#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 {} {0.360298496142 0.530694448011 0.423280625847} C1 1 1 14 {} {0.341390167219 0.497558782938 0.534409781685} Si1 2 1 14 {} {0.414796190787 0.574795145267 0.418370638071} Si2 3 1 8 {} {0.344702298372 0.557854518127 0.609574637474} O1 4 1 8 {} {0.28855815944 0.475609699754 0.526378053915} O2 5 1 6 {} {0.373078181055 0.421584888634 0.569728165277} C2 6 1 6 {} {0.463620654009 0.518442299332 0.41189018674} C3 7 1 8 {} {0.417023779627 0.617659592222 0.514801098061} O3 8 1 8 {} {0.415334996599 0.625065117856 0.329853978083} O4 9 1 14 {} {0.236147886138 0.481137930618 0.556977409477} Si3 10 1 7 {} {0.216550929884 0.402422918879 0.588394835945} N1 11 1 14 {} {0.180534814121 0.398135033466 0.680256788939} Si4 12 1 14 {} {0.232135779441 0.332428831927 0.52440352658} Si5 13 1 7 {} {0.233353056494 0.344879153823 0.410818080995} N2 14 1 7 {} {0.133015051544 0.446476799966 0.673114227354} N3 15 1 1 {} {0.36011108835 0.49025010712 0.373248573672} H1 16 1 1 {} {0.33529666046 0.567611573059 0.401227605344} H2 17 1 1 {} {0.368492341683 0.589995513747 0.596521276403} H3 18 1 1 {} {0.369744789649 0.380570664599 0.521253401264} H4 19 1 1 {} {0.360415156578 0.403489556165 0.634237501876} H5 20 1 1 {} {0.408791156999 0.432527675131 0.578005961148} H6 21 1 1 {} {0.496167828518 0.54374321097 0.412219555753} H7 22 1 1 {} {0.46214570319 0.486508770901 0.35209121179} H8 23 1 1 {} {0.463201245488 0.485595603418 0.470226337175} H9 24 1 1 {} {0.442577511786 0.646542120015 0.524419963349} H10 25 1 1 {} {0.444308968737 0.632541478374 0.302765006481} H11 26 1 1 {} {0.230414919284 0.526813894382 0.634959897313} H12 27 1 1 {} {0.210682629982 0.507731946676 0.47924948383} H13 28 1 1 {} {0.167644507432 0.32644807124 0.68844446753} H14 29 1 1 {} {0.203573562916 0.42250242142 0.762152364702} H15 30 1 1 {} {0.278062126523 0.31075123321 0.549324736049} H16 31 1 1 {} {0.199010046939 0.279027707542 0.544757885715} H17 32 1 1 {} {0.25980896485 0.368839546788 0.382881489474} H18 33 1 1 {} {0.204869969521 0.355526395199 0.376833719941} H19 34 1 1 {} {0.132827970101 0.494094988189 0.696843435453} H20 35 1 1 {} {0.110339957441 0.440507996391 0.623356062288} H21 36 1 6 {} {0.581605781002 0.352063594584 0.308498456327} C4 37 1 14 {} {0.577756006816 0.384511630666 0.426008147111} Si6 38 1 14 {} {0.565521905693 0.263017531066 0.290631977582} Si7 39 1 8 {} {0.606641816805 0.336074776898 0.493952951605} O5 40 1 8 {} {0.599244747319 0.460621291148 0.430537231514} O6 41 1 6 {} {0.518964666942 0.390475758618 0.463583402704} C5 42 1 6 {} {0.504643348313 0.252439311226 0.267065551342} C6 43 1 8 {} {0.58068351577 0.224391384564 0.384946747154} O7 44 1 8 {} {0.595209157657 0.226001755996 0.210766438298} O8 45 1 14 {} {0.642978451195 0.505369668347 0.459255838417} Si8 46 1 7 {} {0.627483736854 0.586465163806 0.486313289358} N4 47 1 14 {} {0.63403973204 0.614254034034 0.596814330142} Si9 48 1 14 {} {0.603647676772 0.640217317948 0.40734880702} Si10 49 1 7 {} {0.614801287524 0.62084837125 0.297671595655} N5 50 1 7 {} {0.686840614775 0.634130074554 0.63323920894} N6 51 1 1 {} {0.562102063929 0.383892935093 0.262743936228} H22 52 1 1 {} {0.616850385917 0.357236351322 0.288852828444} H23 53 1 1 {} {0.603933794202 0.289095754077 0.476306739352} H24 54 1 1 {} {0.501190751746 0.421968161083 0.416279216184} H25 55 1 1 {} {0.516672661986 0.41490878748 0.52965009111} H26 56 1 1 {} {0.501159186257 0.342427484557 0.465866004107} H27 57 1 1 {} {0.495350764674 0.199298631567 0.262466203705} H28 58 1 1 {} {0.495355796941 0.276542298253 0.203692949514} H29 59 1 1 {} {0.48422802821 0.275248489505 0.319885070658} H30 60 1 1 {} {0.583534627502 0.176082444425 0.382694443724} H31 61 1 1 {} {0.582034986007 0.222001045741 0.152015997255} H32 62 1 1 {} {0.665082617932 0.476761218843 0.539858155784} H33 63 1 1 {} {0.674769584099 0.505129376406 0.38255818142} H34 64 1 1 {} {0.606537384204 0.676294091645 0.603190635078} H35 65 1 1 {} {0.617686156652 0.561294611219 0.658200559633} H36 66 1 1 {} {0.553844110843 0.639428446319 0.414865234264} H37 67 1 1 {} {0.620597993069 0.709112549 0.425285192017} H38 68 1 1 {} {0.59840450501 0.58261356866 0.267600800483} H39 69 1 1 {} {0.646301209934 0.624540222481 0.273461861745} H40 70 1 1 {} {0.708261997782 0.596787381786 0.650877444833} H41 71 1 1 {} {0.703843381768 0.67321514335 0.605828830906} 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