#MD System 2.0 @Title neb0_image01 @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 {} {0.35808445589 0.546667348511 0.414053906263} C1 1 1 14 {} {0.334880444454 0.520097195539 0.524869308785} Si1 2 1 14 {} {0.419681061797 0.557557652997 0.409687666071} Si2 3 1 8 {} {0.34796932115 0.576784372021 0.600668398498} O1 4 1 8 {} {0.279726888176 0.518283894945 0.517787457304} O2 5 1 6 {} {0.353728591953 0.434884362334 0.559403789788} C2 6 1 6 {} {0.450998933616 0.477338548525 0.394989778754} C3 7 1 8 {} {0.432748549979 0.592405645027 0.50848011815} O3 8 1 8 {} {0.43286934212 0.608853295947 0.326591988424} O4 9 1 14 {} {0.22945718742 0.522823780236 0.558938506215} Si3 10 1 7 {} {0.209714258787 0.444678925988 0.593196551697} N1 11 1 14 {} {0.187288270536 0.436391587201 0.700659214571} Si4 12 1 14 {} {0.210311097005 0.376983989499 0.518138082544} Si5 13 1 7 {} {0.204215174696 0.39833942609 0.407758630149} N2 14 1 7 {} {0.136837858061 0.475477620242 0.720718554894} N3 15 1 1 {} {0.348102495556 0.510952361336 0.361746905192} H1 16 1 1 {} {0.342502025108 0.595003179191 0.397045850619} H2 17 1 1 {} {0.377797373723 0.595195826082 0.591158650793} H3 18 1 1 {} {0.34503793679 0.396243917377 0.5101308563} H4 19 1 1 {} {0.338038500646 0.421019466263 0.623126913007} H5 20 1 1 {} {0.390073641962 0.433603895513 0.569415722693} H6 21 1 1 {} {0.487109716639 0.486854501911 0.391862358067} H7 22 1 1 {} {0.441419152423 0.453006777092 0.332002661362} H8 23 1 1 {} {0.444874265972 0.4417274083 0.449494585598} H9 24 1 1 {} {0.463434395138 0.607147357391 0.514794726935} H10 25 1 1 {} {0.464811165434 0.611835197557 0.315192226221} H11 26 1 1 {} {0.227700396658 0.566999831469 0.63926538339} H12 27 1 1 {} {0.200552258135 0.550934269961 0.487367179427} H13 28 1 1 {} {0.180570805885 0.363335225517 0.714898702897} H14 29 1 1 {} {0.218816126575 0.465602919704 0.766646324345} H15 30 1 1 {} {0.253580358452 0.34049401655 0.523940957818} H16 31 1 1 {} {0.172710730297 0.332338843672 0.544707874608} H17 32 1 1 {} {0.231228716912 0.412858217263 0.371603617002} H18 33 1 1 {} {0.176198139986 0.421597405309 0.385484246387} H19 34 1 1 {} {0.136071509919 0.525087947785 0.735811335321} H20 35 1 1 {} {0.108798868794 0.461694224051 0.687225420799} H21 36 1 6 {} {0.63273068977 0.645986133964 0.348935368637} C4 37 1 14 {} {0.58957277138 0.583507398009 0.386382968305} Si6 38 1 14 {} {0.627053187115 0.734463285122 0.385493322278} Si7 39 1 8 {} {0.539343180645 0.619042661916 0.380850338654} O5 40 1 8 {} {0.590391929306 0.518970601941 0.319279313061} O6 41 1 6 {} {0.600677123554 0.551516490211 0.501242485209} C5 42 1 6 {} {0.645220586961 0.751509109882 0.502630936576} C6 43 1 8 {} {0.572246837249 0.749316949083 0.373889911627} O7 44 1 8 {} {0.654896838802 0.78377340687 0.315605827755} O8 45 1 14 {} {0.584016872458 0.458656982412 0.246284195862} Si8 46 1 7 {} {0.596412408249 0.380464218204 0.289232890697} N4 47 1 14 {} {0.552960090466 0.324350772553 0.313011196682} Si9 48 1 14 {} {0.651135404071 0.355160634477 0.314519866232} Si10 49 1 7 {} {0.692127369513 0.401296744527 0.263497262916} N5 50 1 7 {} {0.528880693877 0.281010204663 0.225846165127} N6 51 1 1 {} {0.666113769558 0.627635741979 0.36770498289} H22 52 1 1 {} {0.631966831795 0.64676679658 0.275297372841} H23 53 1 1 {} {0.541526365618 0.668068132591 0.375970091874} H24 54 1 1 {} {0.632784885579 0.52494147485 0.503956787574} H25 55 1 1 {} {0.574566156459 0.515975895232 0.521572304681} H26 56 1 1 {} {0.601575507777 0.592046079922 0.55083116755} H27 57 1 1 {} {0.639962235621 0.804289843239 0.520817023433} H28 58 1 1 {} {0.680815317379 0.740115743744 0.512013054314} H29 59 1 1 {} {0.626237786369 0.720958158853 0.550391127207} H30 60 1 1 {} {0.561794436552 0.795142415269 0.371036066774} H31 61 1 1 {} {0.67274947721 0.819518951189 0.340696588785} H32 62 1 1 {} {0.536328151901 0.456661273855 0.217587464559} H33 63 1 1 {} {0.613198026544 0.474652632337 0.168785628344} H34 64 1 1 {} {0.572828016475 0.273459234094 0.373993027511} H35 65 1 1 {} {0.516119653899 0.362116820778 0.356054877587} H36 66 1 1 {} {0.660332674453 0.361241359027 0.412106814454} H37 67 1 1 {} {0.654830796 0.283723706908 0.286481898349} H38 68 1 1 {} {0.705332627626 0.442168264581 0.293759170724} H39 69 1 1 {} {0.695082157366 0.404317003364 0.196066378536} H40 70 1 1 {} {0.506782175134 0.304385472284 0.184903437394} H41 71 1 1 {} {0.546389268854 0.245625228936 0.191959876968} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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