#MD System 2.0 @Title neb0_image09 @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 {} {0.22411806636 0.525233571933 0.340641938081} C1 1 1 14 {} {0.277951929863 0.48822955076 0.298777516787} Si1 2 1 14 {} {0.177499937152 0.533710915928 0.259767361369} Si2 3 1 8 {} {0.290618702073 0.521054533862 0.200881266317} O1 4 1 8 {} {0.317273774154 0.509159872378 0.370283368154} O2 5 1 6 {} {0.276153065183 0.395050022706 0.291985299962} C2 6 1 6 {} {0.145938915313 0.453981997852 0.241932076076} C3 7 1 8 {} {0.201971058663 0.559856015548 0.16557683048} O3 8 1 8 {} {0.142074945446 0.594704319219 0.286795712672} O4 9 1 14 {} {0.368657609378 0.537659029714 0.374225660698} Si3 10 1 7 {} {0.402128887393 0.472776530506 0.415198869076} N1 11 1 14 {} {0.455332479907 0.472485357096 0.367439232066} Si4 12 1 14 {} {0.383129422458 0.418981533101 0.500624585507} Si5 13 1 7 {} {0.354498572143 0.458087334738 0.585835320916} N2 14 1 7 {} {0.468209763355 0.555614856422 0.361485326044} N3 15 1 1 {} {0.212564989457 0.496614656142 0.399149788992} H1 16 1 1 {} {0.23204264024 0.576037478386 0.364804071333} H2 17 1 1 {} {0.265145762993 0.541438020595 0.170256939855} H3 18 1 1 {} {0.270969744678 0.371990333892 0.357789684375} H4 19 1 1 {} {0.307856790827 0.375959756242 0.265206724154} H5 20 1 1 {} {0.249380482852 0.377992680915 0.247255168365} H6 21 1 1 {} {0.119413201666 0.460204591344 0.191918850207} H7 22 1 1 {} {0.130394544469 0.436310984187 0.304160186422} H8 23 1 1 {} {0.168310205195 0.414111338553 0.218376591219} H9 24 1 1 {} {0.183398687603 0.582718478595 0.12224945841} H10 25 1 1 {} {0.113712393106 0.582255331562 0.312920522774} H11 26 1 1 {} {0.385065479441 0.557018900427 0.284264802965} H12 27 1 1 {} {0.368624341231 0.596390157821 0.436295248572} H13 28 1 1 {} {0.482095908242 0.425229523486 0.424137884286} H14 29 1 1 {} {0.459456429573 0.447926261086 0.271291002099} H15 30 1 1 {} {0.351946537821 0.369930886557 0.459862577816} H16 31 1 1 {} {0.423415617804 0.385934303897 0.538648247352} H17 32 1 1 {} {0.322904397188 0.474652036758 0.573989214595} H18 33 1 1 {} {0.370806215412 0.488742446938 0.629325852529} H19 34 1 1 {} {0.496753498335 0.565381573696 0.328457963035} H20 35 1 1 {} {0.465581406613 0.578368696207 0.422092571233} H21 36 1 6 {} {0.64092699885 0.643024709656 0.472124012462} C4 37 1 14 {} {0.60106425393 0.578980165697 0.429775537726} Si6 38 1 14 {} {0.634367826017 0.728542209434 0.42643972743} Si7 39 1 8 {} {0.593054660541 0.585832662127 0.319933179829} O5 40 1 8 {} {0.617947060786 0.501876049931 0.447814548264} O6 41 1 6 {} {0.547043704633 0.584228216396 0.488343620439} C5 42 1 6 {} {0.586154862008 0.777459904771 0.471759174215} C6 43 1 8 {} {0.62954553651 0.716345495193 0.316405482117} O7 44 1 8 {} {0.68166190267 0.769890222469 0.44219633486} O8 45 1 14 {} {0.627230805443 0.423073505038 0.420168411663} Si8 46 1 7 {} {0.581485642993 0.371986334081 0.438892620592} N4 47 1 14 {} {0.561967811037 0.322588742823 0.350012632029} Si9 48 1 14 {} {0.557073772882 0.368360542766 0.545486509968} Si10 49 1 7 {} {0.592576834819 0.387198751688 0.631884846172} N5 50 1 7 {} {0.596970894733 0.259943621368 0.312524522355} N6 51 1 1 {} {0.632672400415 0.641935007914 0.54389954456} H22 52 1 1 {} {0.67507033055 0.624201989118 0.460491277724} H23 53 1 1 {} {0.605456454931 0.626836024876 0.2929684793} H24 54 1 1 {} {0.546607624521 0.579163361647 0.562575156437} H25 55 1 1 {} {0.533378636312 0.538490562806 0.45672360114} H26 56 1 1 {} {0.528345235979 0.629756525188 0.467686010217} H27 57 1 1 {} {0.585429940975 0.827863248778 0.442358381132} H28 58 1 1 {} {0.588181078046 0.783211264895 0.544638118742} H29 59 1 1 {} {0.554002075895 0.753589345955 0.456603757946} H30 60 1 1 {} {0.637305955097 0.753782465795 0.278363929213} H31 61 1 1 {} {0.681685690605 0.804236809843 0.487563756555} H32 62 1 1 {} {0.638399784426 0.418981841785 0.323473462459} H33 63 1 1 {} {0.666291168444 0.403576437731 0.475423016067} H34 64 1 1 {} {0.520290516351 0.290673472251 0.38293304248} H35 65 1 1 {} {0.55380535551 0.365626021022 0.270761536768} H36 66 1 1 {} {0.520311855539 0.418003162433 0.553862357675} H37 67 1 1 {} {0.539655896659 0.299034788664 0.556839013008} H38 68 1 1 {} {0.598636316643 0.435937165687 0.647229450255} H39 69 1 1 {} {0.619588866676 0.358144862096 0.645764330854} H40 70 1 1 {} {0.621600351149 0.271072791496 0.268304559791} H41 71 1 1 {} {0.606493352951 0.222060830729 0.353680455778} 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