#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 {} {0.22587597603 0.524313823149 0.347311864786} C1 1 1 14 {} {0.278064217953 0.486444453682 0.306529589048} Si1 2 1 14 {} {0.180473180261 0.533751808819 0.266758272174} Si2 3 1 8 {} {0.293497192813 0.515840355852 0.208213794239} O1 4 1 8 {} {0.311276413991 0.515844035777 0.387486698947} O2 5 1 6 {} {0.280776605839 0.39383836786 0.300913359352} C2 6 1 6 {} {0.150548832102 0.45305016987 0.248904315654} C3 7 1 8 {} {0.20618483665 0.561292594153 0.174482578395} O3 8 1 8 {} {0.144992346528 0.593932459491 0.295745455823} O4 9 1 14 {} {0.364837869986 0.533518018075 0.382287489289} Si3 10 1 7 {} {0.391937324472 0.456748466909 0.398488852295} N1 11 1 14 {} {0.441000665142 0.466076448088 0.321183482682} Si4 12 1 14 {} {0.382773582907 0.411486042084 0.504213589842} Si5 13 1 7 {} {0.358701824506 0.457759598251 0.589991210766} N2 14 1 7 {} {0.427385400209 0.537298386384 0.271362396504} N3 15 1 1 {} {0.216472079979 0.49573767846 0.406967800302} H1 16 1 1 {} {0.23705482509 0.573919791723 0.370241625337} H2 17 1 1 {} {0.270450579027 0.540958954608 0.17655465464} H3 18 1 1 {} {0.275663093763 0.370644886961 0.366472382824} H4 19 1 1 {} {0.31274340908 0.375521744296 0.274395000141} H5 20 1 1 {} {0.254556083792 0.375724305877 0.255595659731} H6 21 1 1 {} {0.123996520504 0.458877798758 0.198910696955} H7 22 1 1 {} {0.135327400586 0.436283011815 0.311919856849} H8 23 1 1 {} {0.173071722021 0.412941438643 0.22632502062} H9 24 1 1 {} {0.187761112711 0.582928138651 0.130197516475} H10 25 1 1 {} {0.117697069306 0.579297695057 0.323468628966} H11 26 1 1 {} {0.371852295637 0.561130430031 0.273505182297} H12 27 1 1 {} {0.375498068678 0.585834941895 0.439285414485} H13 28 1 1 {} {0.479318254268 0.465610186672 0.377094832347} H14 29 1 1 {} {0.44105317887 0.39951112615 0.259483769177} H15 30 1 1 {} {0.352495188814 0.357735922995 0.484621490024} H16 31 1 1 {} {0.425895461467 0.387701378424 0.540798828942} H17 32 1 1 {} {0.326720001429 0.47322645015 0.58511412477} H18 33 1 1 {} {0.376055392035 0.485279087916 0.634717598618} H19 34 1 1 {} {0.442401543215 0.575017605032 0.295435652261} H20 35 1 1 {} {0.367407835172 0.607984165362 0.281963604893} H21 36 1 6 {} {0.661945016643 0.654757592663 0.466307747432} C4 37 1 14 {} {0.617747365641 0.579770585327 0.447397759341} Si6 38 1 14 {} {0.638811766515 0.736110088253 0.416192464796} Si7 39 1 8 {} {0.58204720414 0.596272574937 0.362436154819} O5 40 1 8 {} {0.636364285601 0.499500869205 0.437410507425} O6 41 1 6 {} {0.579731515247 0.577471396467 0.552866082119} C5 42 1 6 {} {0.585852167405 0.773524543102 0.463225322428} C6 43 1 8 {} {0.630114239841 0.720107070511 0.308997532892} O7 44 1 8 {} {0.677423217859 0.791719834213 0.424948976992} O8 45 1 14 {} {0.628414648978 0.421276649274 0.41385055883} Si8 46 1 7 {} {0.577958970794 0.377436104545 0.432553266363} N4 47 1 14 {} {0.558147429703 0.32565483298 0.345149555899} Si9 48 1 14 {} {0.555316149545 0.36878153813 0.54104605639} Si10 49 1 7 {} {0.592326826312 0.384800278148 0.626181741425} N5 50 1 7 {} {0.591522799751 0.261722783009 0.304681249716} N6 51 1 1 {} {0.65665745354 0.654841367906 0.539020131002} H22 52 1 1 {} {0.69760294199 0.653672675274 0.467504685353} H23 53 1 1 {} {0.589873534573 0.621341203116 0.309139759548} H24 54 1 1 {} {0.590863581505 0.612572580958 0.595155708379} H25 55 1 1 {} {0.583480420975 0.534888158767 0.592209375743} H26 56 1 1 {} {0.548983997708 0.580767041172 0.528168599485} H27 57 1 1 {} {0.583457370699 0.8232169059 0.432928503889} H28 58 1 1 {} {0.584896929946 0.782103539252 0.535222366989} H29 59 1 1 {} {0.554143562956 0.749612135002 0.446399444502} H30 60 1 1 {} {0.631531166298 0.755757168972 0.266122049703} H31 61 1 1 {} {0.679906390711 0.816697754307 0.479698953323} H32 62 1 1 {} {0.633940477454 0.415319826833 0.315437350142} H33 63 1 1 {} {0.664828142774 0.392590814079 0.465630787258} H34 64 1 1 {} {0.516647523822 0.292004612218 0.376481542214} H35 65 1 1 {} {0.54876418421 0.367084496922 0.264523963747} H36 66 1 1 {} {0.51934956981 0.417758395087 0.560137620466} H37 67 1 1 {} {0.536473786868 0.29913184269 0.548874110181} H38 68 1 1 {} {0.594832706061 0.433395353482 0.643974800012} H39 69 1 1 {} {0.619715989672 0.35905407797 0.641555733431} H40 70 1 1 {} {0.615792465591 0.271915010832 0.259183446444} H41 71 1 1 {} {0.600394703992 0.22160973049 0.342251746458} 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