#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 {} {0.360062089684 0.551417019247 0.413656564222} C1 1 1 14 {} {0.336664284302 0.524810663855 0.524340608348} Si1 2 1 14 {} {0.421651629501 0.562225429667 0.40939679784} Si2 3 1 8 {} {0.349873659061 0.581591306118 0.600316354371} O1 4 1 8 {} {0.281799386005 0.523030953586 0.517194328227} O2 5 1 6 {} {0.355641396769 0.439584478899 0.559053617254} C2 6 1 6 {} {0.452881098931 0.4819384789 0.394715592314} C3 7 1 8 {} {0.434634990683 0.597185440291 0.508231371815} O3 8 1 8 {} {0.434741806087 0.613625474346 0.326312425078} O4 9 1 14 {} {0.231326685112 0.527521890537 0.558571073408} Si3 10 1 7 {} {0.211696862763 0.449579584455 0.59279706996} N1 11 1 14 {} {0.189234531883 0.441224927584 0.700225797011} Si4 12 1 14 {} {0.212151644429 0.381900074915 0.517683132242} Si5 13 1 7 {} {0.206108140817 0.403147630935 0.407303173054} N2 14 1 7 {} {0.138793271394 0.480193956394 0.720464881448} N3 15 1 1 {} {0.350046208879 0.515678855112 0.361366574583} H1 16 1 1 {} {0.344446731161 0.599767479588 0.396651073134} H2 17 1 1 {} {0.379763797104 0.599935895964 0.590767537856} H3 18 1 1 {} {0.346913390123 0.401034350665 0.509691073739} H4 19 1 1 {} {0.339890956672 0.425774130602 0.62273259468} H5 20 1 1 {} {0.391959785411 0.438359518173 0.569041051824} H6 21 1 1 {} {0.488941907794 0.49151965588 0.391642222558} H7 22 1 1 {} {0.443301886264 0.45764592964 0.33174025451} H8 23 1 1 {} {0.446685486381 0.446407113195 0.44921834266} H9 24 1 1 {} {0.465380169165 0.611719023216 0.514401143764} H10 25 1 1 {} {0.466727308977 0.616017493813 0.315113162833} H11 26 1 1 {} {0.22966691223 0.571857223155 0.638791504302} H12 27 1 1 {} {0.202464495795 0.555771951268 0.486895817383} H13 28 1 1 {} {0.182557762523 0.368115154777 0.714509789673} H14 29 1 1 {} {0.220774107983 0.470434649856 0.766326917055} H15 30 1 1 {} {0.255445686111 0.345266786483 0.523483962388} H16 31 1 1 {} {0.174569358537 0.337243100325 0.544325623826} H17 32 1 1 {} {0.23313256263 0.417732580761 0.371257835398} H18 33 1 1 {} {0.178131055045 0.426491179181 0.385093081288} H19 34 1 1 {} {0.13801150768 0.529837959123 0.735380344164} H20 35 1 1 {} {0.110767147503 0.466463422973 0.686899304327} H21 36 1 6 {} {0.630777585267 0.641152080813 0.349316330068} C4 37 1 14 {} {0.587664100729 0.578724057819 0.38671842106} Si6 38 1 14 {} {0.625121916141 0.729684072578 0.385835308197} Si7 39 1 8 {} {0.537450724656 0.61456375455 0.38115696877} O5 40 1 8 {} {0.58834540524 0.514160602815 0.319488452909} O6 41 1 6 {} {0.59868539788 0.546757697388 0.501608455456} C5 42 1 6 {} {0.643331125285 0.74671007245 0.502981131347} C6 43 1 8 {} {0.570282344655 0.744481906116 0.374340544945} O7 44 1 8 {} {0.652913929864 0.779033448204 0.31598014621} O8 45 1 14 {} {0.582084122832 0.453901296364 0.246544229968} Si8 46 1 7 {} {0.594591504539 0.375717339747 0.289675466326} N4 47 1 14 {} {0.550973870483 0.319464929429 0.313171992298} Si9 48 1 14 {} {0.649170893112 0.350469333017 0.314993266112} Si10 49 1 7 {} {0.690179551679 0.396665992548 0.263845989797} N5 50 1 7 {} {0.527043073625 0.276271513313 0.226123743138} N6 51 1 1 {} {0.664168469358 0.622839918362 0.368092591208} H22 52 1 1 {} {0.630018685643 0.641986322337 0.275689735952} H23 53 1 1 {} {0.53987675436 0.663638412079 0.37650137213} H24 54 1 1 {} {0.630805622103 0.520211278761 0.504436150831} H25 55 1 1 {} {0.572581498197 0.511248424229 0.522008389685} H26 56 1 1 {} {0.599604480222 0.587329313677 0.55118001825} H27 57 1 1 {} {0.638073089523 0.799493167036 0.521193082681} H28 58 1 1 {} {0.678926125562 0.735311179085 0.512367911743} H29 59 1 1 {} {0.624343768427 0.716177704611 0.550765864828} H30 60 1 1 {} {0.559856948984 0.790334940907 0.371449595887} H31 61 1 1 {} {0.670818012682 0.814724035527 0.341059317629} H32 62 1 1 {} {0.534429988965 0.45183846719 0.217883205644} H33 63 1 1 {} {0.61132123105 0.469934237456 0.169117805133} H34 64 1 1 {} {0.570926914 0.26871509573 0.374350292241} H35 65 1 1 {} {0.514170311965 0.357350057453 0.356484371149} H36 66 1 1 {} {0.658436307334 0.356546955887 0.412464899997} H37 67 1 1 {} {0.653008621158 0.279044043856 0.286848365679} H38 68 1 1 {} {0.703531987543 0.437431076768 0.294133157264} H39 69 1 1 {} {0.693193225149 0.39958139725 0.196416561554} H40 70 1 1 {} {0.504883420516 0.29950329963 0.18538154299} H41 71 1 1 {} {0.544491610786 0.240888079342 0.192354965952} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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