#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 {} {0.205804564538 0.537254818631 0.302841416467} C1 1 1 14 {} {0.258010256211 0.491366828658 0.278417192074} Si1 2 1 14 {} {0.15652316714 0.535156942419 0.229088575331} Si2 3 1 8 {} {0.265776124928 0.492977192044 0.158592771005} O1 4 1 8 {} {0.307592744273 0.509370958046 0.328024322856} O2 5 1 6 {} {0.255209461236 0.399059567122 0.275221991542} C2 6 1 6 {} {0.123863951277 0.456008921665 0.215101845377} C3 7 1 8 {} {0.174930218118 0.551551807517 0.128165844118} O3 8 1 8 {} {0.126195213655 0.593161838398 0.284310810337} O4 9 1 14 {} {0.355864890058 0.549147318845 0.354446265416} Si3 10 1 7 {} {0.391714726839 0.488764604083 0.394752365853} N1 11 1 14 {} {0.437309225775 0.462819136677 0.326563180247} Si4 12 1 14 {} {0.374607360822 0.428536161827 0.477789485923} Si5 13 1 7 {} {0.331698284464 0.448201484466 0.559080854778} N2 14 1 7 {} {0.459568661956 0.540382255869 0.329821671232} N3 15 1 1 {} {0.195900250134 0.506961608636 0.359228254518} H1 16 1 1 {} {0.220468979093 0.587496782521 0.317753103657} H2 17 1 1 {} {0.253857206934 0.544463831306 0.127584553228} H3 18 1 1 {} {0.248012376171 0.36064437174 0.328470147824} H4 19 1 1 {} {0.285381565644 0.37139348785 0.252884164995} H5 20 1 1 {} {0.228981928718 0.388789227842 0.225997570816} H6 21 1 1 {} {0.100589287218 0.47219686625 0.158744767939} H7 22 1 1 {} {0.104602412828 0.442584949628 0.276438706785} H8 23 1 1 {} {0.14601026818 0.414485892302 0.192334318149} H9 24 1 1 {} {0.154351367721 0.590317716841 0.097732483071} H10 25 1 1 {} {0.0949293709918 0.575664873133 0.299109050182} H11 26 1 1 {} {0.371583469195 0.570780007786 0.277447217677} H12 27 1 1 {} {0.351320269659 0.599475641543 0.410442953596} H13 28 1 1 {} {0.460702838711 0.415032296408 0.376553628037} H14 29 1 1 {} {0.439380146639 0.442725379482 0.240942012452} H15 30 1 1 {} {0.345920038407 0.380498910352 0.426266427343} H16 31 1 1 {} {0.413669684486 0.386438097113 0.5054466959} H17 32 1 1 {} {0.303907839067 0.466705545861 0.531425218347} H18 33 1 1 {} {0.340739773008 0.499488274995 0.593846989575} H19 34 1 1 {} {0.492978293509 0.560896008948 0.301778039932} H20 35 1 1 {} {0.45549383115 0.580424159832 0.372849915918} H21 36 1 6 {} {0.658382684144 0.642813216771 0.495132836795} C4 37 1 14 {} {0.617518940383 0.575058714886 0.471883353469} Si6 38 1 14 {} {0.648756491027 0.728191594729 0.453693764934} Si7 39 1 8 {} {0.590796220472 0.590348567524 0.363351606373} O5 40 1 8 {} {0.649943535753 0.506553552155 0.481990957044} O6 41 1 6 {} {0.566427988407 0.578902013656 0.548025988956} C5 42 1 6 {} {0.603261205333 0.78304906328 0.507603619388} C6 43 1 8 {} {0.647450601907 0.711723764985 0.342559112749} O7 44 1 8 {} {0.693294425691 0.785685013594 0.453415271029} O8 45 1 14 {} {0.650043041356 0.425607647734 0.463295119514} Si8 46 1 7 {} {0.608338061236 0.367352484456 0.462397294875} N4 47 1 14 {} {0.59140412005 0.320691285537 0.379248762014} Si9 48 1 14 {} {0.570046910563 0.353448567621 0.540619862932} Si10 49 1 7 {} {0.633149804215 0.391451515706 0.649374995364} N5 50 1 7 {} {0.59959959001 0.254752466586 0.306726415268} N6 51 1 1 {} {0.657611131394 0.640033039668 0.567644552065} H22 52 1 1 {} {0.695636545976 0.64128717823 0.477291044233} H23 53 1 1 {} {0.618469948332 0.617795811193 0.323939310048} H24 54 1 1 {} {0.55210882767 0.586286244768 0.623927944805} H25 55 1 1 {} {0.558188110732 0.527356129947 0.512471445174} H26 56 1 1 {} {0.54296384558 0.61882086483 0.505088916257} H27 57 1 1 {} {0.602459358318 0.8308950021 0.467705051159} H28 58 1 1 {} {0.603924981094 0.791693235339 0.581783524339} H29 59 1 1 {} {0.570308077685 0.761058298889 0.494097497332} H30 60 1 1 {} {0.658803463377 0.747834295035 0.300284534437} H31 61 1 1 {} {0.697449854938 0.80518027853 0.508754996702} H32 62 1 1 {} {0.656861523737 0.419019205967 0.353951135337} H33 63 1 1 {} {0.690750219735 0.406518687889 0.518002626252} H34 64 1 1 {} {0.541451605674 0.309769160196 0.41382737007} H35 65 1 1 {} {0.575342583072 0.372516557072 0.300838110623} H36 66 1 1 {} {0.532086279271 0.393443824613 0.604264791206} H37 67 1 1 {} {0.569777206625 0.276187032507 0.593256173628} H38 68 1 1 {} {0.607291912523 0.429243558563 0.671082717277} H39 69 1 1 {} {0.633617061685 0.365582975317 0.685466995652} H40 70 1 1 {} {0.629219659398 0.265420958186 0.277127730463} H41 71 1 1 {} {0.611492565683 0.20450530496 0.354189228386} 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