#MD System 2.0 @Title neb0_image02 @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 {} {0.205085482944 0.528735998803 0.309826235667} C1 1 1 14 {} {0.259023378751 0.491741720493 0.268059275546} Si1 2 1 14 {} {0.158371982402 0.537203956202 0.22887170129} Si2 3 1 8 {} {0.271621049389 0.524820863792 0.170241793398} O1 4 1 8 {} {0.299019938434 0.511979048759 0.338964380065} O2 5 1 6 {} {0.257052113898 0.398557813119 0.261036005126} C2 6 1 6 {} {0.12684613897 0.457478021838 0.211105386743} C3 7 1 8 {} {0.182860535389 0.562964026821 0.134541487598} O3 8 1 8 {} {0.123049294337 0.598372438409 0.255816477042} O4 9 1 14 {} {0.350501019234 0.540922386683 0.344105761703} Si3 10 1 7 {} {0.385244471574 0.478035927558 0.385744020132} N1 11 1 14 {} {0.439656258108 0.476426472723 0.344808788953} Si4 12 1 14 {} {0.364876933897 0.423836593527 0.468519329489} Si5 13 1 7 {} {0.33571165334 0.461587756067 0.553934800657} N2 14 1 7 {} {0.461632975859 0.556132571458 0.350958661935} N3 15 1 1 {} {0.193481663181 0.500109244532 0.368307574487} H1 16 1 1 {} {0.212943764678 0.579571462342 0.333986225706} H2 17 1 1 {} {0.246108091466 0.544942006857 0.139457722191} H3 18 1 1 {} {0.25189573439 0.375538542699 0.326852806283} H4 19 1 1 {} {0.288769540864 0.379523305857 0.234270628661} H5 20 1 1 {} {0.230281822198 0.381468444274 0.216321557309} H6 21 1 1 {} {0.100338560038 0.463691276114 0.161036368144} H7 22 1 1 {} {0.111305663187 0.43974231627 0.273285315285} H8 23 1 1 {} {0.14926113386 0.417682136217 0.187486083894} H9 24 1 1 {} {0.164382952392 0.58613402939 0.0913702682948} H10 25 1 1 {} {0.0946688925525 0.585975788127 0.281874189038} H11 26 1 1 {} {0.366888695562 0.560932155557 0.254216966599} H12 27 1 1 {} {0.34935655343 0.599797790325 0.40516770298} H13 28 1 1 {} {0.463667968367 0.424023686864 0.397406001166} H14 29 1 1 {} {0.441769761194 0.459092537361 0.248016096776} H15 30 1 1 {} {0.333406292391 0.374686054847 0.428247806841} H16 31 1 1 {} {0.404339999921 0.389557402871 0.507801347342} H17 32 1 1 {} {0.304096289301 0.478082042919 0.542940819751} H18 33 1 1 {} {0.351701751846 0.492034027324 0.597907585103} H19 34 1 1 {} {0.484521186097 0.571095083065 0.305023812335} H20 35 1 1 {} {0.467425004554 0.578350846177 0.410866788077} H21 36 1 6 {} {0.655110046256 0.637114203424 0.502814304595} C4 37 1 14 {} {0.615618281514 0.573273423437 0.454967146955} Si6 38 1 14 {} {0.652720234638 0.72375709416 0.457973830012} Si7 39 1 8 {} {0.613264569166 0.581576464504 0.345330059254} O5 40 1 8 {} {0.635354240207 0.498540108102 0.479211781706} O6 41 1 6 {} {0.558543079515 0.5794119904 0.504126728842} C5 42 1 6 {} {0.605161180055 0.774232170938 0.502732888275} C6 43 1 8 {} {0.648419731527 0.713005763691 0.347513006003} O7 44 1 8 {} {0.700345656368 0.765161232191 0.473583377076} O8 45 1 14 {} {0.645957503552 0.420674913189 0.451325486906} Si8 46 1 7 {} {0.600625468487 0.3684501869 0.469385227136} N4 47 1 14 {} {0.581065191412 0.319263721495 0.380879843026} Si9 48 1 14 {} {0.575916061219 0.365118096598 0.575865367955} Si10 49 1 7 {} {0.611174591848 0.38393532947 0.662728761485} N5 50 1 7 {} {0.616027454913 0.256524653799 0.343530908767} N6 51 1 1 {} {0.650985528538 0.638646867598 0.575896699303} H22 52 1 1 {} {0.689185227781 0.618372032101 0.490357598473} H23 53 1 1 {} {0.625626305502 0.623894917138 0.32346162374} H24 54 1 1 {} {0.558653719161 0.569499542463 0.57628118429} H25 55 1 1 {} {0.536521086538 0.542418843067 0.472302321108} H26 56 1 1 {} {0.544084518242 0.629355395942 0.493175541446} H27 57 1 1 {} {0.604406887945 0.824649807848 0.473304469355} H28 58 1 1 {} {0.607208757844 0.779761995972 0.575672862235} H29 59 1 1 {} {0.57309706827 0.750074167182 0.487526631829} H30 60 1 1 {} {0.65647546488 0.750377888684 0.309551980902} H31 61 1 1 {} {0.700701474714 0.800175519354 0.518255617386} H32 62 1 1 {} {0.65745735729 0.41559553946 0.35457643775} H33 63 1 1 {} {0.685114235414 0.400290145816 0.506137141085} H34 64 1 1 {} {0.539288823368 0.287321707093 0.41378683095} H35 65 1 1 {} {0.572883241567 0.362124275689 0.301371362498} H36 66 1 1 {} {0.53871014354 0.414502979693 0.582209221049} H37 67 1 1 {} {0.558748612804 0.295685120211 0.587664532299} H38 68 1 1 {} {0.617680952814 0.432479719977 0.677807669316} H39 69 1 1 {} {0.638132875864 0.354843422756 0.676014009304} H40 70 1 1 {} {0.640664830803 0.267625056722 0.299306806813} H41 71 1 1 {} {0.625582906262 0.218742867264 0.384801093496} 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