#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 {} {0.205094472967 0.52875440421 0.3098210223} C1 1 1 14 {} {0.259024824151 0.491728160565 0.268077464455} Si1 2 1 14 {} {0.158371066688 0.537200993635 0.228874054494} Si2 3 1 8 {} {0.271610381516 0.524751635314 0.170203476809} O1 4 1 8 {} {0.299015943699 0.511962898661 0.338933043881} O2 5 1 6 {} {0.257043109027 0.398552516816 0.261074369631} C2 6 1 6 {} {0.126837541565 0.457476087355 0.211112365786} C3 7 1 8 {} {0.182840322559 0.562932747566 0.134524239373} O3 8 1 8 {} {0.123055872735 0.59835991384 0.25588269025} O4 9 1 14 {} {0.350523444547 0.540940934648 0.344137427167} Si3 10 1 7 {} {0.385261345538 0.478048758935 0.385780062149} N1 11 1 14 {} {0.439651821557 0.476417432404 0.344768443757} Si4 12 1 14 {} {0.364899292809 0.423852635844 0.468551697885} Si5 13 1 7 {} {0.335698724382 0.461557570653 0.553950848326} N2 14 1 7 {} {0.461627789163 0.556107020437 0.350914611372} N3 15 1 1 {} {0.193484375818 0.50012556036 0.368286617585} H1 16 1 1 {} {0.21295878122 0.579594137232 0.333948375637} H2 17 1 1 {} {0.246125468368 0.544943476299 0.139428860746} H3 18 1 1 {} {0.251885794965 0.375499637125 0.326869090971} H4 19 1 1 {} {0.288765979565 0.379508525557 0.234310697609} H5 20 1 1 {} {0.23027813752 0.381493550413 0.216342108766} H6 21 1 1 {} {0.100340298768 0.463708976542 0.161033549077} H7 22 1 1 {} {0.111289833283 0.439748877462 0.273288944029} H8 23 1 1 {} {0.149251677979 0.41767573414 0.187497910474} H9 24 1 1 {} {0.164358075268 0.58614613106 0.0913813003412} H10 25 1 1 {} {0.0946669106008 0.585951487909 0.281917370672} H11 26 1 1 {} {0.366903952223 0.560961822485 0.254251526099} H12 27 1 1 {} {0.349362243254 0.599809269577 0.405190932109} H13 28 1 1 {} {0.463663241886 0.423987356069 0.397367256315} H14 29 1 1 {} {0.441765311507 0.459047149631 0.247977232755} H15 30 1 1 {} {0.333435601653 0.374698198911 0.428238567358} H16 31 1 1 {} {0.404362186003 0.38955044582 0.507789993586} H17 32 1 1 {} {0.304096316367 0.478052338795 0.542908202586} H18 33 1 1 {} {0.351678330504 0.492051996899 0.597898918668} H19 34 1 1 {} {0.484544701163 0.57106636556 0.304991438132} H20 35 1 1 {} {0.467390852836 0.578350833023 0.410792504611} H21 36 1 6 {} {0.655123272239 0.637130588911 0.502788779439} C4 37 1 14 {} {0.615623839997 0.573302162275 0.454998694731} Si6 38 1 14 {} {0.652719295352 0.723792001323 0.457977075863} Si7 39 1 8 {} {0.61321078461 0.581599549964 0.345370541406} O5 40 1 8 {} {0.635389921424 0.498551507507 0.479233719436} O6 41 1 6 {} {0.558561606059 0.579403453456 0.504243527908} C5 42 1 6 {} {0.605158663323 0.774253951001 0.502744686491} C6 43 1 8 {} {0.648416881984 0.712994188124 0.347492101794} O7 44 1 8 {} {0.700321224362 0.765207075534 0.473542369598} O8 45 1 14 {} {0.645959518392 0.420672705065 0.451277264683} Si8 46 1 7 {} {0.600650534155 0.368502232586 0.469553720522} N4 47 1 14 {} {0.581079425496 0.319214618015 0.380791062314} Si9 48 1 14 {} {0.575860999859 0.365044406899 0.575612867446} Si10 49 1 7 {} {0.611288732068 0.383980396763 0.662771640855} N5 50 1 7 {} {0.615976542649 0.256534826209 0.343439162178} N6 51 1 1 {} {0.650998438288 0.638647632769 0.575884049152} H22 52 1 1 {} {0.689199580071 0.618426349783 0.490325254383} H23 53 1 1 {} {0.625608969517 0.623874612116 0.323467323867} H24 54 1 1 {} {0.558635546511 0.569542488157 0.576389430913} H25 55 1 1 {} {0.536573013883 0.542381866607 0.472395656927} H26 56 1 1 {} {0.544082391665 0.629333445059 0.493204406946} H27 57 1 1 {} {0.604404410291 0.824657741841 0.473296231245} H28 58 1 1 {} {0.607200277501 0.779791505922 0.575682901212} H29 59 1 1 {} {0.573088507004 0.750099705218 0.487543872948} H30 60 1 1 {} {0.656481899356 0.750374289251 0.309530909365} H31 61 1 1 {} {0.700691895628 0.800176384023 0.518221366994} H32 62 1 1 {} {0.657455449317 0.415607782646 0.354598610167} H33 63 1 1 {} {0.685136938148 0.400301404934 0.506189479315} H34 64 1 1 {} {0.539296431329 0.287379022038 0.413792259914} H35 65 1 1 {} {0.572889492736 0.362149078383 0.301371933712} H36 66 1 1 {} {0.538699524209 0.414451969096 0.582268672222} H37 67 1 1 {} {0.55878013193 0.295656628786 0.587682781886} H38 68 1 1 {} {0.617647606382 0.432462782643 0.677788495826} H39 69 1 1 {} {0.638105927474 0.354871640542 0.676031384327} H40 70 1 1 {} {0.640642057374 0.267620755555 0.299249189806} H41 71 1 1 {} {0.625554105338 0.218696605118 0.384739483706} 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