#MD System 2.0 @Title neb0_image09 @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 {} {0.226143201576 0.524343373095 0.348061588723} C1 1 1 14 {} {0.278179334619 0.48651723438 0.307147945734} Si1 2 1 14 {} {0.180966245423 0.533710995583 0.26764136578} Si2 3 1 8 {} {0.294050337144 0.51529582693 0.208553710752} O1 4 1 8 {} {0.30939403829 0.516985415349 0.39130737473} O2 5 1 6 {} {0.281452750551 0.393590131782 0.301974916425} C2 6 1 6 {} {0.151283256079 0.452896072545 0.249926877116} C3 7 1 8 {} {0.206883975502 0.561440906174 0.175795214472} O3 8 1 8 {} {0.145705460049 0.593770815209 0.297123599703} O4 9 1 14 {} {0.363464190081 0.531660286237 0.382804411986} Si3 10 1 7 {} {0.390250414229 0.453657113898 0.397049272694} N1 11 1 14 {} {0.438013166987 0.463659212551 0.316363603749} Si4 12 1 14 {} {0.383057076844 0.410989658749 0.504289070211} Si5 13 1 7 {} {0.359418737555 0.456638495338 0.590490034667} N2 14 1 7 {} {0.422037319597 0.53713504125 0.253741753927} N3 15 1 1 {} {0.217248446087 0.495616307073 0.407890912416} H1 16 1 1 {} {0.237909184632 0.573605305782 0.371038389143} H2 17 1 1 {} {0.270985011722 0.540901962468 0.177109248628} H3 18 1 1 {} {0.276275627177 0.370479853835 0.367720280283} H4 19 1 1 {} {0.313451267049 0.375244179802 0.275459804887} H5 20 1 1 {} {0.255129067582 0.375521867867 0.256490584133} H6 21 1 1 {} {0.124747061366 0.458898990446 0.2000094198} H7 22 1 1 {} {0.136011929449 0.43631084109 0.312940144546} H8 23 1 1 {} {0.173666450747 0.412660319229 0.227376054711} H9 24 1 1 {} {0.188280375924 0.58289403637 0.131350983353} H10 25 1 1 {} {0.118325523678 0.57876788964 0.324764244688} H11 26 1 1 {} {0.369109092743 0.557416069604 0.273294086485} H12 27 1 1 {} {0.376359167144 0.58491423014 0.439829184355} H13 28 1 1 {} {0.479871809175 0.471420826289 0.372687965913} H14 29 1 1 {} {0.439011977004 0.390314241769 0.255835323193} H15 30 1 1 {} {0.352854146257 0.3567406788 0.488192525199} H16 31 1 1 {} {0.425634184989 0.387868282117 0.541635076145} H17 32 1 1 {} {0.3279599237 0.473452296128 0.587471016893} H18 33 1 1 {} {0.375821362701 0.485002447332 0.635451232609} H19 34 1 1 {} {0.436879585868 0.579138694569 0.292917306758} H20 35 1 1 {} {0.355928413462 0.616141728698 0.265034648086} H21 36 1 6 {} {0.665515815724 0.652437582228 0.464996114347} C4 37 1 14 {} {0.619378831432 0.579902887519 0.447206948605} Si6 38 1 14 {} {0.640359493969 0.734938289214 0.415416994564} Si7 39 1 8 {} {0.579388041659 0.597566275072 0.367200922784} O5 40 1 8 {} {0.639162527258 0.499821297721 0.438033495516} O6 41 1 6 {} {0.584681233515 0.576389495111 0.56007622684} C5 42 1 6 {} {0.585626145349 0.773144176453 0.461935686242} C6 43 1 8 {} {0.629638271177 0.721414368797 0.308085765211} O7 44 1 8 {} {0.677372098365 0.796169000531 0.422298115261} O8 45 1 14 {} {0.628472965679 0.422220843019 0.412951013373} Si8 46 1 7 {} {0.577892123668 0.378385300664 0.432119868181} N4 47 1 14 {} {0.557447025745 0.325870325333 0.344201786885} Si9 48 1 14 {} {0.554929632347 0.368406939432 0.540325361877} Si10 49 1 7 {} {0.592183260899 0.38468665675 0.625238887138} N5 50 1 7 {} {0.590785195366 0.261645983062 0.303266163671} N6 51 1 1 {} {0.660526365751 0.656623139123 0.537531153777} H22 52 1 1 {} {0.701670211174 0.659891489104 0.471886331849} H23 53 1 1 {} {0.587702615639 0.620946275485 0.309577207236} H24 54 1 1 {} {0.598237224155 0.618569139632 0.600979868459} H25 55 1 1 {} {0.588543434477 0.532320341348 0.612202542973} H26 56 1 1 {} {0.550107320674 0.573177146657 0.533166048461} H27 57 1 1 {} {0.582661003471 0.823236000389 0.431829652965} H28 58 1 1 {} {0.584248639005 0.782231912281 0.533944928271} H29 59 1 1 {} {0.553455073876 0.749822631743 0.445202596228} H30 60 1 1 {} {0.63070481966 0.756139513389 0.263236074282} H31 61 1 1 {} {0.679619302399 0.818255572045 0.479100537907} H32 62 1 1 {} {0.633238471077 0.414652321568 0.314476823236} H33 63 1 1 {} {0.664428534714 0.391814770493 0.464438075935} H34 64 1 1 {} {0.515796790628 0.291601212033 0.375355211287} H35 65 1 1 {} {0.548091315249 0.36710941705 0.263565220895} H36 66 1 1 {} {0.51915744053 0.417990165219 0.561730186109} H37 67 1 1 {} {0.53585567269 0.29884507862 0.548130448698} H38 68 1 1 {} {0.594251073799 0.433028474625 0.643158953785} H39 69 1 1 {} {0.619910797209 0.359151827265 0.641493214168} H40 70 1 1 {} {0.615126821257 0.271900088871 0.257934799953} H41 71 1 1 {} {0.599753192224 0.221395661969 0.340745525373} 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