#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 {} {0.205119978243 0.528795257586 0.309779017065} C1 1 1 14 {} {0.258988776381 0.491694379408 0.268048965226} Si1 2 1 14 {} {0.158371939998 0.53719439095 0.228897140295} Si2 3 1 8 {} {0.271603511182 0.524553652256 0.170115847088} O1 4 1 8 {} {0.299109604648 0.511981358005 0.338932718139} O2 5 1 6 {} {0.257035740307 0.398523666798 0.26117280833} C2 6 1 6 {} {0.126824900169 0.457478098932 0.211146713094} C3 7 1 8 {} {0.182777970157 0.562883120112 0.134449110022} O3 8 1 8 {} {0.123063458794 0.598320377911 0.256068424934} O4 9 1 14 {} {0.350516638562 0.541005798123 0.344198573037} Si3 10 1 7 {} {0.385309542571 0.478117269251 0.385828102607} N1 11 1 14 {} {0.43965101766 0.47632637457 0.344634220854} Si4 12 1 14 {} {0.364956291358 0.423856860705 0.46865403296} Si5 13 1 7 {} {0.335698945358 0.461505625502 0.554019980277} N2 14 1 7 {} {0.461640327793 0.55604483486 0.350696357636} N3 15 1 1 {} {0.19349700717 0.50018640287 0.368247364999} H1 16 1 1 {} {0.212993074066 0.579639035193 0.333853567429} H2 17 1 1 {} {0.246159132018 0.544936884721 0.139360610773} H3 18 1 1 {} {0.251853255641 0.375406114869 0.326921944854} H4 19 1 1 {} {0.288747311409 0.379470728585 0.234415076976} H5 20 1 1 {} {0.230262278684 0.381541629898 0.216385667855} H6 21 1 1 {} {0.100339711302 0.463753857259 0.161020181506} H7 22 1 1 {} {0.111244206364 0.4397617745 0.273301149629} H8 23 1 1 {} {0.149224256595 0.417656928943 0.187531442328} H9 24 1 1 {} {0.164300362848 0.586163974841 0.0914361301205} H10 25 1 1 {} {0.0946757482013 0.585890053154 0.282020610455} H11 26 1 1 {} {0.366941731562 0.561026734062 0.254380704721} H12 27 1 1 {} {0.349372626577 0.599805426355 0.405234843792} H13 28 1 1 {} {0.463646823227 0.423913183399 0.397243551424} H14 29 1 1 {} {0.441743825114 0.458940919687 0.247934750394} H15 30 1 1 {} {0.333506301584 0.374715133814 0.428205509262} H16 31 1 1 {} {0.404416045303 0.389546460197 0.507772136577} H17 32 1 1 {} {0.304080748145 0.477971394578 0.54281347967} H18 33 1 1 {} {0.351606210596 0.492081444751 0.597858477171} H19 34 1 1 {} {0.484586556985 0.570973959197 0.304954881847} H20 35 1 1 {} {0.467307236599 0.578371725562 0.410638414435} H21 36 1 6 {} {0.655150100293 0.637205474529 0.502756210616} C4 37 1 14 {} {0.61565451103 0.57327606913 0.455151690454} Si6 38 1 14 {} {0.652710702828 0.723838101124 0.457978012218} Si7 39 1 8 {} {0.613058624707 0.581643387726 0.345482248153} O5 40 1 8 {} {0.63546965227 0.498626392372 0.479216819734} O6 41 1 6 {} {0.558597875554 0.57941075192 0.504497882898} C5 42 1 6 {} {0.605136603838 0.774304824616 0.502764105849} C6 43 1 8 {} {0.648405353887 0.712993360614 0.347441169006} O7 44 1 8 {} {0.700276144169 0.765300936922 0.473368677998} O8 45 1 14 {} {0.645982079844 0.420724929119 0.451447135699} Si8 46 1 7 {} {0.600665984482 0.368440242172 0.469396427407} N4 47 1 14 {} {0.581133865743 0.319304536004 0.380895025087} Si9 48 1 14 {} {0.575984445865 0.365093486857 0.575745603571} Si10 49 1 7 {} {0.610998760083 0.383887388403 0.662172347184} N5 50 1 7 {} {0.615961274459 0.256351612437 0.343265956629} N6 51 1 1 {} {0.651039836289 0.638658185548 0.57583216908} H22 52 1 1 {} {0.689246743213 0.618561976503 0.490230547256} H23 53 1 1 {} {0.625563077623 0.623843660323 0.323472559143} H24 54 1 1 {} {0.558606342067 0.569647798226 0.576683123697} H25 55 1 1 {} {0.536701898389 0.542280380825 0.472665498603} H26 56 1 1 {} {0.544080817106 0.629249709491 0.493285315881} H27 57 1 1 {} {0.604395926215 0.824701549629 0.473271702415} H28 58 1 1 {} {0.607184643451 0.779870249422 0.575703721059} H29 59 1 1 {} {0.573063776106 0.750163951795 0.487588476574} H30 60 1 1 {} {0.656495682082 0.75035040823 0.30948181045} H31 61 1 1 {} {0.700668713201 0.800237049784 0.518199251133} H32 62 1 1 {} {0.657460565196 0.415627401155 0.354551243539} H33 63 1 1 {} {0.685179806896 0.400338062143 0.506247764222} H34 64 1 1 {} {0.539289474545 0.287503251343 0.413812527896} H35 65 1 1 {} {0.572903346635 0.362247776927 0.301313091797} H36 66 1 1 {} {0.538657964234 0.414298080186 0.582386389801} H37 67 1 1 {} {0.558839494807 0.295505868011 0.587704785348} H38 68 1 1 {} {0.61763701489 0.432766527235 0.677866071488} H39 69 1 1 {} {0.638326753638 0.354696016769 0.676215673168} H40 70 1 1 {} {0.640545108579 0.267587219942 0.299150884999} H41 71 1 1 {} {0.625431807624 0.218731476566 0.384393711196} 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