#MD System 2.0 @Title neb0_image02 @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 {} {0.205084695018 0.52874070912 0.309820354651} C1 1 1 14 {} {0.259023147342 0.491743375324 0.268058756091} Si1 2 1 14 {} {0.158368879007 0.537199057812 0.228871850896} Si2 3 1 8 {} {0.271616448665 0.52480548707 0.170245036814} O1 4 1 8 {} {0.299032768908 0.511981277879 0.338961715684} O2 5 1 6 {} {0.257053806919 0.398559085128 0.261041968784} C2 6 1 6 {} {0.126845482763 0.457476506312 0.211107323806} C3 7 1 8 {} {0.182857370422 0.562959464245 0.134533815425} O3 8 1 8 {} {0.123049340112 0.598371367618 0.255829917645} O4 9 1 14 {} {0.350493096726 0.540911766993 0.344105320832} Si3 10 1 7 {} {0.38524291577 0.478041002267 0.385753637444} N1 11 1 14 {} {0.439658198964 0.476414346664 0.34480901464} Si4 12 1 14 {} {0.36487806432 0.423830066487 0.468511879181} Si5 13 1 7 {} {0.335712250041 0.461582474427 0.553940600491} N2 14 1 7 {} {0.461635280521 0.556126906083 0.350942247217} N3 15 1 1 {} {0.193481437805 0.500107863549 0.368305043839} H1 16 1 1 {} {0.21294845718 0.579578637326 0.333979922404} H2 17 1 1 {} {0.246111557388 0.544944132208 0.139449646244} H3 18 1 1 {} {0.251894918461 0.375531427818 0.326849604895} H4 19 1 1 {} {0.288766142213 0.379520718342 0.234281219306} H5 20 1 1 {} {0.230281063843 0.381472359073 0.216325830852} H6 21 1 1 {} {0.100338471397 0.463695564984 0.161034450918} H7 22 1 1 {} {0.111303423614 0.439744307493 0.273286191373} H8 23 1 1 {} {0.149260058859 0.417681186421 0.187487803645} H9 24 1 1 {} {0.164380205812 0.586134250245 0.091375773337} H10 25 1 1 {} {0.0946699154973 0.585972033097 0.281880262038} H11 26 1 1 {} {0.366891940277 0.560938138239 0.254221210501} H12 27 1 1 {} {0.349358438635 0.59980497327 0.40517601843} H13 28 1 1 {} {0.463666054165 0.424023153243 0.397395530995} H14 29 1 1 {} {0.441769124227 0.4590847074 0.248004661137} H15 30 1 1 {} {0.33341568684 0.374696193068 0.428251490071} H16 31 1 1 {} {0.404345031051 0.389554796058 0.507800638574} H17 32 1 1 {} {0.304092796788 0.478080195143 0.542935934253} H18 33 1 1 {} {0.351696902554 0.492037235871 0.597906212489} H19 34 1 1 {} {0.484521723984 0.571091305344 0.305027549092} H20 35 1 1 {} {0.467420493101 0.578354388686 0.410855809722} H21 36 1 6 {} {0.655110262275 0.637121848313 0.502813778106} C4 37 1 14 {} {0.615621512477 0.573266192767 0.454975285918} Si6 38 1 14 {} {0.652709618052 0.723748290381 0.457956594834} Si7 39 1 8 {} {0.613254175913 0.581579057647 0.345334785328} O5 40 1 8 {} {0.635358310127 0.498548817143 0.479204062313} O6 41 1 6 {} {0.558547788128 0.57941598563 0.504139699274} C5 42 1 6 {} {0.605160541718 0.774233852593 0.502736066545} C6 43 1 8 {} {0.648422148176 0.713010617817 0.347518014797} O7 44 1 8 {} {0.7003463577 0.765165590781 0.473567594877} O8 45 1 14 {} {0.645981169449 0.420688641037 0.451368223636} Si8 46 1 7 {} {0.600624145242 0.368410308205 0.469239047376} N4 47 1 14 {} {0.581056169032 0.319317429486 0.380915027297} Si9 48 1 14 {} {0.575960072154 0.365142371568 0.576067837731} Si10 49 1 7 {} {0.611129193869 0.38391932165 0.66262395374} N5 50 1 7 {} {0.616033268222 0.256495236373 0.343517478607} N6 51 1 1 {} {0.650987920575 0.638645089883 0.575889830758} H22 52 1 1 {} {0.689188904318 0.61838031838 0.490352720776} H23 53 1 1 {} {0.625624726223 0.623894449627 0.323459809976} H24 54 1 1 {} {0.558648797389 0.569505037285 0.576310508928} H25 55 1 1 {} {0.536530712309 0.542410822629 0.472315716124} H26 56 1 1 {} {0.544083608932 0.629352846851 0.493180578518} H27 57 1 1 {} {0.604405900986 0.824652256559 0.473300989592} H28 58 1 1 {} {0.607206311817 0.779767295734 0.575678459276} H29 59 1 1 {} {0.57309901927 0.75008039561 0.487529857637} H30 60 1 1 {} {0.656475543064 0.750372792816 0.309552059655} H31 61 1 1 {} {0.700700862162 0.800185296737 0.518261475157} H32 62 1 1 {} {0.657452853906 0.415594345318 0.354571038967} H33 63 1 1 {} {0.685109043963 0.400295370104 0.50612867424} H34 64 1 1 {} {0.539295844859 0.287333322173 0.413781986757} H35 65 1 1 {} {0.57288604608 0.362119596617 0.301387131813} H36 66 1 1 {} {0.538698738908 0.41450171609 0.582213640435} H37 67 1 1 {} {0.558748969279 0.295669943741 0.587658627718} H38 68 1 1 {} {0.61768012203 0.432467998776 0.677798312542} H39 69 1 1 {} {0.638134515984 0.354852088975 0.676017224367} H40 70 1 1 {} {0.640663595053 0.267629675584 0.299287378921} H41 71 1 1 {} {0.625575498551 0.218738257991 0.384790407982} 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