#MD System 2.0 @Title neb0_image08 @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 {} {0.225497834142 0.524547848054 0.345137082811} C1 1 1 14 {} {0.278005305667 0.486804912394 0.303755771515} Si1 2 1 14 {} {0.17992968245 0.533824952967 0.265210324135} Si2 3 1 8 {} {0.292830370963 0.516922059359 0.205369846276} O1 4 1 8 {} {0.310530180076 0.513186381882 0.385858219638} O2 5 1 6 {} {0.279473615644 0.393802317548 0.298438091528} C2 6 1 6 {} {0.149329181971 0.453525617772 0.246939399689} C3 7 1 8 {} {0.205101892575 0.561271642065 0.172141357573} O3 8 1 8 {} {0.144407825661 0.593983118389 0.294130187159} O4 9 1 14 {} {0.36366224235 0.533782796541 0.379050126515} Si3 10 1 7 {} {0.39438056459 0.460931208507 0.40480098616} N1 11 1 14 {} {0.443010456147 0.468505791627 0.334857856921} Si4 12 1 14 {} {0.383256624772 0.414663584237 0.502849939786} Si5 13 1 7 {} {0.357827273365 0.4575687017 0.588426514132} N2 14 1 7 {} {0.435596904834 0.55556670286 0.296965448472} N3 15 1 1 {} {0.215616125866 0.496063286203 0.404793903235} H1 16 1 1 {} {0.236001401997 0.5744837309 0.368812170131} H2 17 1 1 {} {0.268879532933 0.540756467307 0.174664415253} H3 18 1 1 {} {0.274253073126 0.3707505802 0.36416644303} H4 19 1 1 {} {0.311352263158 0.37516633103 0.271895918776} H5 20 1 1 {} {0.253050254759 0.37639833712 0.253293547145} H6 21 1 1 {} {0.122808077465 0.459626350188 0.197033372457} H7 22 1 1 {} {0.133961038722 0.436654687844 0.309852461776} H8 23 1 1 {} {0.171656307556 0.413244555253 0.224157982368} H9 24 1 1 {} {0.186486726825 0.582819716569 0.128087887361} H10 25 1 1 {} {0.116665880642 0.579654680168 0.320510981889} H11 26 1 1 {} {0.36843258511 0.55274415869 0.283436680653} H12 27 1 1 {} {0.373472468347 0.589287800271 0.438520050604} H13 28 1 1 {} {0.482207409811 0.459094066102 0.390328567125} H14 29 1 1 {} {0.4457486502 0.412504061364 0.263450860634} H15 30 1 1 {} {0.352473976072 0.361227741376 0.477663811886} H16 31 1 1 {} {0.425174815251 0.387264681378 0.540614332308} H17 32 1 1 {} {0.325763777286 0.473722545988 0.581395870302} H18 33 1 1 {} {0.37441896598 0.486462536064 0.633433397587} H19 34 1 1 {} {0.465210016809 0.578738964729 0.315190142534} H20 35 1 1 {} {0.412420950398 0.583691901021 0.302868075191} H21 36 1 6 {} {0.655886881938 0.65020766323 0.467947570958} C4 37 1 14 {} {0.613314004439 0.578983064542 0.441421118086} Si6 38 1 14 {} {0.637909146701 0.733313750449 0.419187042108} Si7 39 1 8 {} {0.583347172811 0.593143830317 0.348628050031} O5 40 1 8 {} {0.631865437845 0.500883164292 0.441196652134} O6 41 1 6 {} {0.570184508387 0.580799170458 0.534643027448} C5 42 1 6 {} {0.585930190939 0.774690858515 0.465132862006} C6 43 1 8 {} {0.630390643764 0.718729991253 0.311234890575} O7 44 1 8 {} {0.67899266379 0.786188218205 0.429376621794} O8 45 1 14 {} {0.628126196199 0.421938027483 0.41614113888} Si8 46 1 7 {} {0.578671250506 0.375657664014 0.432906242575} N4 47 1 14 {} {0.559022752352 0.325272799467 0.347138367478} Si9 48 1 14 {} {0.555438913056 0.368747246161 0.542375726633} Si10 49 1 7 {} {0.591767500544 0.385940180764 0.627545058121} N5 50 1 7 {} {0.592563598918 0.261228322831 0.30650603725} N6 51 1 1 {} {0.65006864136 0.651412985114 0.540547795284} H22 52 1 1 {} {0.691755122487 0.645992985886 0.466565952201} H23 53 1 1 {} {0.594131556799 0.623188320105 0.302460613127} H24 54 1 1 {} {0.580580040678 0.606351100214 0.590339635371} H25 55 1 1 {} {0.565446008492 0.529703802502 0.558277784648} H26 56 1 1 {} {0.540051984346 0.59624176309 0.508104742106} H27 57 1 1 {} {0.583791907955 0.824897565617 0.435207752381} H28 58 1 1 {} {0.585737175872 0.782725025752 0.537500393566} H29 59 1 1 {} {0.553889253965 0.751032578163 0.44891923308} H30 60 1 1 {} {0.633055500199 0.755361701795 0.269122423874} H31 61 1 1 {} {0.680392822484 0.813528436432 0.482950369662} H32 62 1 1 {} {0.635121432302 0.415957528072 0.31747308438} H33 63 1 1 {} {0.665172642405 0.39519950897 0.468402853785} H34 64 1 1 {} {0.51725982798 0.291576066188 0.378255902904} H35 65 1 1 {} {0.549861752378 0.366728885853 0.265893664194} H36 66 1 1 {} {0.518908891055 0.417577883351 0.556752273154} H37 67 1 1 {} {0.537020971867 0.298821532794 0.55081643618} H38 68 1 1 {} {0.595382326801 0.434049169853 0.64427810136} H39 69 1 1 {} {0.618971624417 0.359056664238 0.642158727337} H40 70 1 1 {} {0.617118748458 0.271746821786 0.260973341724} H41 71 1 1 {} {0.601654543954 0.221183870534 0.345324463679} 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