#MD System 2.0 @Title neb0_image07 @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 {} {0.218205918721 0.526325918154 0.331134171845} C1 1 1 14 {} {0.27216508409 0.48936018496 0.289389204056} Si1 2 1 14 {} {0.171544750235 0.53481792538 0.250109336154} Si2 3 1 8 {} {0.284752779399 0.522342542247 0.191528304284} O1 4 1 8 {} {0.312186664066 0.509710134603 0.360236927842} O2 5 1 6 {} {0.270218119955 0.39617004646 0.282288301564} C2 6 1 6 {} {0.140012942278 0.455082075579 0.232411829524} C3 7 1 8 {} {0.196056162355 0.560712443897 0.155905943441} O3 8 1 8 {} {0.136214274536 0.595828177235 0.277121083182} O4 9 1 14 {} {0.363667176882 0.538465852825 0.365313410251} Si3 10 1 7 {} {0.398160835813 0.47550176639 0.407215582307} N1 11 1 14 {} {0.451391570156 0.472738793864 0.364325905082} Si4 12 1 14 {} {0.377876909121 0.421510219309 0.49018720631} Si5 13 1 7 {} {0.348825559601 0.45918855159 0.575288978676} N2 14 1 7 {} {0.470744528673 0.55448328464 0.366333077121} N3 15 1 1 {} {0.206641211413 0.497680180835 0.389597389552} H1 16 1 1 {} {0.226102510141 0.577126179159 0.355294452951} H2 17 1 1 {} {0.2592464347 0.542523901296 0.160745431137} H3 18 1 1 {} {0.26506168155 0.373142842841 0.348089937952} H4 19 1 1 {} {0.301929497278 0.377079287019 0.25556071853} H5 20 1 1 {} {0.243440729015 0.379030600589 0.237621805349} H6 21 1 1 {} {0.11349483322 0.461274906587 0.18234414546} H7 22 1 1 {} {0.124468733912 0.437330748823 0.294603630752} H8 23 1 1 {} {0.162420900584 0.415270535441 0.208791871553} H9 24 1 1 {} {0.177532429401 0.583734345155 0.112634173479} H10 25 1 1 {} {0.107812404123 0.583535115474 0.303170321372} H11 26 1 1 {} {0.380001730377 0.558498799684 0.275584389412} H12 27 1 1 {} {0.362526621965 0.597290890697 0.426368256818} H13 28 1 1 {} {0.476864705197 0.42230208673 0.418426412774} H14 29 1 1 {} {0.454994888712 0.456316393479 0.268943403089} H15 30 1 1 {} {0.346555285119 0.37227328471 0.449507947216} H16 31 1 1 {} {0.417477205426 0.3871680654 0.528961365503} H17 32 1 1 {} {0.317298029375 0.475671447721 0.564247626345} H18 33 1 1 {} {0.364833199493 0.489552464915 0.619112711536} H19 34 1 1 {} {0.496837012209 0.568380965694 0.326802632676} H20 35 1 1 {} {0.476475733905 0.576315234428 0.426185063539} H21 36 1 6 {} {0.642192595052 0.639605173032 0.481407597996} C4 37 1 14 {} {0.603319993857 0.576002991375 0.434462453239} Si6 38 1 14 {} {0.639631990819 0.726141102936 0.436721624074} Si7 39 1 8 {} {0.599728054325 0.584054392332 0.324304307777} O5 40 1 8 {} {0.622200986522 0.500971399562 0.457854844911} O6 41 1 6 {} {0.548223134358 0.58317488037 0.486767733695} C5 42 1 6 {} {0.592028669238 0.776630553099 0.481433842334} C6 43 1 8 {} {0.635246038854 0.715363351027 0.326155672926} O7 44 1 8 {} {0.687161880018 0.767572623096 0.452349554244} O8 45 1 14 {} {0.63270159936 0.422988408584 0.430115176115} Si8 46 1 7 {} {0.587486990036 0.370928604788 0.448283364569} N4 47 1 14 {} {0.568086620045 0.321336225397 0.359685606332} Si9 48 1 14 {} {0.56260769024 0.367594565055 0.554160226423} Si10 49 1 7 {} {0.59796490948 0.386268445644 0.641170126477} N5 50 1 7 {} {0.602913070556 0.258804466489 0.322122840916} N6 51 1 1 {} {0.637813749698 0.641024702906 0.554449430051} H22 52 1 1 {} {0.676152191416 0.620848061956 0.469073550945} H23 53 1 1 {} {0.612446499039 0.62627690341 0.302223308287} H24 54 1 1 {} {0.546267704788 0.572253492018 0.557935757045} H25 55 1 1 {} {0.52868819749 0.543787201179 0.455614264302} H26 56 1 1 {} {0.531658766901 0.631184360969 0.472569701666} H27 57 1 1 {} {0.591254660955 0.827051915314 0.451996682357} H28 58 1 1 {} {0.594063566863 0.782155915633 0.554378566534} H29 59 1 1 {} {0.559942192485 0.752507478639 0.466222225049} H30 60 1 1 {} {0.643312432826 0.752780849854 0.28825570692} H31 61 1 1 {} {0.687562798068 0.802578227268 0.496940191274} H32 62 1 1 {} {0.644313208531 0.418061124283 0.333261949598} H33 63 1 1 {} {0.671970315942 0.402788782146 0.484844539527} H34 64 1 1 {} {0.526163375745 0.289744696376 0.392521780195} H35 65 1 1 {} {0.559720045249 0.364544935556 0.28018172986} H36 66 1 1 {} {0.525637249537 0.416985001065 0.561348662319} H37 67 1 1 {} {0.545573830473 0.298071243621 0.56649984648} H38 68 1 1 {} {0.60457407933 0.435030099082 0.656687257454} H39 69 1 1 {} {0.625159969037 0.357122618306 0.654874346372} H40 70 1 1 {} {0.627469331906 0.270055762956 0.278130021013} H41 71 1 1 {} {0.612400414131 0.221276191482 0.363420692553} 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