#MD System 2.0 @Title neb0_image07 @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 {} {0.221652399231 0.525800068322 0.337050259621} C1 1 1 14 {} {0.274493064074 0.488036538559 0.294998986895} Si1 2 1 14 {} {0.175326943288 0.534648138005 0.257076161024} Si2 3 1 8 {} {0.288117075835 0.517930718266 0.196009091618} O1 4 1 8 {} {0.310018814638 0.513873986048 0.371243929599} O2 5 1 6 {} {0.274542415751 0.394910214866 0.290409591772} C2 6 1 6 {} {0.144452121947 0.454498801008 0.239148954148} C3 7 1 8 {} {0.200016727346 0.562036690306 0.163919021225} O3 8 1 8 {} {0.139792908317 0.594511285906 0.286458245119} O4 9 1 14 {} {0.362246332331 0.535316923962 0.370244147286} Si3 10 1 7 {} {0.394308846387 0.466795787575 0.402129367646} N1 11 1 14 {} {0.443028653511 0.468216752726 0.341155135867} Si4 12 1 14 {} {0.379887363665 0.41764076448 0.495039958777} Si5 13 1 7 {} {0.352836384421 0.457690240518 0.581373082589} N2 14 1 7 {} {0.444213670859 0.553676796204 0.315461594472} N3 15 1 1 {} {0.210982735831 0.49731660664 0.396146145718} H1 16 1 1 {} {0.231047603668 0.576041790159 0.360967054127} H2 17 1 1 {} {0.263757516695 0.54156081842 0.166099444637} H3 18 1 1 {} {0.269225155735 0.371710821856 0.356007257348} H4 19 1 1 {} {0.306289717503 0.37592116638 0.263724659325} H5 20 1 1 {} {0.247945090277 0.377697547282 0.245245324595} H6 21 1 1 {} {0.117932295764 0.460721842902 0.1891765132} H7 22 1 1 {} {0.128913395928 0.437531479399 0.301755799702} H8 23 1 1 {} {0.166654710173 0.414232483426 0.216167940436} H9 24 1 1 {} {0.181037264321 0.583892016818 0.119783269964} H10 25 1 1 {} {0.111608955952 0.580431798221 0.312377706292} H11 26 1 1 {} {0.376157233885 0.556112798266 0.279271107406} H12 27 1 1 {} {0.368274940523 0.593615782114 0.432315515587} H13 28 1 1 {} {0.480640573807 0.448565456435 0.399908541879} H14 29 1 1 {} {0.446863898198 0.422584839685 0.259610697278} H15 30 1 1 {} {0.34854419041 0.365170546727 0.464964986173} H16 31 1 1 {} {0.420638982284 0.387200823922 0.534595613919} H17 32 1 1 {} {0.321326659547 0.474706396241 0.572615973595} H18 33 1 1 {} {0.368543069407 0.488091392811 0.625746151343} H19 34 1 1 {} {0.477252985685 0.571791022178 0.316947063684} H20 35 1 1 {} {0.425321038119 0.587565718266 0.340781988262} H21 36 1 6 {} {0.654269133998 0.644456262493 0.475238811854} C4 37 1 14 {} {0.611609793309 0.578264144898 0.443088783252} Si6 38 1 14 {} {0.640378377389 0.729712986477 0.428537378744} Si7 39 1 8 {} {0.588764807445 0.589563684296 0.342334400087} O5 40 1 8 {} {0.630834202815 0.501728996712 0.451741143093} O6 41 1 6 {} {0.565241981634 0.581226868973 0.524545654205} C5 42 1 6 {} {0.589400102745 0.775445066382 0.473786439604} C6 43 1 8 {} {0.632736899093 0.717694695655 0.31892860954} O7 44 1 8 {} {0.684200413268 0.780438403485 0.439221539002} O8 45 1 14 {} {0.631412130033 0.422625299135 0.423971323309} Si8 46 1 7 {} {0.583847264442 0.373860742437 0.441519810454} N4 47 1 14 {} {0.563731567215 0.322835946072 0.353191609868} Si9 48 1 14 {} {0.559320051977 0.367529405859 0.547673665962} Si10 49 1 7 {} {0.595649939493 0.386162865879 0.635124526017} N5 50 1 7 {} {0.597681463168 0.259778357194 0.313937937231} N6 51 1 1 {} {0.647166003441 0.647023861684 0.547615246174} H22 52 1 1 {} {0.690706528766 0.638657268919 0.47181444699} H23 53 1 1 {} {0.601619854211 0.623823534103 0.303355994063} H24 54 1 1 {} {0.573827186817 0.59772073655 0.590554938865} H25 55 1 1 {} {0.552820988925 0.528232150807 0.527948470273} H26 56 1 1 {} {0.537412522231 0.609572758867 0.496597686418} H27 57 1 1 {} {0.587727687555 0.826044259046 0.44430947706} H28 58 1 1 {} {0.590296813239 0.782712254145 0.546481846036} H29 59 1 1 {} {0.556946234922 0.75219573502 0.458443424332} H30 60 1 1 {} {0.638302816654 0.753856393926 0.277521798024} H31 61 1 1 {} {0.684374869345 0.809070705015 0.490549078887} H32 62 1 1 {} {0.640167882829 0.416540984909 0.32599098444} H33 63 1 1 {} {0.669534294544 0.397921695404 0.477827206106} H34 64 1 1 {} {0.521908117529 0.290261707105 0.38579200235} H35 65 1 1 {} {0.555223003908 0.365759365933 0.272924238762} H36 66 1 1 {} {0.522725994527 0.41660969682 0.560328490718} H37 67 1 1 {} {0.541859425554 0.297946354471 0.559355752081} H38 68 1 1 {} {0.600237695877 0.434682882263 0.651520817107} H39 69 1 1 {} {0.622820989154 0.358179054329 0.649435536299} H40 70 1 1 {} {0.622269159806 0.270531411962 0.26936326444} H41 71 1 1 {} {0.606759904723 0.220589443548 0.35330931206} 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