#MD System 2.0 @Title neb0_image04 @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 {} {0.210908287726 0.527730503143 0.318515686659} C1 1 1 14 {} {0.264569074136 0.490160685529 0.276792346693} Si1 2 1 14 {} {0.164211571345 0.536146681595 0.237911157875} Si2 3 1 8 {} {0.276820143271 0.521389323747 0.177703459832} O1 4 1 8 {} {0.304322874563 0.51164089059 0.347693558476} O2 5 1 6 {} {0.262619608216 0.396971430617 0.270760964899} C2 6 1 6 {} {0.132565449607 0.456467816327 0.220413759793} C3 7 1 8 {} {0.188431732737 0.562213986043 0.143761794902} O3 8 1 8 {} {0.128935743477 0.596671022512 0.266250474182} O4 9 1 14 {} {0.355856402508 0.540371881324 0.353526387001} Si3 10 1 7 {} {0.390172377103 0.476702838319 0.394566254718} N1 11 1 14 {} {0.443560885312 0.474509205638 0.349487242689} Si4 12 1 14 {} {0.370345977909 0.422486409085 0.478043737926} Si5 13 1 7 {} {0.340963632306 0.460209450175 0.563483786978} N2 14 1 7 {} {0.461787612511 0.557066514489 0.349759294557} N3 15 1 1 {} {0.199233805633 0.499301063738 0.377064878899} H1 16 1 1 {} {0.218958197283 0.578555350595 0.342403289383} H2 17 1 1 {} {0.251698858203 0.543762732542 0.147950841355} H3 18 1 1 {} {0.257290309429 0.373694234321 0.336343849076} H4 19 1 1 {} {0.294302831312 0.377863692997 0.243950137255} H5 20 1 1 {} {0.235858301075 0.380445529737 0.225680183058} H6 21 1 1 {} {0.106071878344 0.463065471077 0.170349538986} H7 22 1 1 {} {0.116869711229 0.439144016435 0.282699471772} H8 23 1 1 {} {0.154687070758 0.416246564374 0.196903598834} H9 24 1 1 {} {0.169702406882 0.585532209695 0.100550677388} H10 25 1 1 {} {0.100308970007 0.583785855834 0.291779845116} H11 26 1 1 {} {0.372444327351 0.560265418828 0.264037439519} H12 27 1 1 {} {0.354914843608 0.598901228954 0.414949018707} H13 28 1 1 {} {0.469240489952 0.42490426422 0.404577867615} H14 29 1 1 {} {0.446177674232 0.453874584525 0.254195891767} H15 30 1 1 {} {0.338988574829 0.373160821472 0.437455379253} H16 31 1 1 {} {0.410117261829 0.388418647922 0.51655549686} H17 32 1 1 {} {0.309547770967 0.476712996589 0.551881012615} H18 33 1 1 {} {0.35693454248 0.4912247454 0.607148591492} H19 34 1 1 {} {0.489050116513 0.567276941161 0.311582661625} H20 35 1 1 {} {0.465080628407 0.578643730405 0.410928416114} H21 36 1 6 {} {0.651308543984 0.639187977723 0.493514252018} C4 37 1 14 {} {0.611849918574 0.575253705493 0.448683284344} Si6 38 1 14 {} {0.64746404701 0.725388121385 0.448194839296} Si7 39 1 8 {} {0.605620026887 0.583638507413 0.339167556705} O5 40 1 8 {} {0.631311243057 0.500049939066 0.470485094638} O6 41 1 6 {} {0.556415500694 0.580904508022 0.502909845561} C5 42 1 6 {} {0.599506243337 0.775527682348 0.4929210341} C6 43 1 8 {} {0.643878451109 0.713745918929 0.337662033953} O7 44 1 8 {} {0.69470227883 0.767771674761 0.464063569454} O8 45 1 14 {} {0.640609782986 0.421722632846 0.442819427812} Si8 46 1 7 {} {0.594891085456 0.370009030712 0.460409860268} N4 47 1 14 {} {0.575320693732 0.32073828482 0.371651723186} Si9 48 1 14 {} {0.57033127324 0.365991709867 0.567042114208} Si10 49 1 7 {} {0.605393929833 0.384794945231 0.653677232273} N5 50 1 7 {} {0.61016713334 0.257915588072 0.33365244415} N6 51 1 1 {} {0.646113966578 0.639967460056 0.56633572504} H22 52 1 1 {} {0.685554944672 0.621349194034 0.481319934891} H23 53 1 1 {} {0.619213844446 0.624067943914 0.314689424903} H24 54 1 1 {} {0.556168797386 0.573630561521 0.575530481761} H25 55 1 1 {} {0.537525006657 0.539956129895 0.471820789534} H26 56 1 1 {} {0.54000807236 0.628797568686 0.487329863951} H27 57 1 1 {} {0.598731907961 0.82605794493 0.463706440249} H28 58 1 1 {} {0.601655345885 0.781178868248 0.565941643769} H29 59 1 1 {} {0.567241002419 0.751664327045 0.478252874541} H30 60 1 1 {} {0.650954398619 0.751404641296 0.299656227035} H31 61 1 1 {} {0.695025535843 0.801754658922 0.509216634329} H32 62 1 1 {} {0.651890026951 0.416914122798 0.345871857484} H33 63 1 1 {} {0.67976269757 0.401215724141 0.497693444915} H34 64 1 1 {} {0.533611481378 0.288799292748 0.404312670222} H35 65 1 1 {} {0.567105148925 0.363474559588 0.291860692348} H36 66 1 1 {} {0.532792778083 0.414763023654 0.574119112383} H37 67 1 1 {} {0.553463245892 0.29617867736 0.578340398682} H38 68 1 1 {} {0.611956556272 0.43389232115 0.668253004247} H39 69 1 1 {} {0.632634721477 0.356101423781 0.667235285063} H40 70 1 1 {} {0.634578347889 0.268580453661 0.289389484738} H41 71 1 1 {} {0.619369844444 0.219395007016 0.374419871702} 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