#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 {} {0.371309814659 0.580105619348 0.411313538539} C1 1 1 14 {} {0.348023448943 0.553454038929 0.522004095827} Si1 2 1 14 {} {0.432957102432 0.590918739686 0.406896828182} Si2 3 1 8 {} {0.361169703027 0.610200515095 0.598011466325} O1 4 1 8 {} {0.293025455552 0.551569672335 0.51506429178} O2 5 1 6 {} {0.366962774296 0.468240645807 0.556682688031} C2 6 1 6 {} {0.464203489199 0.510732674326 0.39222151998} C3 7 1 8 {} {0.445901132355 0.625927422499 0.505755976297} O3 8 1 8 {} {0.445993669283 0.642277790473 0.323785050752} O4 9 1 14 {} {0.242641587524 0.556186076692 0.556282984216} Si3 10 1 7 {} {0.222929244239 0.478091132045 0.590430607117} N1 11 1 14 {} {0.200476063491 0.469807033023 0.697884611389} Si4 12 1 14 {} {0.223493564486 0.410392996741 0.51539835932} Si5 13 1 7 {} {0.217434251337 0.431818444584 0.40505434474} N2 14 1 7 {} {0.150049614799 0.508855805335 0.717954060305} N3 15 1 1 {} {0.361294895302 0.54435728684 0.358992142385} H1 16 1 1 {} {0.355678127796 0.628459719864 0.394299068924} H2 17 1 1 {} {0.39103868696 0.628633609611 0.588388073898} H3 18 1 1 {} {0.358245036662 0.429670158355 0.507360021903} H4 19 1 1 {} {0.351257685968 0.454451217312 0.620403216105} H5 20 1 1 {} {0.403303832018 0.467035561892 0.566665784597} H6 21 1 1 {} {0.500291957136 0.520325693983 0.389058572889} H7 22 1 1 {} {0.454614726236 0.486443100488 0.329213864077} H8 23 1 1 {} {0.458082628724 0.475150704093 0.446710121333} H9 24 1 1 {} {0.476648941411 0.640537176325 0.511986733499} H10 25 1 1 {} {0.477966149452 0.645134018612 0.312432738881} H11 26 1 1 {} {0.240892808842 0.600400484429 0.636540597366} H12 27 1 1 {} {0.213760614976 0.584336473522 0.484628153496} H13 28 1 1 {} {0.193760342877 0.396727698709 0.712162668459} H14 29 1 1 {} {0.232016386538 0.499008476623 0.763910349206} H15 30 1 1 {} {0.266804456813 0.373905449562 0.521211453819} H16 31 1 1 {} {0.185920306271 0.365709350335 0.541963010403} H17 32 1 1 {} {0.244426807554 0.446248425143 0.368876652912} H18 33 1 1 {} {0.189395008893 0.454981780133 0.3827389626} H19 34 1 1 {} {0.149269487584 0.558442623287 0.733054715826} H20 35 1 1 {} {0.122000725165 0.495114713746 0.684469554683} H21 36 1 6 {} {0.619508001985 0.612576854059 0.351694900122} C4 37 1 14 {} {0.576422128428 0.550057621449 0.389090600061} Si6 38 1 14 {} {0.613865176003 0.701051221011 0.388167740229} Si7 39 1 8 {} {0.526141689447 0.585695020401 0.383678294137} O5 40 1 8 {} {0.577190519112 0.485571715797 0.321994093149} O6 41 1 6 {} {0.587470730251 0.518100814926 0.503984338784} C5 42 1 6 {} {0.632014202861 0.718114670352 0.505390959134} C6 43 1 8 {} {0.559012098777 0.715890090387 0.376627480043} O7 44 1 8 {} {0.641722306108 0.750359766755 0.318360160573} O8 45 1 14 {} {0.570789542517 0.425169968114 0.249086658735} Si8 46 1 7 {} {0.583284266445 0.347109737421 0.292073908092} N4 47 1 14 {} {0.539669843284 0.290770807156 0.315498646409} Si9 48 1 14 {} {0.637829454614 0.321759848843 0.317302445797} Si10 49 1 7 {} {0.678935023921 0.36785623308 0.26621555517} N5 50 1 7 {} {0.515648008108 0.247597498012 0.228689704319} N6 51 1 1 {} {0.65292471791 0.594233357512 0.370474899508} H22 52 1 1 {} {0.618773690836 0.613365829542 0.278018890414} H23 53 1 1 {} {0.528382759184 0.634746058744 0.378733362038} H24 54 1 1 {} {0.619590259255 0.491530367074 0.506659719612} H25 55 1 1 {} {0.561381689472 0.482549297476 0.524310907176} H26 56 1 1 {} {0.588393809725 0.558612808961 0.553587728945} H27 57 1 1 {} {0.62675541669 0.770887473036 0.523568230572} H28 58 1 1 {} {0.667607604875 0.706718566136 0.51476908677} H29 59 1 1 {} {0.613037861622 0.687560475839 0.553150107537} H30 60 1 1 {} {0.548584215772 0.761753906069 0.373779722884} H31 61 1 1 {} {0.659548128064 0.786126948774 0.34346177748} H32 62 1 1 {} {0.523135219263 0.423286181399 0.220350090952} H33 63 1 1 {} {0.599995618058 0.441256961575 0.171566229176} H34 64 1 1 {} {0.559629148567 0.240104069506 0.376768253168} H35 65 1 1 {} {0.502926289433 0.328775506864 0.358820037964} H36 66 1 1 {} {0.647126837098 0.327811531246 0.414812695433} H37 67 1 1 {} {0.641614633611 0.250331696885 0.289247509579} H38 68 1 1 {} {0.692110017408 0.408750122244 0.296495961107} H39 69 1 1 {} {0.681880056951 0.370924873255 0.198842410241} H40 70 1 1 {} {0.493593233888 0.271017400762 0.18769137805} H41 71 1 1 {} {0.533187597055 0.212258620773 0.1947802588} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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