#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 {} {0.21542946609 0.526805044189 0.326598565371} C1 1 1 14 {} {0.269377771668 0.489830207336 0.284773118695} Si1 2 1 14 {} {0.168732208552 0.535304918091 0.245609062935} Si2 3 1 8 {} {0.281984967519 0.52301241952 0.186995121206} O1 4 1 8 {} {0.309333815426 0.510118365978 0.355745300739} O2 5 1 6 {} {0.26740142259 0.396642852374 0.27774290259} C2 6 1 6 {} {0.137195690318 0.455591453675 0.227847496087} C3 7 1 8 {} {0.193236548876 0.561136414038 0.151330439283} O3 8 1 8 {} {0.133382481647 0.596448083647 0.272486256055} O4 9 1 14 {} {0.360846190113 0.539002584934 0.360845639001} Si3 10 1 7 {} {0.39561408735 0.476107503662 0.402436741436} N1 11 1 14 {} {0.449791166855 0.474568289383 0.361345461464} Si4 12 1 14 {} {0.3751463344 0.421977198519 0.485348512275} Si5 13 1 7 {} {0.346076259184 0.459719481346 0.570647888009} N2 14 1 7 {} {0.47139948949 0.554118379055 0.367121994042} N3 15 1 1 {} {0.203822543959 0.498203294035 0.38508843384} H1 16 1 1 {} {0.223259380503 0.577631767697 0.350790258727} H2 17 1 1 {} {0.256427386042 0.543029355241 0.156260404795} H3 18 1 1 {} {0.26224874305 0.373689291253 0.343614669334} H4 19 1 1 {} {0.299128945688 0.377644507973 0.250959152472} H5 20 1 1 {} {0.240629322733 0.379537491516 0.233044731229} H6 21 1 1 {} {0.11068112979 0.461761728093 0.177800333815} H7 22 1 1 {} {0.121668646668 0.437829815587 0.290029361487} H8 23 1 1 {} {0.159612828287 0.415790208096 0.204226213896} H9 24 1 1 {} {0.174756684425 0.584221101306 0.108103793445} H10 25 1 1 {} {0.105013640482 0.58410371425 0.298574232589} H11 26 1 1 {} {0.377213292004 0.558999434306 0.270922301988} H12 27 1 1 {} {0.359691296194 0.597877408326 0.42188897036} H13 28 1 1 {} {0.474042467818 0.422197644935 0.41422737677} H14 29 1 1 {} {0.452134387902 0.457227067701 0.264834165573} H15 30 1 1 {} {0.343702136781 0.372743937701 0.444990551441} H16 31 1 1 {} {0.414658379623 0.38767022376 0.524553313924} H17 32 1 1 {} {0.314452652789 0.476207046968 0.559723680815} H18 33 1 1 {} {0.362076471983 0.490102579307 0.614659927886} H19 34 1 1 {} {0.49484396376 0.569258725561 0.321762651359} H20 35 1 1 {} {0.477406328238 0.576516110623 0.427125905247} H21 36 1 6 {} {0.644770671695 0.638984747259 0.486059700948} C4 37 1 14 {} {0.605317871145 0.575192640537 0.438380408888} Si6 38 1 14 {} {0.642417781119 0.725658634433 0.441249696299} Si7 39 1 8 {} {0.602946820587 0.583425608991 0.328478149738} O5 40 1 8 {} {0.624954551322 0.50048277417 0.462460340711} O6 41 1 6 {} {0.54855306984 0.581250236598 0.487902108031} C5 42 1 6 {} {0.59482185881 0.776115974055 0.485943112687} C6 43 1 8 {} {0.638090238971 0.714887811318 0.330757850036} O7 44 1 8 {} {0.690005454277 0.766997434922 0.456914781549} O8 45 1 14 {} {0.635542323177 0.422477116788 0.434468146963} Si8 46 1 7 {} {0.590282577072 0.370446819291 0.45294839381} N4 47 1 14 {} {0.570750637336 0.320983119182 0.364091897854} Si9 48 1 14 {} {0.565424233743 0.367030068177 0.558704697772} Si10 49 1 7 {} {0.600877586362 0.385846657674 0.646208639966} N5 50 1 7 {} {0.60569655614 0.258497044802 0.326893052729} N6 51 1 1 {} {0.640619535157 0.640547648526 0.559172126608} H22 52 1 1 {} {0.678823319263 0.620211116333 0.473643577368} H23 53 1 1 {} {0.61531003773 0.62584091675 0.30670028926} H24 54 1 1 {} {0.548416165696 0.571415371028 0.559461494448} H25 55 1 1 {} {0.526712868092 0.54431705135 0.455975889918} H26 56 1 1 {} {0.533787337304 0.631331501506 0.476427513752} H27 57 1 1 {} {0.594066863604 0.826532571443 0.456574881658} H28 58 1 1 {} {0.596879356669 0.78162402542 0.558892606942} H29 59 1 1 {} {0.56274908858 0.751938253153 0.47075428715} H30 60 1 1 {} {0.646126499768 0.752296160153 0.292815854954} H31 61 1 1 {} {0.690366880959 0.802054033612 0.50152273016} H32 62 1 1 {} {0.647128403751 0.417499058613 0.337823794242} H33 63 1 1 {} {0.67476662875 0.402180971455 0.48936578703} H34 64 1 1 {} {0.528921514393 0.289148957361 0.39705477294} H35 65 1 1 {} {0.562526075183 0.364030402588 0.284580721976} H36 66 1 1 {} {0.528420082462 0.416443813509 0.565448045171} H37 67 1 1 {} {0.548379074501 0.297651290673 0.57093416634} H38 68 1 1 {} {0.607364091877 0.434429527948 0.66111998517} H39 69 1 1 {} {0.627820117153 0.35668486094 0.659259060696} H40 70 1 1 {} {0.630345528451 0.26951914292 0.282652122486} H41 71 1 1 {} {0.615277632967 0.220703943769 0.368112503316} 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