 0.551919657154 0.345217939695} N3 15 1 1 {} {0.194129094997 0.501962959036 0.365872148552} H1 16 1 1 {} {0.214961137599 0.581705718534 0.329619626674} H2 17 1 1 {} {0.248185041875 0.544814558679 0.136262271581} H3 18 1 1 {} {0.250845547382 0.371525294705 0.327319131575} H4 19 1 1 {} {0.28786170143 0.377344588145 0.239273112164} H5 20 1 1 {} {0.22992722122 0.383446725134 0.218915878795} H6 21 1 1 {} {0.1004054298 0.465975242566 0.160421057477} H7 22 1 1 {} {0.109499081449 0.44050500366 0.274127775434} H8 23 1 1 {} {0.14838106257 0.416823018467 0.188793037965} H9 24 1 1 {} {0.161685299127 0.587256059654 0.0930910084279} H10 25 1 1 {} {0.0947420072846 0.58320210159 0.286512447937} H11 26 1 1 {} {0.368160009127 0.563589362146 0.260448316899} H12 27 1 1 {} {0.349885268232 0.599718006464 0.406600219498} H13 28 1 1 {} {0.462872089926 0.42158349921 0.391803079632} H14 29 1 1 {} {0.441123897347 0.454679771763 0.246098030629} H15 30 1 1 {} {0.336771286554 0.376240473534 0.427700060741} H16 31 1 1 {} {0.406848942631 0.388726304708 0.507160487625} H17 32 1 1 {} {0.304036611126 0.475013283097 0.539824551911} H18 33 1 1 {} {0.348749230248 0.49402981196 0.596803808092} H19 34 1 1 {} {0.486792181589 0.568329861039 0.304128632239} H20 35 1 1 {} {0.464204457345 0.578911853639 0.400692277905} H21 36 1 6 {} {0.655997919969 0.63867283352 0.500748830454} C4 37 1 14 {} {0.616142629191 0.57374599123 0.459543941034} Si6 38 1 14 {} {0.651669068916 0.724977995788 0.456849026448} Si7 39 1 8 {} {0.607208060774 0.583932578803 0.350177740828} O5 40 1 8 {} {0.639275926254 0.500708461556 0.479948797433} O6 41 1 6 {} {0.560657809263 0.579276549977 0.515943907775} C5 42 1 6 {} {0.604645546401 0.776604543361 0.50403904372} C6 43 1 8 {} {0.648155924958 0.712658680387 0.346159599723} O7 44 1 8 {} {0.698439974404 0.770662137859 0.468128472474} O8 45 1 14 {} {0.647052935951 0.422008195306 0.45455687377} Si8 46 1 7 {} {0.602686230396 0.368154559558 0.467548526825} N4 47 1 14 {} {0.583834211569 0.319666795276 0.380455378554} Si9 48 1 14 {} {0.574412628796 0.362023237519 0.56650127365} Si10 49 1 7 {} {0.616860569338 0.385887789458 0.658849867269} N5 50 1 7 {} {0.611652786647 0.255945760735 0.33365559122} N6 51 1 1 {} {0.652767005407 0.639018549847 0.573678760583} H22 52 1 1 {} {0.690925236999 0.624537187639 0.486832026733} H23 53 1 1 {} {0.623699747238 0.622254562512 0.323592867824} H24 54 1 1 {} {0.556895330615 0.57402129017 0.58910379034} H25 55 1 1 {} {0.5423522439 0.538359260421 0.483124938197} H26 56 1 1 {} {0.543786305657 0.626511181633 0.496387180656} H27 57 1 1 {} {0.603886108151 0.826328460097 0.471805931521} H28 58 1 1 {} {0.606326598122 0.782977149615 0.577306368214} H29 59 1 1 {} {0.572341275383 0.753028865533 0.48929885288} H30 60 1 1 {} {0.657102370178 0.749690011489 0.307062913881} H31 61 1 1 {} {0.699823248767 0.801533654959 0.515713358021} H32 62 1 1 {} {0.657300819551 0.416518599571 0.354396714791} H33 63 1 1 {} {0.686641767285 0.401963288603 0.509338460064} H34 64 1 1 {} {0.539862456262 0.293359361567 0.413811387037} H35 65 1 1 {} {0.573544500802 0.364940224059 0.301198745938} H36 66 1 1 {} {0.536928314603 0.408822297612 0.588141107978} H37 67 1 1 {} {0.561714589233 0.290428309615 0.589165731157} H38 68 1 1 {} {0.614912659915 0.431801459145 0.676067690062} H39 69 1 1 {} {0.637061287107 0.357586520187 0.678634440818} H40 70 1 1 {} {0.637571026776 0.267022341798 0.293356197065} H41 71 1 1 {} {0.621771057654 0.214979192134 0.376473703705} 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