#MD System 2.0 @Title neb0_image03 @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 {} {0.352958542484 0.550269095614 0.422148600617} C1 1 1 14 {} {0.333885646146 0.517242410171 0.533228859215} Si1 2 1 14 {} {0.408178791933 0.592410933748 0.417975675813} Si2 3 1 8 {} {0.337157963766 0.577537000385 0.60848039579} O1 4 1 8 {} {0.281010388317 0.495295559393 0.525268411061} O2 5 1 6 {} {0.365551904399 0.441294006309 0.568618030023} C2 6 1 6 {} {0.457254289652 0.534806564755 0.411705255505} C3 7 1 8 {} {0.409798182247 0.636788801879 0.513064491439} O3 8 1 8 {} {0.408508687941 0.643293714869 0.330185408508} O4 9 1 14 {} {0.228653949961 0.500863170003 0.555907406186} Si3 10 1 7 {} {0.209018004653 0.422164857612 0.587320902044} N1 11 1 14 {} {0.172973975653 0.417838725673 0.679123592165} Si4 12 1 14 {} {0.224604990485 0.352172687029 0.523358720328} Si5 13 1 7 {} {0.225834283349 0.364540172749 0.409769602809} N2 14 1 7 {} {0.125466454462 0.466160641027 0.671997404273} N3 15 1 1 {} {0.352501395878 0.509830283276 0.372126026702} H1 16 1 1 {} {0.328016865163 0.587425922376 0.400162166939} H2 17 1 1 {} {0.36093844831 0.609670936064 0.595424046371} H3 18 1 1 {} {0.362223693152 0.400296527701 0.520113653102} H4 19 1 1 {} {0.352872495595 0.423237244119 0.633113847319} H5 20 1 1 {} {0.401259367628 0.452270642792 0.576901834336} H6 21 1 1 {} {0.489040357852 0.562435334516 0.410931134171} H7 22 1 1 {} {0.455830013602 0.504197547726 0.350726845764} H8 23 1 1 {} {0.458216906878 0.50063980967 0.469121268887} H9 24 1 1 {} {0.435040269835 0.666112944417 0.523356456441} H10 25 1 1 {} {0.436853319995 0.652084069906 0.301412308069} H11 26 1 1 {} {0.222877583311 0.546535913861 0.633896069859} H12 27 1 1 {} {0.203140696604 0.527437553024 0.478180623335} H13 28 1 1 {} {0.160087212181 0.346112236013 0.687304331033} H14 29 1 1 {} {0.19601347037 0.442155601374 0.761068867125} H15 30 1 1 {} {0.270540508316 0.330464031787 0.548285609598} H16 31 1 1 {} {0.191482239758 0.298736953994 0.543662636809} H17 32 1 1 {} {0.252267673119 0.388524118018 0.381828189518} H18 33 1 1 {} {0.197359386729 0.375190753934 0.375766944126} H19 34 1 1 {} {0.125274876398 0.513741028439 0.695764561267} H20 35 1 1 {} {0.102797948671 0.460208025224 0.62222151828} H21 36 1 6 {} {0.589016555255 0.332401813114 0.309717710774} C4 37 1 14 {} {0.584224247663 0.365911857808 0.426709549351} Si6 38 1 14 {} {0.573061055702 0.243299330896 0.291766251511} Si7 39 1 8 {} {0.612873245784 0.31688991954 0.494716197752} O5 40 1 8 {} {0.606887445004 0.441031031993 0.431698356389} O6 41 1 6 {} {0.524987772566 0.374645456671 0.463308739857} C5 42 1 6 {} {0.512164004686 0.23270652185 0.268162406165} C6 43 1 8 {} {0.588324223814 0.204678893364 0.386067034207} O7 44 1 8 {} {0.6027673718 0.206306536463 0.211916426391} O8 45 1 14 {} {0.650629646261 0.485810320037 0.460421983777} Si8 46 1 7 {} {0.635065428397 0.566915502737 0.487165931656} N4 47 1 14 {} {0.641544865449 0.594570046363 0.597895733371} Si9 48 1 14 {} {0.61118694471 0.620580748448 0.408419829004} Si10 49 1 7 {} {0.622255733579 0.601482159039 0.298319675258} N5 50 1 7 {} {0.694333712315 0.614269999045 0.633918022029} N6 51 1 1 {} {0.569596787398 0.36416139488 0.263758877805} H22 52 1 1 {} {0.62434046867 0.337537729119 0.290118039444} H23 53 1 1 {} {0.611312442879 0.269754703805 0.477228478375} H24 54 1 1 {} {0.505882047603 0.407609705363 0.418774537943} H25 55 1 1 {} {0.523764439046 0.396138207111 0.530835438659} H26 56 1 1 {} {0.508196365073 0.325747338439 0.465700700767} H27 57 1 1 {} {0.502827935509 0.179594414332 0.263509080783} H28 58 1 1 {} {0.502926640258 0.256876585064 0.204792594256} H29 59 1 1 {} {0.491740283097 0.255620483841 0.320892428353} H30 60 1 1 {} {0.591009537338 0.156332069965 0.383820417644} H31 61 1 1 {} {0.589571337323 0.202300345289 0.153182026899} H32 62 1 1 {} {0.672620115777 0.457038008435 0.540997905361} H33 63 1 1 {} {0.682339299476 0.48542603757 0.383712078267} H34 64 1 1 {} {0.614074915812 0.656722968803 0.604515979778} H35 65 1 1 {} {0.625224556671 0.541548723873 0.659719236033} H36 66 1 1 {} {0.561501707268 0.61968221847 0.416097423582} H37 67 1 1 {} {0.62816789231 0.689359456125 0.426591689701} H38 68 1 1 {} {0.605940984961 0.562769859484 0.268799053224} H39 69 1 1 {} {0.653932995307 0.604850606598 0.274519177113} H40 70 1 1 {} {0.71573325875 0.577172613429 0.651927044099} H41 71 1 1 {} {0.711314916004 0.653396904684 0.606868552553} 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