#MD System 2.0 @Title neb0_image06 @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 {} {0.215533310908 0.526807084664 0.326738106563} C1 1 1 14 {} {0.269472754676 0.489821848128 0.284993816895} Si1 2 1 14 {} {0.168843472127 0.535238669668 0.245718992268} Si2 3 1 8 {} {0.282054851387 0.522845169942 0.187148103124} O1 4 1 8 {} {0.309508629098 0.510179895469 0.35585826559} O2 5 1 6 {} {0.267526087965 0.39664988206 0.27794347135} C2 6 1 6 {} {0.137292480784 0.455550643236 0.228016150336} C3 7 1 8 {} {0.193371141001 0.561189325643 0.151556784126} O3 8 1 8 {} {0.133515275506 0.596295232951 0.272734833384} O4 9 1 14 {} {0.360983197844 0.539013928502 0.361046781501} Si3 10 1 7 {} {0.395582429626 0.476066712258 0.402767585291} N1 11 1 14 {} {0.449279793785 0.473912269113 0.36066845148} Si4 12 1 14 {} {0.37524025631 0.421997059689 0.485711249314} Si5 13 1 7 {} {0.346139312787 0.459691784045 0.570893255786} N2 14 1 7 {} {0.469899113882 0.554546114946 0.364662952355} N3 15 1 1 {} {0.203941645619 0.49818418076 0.3852078785} H1 16 1 1 {} {0.223400744045 0.577622273343 0.350917867482} H2 17 1 1 {} {0.256546966039 0.543024971454 0.156376753994} H3 18 1 1 {} {0.262363232596 0.373633585612 0.343750311462} H4 19 1 1 {} {0.2992343638 0.377574406603 0.251200059812} H5 20 1 1 {} {0.240744159718 0.379529921954 0.233274779584} H6 21 1 1 {} {0.110781172 0.46177584163 0.177960489448} H7 22 1 1 {} {0.121768003683 0.437826980762 0.290230332888} H8 23 1 1 {} {0.159715668862 0.415764004029 0.204414809634} H9 24 1 1 {} {0.174848189655 0.584212899979 0.10830456947} H10 25 1 1 {} {0.105107068691 0.584036028331 0.298808909705} H11 26 1 1 {} {0.377304194203 0.558993315002 0.271233436924} H12 27 1 1 {} {0.359814396453 0.597811873143 0.422032883918} H13 28 1 1 {} {0.474146497653 0.422537264502 0.41418822052} H14 29 1 1 {} {0.452268818974 0.456977693712 0.264787241423} H15 30 1 1 {} {0.343845382611 0.372768552119 0.4451720276} H16 31 1 1 {} {0.414772959658 0.38765649386 0.524653304865} H17 32 1 1 {} {0.314581193227 0.476180965393 0.559894195248} H18 33 1 1 {} {0.362145461833 0.490076121943 0.614780596153} H19 34 1 1 {} {0.494573383381 0.569018064671 0.322311993274} H20 35 1 1 {} {0.475773669072 0.576573529539 0.424488144898} H21 36 1 6 {} {0.64475865115 0.639062672867 0.485830550444} C4 37 1 14 {} {0.605621395834 0.575339852464 0.438510767774} Si6 38 1 14 {} {0.642320121108 0.725644400105 0.441039479605} Si7 39 1 8 {} {0.602626327022 0.583513351628 0.328479305805} O5 40 1 8 {} {0.6249155247 0.500469460838 0.462249524261} O6 41 1 6 {} {0.549573188486 0.581981212523 0.489380361539} C5 42 1 6 {} {0.594717306015 0.776148873191 0.485762799143} C6 43 1 8 {} {0.638068083622 0.714851172405 0.330501887403} O7 44 1 8 {} {0.68983649641 0.767058062214 0.456761703316} O8 45 1 14 {} {0.635431621196 0.422525762409 0.434402794972} Si8 46 1 7 {} {0.590189910829 0.370409223136 0.452659658107} N4 47 1 14 {} {0.570712214618 0.320944529423 0.364032973555} Si9 48 1 14 {} {0.565269910916 0.367116725447 0.55857469963} Si10 49 1 7 {} {0.600631902887 0.385781528733 0.645574859979} N5 50 1 7 {} {0.605613941844 0.258390044284 0.326573007447} N6 51 1 1 {} {0.640513996261 0.640552610791 0.558893937546} H22 52 1 1 {} {0.6787779159 0.620328158063 0.473452185657} H23 53 1 1 {} {0.615173286585 0.625810278196 0.306555369519} H24 54 1 1 {} {0.548652016983 0.571639868909 0.560923115534} H25 55 1 1 {} {0.52886991744 0.543840905543 0.457783753659} H26 56 1 1 {} {0.534047108449 0.630973519452 0.476653416017} H27 57 1 1 {} {0.59394018736 0.826575207617 0.456360741735} H28 58 1 1 {} {0.596759435958 0.781657597926 0.558725612818} H29 59 1 1 {} {0.562633092688 0.752005773491 0.470593675133} H30 60 1 1 {} {0.646022223998 0.752313779956 0.292597036517} H31 61 1 1 {} {0.690253688486 0.802083192317 0.501323317905} H32 62 1 1 {} {0.647009746861 0.417552308753 0.337594439205} H33 63 1 1 {} {0.674661015911 0.402273330598 0.489206754831} H34 64 1 1 {} {0.528847607961 0.289240975603 0.396889020474} H35 65 1 1 {} {0.562418071113 0.364056729987 0.284503810791} H36 66 1 1 {} {0.528269565515 0.416511494768 0.565562633028} H37 67 1 1 {} {0.548266728644 0.297574245158 0.570858568028} H38 68 1 1 {} {0.607260634263 0.434527127508 0.66103635401} H39 69 1 1 {} {0.627816156523 0.356647513993 0.659220379634} H40 70 1 1 {} {0.630175912759 0.269561703168 0.282471232884} H41 71 1 1 {} {0.615103682627 0.22075517983 0.367820774404} 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