#MD System 2.0 @Title neb0_image03 @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 {} {0.352947347794 0.550268276598 0.422157288556} C1 1 1 14 {} {0.333910862649 0.517265725164 0.533213295455} Si1 2 1 14 {} {0.408189026655 0.59238524795 0.417972193614} Si2 3 1 8 {} {0.33715005991 0.577537919657 0.608479085689} O1 4 1 8 {} {0.28098983175 0.495277096478 0.525278017655} O2 5 1 6 {} {0.365544774273 0.441300319624 0.568607652821} C2 6 1 6 {} {0.457259917888 0.534785208766 0.411696474529} C3 7 1 8 {} {0.409786559798 0.636807203577 0.513068269669} O3 8 1 8 {} {0.408509531302 0.643273702509 0.330185534087} O4 9 1 14 {} {0.228660607208 0.50089163031 0.555886103238} Si3 10 1 7 {} {0.209010047798 0.422170423274 0.58731921036} N1 11 1 14 {} {0.17297375335 0.417814960867 0.679163828158} Si4 12 1 14 {} {0.224615155331 0.352158687664 0.523384319507} Si5 13 1 7 {} {0.225833377826 0.364524852492 0.409767092655} N2 14 1 7 {} {0.125467326632 0.466150237022 0.671982325766} N3 15 1 1 {} {0.352499156158 0.50983564592 0.372123710804} H1 16 1 1 {} {0.328015039161 0.58744087786 0.400158489143} H2 17 1 1 {} {0.360937206161 0.609670561031 0.595422684314} H3 18 1 1 {} {0.362224169237 0.400302301538 0.520109549039} H4 19 1 1 {} {0.352870274772 0.423243505264 0.633111540645} H5 20 1 1 {} {0.401256975164 0.452277617267 0.576901067593} H6 21 1 1 {} {0.489040255177 0.562434000609 0.410921715118} H7 22 1 1 {} {0.455833844613 0.504195163705 0.350724859725} H8 23 1 1 {} {0.458224404465 0.500623651029 0.469127405133} H9 24 1 1 {} {0.435044379994 0.666111755101 0.523355178754} H10 25 1 1 {} {0.436851664796 0.652083278374 0.30141452765} H11 26 1 1 {} {0.222871402715 0.546535366366 0.633901084903} H12 27 1 1 {} {0.203135076848 0.527434041959 0.478189861568} H13 28 1 1 {} {0.160082035747 0.346119674208 0.687296666792} H14 29 1 1 {} {0.196009441497 0.44215392793 0.761064476664} H15 30 1 1 {} {0.270540512352 0.330470009918 0.548293245315} H16 31 1 1 {} {0.191480681939 0.298740849952 0.543658029967} H17 32 1 1 {} {0.252266525988 0.388526544513 0.381827692648} H18 33 1 1 {} {0.197358165435 0.375190455117 0.375760356189} H19 34 1 1 {} {0.125269213861 0.513736248088 0.695764288096} H20 35 1 1 {} {0.102793701654 0.460215403732 0.622218760371} H21 36 1 6 {} {0.589014041278 0.332390035866 0.309707843064} C4 37 1 14 {} {0.584237755172 0.365959561792 0.426689096737} Si6 38 1 14 {} {0.573063126901 0.243303642504 0.291798488941} Si7 39 1 8 {} {0.61286384486 0.31688645807 0.494715342393} O5 40 1 8 {} {0.606885600696 0.440995339799 0.431714723141} O6 41 1 6 {} {0.524981537684 0.374658931926 0.463322602239} C5 42 1 6 {} {0.512160865044 0.232699438314 0.268159031631} C6 43 1 8 {} {0.588344919203 0.204672595883 0.386070738992} O7 44 1 8 {} {0.602781090452 0.206307672048 0.211910114008} O8 45 1 14 {} {0.650614819975 0.48584408914 0.460365271906} Si8 46 1 7 {} {0.635121610099 0.566925073573 0.487444970251} N4 47 1 14 {} {0.641367314155 0.594470960025 0.59774144129} Si9 48 1 14 {} {0.611235324546 0.620579140145 0.40795574917} Si10 49 1 7 {} {0.622224449864 0.601537259874 0.298381636275} N5 50 1 7 {} {0.694392593764 0.614286807729 0.633901139257} N6 51 1 1 {} {0.569598634258 0.364158571328 0.263765485549} H22 52 1 1 {} {0.624341469479 0.337536224142 0.290118277735} H23 53 1 1 {} {0.611312786728 0.269746362793 0.477232184376} H24 54 1 1 {} {0.505866338736 0.407634976429 0.418766309746} H25 55 1 1 {} {0.523767233269 0.396139099677 0.530840103562} H26 56 1 1 {} {0.508194873613 0.325750238083 0.465705391531} H27 57 1 1 {} {0.502824107166 0.179596560068 0.263502253141} H28 58 1 1 {} {0.502930577876 0.256882522174 0.204782585741} H29 59 1 1 {} {0.491738450221 0.255628815219 0.320885935308} H30 60 1 1 {} {0.591001302002 0.156326043523 0.383823898097} H31 61 1 1 {} {0.58957195789 0.20229630328 0.153190031792} H32 62 1 1 {} {0.672621215567 0.457029231554 0.541010369103} H33 63 1 1 {} {0.682348037129 0.485414906153 0.38372168769} H34 64 1 1 {} {0.6140965796 0.656731961585 0.604549021705} H35 65 1 1 {} {0.625241901894 0.541559534257 0.65977655598} H36 66 1 1 {} {0.561499320793 0.619664482749 0.416139451536} H37 67 1 1 {} {0.628164156976 0.689354878084 0.426663482369} H38 68 1 1 {} {0.605970393907 0.56278936508 0.268864522149} H39 69 1 1 {} {0.653906823129 0.604845569903 0.274570014081} H40 70 1 1 {} {0.71575808599 0.577131238334 0.651957323978} H41 71 1 1 {} {0.711336519903 0.653440066965 0.606837353033} 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