#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 {} {0.361894217112 0.556205461781 0.413206907613} C1 1 1 14 {} {0.338659014886 0.52980874803 0.52391154456} Si1 2 1 14 {} {0.423480827598 0.566760504613 0.409045691298} Si2 3 1 8 {} {0.3518093006 0.586455308289 0.599862829872} O1 4 1 8 {} {0.283476265808 0.528460610808 0.516727712979} O2 5 1 6 {} {0.357395818507 0.444496498615 0.558594182042} C2 6 1 6 {} {0.454481244268 0.486276989767 0.394372767425} C3 7 1 8 {} {0.436526784758 0.60160559499 0.508025360004} O3 8 1 8 {} {0.436561169496 0.61822933675 0.326031604314} O4 9 1 14 {} {0.233309977121 0.532698213997 0.55809021993} Si3 10 1 7 {} {0.213710803773 0.4545548736 0.592259283824} N1 11 1 14 {} {0.191240655629 0.446222976907 0.699752315313} Si4 12 1 14 {} {0.214148248137 0.386819351068 0.517151209632} Si5 13 1 7 {} {0.208045842871 0.407895669636 0.406670502579} N2 14 1 7 {} {0.140788705494 0.485230164585 0.720001632853} N3 15 1 1 {} {0.35194767801 0.520445912154 0.360883962706} H1 16 1 1 {} {0.346397912604 0.604592452169 0.396092359004} H2 17 1 1 {} {0.381741627949 0.60473064832 0.590388018305} H3 18 1 1 {} {0.348780046213 0.405886370494 0.509259944279} H4 19 1 1 {} {0.341696153653 0.430607513032 0.622275889911} H5 20 1 1 {} {0.393745006292 0.443262096919 0.568674561551} H6 21 1 1 {} {0.490560912939 0.495802362547 0.391479506751} H7 22 1 1 {} {0.444934149538 0.461919185282 0.331380639135} H8 23 1 1 {} {0.448140253154 0.450906982437 0.449021636765} H9 24 1 1 {} {0.46742947132 0.615563169799 0.513902870145} H10 25 1 1 {} {0.468537937198 0.618969612672 0.314072500065} H11 26 1 1 {} {0.231554652698 0.576908908897 0.638486410386} H12 27 1 1 {} {0.204261068807 0.560765703613 0.48652794096} H13 28 1 1 {} {0.184528906518 0.373127431808 0.714038622617} H14 29 1 1 {} {0.22279765219 0.475373304134 0.765813865143} H15 30 1 1 {} {0.257393552634 0.350132809291 0.52302394304} H16 31 1 1 {} {0.176492107628 0.342329963664 0.543883197659} H17 32 1 1 {} {0.235095235054 0.422675868363 0.370774301992} H18 33 1 1 {} {0.180111069615 0.431447863612 0.384677840842} H19 34 1 1 {} {0.140004167739 0.534866019616 0.734905724722} H20 35 1 1 {} {0.112760264538 0.471390655561 0.686609406922} H21 36 1 6 {} {0.629087558276 0.636361342405 0.349693110367} C4 37 1 14 {} {0.585943314927 0.574013090287 0.387115354177} Si6 38 1 14 {} {0.623342468191 0.724860562971 0.38622811668} Si7 39 1 8 {} {0.536105775176 0.611110508736 0.381694183168} O5 40 1 8 {} {0.586262045504 0.509628077388 0.320101479919} O6 41 1 6 {} {0.596657206149 0.542028973908 0.502087836829} C5 42 1 6 {} {0.641380159493 0.741811738836 0.503469840687} C6 43 1 8 {} {0.568462633476 0.739719218809 0.374877974248} O7 44 1 8 {} {0.651009299578 0.774254676206 0.316300093167} O8 45 1 14 {} {0.580094491669 0.448980200551 0.247186997728} Si8 46 1 7 {} {0.592658507465 0.370927308441 0.290271174772} N4 47 1 14 {} {0.549091036152 0.314539715214 0.313565396302} Si9 48 1 14 {} {0.647264138562 0.345613710228 0.315415669473} Si10 49 1 7 {} {0.688224415373 0.391879927717 0.264195161469} N5 50 1 7 {} {0.525222514681 0.271501179393 0.226500681252} N6 51 1 1 {} {0.662529109349 0.618086859177 0.368218022497} H22 52 1 1 {} {0.628130949383 0.637124989364 0.276049758526} H23 53 1 1 {} {0.539162287893 0.660172444648 0.377344883679} H24 54 1 1 {} {0.628727791774 0.515351201391 0.505178890927} H25 55 1 1 {} {0.570454098526 0.506602499977 0.522273842056} H26 56 1 1 {} {0.597508495263 0.582605662812 0.55161558774} H27 57 1 1 {} {0.6361180154 0.794577818819 0.521671231635} H28 58 1 1 {} {0.676958129583 0.730355511453 0.512902211894} H29 59 1 1 {} {0.622347678087 0.711244130381 0.551145346767} H30 60 1 1 {} {0.557791006513 0.785424020953 0.371849598896} H31 61 1 1 {} {0.668898288309 0.809934818683 0.341297400872} H32 62 1 1 {} {0.532497710952 0.446880640988 0.218330772138} H33 63 1 1 {} {0.609346008955 0.465064707066 0.169789294451} H34 64 1 1 {} {0.568986453566 0.263772109248 0.374724941155} H35 65 1 1 {} {0.512245253927 0.352387513727 0.356794404598} H36 66 1 1 {} {0.656537625576 0.351721642599 0.412901982899} H37 67 1 1 {} {0.651119437677 0.274218079078 0.287272614668} H38 68 1 1 {} {0.701659530739 0.432521267437 0.294499897681} H39 69 1 1 {} {0.691205622529 0.39476523542 0.196778614653} H40 70 1 1 {} {0.50285293823 0.294554582646 0.185738376925} H41 71 1 1 {} {0.542601630016 0.235915191661 0.192593968248} 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