#MD System 2.0 @Title neb0_image05 @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 {} {0.214016868484 0.527288100718 0.323488767278} C1 1 1 14 {} {0.267701603273 0.489806904875 0.282372688962} Si1 2 1 14 {} {0.16739334538 0.535206546924 0.242724068176} Si2 3 1 8 {} {0.280125476647 0.520924354721 0.183258243177} O1 4 1 8 {} {0.307357848597 0.511151120999 0.353322586833} O2 5 1 6 {} {0.265789850835 0.396653707321 0.275700394179} C2 6 1 6 {} {0.135772914084 0.455598338721 0.225314746954} C3 7 1 8 {} {0.191465603363 0.562033167529 0.148739428478} O3 8 1 8 {} {0.131966300725 0.595436489206 0.271484988961} O4 9 1 14 {} {0.358876609351 0.539641302922 0.35863998265} Si3 10 1 7 {} {0.392346450063 0.475304602158 0.399532287964} N1 11 1 14 {} {0.444257473645 0.47218478732 0.349616191654} Si4 12 1 14 {} {0.373253785488 0.421703828354 0.483757842178} Si5 13 1 7 {} {0.344089869626 0.459621300521 0.569020124122} N2 14 1 7 {} {0.456359529932 0.558721224162 0.34075907124} N3 15 1 1 {} {0.20243835158 0.498645352805 0.38191830489} H1 16 1 1 {} {0.222180898054 0.578092970186 0.347305249546} H2 17 1 1 {} {0.255350324109 0.543186459726 0.152981707189} H3 18 1 1 {} {0.260519446848 0.373102508648 0.341015524644} H4 19 1 1 {} {0.29741962786 0.377200397033 0.24911530353} H5 20 1 1 {} {0.238987267366 0.379995322343 0.230822706416} H6 21 1 1 {} {0.109278640502 0.462437102657 0.175303802132} H7 22 1 1 {} {0.120082882301 0.438382905113 0.287700338344} H8 23 1 1 {} {0.157893714346 0.415404287621 0.201790151989} H9 24 1 1 {} {0.172581460067 0.584949945762 0.105680944878} H10 25 1 1 {} {0.103457406266 0.583024662552 0.29712561484} H11 26 1 1 {} {0.375218766591 0.559348767924 0.269331538307} H12 27 1 1 {} {0.358207134148 0.59805721112 0.41990202071} H13 28 1 1 {} {0.47250839631 0.427015715737 0.407922659325} H14 29 1 1 {} {0.449005546549 0.449988957715 0.256118986603} H15 30 1 1 {} {0.342024056511 0.372374398331 0.442899466123} H16 31 1 1 {} {0.413279179528 0.38781398759 0.521493772402} H17 32 1 1 {} {0.312751592817 0.476500122858 0.557135039797} H18 33 1 1 {} {0.360070280574 0.490884365349 0.612160951437} H19 34 1 1 {} {0.490252989596 0.565121179127 0.314797112848} H20 35 1 1 {} {0.458035573968 0.579522034892 0.403111653997} H21 36 1 6 {} {0.64989192585 0.640472863318 0.488200971399} C4 37 1 14 {} {0.610964104931 0.577013058816 0.446094250985} Si6 38 1 14 {} {0.644580467171 0.726376937828 0.442954169031} Si7 39 1 8 {} {0.601208571046 0.584834363793 0.336844142324} O5 40 1 8 {} {0.628304556677 0.500449476078 0.465082025906} O6 41 1 6 {} {0.558314214883 0.58375211158 0.507669037974} C5 42 1 6 {} {0.596551788733 0.776135570187 0.488407665727} C6 43 1 8 {} {0.63973257798 0.714719554029 0.332720049229} O7 44 1 8 {} {0.691978440859 0.768293350842 0.458285636627} O8 45 1 14 {} {0.637443771545 0.42230171274 0.437825191017} Si8 46 1 7 {} {0.591931260879 0.370062985881 0.454943360386} N4 47 1 14 {} {0.572585062932 0.32071135721 0.367285206739} Si9 48 1 14 {} {0.566516771772 0.366656484384 0.560660750877} Si10 49 1 7 {} {0.603037092005 0.385631297086 0.647187009725} N5 50 1 7 {} {0.606424523063 0.257711957878 0.327652084597} N6 51 1 1 {} {0.643429880694 0.640544910908 0.560620348124} H22 52 1 1 {} {0.684035970395 0.622928297425 0.47636048545} H23 53 1 1 {} {0.615664969518 0.624413771581 0.310096088004} H24 54 1 1 {} {0.556447312275 0.577027292605 0.580328932908} H25 55 1 1 {} {0.544507438966 0.537145839548 0.476907851546} H26 56 1 1 {} {0.538770805309 0.628107541877 0.485768033296} H27 57 1 1 {} {0.595619268777 0.826509221779 0.458700131042} H28 58 1 1 {} {0.598504825048 0.781801895657 0.561401350573} H29 59 1 1 {} {0.564384841846 0.752194119227 0.473348675512} H30 60 1 1 {} {0.647739410049 0.751776391284 0.294265275254} H31 61 1 1 {} {0.69214745489 0.802383430304 0.503659923825} H32 62 1 1 {} {0.648641885329 0.417616566978 0.340206155881} H33 63 1 1 {} {0.676708007257 0.402376718334 0.492397740612} H34 64 1 1 {} {0.530540413104 0.28942610224 0.400020014053} H35 65 1 1 {} {0.564078994427 0.364000492253 0.287612703354} H36 66 1 1 {} {0.5295466932 0.415693194133 0.570304787779} H37 67 1 1 {} {0.550141530266 0.296599502578 0.573603638761} H38 68 1 1 {} {0.608398737995 0.434017040839 0.663631341268} H39 69 1 1 {} {0.629266342523 0.356559929086 0.662159259363} H40 70 1 1 {} {0.631278853738 0.269198669903 0.284310729147} H41 71 1 1 {} {0.616041981878 0.219534493522 0.368928973125} 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