#MD System 2.0 @Title neb0_image04 @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 {} {0.363838263296 0.56106664052 0.412874787434} C1 1 1 14 {} {0.340537343987 0.534428839928 0.523535619081} Si1 2 1 14 {} {0.425624069751 0.571697058597 0.40846034712} Si2 3 1 8 {} {0.353651069766 0.591192000713 0.599522797042} O1 4 1 8 {} {0.285541473268 0.532610691359 0.516533021508} O2 5 1 6 {} {0.359432082302 0.449218606932 0.558243486667} C2 6 1 6 {} {0.456555176385 0.491139195501 0.393836532721} C3 7 1 8 {} {0.438290367915 0.606965299048 0.507509279881} O3 8 1 8 {} {0.438131419237 0.623730803954 0.325253640694} O4 9 1 14 {} {0.235109090669 0.537053561607 0.5577824335} Si3 10 1 7 {} {0.215435166288 0.459111205005 0.592023745104} N1 11 1 14 {} {0.192949256542 0.450851362152 0.699325551256} Si4 12 1 14 {} {0.215969284267 0.391532714638 0.516947223902} Si5 13 1 7 {} {0.209899662849 0.412647767225 0.406522063722} N2 14 1 7 {} {0.142520676084 0.489824279692 0.719646920357} N3 15 1 1 {} {0.353801248827 0.525337317346 0.360568958107} H1 16 1 1 {} {0.348193627621 0.609402292836 0.395859486989} H2 17 1 1 {} {0.383508843522 0.609558925381 0.589929100246} H3 18 1 1 {} {0.350718586305 0.41062469201 0.508921654827} H4 19 1 1 {} {0.343704498086 0.435405482503 0.621949153616} H5 20 1 1 {} {0.395766345083 0.447988017544 0.568210655321} H6 21 1 1 {} {0.492374132929 0.501142215447 0.39070766925} H7 22 1 1 {} {0.44697817982 0.467192731629 0.3307594141} H8 23 1 1 {} {0.450355102497 0.455852237203 0.448456113512} H9 24 1 1 {} {0.4691287805 0.621127577157 0.513497617897} H10 25 1 1 {} {0.470151311879 0.625028415731 0.313961788309} H11 26 1 1 {} {0.233403583331 0.581413224432 0.63805347421} H12 27 1 1 {} {0.206249936535 0.565352614663 0.486159748113} H13 28 1 1 {} {0.186280592929 0.377715864242 0.713723850571} H14 29 1 1 {} {0.224506499693 0.479993281644 0.76548761411} H15 30 1 1 {} {0.259260751015 0.35486586591 0.522730478909} H16 31 1 1 {} {0.178399944394 0.346742270207 0.543526583326} H17 32 1 1 {} {0.236900351383 0.427266630345 0.370462742613} H18 33 1 1 {} {0.181907314155 0.436004393616 0.38432247934} H19 34 1 1 {} {0.141770941582 0.539438201515 0.734596219148} H20 35 1 1 {} {0.114510477935 0.4760866274 0.686046493923} H21 36 1 6 {} {0.627053825386 0.631583838472 0.350084011094} C4 37 1 14 {} {0.584261131882 0.569080264743 0.387630873034} Si6 38 1 14 {} {0.621416146468 0.720144593259 0.386629458309} Si7 39 1 8 {} {0.534146172328 0.605621134897 0.382111970731} O5 40 1 8 {} {0.584701534412 0.504653760233 0.320371379037} O6 41 1 6 {} {0.594957099376 0.537142945978 0.502441522553} C5 42 1 6 {} {0.63953775999 0.737136458977 0.503796754595} C6 43 1 8 {} {0.566509542709 0.734860776652 0.375107002447} O7 44 1 8 {} {0.649184860927 0.769420049908 0.316776976757} O8 45 1 14 {} {0.578196318033 0.444289756837 0.247374668969} Si8 46 1 7 {} {0.590793774407 0.366107626592 0.290448323881} N4 47 1 14 {} {0.54718218259 0.309867154452 0.314264603427} Si9 48 1 14 {} {0.645419393555 0.340740643356 0.315814157478} Si10 49 1 7 {} {0.686427831797 0.386996033232 0.264604593897} N5 50 1 7 {} {0.523259999885 0.266699588234 0.227042132524} N6 51 1 1 {} {0.66040759169 0.613264439374 0.368874136257} H22 52 1 1 {} {0.626277047383 0.632390570487 0.276466583652} H23 53 1 1 {} {0.536556665676 0.65459813424 0.377449689402} H24 54 1 1 {} {0.627070815568 0.510611948224 0.505126655191} H25 55 1 1 {} {0.568848328348 0.50162916459 0.522750766198} H26 56 1 1 {} {0.595887459371 0.577673154808 0.552028310863} H27 57 1 1 {} {0.634272329632 0.789910363555 0.521998911484} H28 58 1 1 {} {0.675127162233 0.725736003129 0.513194004062} H29 59 1 1 {} {0.620556032013 0.7065907309 0.551580201308} H30 60 1 1 {} {0.556087730211 0.780737375972 0.37220918625} H31 61 1 1 {} {0.667057596257 0.805148886024 0.341848222626} H32 62 1 1 {} {0.530644886641 0.442278099695 0.218751290723} H33 63 1 1 {} {0.607518510033 0.460287145328 0.170044727014} H34 64 1 1 {} {0.567151279802 0.259083831664 0.375169240572} H35 65 1 1 {} {0.510389209064 0.347846284456 0.357264978096} H36 66 1 1 {} {0.654641437835 0.346888691453 0.413294083497} H37 67 1 1 {} {0.649167738558 0.26936478842 0.287640102572} H38 68 1 1 {} {0.699680549076 0.427793280015 0.294954454006} H39 69 1 1 {} {0.689395315821 0.389944403956 0.197231200562} H40 70 1 1 {} {0.501082513187 0.289972116919 0.186111971879} H41 71 1 1 {} {0.540699097056 0.23123329505 0.193115739988} 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