#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 {} {0.210280872505 0.527769990408 0.31822973401} C1 1 1 14 {} {0.264197178139 0.490769927155 0.276453289201} Si1 2 1 14 {} {0.163600655527 0.536251200602 0.237236767498} Si2 3 1 8 {} {0.276774117288 0.523785209862 0.178593935734} O1 4 1 8 {} {0.304188867191 0.511064615801 0.347350495408} O2 5 1 6 {} {0.262248079168 0.397605458574 0.269412824937} C2 6 1 6 {} {0.132049062923 0.456545445491 0.21953298181} C3 7 1 8 {} {0.188095341369 0.562083431334 0.142953005899} O3 8 1 8 {} {0.128256127543 0.597331662288 0.264238264111} O4 9 1 14 {} {0.355662369198 0.540015367486 0.352521872075} Si3 10 1 7 {} {0.390366058536 0.477078184929 0.394177568435} N1 11 1 14 {} {0.444635511363 0.47535175659 0.352987588622} Si4 12 1 14 {} {0.370034676891 0.422862520702 0.476953528696} Si5 13 1 7 {} {0.340901384497 0.460658315934 0.562313498147} N2 14 1 7 {} {0.466305901453 0.5552024386 0.358638330889} N3 15 1 1 {} {0.19867962685 0.499144340862 0.376694807224} H1 16 1 1 {} {0.218140650137 0.578594864708 0.342399260692} H2 17 1 1 {} {0.251280633109 0.54399145683 0.147854398546} H3 18 1 1 {} {0.257091991523 0.374589350846 0.335222825491} H4 19 1 1 {} {0.293961382932 0.378540246973 0.242671262583} H5 20 1 1 {} {0.2354787718 0.380492291725 0.224730802863} H6 21 1 1 {} {0.105537988196 0.46274197106 0.169460876881} H7 22 1 1 {} {0.11650875794 0.438793906356 0.281715367317} H8 23 1 1 {} {0.154450539944 0.416733536932 0.195903591428} H9 24 1 1 {} {0.169589186648 0.585186033405 0.0997731703572} H10 25 1 1 {} {0.0998626537797 0.585003711968 0.290273654392} H11 26 1 1 {} {0.372061873342 0.55995247711 0.262685524291} H12 27 1 1 {} {0.354546995016 0.598812919781 0.413547324536} H13 28 1 1 {} {0.468875836323 0.42322295592 0.405784452627} H14 29 1 1 {} {0.446956258241 0.458070025706 0.256402320213} H15 30 1 1 {} {0.338568803351 0.37371409175 0.436636747779} H16 31 1 1 {} {0.409519186444 0.388604202019 0.516176427153} H17 32 1 1 {} {0.309288671264 0.477149139695 0.551380330515} H18 33 1 1 {} {0.35689468348 0.491059021691 0.606308204803} H19 34 1 1 {} {0.48964209827 0.570081422797 0.313524615891} H20 35 1 1 {} {0.472176839368 0.577407252966 0.41850112035} H21 36 1 6 {} {0.649956930004 0.638086584499 0.494409482381} C4 37 1 14 {} {0.610553349928 0.574277576655 0.446642419186} Si6 38 1 14 {} {0.647561263715 0.724718404047 0.449564405204} Si7 39 1 8 {} {0.608001808787 0.582547971052 0.336916546371} O5 40 1 8 {} {0.630183858355 0.499512007176 0.470831116392} O6 41 1 6 {} {0.55366071855 0.580486158133 0.496237153761} C5 42 1 6 {} {0.599973388125 0.775194233327 0.4942762085} C6 43 1 8 {} {0.643314007171 0.71393565345 0.339088639228} O7 44 1 8 {} {0.695140266887 0.766106215651 0.465225931264} O8 45 1 14 {} {0.640740029642 0.421599269098 0.442953770734} Si8 46 1 7 {} {0.595388800106 0.36945362663 0.461057877586} N4 47 1 14 {} {0.575843577163 0.320198621058 0.372490314067} Si9 48 1 14 {} {0.570711023008 0.366111703692 0.56751457343} Si10 49 1 7 {} {0.605941011719 0.384865165446 0.654502105137} N5 50 1 7 {} {0.610868293053 0.257514199052 0.335184634888} N6 51 1 1 {} {0.645794542476 0.639597367198 0.567483513503} H22 52 1 1 {} {0.68400840181 0.619333821767 0.48197189623} H23 53 1 1 {} {0.620434218451 0.624844834517 0.315045713435} H24 54 1 1 {} {0.553599004657 0.570529197311 0.568279339539} H25 55 1 1 {} {0.531946039987 0.543240872764 0.464365322235} H26 56 1 1 {} {0.539013553084 0.630278051649 0.484888307369} H27 57 1 1 {} {0.599213758956 0.825618728093 0.464875088146} H28 58 1 1 {} {0.602023405325 0.780698468323 0.567230182231} H29 59 1 1 {} {0.567899125853 0.751034254388 0.479101201993} H30 60 1 1 {} {0.651283807334 0.751349346756 0.301115922503} H31 61 1 1 {} {0.695521784729 0.801127875727 0.509858559676} H32 62 1 1 {} {0.652276824108 0.416576724663 0.346180156748} H33 63 1 1 {} {0.679941449524 0.40124110137 0.497741542992} H34 64 1 1 {} {0.534075793332 0.288217896886 0.405338225369} H35 65 1 1 {} {0.567666282283 0.36306322046 0.292901074795} H36 66 1 1 {} {0.533519776247 0.415483780738 0.573773429055} H37 67 1 1 {} {0.553542251446 0.296647007267 0.57920413124} H38 68 1 1 {} {0.612519464578 0.433470998164 0.669384300033} H39 69 1 1 {} {0.632971532579 0.355779712237 0.667600536754} H40 70 1 1 {} {0.635481225341 0.268579633922 0.290917344321} H41 71 1 1 {} {0.620397645943 0.219721909412 0.37641638923} 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