#MD System 2.0 @Title neb0_image05 @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 {} {0.356644375288 0.540558171552 0.422730638815} C1 1 1 14 {} {0.337569705573 0.507505346261 0.533751374347} Si1 2 1 14 {} {0.411680219085 0.583105641752 0.418394926687} Si2 3 1 8 {} {0.340888560836 0.567808809248 0.60899834782} O1 4 1 8 {} {0.284700203587 0.485607949777 0.525797154455} O2 5 1 6 {} {0.369266414641 0.431567363551 0.569161558643} C2 6 1 6 {} {0.460681732927 0.525799437298 0.41204803195} C3 7 1 8 {} {0.413491755012 0.627084708724 0.513732452238} O3 8 1 8 {} {0.412123976746 0.633804017094 0.33048944005} O4 9 1 14 {} {0.232300002802 0.491163806744 0.556422919919} Si3 10 1 7 {} {0.212734766646 0.412420841268 0.58788100755} N1 11 1 14 {} {0.176699370236 0.408118017073 0.679736149161} Si4 12 1 14 {} {0.228334112982 0.342425353437 0.523879912427} Si5 13 1 7 {} {0.22953709712 0.354882850526 0.410308029032} N2 14 1 7 {} {0.12918706772 0.456461512238 0.672573505439} N3 15 1 1 {} {0.356230147053 0.500127808242 0.372692951434} H1 16 1 1 {} {0.331696231743 0.577660696419 0.400710336214} H2 17 1 1 {} {0.364648324288 0.59994304177 0.595955785256} H3 18 1 1 {} {0.365937723227 0.390559937018 0.520680279453} H4 19 1 1 {} {0.356595109703 0.413496536518 0.633667641507} H5 20 1 1 {} {0.40498217591 0.442535379984 0.577438132967} H6 21 1 1 {} {0.492642517661 0.552842364743 0.411566279377} H7 22 1 1 {} {0.459330671161 0.494874842211 0.351460773015} H8 23 1 1 {} {0.461518018147 0.491810881618 0.469495489162} H9 24 1 1 {} {0.438741680863 0.656419439053 0.523870805566} H10 25 1 1 {} {0.440566409656 0.642413654219 0.302010156245} H11 26 1 1 {} {0.226592599145 0.536816544433 0.634419359224} H12 27 1 1 {} {0.206846627412 0.51773534932 0.47867000693} H13 28 1 1 {} {0.163820206791 0.336407044901 0.687881699478} H14 29 1 1 {} {0.199751893366 0.432465972879 0.761627271344} H15 30 1 1 {} {0.274253148542 0.320735891237 0.548794945252} H16 31 1 1 {} {0.195202085616 0.28902249979 0.544207088409} H17 32 1 1 {} {0.255986702658 0.378809765871 0.382351174396} H18 33 1 1 {} {0.201050547507 0.36549564569 0.376291579027} H19 34 1 1 {} {0.129004293471 0.504057408364 0.696298863431} H20 35 1 1 {} {0.106518127379 0.450473786703 0.622776384917} H21 36 1 6 {} {0.585304384363 0.342150115831 0.309186615217} C4 37 1 14 {} {0.580666072815 0.375488637163 0.426238767166} Si6 38 1 14 {} {0.569357822053 0.253064073039 0.291244605141} Si7 39 1 8 {} {0.609302627873 0.326574138208 0.494215428354} O5 40 1 8 {} {0.603142506759 0.450732072592 0.431117693938} O6 41 1 6 {} {0.521606975648 0.383613928952 0.463055794792} C5 42 1 6 {} {0.508457776289 0.242421389312 0.26764430708} C6 43 1 8 {} {0.584643434271 0.214424884013 0.38549290986} O7 44 1 8 {} {0.599073782201 0.216044742041 0.211395040062} O8 45 1 14 {} {0.646886814888 0.495479457183 0.459784848459} Si8 46 1 7 {} {0.631374754102 0.576536208468 0.486883445282} N4 47 1 14 {} {0.637921630239 0.604274162818 0.597258058534} Si9 48 1 14 {} {0.607463708165 0.630241458625 0.407941477351} Si10 49 1 7 {} {0.618621294127 0.610960455913 0.297965478379} N5 50 1 7 {} {0.690576811589 0.624037254736 0.633633772709} N6 51 1 1 {} {0.565885922385 0.373882884258 0.263205803193} H22 52 1 1 {} {0.620622883032 0.347253783601 0.28957816136} H23 53 1 1 {} {0.607614830299 0.279440288525 0.476685594605} H24 54 1 1 {} {0.502705918237 0.416313851522 0.418138495031} H25 55 1 1 {} {0.520105192829 0.405695369607 0.530138031897} H26 56 1 1 {} {0.504548502247 0.334977187651 0.465301307182} H27 57 1 1 {} {0.499143480872 0.189305221943 0.263007828896} H28 58 1 1 {} {0.499192733519 0.266562956706 0.204269888716} H29 59 1 1 {} {0.488032666373 0.265289846497 0.320405589143} H30 60 1 1 {} {0.587336518427 0.166067213049 0.383255735071} H31 61 1 1 {} {0.585868643748 0.212019626344 0.152638133265} H32 62 1 1 {} {0.668914899029 0.466783584983 0.540458697662} H33 63 1 1 {} {0.678613614377 0.495154058267 0.383128666363} H34 64 1 1 {} {0.610362012589 0.666320420176 0.60384443456} H35 65 1 1 {} {0.621510939746 0.551299286597 0.65888304061} H36 66 1 1 {} {0.557710803122 0.629457584523 0.415471871297} H37 67 1 1 {} {0.624440412377 0.699106696938 0.425891766734} H38 68 1 1 {} {0.6022290492 0.572583140454 0.268203070121} H39 69 1 1 {} {0.650123255725 0.614539870318 0.273985102226} H40 70 1 1 {} {0.712073869671 0.586794348947 0.651437305014} H41 71 1 1 {} {0.707640816229 0.663217796591 0.606327085215} 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