#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 {} {0.207739555601 0.528222923414 0.314043160403} C1 1 1 14 {} {0.261643103433 0.491177955775 0.272217649854} Si1 2 1 14 {} {0.161052317998 0.536698162661 0.233068360701} Si2 3 1 8 {} {0.274168349953 0.524078768658 0.17424424002} O1 4 1 8 {} {0.30161579302 0.511500237058 0.343066613898} O2 5 1 6 {} {0.259627440341 0.39800399696 0.265317506885} C2 6 1 6 {} {0.129454255541 0.457027501283 0.21528597945} C3 7 1 8 {} {0.185527289213 0.562551137645 0.138772572139} O3 8 1 8 {} {0.125729801283 0.597835351923 0.260149700047} O4 9 1 14 {} {0.353116906261 0.540465424539 0.348403726637} Si3 10 1 7 {} {0.387818827896 0.477516040103 0.390043649218} N1 11 1 14 {} {0.442150932027 0.475887404345 0.348759481678} Si4 12 1 14 {} {0.367439697241 0.423334680852 0.472787620709} Si5 13 1 7 {} {0.338289911609 0.461081556251 0.558172619975} N2 14 1 7 {} {0.463881587378 0.555782843551 0.354534465119} N3 15 1 1 {} {0.196093868782 0.499642639575 0.372511956955} H1 16 1 1 {} {0.215575962061 0.579086616907 0.338129055177} H2 17 1 1 {} {0.248703542539 0.544468083291 0.143612472072} H3 18 1 1 {} {0.254464227196 0.37497523998 0.331134479949} H4 19 1 1 {} {0.29135259258 0.378992862121 0.238530752498} H5 20 1 1 {} {0.23285877753 0.380997339495 0.220555287342} H6 21 1 1 {} {0.102945618551 0.463266908771 0.165232604085} H7 22 1 1 {} {0.113898515585 0.439332017901 0.277478133725} H8 23 1 1 {} {0.151834392135 0.417173839681 0.191701150091} H9 24 1 1 {} {0.166998560698 0.585670444626 0.0956352948822} H10 25 1 1 {} {0.0973180845398 0.585439493857 0.286086569245} H11 26 1 1 {} {0.369526847578 0.560517111761 0.258542112469} H12 27 1 1 {} {0.35195420033 0.599351587473 0.409504234635} H13 28 1 1 {} {0.466280961747 0.423589089953 0.401510064297} H14 29 1 1 {} {0.444311286994 0.458377577824 0.251968557064} H15 30 1 1 {} {0.336000968094 0.37417242056 0.43241846258} H16 31 1 1 {} {0.40693953509 0.389053107043 0.511956217349} H17 32 1 1 {} {0.306688263175 0.477583291654 0.547124901671} H18 33 1 1 {} {0.354280995221 0.491574016521 0.602093957746} H19 34 1 1 {} {0.487110040586 0.570450033505 0.30905453866} H20 35 1 1 {} {0.469548913653 0.577895519826 0.414573434604} H21 36 1 6 {} {0.652597008947 0.63768690628 0.498590891723} C4 37 1 14 {} {0.613135868737 0.573869872318 0.450862796215} Si6 38 1 14 {} {0.650181667992 0.724321143365 0.45371992767} Si7 39 1 8 {} {0.610502386175 0.582149698197 0.341223687561} O5 40 1 8 {} {0.632878787889 0.499095383909 0.475016408896} O6 41 1 6 {} {0.556173574059 0.579914445166 0.500416649128} C5 42 1 6 {} {0.602568441566 0.774725604451 0.498459291342} C6 43 1 8 {} {0.646062923101 0.713415419754 0.34322784966} O7 44 1 8 {} {0.697776540676 0.765696635228 0.469443622857} O8 45 1 14 {} {0.643330067602 0.421164675443 0.447115916842} Si8 46 1 7 {} {0.598017630686 0.369036345279 0.465461486451} N4 47 1 14 {} {0.578428519165 0.319680226989 0.376632397779} Si9 48 1 14 {} {0.573175764812 0.365527773248 0.571395834847} Si10 49 1 7 {} {0.608612457057 0.384448707875 0.658618341461} N5 50 1 7 {} {0.613331749303 0.257050465809 0.339250975656} N6 51 1 1 {} {0.648397156525 0.639140345737 0.571656332911} H22 52 1 1 {} {0.686664248721 0.618970610375 0.486125800866} H23 53 1 1 {} {0.622988247118 0.624335768016 0.319198775164} H24 54 1 1 {} {0.556204953751 0.570157002989 0.572569145427} H25 55 1 1 {} {0.534384918829 0.542668383673 0.468556732255} H26 56 1 1 {} {0.541575321698 0.629754372094 0.489136796249} H27 57 1 1 {} {0.601794109827 0.825144169418 0.469064155386} H28 58 1 1 {} {0.604613023653 0.780267604204 0.571400355371} H29 59 1 1 {} {0.570486881625 0.750580202157 0.483321286132} H30 60 1 1 {} {0.653888226879 0.750892384793 0.305239881249} H31 61 1 1 {} {0.698087758843 0.800718099303 0.514063105308} H32 62 1 1 {} {0.654830388469 0.416120633995 0.350450000198} H33 63 1 1 {} {0.682527732367 0.400807468476 0.501989514514} H34 64 1 1 {} {0.536626539368 0.287838149446 0.409618585184} H35 65 1 1 {} {0.570235237474 0.36263070435 0.29720302436} H36 66 1 1 {} {0.536052661051 0.414940100204 0.578143294746} H37 67 1 1 {} {0.556160403855 0.296106020859 0.583510630715} H38 68 1 1 {} {0.615038207262 0.432999079227 0.67357768104} H39 69 1 1 {} {0.635524289067 0.355348210253 0.671845865872} H40 70 1 1 {} {0.6379797625 0.268130934508 0.295021979044} H41 71 1 1 {} {0.622902485939 0.21919613482 0.380457507711} 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