#MD System 2.0 @Title neb0_image01 @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 {} {0.358161619575 0.546644062439 0.413963001451} C1 1 1 14 {} {0.334807919306 0.520123756721 0.524785448675} Si1 2 1 14 {} {0.4198541628 0.557459843582 0.409678310297} Si2 3 1 8 {} {0.347926597952 0.576831603729 0.600688938995} O1 4 1 8 {} {0.27968759413 0.51855564125 0.517640938163} O2 5 1 6 {} {0.353683439927 0.43481399034 0.559454164074} C2 6 1 6 {} {0.451025457424 0.477212145606 0.395067160768} C3 7 1 8 {} {0.432755440579 0.592169968066 0.508694258312} O3 8 1 8 {} {0.432968641628 0.608886816572 0.326753489127} O4 9 1 14 {} {0.229400874226 0.522813385089 0.558925957817} Si3 10 1 7 {} {0.209750375362 0.444712245777 0.593110175086} N1 11 1 14 {} {0.187303820866 0.436451818916 0.700598601982} Si4 12 1 14 {} {0.210296477788 0.377025933778 0.518063301677} Si5 13 1 7 {} {0.204235969125 0.398189969226 0.40761122009} N2 14 1 7 {} {0.136885422366 0.475526759297 0.720749820792} N3 15 1 1 {} {0.348118568272 0.510850492506 0.361723699289} H1 16 1 1 {} {0.3425115979 0.594969653504 0.396999333017} H2 17 1 1 {} {0.377869756519 0.595169455796 0.591190474026} H3 18 1 1 {} {0.344993745447 0.396213851179 0.510071217486} H4 19 1 1 {} {0.337962545388 0.420949384836 0.623160702492} H5 20 1 1 {} {0.390055630096 0.433575376173 0.569434713181} H6 21 1 1 {} {0.487128153299 0.486704137359 0.392030480231} H7 22 1 1 {} {0.441457632425 0.452888662222 0.33209659687} H8 23 1 1 {} {0.444849724404 0.441686594152 0.449600524002} H9 24 1 1 {} {0.463473084094 0.607166867482 0.51490567528} H10 25 1 1 {} {0.464982220557 0.612036843061 0.315378811156} H11 26 1 1 {} {0.227728932869 0.567030947093 0.639193511339} H12 27 1 1 {} {0.200522396037 0.55095185842 0.487274698666} H13 28 1 1 {} {0.180620228337 0.363360312566 0.714868589445} H14 29 1 1 {} {0.218856686622 0.46560126971 0.766637676858} H15 30 1 1 {} {0.253567886996 0.340450508349 0.523888711369} H16 31 1 1 {} {0.172706117103 0.332416040496 0.544705879237} H17 32 1 1 {} {0.231220306947 0.412849394388 0.371611165841} H18 33 1 1 {} {0.176242555391 0.42161402525 0.385506022932} H19 34 1 1 {} {0.136092785101 0.525100654784 0.735770921545} H20 35 1 1 {} {0.108853207505 0.461700943671 0.687315795632} H21 36 1 6 {} {0.632686412388 0.645994919954 0.348976022696} C4 37 1 14 {} {0.58955828999 0.5834470951 0.386320523603} Si6 38 1 14 {} {0.627032783207 0.734467852694 0.385501541838} Si7 39 1 8 {} {0.539234622426 0.618917580093 0.380653629725} O5 40 1 8 {} {0.59038509115 0.519013947043 0.319372954718} O6 41 1 6 {} {0.600617587299 0.551591466951 0.501294197003} C5 42 1 6 {} {0.645220253635 0.751510376413 0.502658316884} C6 43 1 8 {} {0.572205038244 0.749300506636 0.37396943712} O7 44 1 8 {} {0.654814155043 0.783827454287 0.315592605249} O8 45 1 14 {} {0.584036362885 0.458601365204 0.246232674287} Si8 46 1 7 {} {0.596427109764 0.38050177942 0.289191217525} N4 47 1 14 {} {0.553011769577 0.324346857649 0.31288449899} Si9 48 1 14 {} {0.651172172019 0.355239374257 0.314502186492} Si10 49 1 7 {} {0.692126384264 0.401394899917 0.263441972091} N5 50 1 7 {} {0.528973445843 0.281129894747 0.225864389486} N6 51 1 1 {} {0.666077988889 0.627612852726 0.367687040021} H22 52 1 1 {} {0.63191033822 0.646791426633 0.27534141017} H23 53 1 1 {} {0.541344544711 0.667946963744 0.375910630754} H24 54 1 1 {} {0.632725534104 0.52500629514 0.504080967631} H25 55 1 1 {} {0.574501148391 0.516063193857 0.521609315972} H26 56 1 1 {} {0.601502377089 0.59214517115 0.550843800651} H27 57 1 1 {} {0.639961759951 0.804292494873 0.520830223314} H28 58 1 1 {} {0.680817493646 0.740098273595 0.512022412862} H29 59 1 1 {} {0.626223005848 0.720948225551 0.550393496165} H30 60 1 1 {} {0.561801318748 0.795173474295 0.371049426175} H31 61 1 1 {} {0.672740486073 0.819509640181 0.340646369683} H32 62 1 1 {} {0.536330216731 0.456643429421 0.217563975876} H33 63 1 1 {} {0.613184459263 0.474701961303 0.168699181202} H34 64 1 1 {} {0.572828156684 0.273423590697 0.373951397848} H35 65 1 1 {} {0.516091891093 0.362014924184 0.356097862012} H36 66 1 1 {} {0.660328800955 0.361313375116 0.412103251658} H37 67 1 1 {} {0.654880171978 0.28377940909 0.286471793515} H38 68 1 1 {} {0.70537554769 0.442202152485 0.29371040657} H39 69 1 1 {} {0.695080364149 0.404346691385 0.196150312429} H40 70 1 1 {} {0.506741894982 0.304351265972 0.184898733748} H41 71 1 1 {} {0.546415765797 0.24558085185 0.191883509692} 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