#MD System 2.0 @Title neb0_image01 @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 {} {0.358101922237 0.546705233588 0.414062586076} C1 1 1 14 {} {0.334815556521 0.520053653169 0.524753143364} Si1 2 1 14 {} {0.41974921001 0.557518353926 0.409645875719} Si2 3 1 8 {} {0.347961810605 0.576800129335 0.600760513862} O1 4 1 8 {} {0.27981756313 0.518169286575 0.517813339317} O2 5 1 6 {} {0.353754881874 0.434840260047 0.559431735568} C2 6 1 6 {} {0.450995596778 0.477332288566 0.394970567517} C3 7 1 8 {} {0.432693239934 0.592527036739 0.508505023834} O3 8 1 8 {} {0.432785776861 0.608877404713 0.326534098289} O4 9 1 14 {} {0.229433695103 0.522785690932 0.559032031753} Si3 10 1 7 {} {0.209721351818 0.444690746285 0.593179654654} N1 11 1 14 {} {0.18726817107 0.436406647263 0.700633658926} Si4 12 1 14 {} {0.210285672065 0.376992610981 0.518147406857} Si5 13 1 7 {} {0.204226358916 0.398418058824 0.407803392277} N2 14 1 7 {} {0.136841722378 0.475455419575 0.720703107842} N3 15 1 1 {} {0.34808700288 0.51095690108 0.361741189922} H1 16 1 1 {} {0.342470235374 0.595059334104 0.397048116461} H2 17 1 1 {} {0.377830794538 0.595233223851 0.591137121435} H3 18 1 1 {} {0.34503714424 0.396269772595 0.51010906944} H4 19 1 1 {} {0.338049793546 0.421050831552 0.623152263642} H5 20 1 1 {} {0.390095939597 0.433635176132 0.569414832134} H6 21 1 1 {} {0.487084064714 0.486925308223 0.391807620426} H7 22 1 1 {} {0.441406833814 0.453042714728 0.331962911614} H8 23 1 1 {} {0.444874736303 0.441750318333 0.44945916887} H9 24 1 1 {} {0.46344104899 0.607136790565 0.514735781036} H10 25 1 1 {} {0.46475825703 0.611733632852 0.315181786418} H11 26 1 1 {} {0.227684916421 0.567000098669 0.639289644903} H12 27 1 1 {} {0.200552722555 0.550936087762 0.487377201033} H13 28 1 1 {} {0.180552450456 0.363327312949 0.714911715996} H14 29 1 1 {} {0.218808494117 0.465608090863 0.766659396743} H15 30 1 1 {} {0.253596564391 0.340505063802 0.523960501356} H16 31 1 1 {} {0.17271241385 0.332308964575 0.54471205794} H17 32 1 1 {} {0.231218915133 0.412848039383 0.371625700449} H18 33 1 1 {} {0.176187116472 0.421581394373 0.385488010137} H19 34 1 1 {} {0.136061595163 0.525042237527 0.735803763363} H20 35 1 1 {} {0.108792832744 0.461714327986 0.68721860222} H21 36 1 6 {} {0.632715894407 0.645977239819 0.348945852585} C4 37 1 14 {} {0.58963002085 0.583458007209 0.386341552524} Si6 38 1 14 {} {0.627073068425 0.734451606771 0.385418692692} Si7 39 1 8 {} {0.539349581869 0.619095406161 0.3809292466} O5 40 1 8 {} {0.590398411534 0.518972101557 0.319245045612} O6 41 1 6 {} {0.600678622673 0.551501200686 0.501235291247} C5 42 1 6 {} {0.645222095283 0.751515056112 0.502641911597} C6 43 1 8 {} {0.572219991198 0.749290476147 0.373878432506} O7 44 1 8 {} {0.65493019853 0.783760152515 0.315611113036} O8 45 1 14 {} {0.583997434938 0.458570353874 0.246337611198} Si8 46 1 7 {} {0.596492158866 0.380510123181 0.289324860555} N4 47 1 14 {} {0.552877735706 0.324171192916 0.312749598872} Si9 48 1 14 {} {0.651037347035 0.355160234603 0.31455339826} Si10 49 1 7 {} {0.692142916343 0.40125661884 0.263466507633} N5 50 1 7 {} {0.52885590053 0.280997883772 0.225940656782} N6 51 1 1 {} {0.666132610332 0.627633743272 0.367725851971} H22 52 1 1 {} {0.631981583257 0.646766215302 0.275269842877} H23 53 1 1 {} {0.541590651606 0.668146444504 0.375984314501} H24 54 1 1 {} {0.632798151676 0.524930752834 0.503910672075} H25 55 1 1 {} {0.574589581894 0.515949683236 0.521561859639} H26 56 1 1 {} {0.601601702146 0.592013194721 0.550838681408} H27 57 1 1 {} {0.639963309112 0.804287858796 0.520819183035} H28 58 1 1 {} {0.680815497297 0.740118951896 0.512020039233} H29 59 1 1 {} {0.626245754044 0.720960861599 0.55040106} H30 60 1 1 {} {0.561792108194 0.795154291829 0.371030675347} H31 61 1 1 {} {0.672756020485 0.819527334534 0.340712729943} H32 62 1 1 {} {0.536343111684 0.456686567159 0.217601043415} H33 63 1 1 {} {0.61320351048 0.474657347335 0.168817181639} H34 64 1 1 {} {0.572837040989 0.273504455266 0.374019205631} H35 65 1 1 {} {0.516134181854 0.362175892624 0.356070990427} H36 66 1 1 {} {0.66033472952 0.361211917006 0.412063647896} H37 67 1 1 {} {0.654822526033 0.283732082645 0.286498462042} H38 68 1 1 {} {0.70531790983 0.442150508004 0.29374691357} H39 69 1 1 {} {0.695087949373 0.404325259015 0.196093362704} H40 70 1 1 {} {0.50680112631 0.304417786522 0.184942330513} H41 71 1 1 {} {0.546395489477 0.245659006533 0.192031211263} 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