#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 {} {0.215848790631 0.526735026744 0.327103130199} C1 1 1 14 {} {0.269685347123 0.489665299408 0.285255322271} Si1 2 1 14 {} {0.169155703074 0.535184189018 0.246215638344} Si2 3 1 8 {} {0.282283776484 0.522373483638 0.187203106091} O1 4 1 8 {} {0.309529125138 0.510454057388 0.356345079861} O2 5 1 6 {} {0.267842086392 0.39649179749 0.278581605084} C2 6 1 6 {} {0.137600916023 0.455492978185 0.228402944705} C3 7 1 8 {} {0.193648400418 0.561365701166 0.152086902338} O3 8 1 8 {} {0.1337216945 0.596091611837 0.273477195307} O4 9 1 14 {} {0.361025712328 0.539126450014 0.361343364924} Si3 10 1 7 {} {0.39531290993 0.475530075294 0.402747952968} N1 11 1 14 {} {0.44881171063 0.473816398159 0.358403260968} Si4 12 1 14 {} {0.375359598977 0.421607137592 0.486416572954} Si5 13 1 7 {} {0.346327401614 0.459563430379 0.571759084171} N2 14 1 7 {} {0.466719694604 0.5560852563 0.359253504102} N3 15 1 1 {} {0.204240363813 0.498165607768 0.385613777308} H1 16 1 1 {} {0.223730864835 0.577580895022 0.351182418468} H2 17 1 1 {} {0.256863032478 0.542955285417 0.156726203634} H3 18 1 1 {} {0.262642212236 0.373444617819 0.344360573271} H4 19 1 1 {} {0.299539261873 0.377433022896 0.251784978681} H5 20 1 1 {} {0.241046955988 0.379536648382 0.233827612747} H6 21 1 1 {} {0.111059125379 0.461765330379 0.178401238517} H7 22 1 1 {} {0.122039707773 0.437864246893 0.29064249185} H8 23 1 1 {} {0.159931155969 0.415571138065 0.204848627655} H9 24 1 1 {} {0.17509000327 0.584213258482 0.108831377921} H10 25 1 1 {} {0.105380612829 0.583698790817 0.299457674042} H11 26 1 1 {} {0.377481158739 0.558960840641 0.271529000327} H12 27 1 1 {} {0.360164968576 0.597884282385 0.422757862672} H13 28 1 1 {} {0.474424526792 0.423860842898 0.413489506889} H14 29 1 1 {} {0.451858809878 0.454129319584 0.262759003343} H15 30 1 1 {} {0.343964802219 0.372333566025 0.445887659354} H16 31 1 1 {} {0.4151137792 0.387593421855 0.525157434855} H17 32 1 1 {} {0.314745823596 0.476186499228 0.560387741138} H18 33 1 1 {} {0.362330798346 0.490194594899 0.61543441652} H19 34 1 1 {} {0.493758032451 0.56757933145 0.319947976299} H20 35 1 1 {} {0.470515983097 0.577617203679 0.42028365352} H21 36 1 6 {} {0.645881165299 0.639747220385 0.485448989396} C4 37 1 14 {} {0.606588678055 0.575917379171 0.43959596792} Si6 38 1 14 {} {0.64224000578 0.72605814129 0.440311053336} Si7 39 1 8 {} {0.601678127912 0.583987611305 0.329910836196} O5 40 1 8 {} {0.625364989318 0.500447938428 0.4616533552} O6 41 1 6 {} {0.551009864862 0.582276036176 0.49311089389} C5 42 1 6 {} {0.594412773291 0.776149826566 0.485171724218} C6 43 1 8 {} {0.638054867548 0.714796081086 0.329931448975} O7 44 1 8 {} {0.68965422601 0.767598375116 0.456062340364} O8 45 1 14 {} {0.63531080334 0.422409916943 0.434115120283} Si8 46 1 7 {} {0.589822048268 0.370384853768 0.45196793767} N4 47 1 14 {} {0.570366267887 0.32117551286 0.363733130182} Si9 48 1 14 {} {0.56509683687 0.367158958947 0.558734341993} Si10 49 1 7 {} {0.600528387745 0.385873545215 0.645150755848} N5 50 1 7 {} {0.605221984767 0.258376705076 0.325926403569} N6 51 1 1 {} {0.640557267802 0.640637414141 0.558202396402} H22 52 1 1 {} {0.67999882438 0.621299667585 0.473301079936} H23 53 1 1 {} {0.614512017614 0.625519947405 0.306310145801} H24 54 1 1 {} {0.550808632723 0.573821679772 0.565627306726} H25 55 1 1 {} {0.532067178944 0.541512884222 0.461805694385} H26 56 1 1 {} {0.534771578088 0.630119514977 0.478290829424} H27 57 1 1 {} {0.593660566214 0.82660947681 0.455807597446} H28 58 1 1 {} {0.596507323669 0.781740023281 0.558108737866} H29 59 1 1 {} {0.562278477323 0.75213314886 0.470127383182} H30 60 1 1 {} {0.645748237046 0.752330065273 0.291910917569} H31 61 1 1 {} {0.689938630214 0.802434975043 0.501022841406} H32 62 1 1 {} {0.646699292099 0.417582633172 0.337057695635} H33 63 1 1 {} {0.674513404833 0.402241293946 0.488827775124} H34 64 1 1 {} {0.528543129399 0.28925749093 0.396517035179} H35 65 1 1 {} {0.562141575672 0.364187297557 0.284007985136} H36 66 1 1 {} {0.528008239738 0.416427243725 0.565610964521} H37 67 1 1 {} {0.547966736736 0.297577665857 0.570363975699} H38 68 1 1 {} {0.606835387786 0.434509971275 0.66059231352} H39 69 1 1 {} {0.627478875932 0.356705069695 0.658771665032} H40 70 1 1 {} {0.629853398994 0.269546979273 0.281802123424} H41 71 1 1 {} {0.614763225039 0.220598791456 0.367011402237} 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