#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 {} {0.22372931198 0.525300376562 0.340037815172} C1 1 1 14 {} {0.27770979941 0.488351266685 0.298291129699} Si1 2 1 14 {} {0.177056130297 0.53377134849 0.259046006507} Si2 3 1 8 {} {0.290262915949 0.521376354612 0.20041493865} O1 4 1 8 {} {0.317607296525 0.508721257587 0.369253332786} O2 5 1 6 {} {0.27572159728 0.395131410978 0.291212657243} C2 6 1 6 {} {0.14550432634 0.4540546577 0.241298397861} C3 7 1 8 {} {0.201556299683 0.559721756329 0.164829299589} O3 8 1 8 {} {0.141693826795 0.594850814384 0.285992987145} O4 9 1 14 {} {0.3691454553 0.537527903104 0.374082147127} Si3 10 1 7 {} {0.403208448503 0.474241414011 0.416685655694} N1 11 1 14 {} {0.455788302614 0.470446516819 0.371564298208} Si4 12 1 14 {} {0.383356584907 0.420282600793 0.499029183929} Si5 13 1 7 {} {0.354385879675 0.458241733452 0.584082354271} N2 14 1 7 {} {0.471147548798 0.555048231995 0.367540879745} N3 15 1 1 {} {0.212141965289 0.496670915755 0.398519273444} H1 16 1 1 {} {0.231594655204 0.576119307943 0.364224719696} H2 17 1 1 {} {0.264742714967 0.541504332834 0.169679789076} H3 18 1 1 {} {0.270565611513 0.372134797695 0.357047129011} H4 19 1 1 {} {0.307438241199 0.376078727724 0.264467527937} H5 20 1 1 {} {0.248943688201 0.378015245947 0.246534149292} H6 21 1 1 {} {0.11898862963 0.460255383605 0.19124769977} H7 22 1 1 {} {0.129979284735 0.436317244849 0.303506203245} H8 23 1 1 {} {0.167919389343 0.414253262036 0.2177006709} H9 24 1 1 {} {0.183046166494 0.582719467291 0.121564056719} H10 25 1 1 {} {0.113317555084 0.582522955742 0.312090690602} H11 26 1 1 {} {0.385393119656 0.557439403289 0.284415811908} H12 27 1 1 {} {0.368035921397 0.596264322921 0.435320308966} H13 28 1 1 {} {0.482151821336 0.421833473406 0.426742532078} H14 29 1 1 {} {0.460450940383 0.454359281565 0.276689052273} H15 30 1 1 {} {0.352007356784 0.371161153668 0.458598733377} H16 31 1 1 {} {0.422998290924 0.386115593041 0.537959556958} H17 32 1 1 {} {0.322759966319 0.47463613872 0.573211047279} H18 33 1 1 {} {0.370352715074 0.488565020056 0.628154637725} H19 34 1 1 {} {0.500388242113 0.566734964601 0.335378004242} H20 35 1 1 {} {0.476062010418 0.576027939682 0.428930524588} H21 36 1 6 {} {0.637356845075 0.6409636245 0.4724463562} C4 37 1 14 {} {0.599417517491 0.577631321826 0.425972824285} Si6 38 1 14 {} {0.634188135567 0.727167019943 0.427757140981} Si7 39 1 8 {} {0.594043421039 0.585086968857 0.316192522073} O5 40 1 8 {} {0.616700990018 0.501858792644 0.448736418178} O6 41 1 6 {} {0.54609515983 0.586212461569 0.482873906623} C5 42 1 6 {} {0.586521321175 0.777617591141 0.472468291236} C6 43 1 8 {} {0.62981919701 0.716323705801 0.317212938122} O7 44 1 8 {} {0.681674159942 0.768631899467 0.443401313215} O8 45 1 14 {} {0.627277822287 0.423950711444 0.42108563037} Si8 46 1 7 {} {0.581981551052 0.371908311608 0.439394540337} N4 47 1 14 {} {0.562473124501 0.322491946581 0.350740321542} Si9 48 1 14 {} {0.55726629761 0.368495773554 0.54567506924} Si10 49 1 7 {} {0.592633132963 0.387295453568 0.632481020708} N5 50 1 7 {} {0.597412349483 0.259952456548 0.313353041605} N6 51 1 1 {} {0.632274654097 0.641954304996 0.545285147171} H22 52 1 1 {} {0.67105816696 0.622053470143 0.46016637842} H23 53 1 1 {} {0.606785460326 0.627115143684 0.293482944252} H24 54 1 1 {} {0.5416584895 0.573729654631 0.553068223621} H25 55 1 1 {} {0.530003553386 0.54307397228 0.452067431802} H26 56 1 1 {} {0.527198633328 0.631455727377 0.464625773773} H27 57 1 1 {} {0.585753667514 0.828073654957 0.443065675066} H28 58 1 1 {} {0.588557950131 0.783152697284 0.545419650982} H29 59 1 1 {} {0.554431616465 0.753506156523 0.457311850694} H30 60 1 1 {} {0.637803312747 0.753802213443 0.279325415565} H31 61 1 1 {} {0.682046500204 0.803622610316 0.488049059215} H32 62 1 1 {} {0.638800439778 0.419030109146 0.324313880373} H33 63 1 1 {} {0.666460036083 0.403743823937 0.475920917853} H34 64 1 1 {} {0.520639004169 0.290656313209 0.383567185949} H35 65 1 1 {} {0.554212166299 0.365552971901 0.271238620552} H36 66 1 1 {} {0.520332897039 0.417934128858 0.552867505153} H37 67 1 1 {} {0.540045247277 0.299109919283 0.557506107115} H38 68 1 1 {} {0.59904458148 0.435932363327 0.647710553798} H39 69 1 1 {} {0.619617190239 0.358179146361 0.645967037437} H40 70 1 1 {} {0.622014736215 0.271051496546 0.269137090791} H41 71 1 1 {} {0.606926510912 0.222188477323 0.3545771301} 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