#MD System 2.0 @Title neb0_image02 @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 {} {0.351095440246 0.555071507181 0.421935314738} C1 1 1 14 {} {0.331987559111 0.522025278474 0.532964406951} Si1 2 1 14 {} {0.406316699643 0.597211486547 0.417712616534} Si2 3 1 8 {} {0.335347857616 0.582328068904 0.60823145062} O1 4 1 8 {} {0.279161150705 0.500045543241 0.524974291824} O2 5 1 6 {} {0.363700542338 0.446095601726 0.568355898197} C2 6 1 6 {} {0.455420117523 0.539617768864 0.411438968093} C3 7 1 8 {} {0.407949552621 0.64163948296 0.512795030944} O3 8 1 8 {} {0.406670869102 0.648141794764 0.329922545299} O4 9 1 14 {} {0.226751091713 0.505655721783 0.555628951271} Si3 10 1 7 {} {0.207173163172 0.426948943558 0.587046915766} N1 11 1 14 {} {0.171135668085 0.422679090388 0.67890212997} Si4 12 1 14 {} {0.222771181557 0.356963853547 0.523007539985} Si5 13 1 7 {} {0.223995747996 0.369272062296 0.409415699444} N2 14 1 7 {} {0.123606710965 0.470970007345 0.671792410494} N3 15 1 1 {} {0.350659126391 0.514658821418 0.371882931786} H1 16 1 1 {} {0.326163519726 0.592227412025 0.399885684967} H2 17 1 1 {} {0.359093978485 0.614473954579 0.595144593106} H3 18 1 1 {} {0.360374950555 0.405096445423 0.519860729332} H4 19 1 1 {} {0.351031763982 0.428031647445 0.632867034259} H5 20 1 1 {} {0.399413568413 0.457089990145 0.576633169616} H6 21 1 1 {} {0.48719853016 0.567260870394 0.410669939348} H7 22 1 1 {} {0.453994258429 0.509023502458 0.350470409004} H8 23 1 1 {} {0.456385697132 0.505443311498 0.468869795822} H9 24 1 1 {} {0.433180084386 0.670958616684 0.523078458638} H10 25 1 1 {} {0.434996676978 0.656880704126 0.301138213505} H11 26 1 1 {} {0.221043513823 0.551350073875 0.63358649746} H12 27 1 1 {} {0.20131051389 0.532269642445 0.477890322332} H13 28 1 1 {} {0.158268834856 0.350972156854 0.687063392883} H14 29 1 1 {} {0.194189438091 0.447020233783 0.760805318463} H15 30 1 1 {} {0.268694496919 0.335287526735 0.547981053736} H16 31 1 1 {} {0.189645591334 0.303574207985 0.543389557258} H17 32 1 1 {} {0.250417520237 0.393338186178 0.381536764677} H18 33 1 1 {} {0.195500422615 0.380028507793 0.375485094919} H19 34 1 1 {} {0.123443897319 0.518580529523 0.695484781102} H20 35 1 1 {} {0.100952516185 0.465024578814 0.621954258937} H21 36 1 6 {} {0.590862384955 0.327617472039 0.30997458203} C4 37 1 14 {} {0.586071975057 0.36105612559 0.426982579546} Si6 38 1 14 {} {0.574915011394 0.238531280364 0.292033477355} Si7 39 1 8 {} {0.614703455657 0.312059585264 0.495021645397} O5 40 1 8 {} {0.608752517829 0.436153582221 0.431979951556} O6 41 1 6 {} {0.526831674179 0.369872505569 0.463583818052} C5 42 1 6 {} {0.514023806446 0.227867686222 0.268431522702} C6 43 1 8 {} {0.590159223135 0.199860465306 0.386298722275} O7 44 1 8 {} {0.604653927618 0.201608788932 0.212169491551} O8 45 1 14 {} {0.652445506387 0.480957913203 0.46066859859} Si8 46 1 7 {} {0.636949245095 0.562067547751 0.48762914022} N4 47 1 14 {} {0.643433207503 0.589754910554 0.598118843871} Si9 48 1 14 {} {0.612998591361 0.615760242949 0.408739653095} Si10 49 1 7 {} {0.624211495543 0.596427955276 0.298716132103} N5 50 1 7 {} {0.696086605213 0.609527844764 0.634397112967} N6 51 1 1 {} {0.571440185653 0.359364670487 0.264022355346} H22 52 1 1 {} {0.626187224624 0.33272588027 0.290397337161} H23 53 1 1 {} {0.613165126048 0.26490672304 0.477472022257} H24 54 1 1 {} {0.507708279288 0.402839677439 0.419017682534} H25 55 1 1 {} {0.525599600809 0.391327200233 0.531115005364} H26 56 1 1 {} {0.510034427265 0.32096426369 0.465930726913} H27 57 1 1 {} {0.504698627961 0.174752927983 0.263802593562} H28 58 1 1 {} {0.504746566782 0.252036111773 0.205080968853} H29 59 1 1 {} {0.493599440249 0.250751972888 0.321183361154} H30 60 1 1 {} {0.59290297619 0.151526645356 0.384052818708} H31 61 1 1 {} {0.591418281749 0.197504091216 0.153438941054} H32 62 1 1 {} {0.674474498304 0.452237839859 0.541291546351} H33 63 1 1 {} {0.684152991126 0.480615417989 0.3839771253} H34 64 1 1 {} {0.615921038531 0.65183675813 0.604698173881} H35 65 1 1 {} {0.627071510017 0.536765723901 0.659773645324} H36 66 1 1 {} {0.563261674851 0.614946238055 0.416325070509} H37 67 1 1 {} {0.630028985268 0.684576012743 0.426719584846} H38 68 1 1 {} {0.607770489071 0.558080812173 0.269063496339} H39 69 1 1 {} {0.655673925281 0.600004713293 0.274828982619} H40 70 1 1 {} {0.717618995089 0.57228345312 0.652238602338} H41 71 1 1 {} {0.713216244069 0.648698158128 0.607108824202} 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