#MD System 2.0 @Title neb0_image03 @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 {} {0.207976971312 0.528189667736 0.313917995753} C1 1 1 14 {} {0.261865497695 0.490844604281 0.272361550083} Si1 2 1 14 {} {0.16132750636 0.536586132889 0.233094540984} Si2 3 1 8 {} {0.273957321145 0.522332893861 0.173353279732} O1 4 1 8 {} {0.30175959721 0.511550666739 0.342427454199} O2 5 1 6 {} {0.25955487594 0.397657916515 0.26592838559} C2 6 1 6 {} {0.129507125995 0.457119235584 0.215305331199} C3 7 1 8 {} {0.185688148104 0.562679546489 0.138830890395} O3 8 1 8 {} {0.126127436003 0.597625558901 0.26120296938} O4 9 1 14 {} {0.353357164478 0.540620403465 0.348813680803} Si3 10 1 7 {} {0.38785207126 0.477570398578 0.390354123313} N1 11 1 14 {} {0.441758504993 0.475366551109 0.347541094421} Si4 12 1 14 {} {0.367568655633 0.423365102289 0.47290258142} Si5 13 1 7 {} {0.33823873666 0.460656133456 0.558404601993} N2 14 1 7 {} {0.462547296993 0.555799850457 0.351532948667} N3 15 1 1 {} {0.196331283667 0.499821493402 0.372486018412} H1 16 1 1 {} {0.215930976224 0.579103767991 0.337695237031} H2 17 1 1 {} {0.248869824704 0.54427194832 0.143374659947} H3 18 1 1 {} {0.254294242581 0.374383030079 0.33155127429} H4 19 1 1 {} {0.291253986235 0.37847056535 0.239147321317} H5 20 1 1 {} {0.23280818792 0.380991148062 0.220990465927} H6 21 1 1 {} {0.103085952979 0.463652752216 0.165216456819} H7 22 1 1 {} {0.113824844384 0.439688665858 0.277506827069} H8 23 1 1 {} {0.151695047331 0.416969008056 0.191847124124} H9 24 1 1 {} {0.166989500691 0.585826604382 0.0960207197036} H10 25 1 1 {} {0.0975954714256 0.58496566845 0.286457297243} H11 26 1 1 {} {0.369801871145 0.560983541284 0.259493808129} H12 27 1 1 {} {0.351970850291 0.599297781993 0.410218672096} H13 28 1 1 {} {0.466331688031 0.423847021732 0.40045015167} H14 29 1 1 {} {0.443905582824 0.456907622874 0.251142191811} H15 30 1 1 {} {0.336176034225 0.374017796284 0.432437382394} H16 31 1 1 {} {0.407128458005 0.388831781499 0.511943092779} H17 32 1 1 {} {0.306659519814 0.477281290354 0.546906818712} H18 33 1 1 {} {0.354055716757 0.491752252676 0.60200895619} H19 34 1 1 {} {0.487157723357 0.569558702605 0.308520131871} H20 35 1 1 {} {0.467348187653 0.578258047732 0.411526726642} H21 36 1 6 {} {0.653113579194 0.638116763776 0.498354045195} C4 37 1 14 {} {0.613542871257 0.574456376023 0.451495409413} Si6 38 1 14 {} {0.650360427619 0.72472425687 0.453333122122} Si7 39 1 8 {} {0.609452321884 0.582725353147 0.34214328573} O5 40 1 8 {} {0.633605289655 0.499527268121 0.475159245943} O6 41 1 6 {} {0.557143422981 0.579855938526 0.502985687425} C5 42 1 6 {} {0.602560327496 0.774942286182 0.49799784442} C6 43 1 8 {} {0.646872150818 0.713270535073 0.342847750875} O7 44 1 8 {} {0.697781392503 0.766462523457 0.469349654283} O8 45 1 14 {} {0.643312734948 0.42129116194 0.447121373529} Si8 46 1 7 {} {0.598024074104 0.369480532701 0.466093067092} N4 47 1 14 {} {0.57832121742 0.319673313831 0.376153716089} Si9 48 1 14 {} {0.57251800525 0.365014191616 0.569948577559} Si10 49 1 7 {} {0.609146350844 0.384925035847 0.65879798458} N5 50 1 7 {} {0.61253137238 0.257250548178 0.338443556584} N6 51 1 1 {} {0.64869601869 0.639425175507 0.571376747502} H22 52 1 1 {} {0.687254350726 0.619949926765 0.485888098649} H23 53 1 1 {} {0.622593495432 0.624049298569 0.319082969398} H24 54 1 1 {} {0.556982335727 0.571254311424 0.575252292517} H25 55 1 1 {} {0.536171439196 0.541438518553 0.471532591286} H26 56 1 1 {} {0.541790146851 0.629133983371 0.489980743899} H27 57 1 1 {} {0.601646343191 0.825384383867 0.468685059058} H28 58 1 1 {} {0.604627897387 0.78055066486 0.570968526385} H29 59 1 1 {} {0.570404265465 0.750822859047 0.483201921815} H30 60 1 1 {} {0.653949192268 0.750962040415 0.304645585909} H31 61 1 1 {} {0.697956375793 0.801327914085 0.514157210976} H32 62 1 1 {} {0.654653651411 0.41628406839 0.350710712202} H33 63 1 1 {} {0.682583805447 0.400976499939 0.502366119666} H34 64 1 1 {} {0.536411853596 0.288470202092 0.409913218882} H35 65 1 1 {} {0.570023882843 0.363011773907 0.297476021184} H36 66 1 1 {} {0.53556944599 0.414340151073 0.57900897255} H37 67 1 1 {} {0.556307709007 0.295687658299 0.583752584186} H38 68 1 1 {} {0.614507256769 0.433126007499 0.673392414706} H39 69 1 1 {} {0.635296875486 0.355529208148 0.671964966232} H40 70 1 1 {} {0.637411592808 0.268266471984 0.294083212575} H41 71 1 1 {} {0.62225261055 0.218750401288 0.379231015564} 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