#MD System 2.0 @Title neb0_image08 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849365899917 0.307673268786 0.0627873536379} Si1 1 0.0 1 14 {} {0.849940963752 0.385170987867 0.444455262931} Si2 2 0.0 1 14 {} {0.0993085689214 0.307451061856 0.192736761361} Si3 3 0.0 1 14 {} {0.0995171824963 0.383455349752 0.317881214559} Si4 4 0.0 1 14 {} {0.85882450922 0.542001370322 0.438473109581} Si5 5 0.0 1 14 {} {0.105005127211 0.53822746488 0.306653161265} Si6 6 0.0 1 14 {} {0.849751895134 0.458681719079 0.0661012895769} Si7 7 0.0 1 14 {} {0.845585097441 0.229765308376 0.442207330788} Si8 8 0.0 1 14 {} {0.100199846913 0.458815758149 0.193727286624} Si9 9 0.0 1 14 {} {0.095409457845 0.229022230342 0.313742562102} Si10 10 0.0 1 8 {} {0.360852279796 0.594985433263 0.517669769708} O1 11 0.0 1 14 {} {0.351295462832 0.661805634533 0.516658762536} Si11 12 0.0 1 8 {} {0.112346228586 0.589450852146 0.209038665996} O2 13 0.0 1 1 {} {0.011998732254 0.593875116679 0.149526509589} H1 14 0.0 1 8 {} {0.334648448244 0.178212689683 0.540592729691} O3 15 0.0 1 1 {} {0.933548596105 0.175147718931 0.601171373621} H2 16 0.0 1 8 {} {0.0843040295535 0.177304342833 0.215950467094} O4 17 0.0 1 1 {} {0.183295195074 0.173752693008 0.155798409145} H3 18 0.0 1 14 {} {0.849733966279 0.308008547888 0.564972398783} Si12 19 0.0 1 14 {} {0.849800316633 0.384257307731 0.938859693859} Si13 20 0.0 1 14 {} {0.0996672909844 0.309202734068 0.694281257681} Si14 21 0.0 1 14 {} {0.100386725862 0.387763530948 0.812654921166} Si15 22 0.0 1 14 {} {0.851114268515 0.537298857719 0.950897155444} Si16 23 0.0 1 14 {} {0.101874079231 0.542780814769 0.822568282032} Si17 24 0.0 1 14 {} {0.850897569268 0.464122456856 0.561244095552} Si18 25 0.0 1 14 {} {0.845606004998 0.229035294121 0.942619057072} Si19 26 0.0 1 14 {} {0.100563150384 0.466627319794 0.691529780827} Si20 27 0.0 1 14 {} {0.0957819079785 0.230160529899 0.814910074472} Si21 28 0.0 1 8 {} {0.36414182368 0.588964691182 0.0468791964418} O5 29 0.0 1 1 {} {0.263554687008 0.59408061393 0.106278851096} H4 30 0.0 1 8 {} {0.120549864043 0.603723739209 0.778616896364} O6 31 0.0 1 1 {} {0.0914284093224 0.624400850554 0.704583827881} H5 32 0.0 1 8 {} {0.334495371412 0.177518139088 0.0410754257073} O7 33 0.0 1 1 {} {0.933556118789 0.173898654161 0.101052427403} H6 34 0.0 1 8 {} {0.0846354380981 0.179549995031 0.71403433796} O8 35 0.0 1 1 {} {0.184173422933 0.175770876782 0.654247881485} H7 36 0.0 1 14 {} {0.34922298258 0.307712137709 0.0627876122908} Si22 37 0.0 1 14 {} {0.349472790438 0.385894214935 0.444445145399} Si23 38 0.0 1 14 {} {0.599252548847 0.307830245766 0.192659232184} Si24 39 0.0 1 14 {} {0.599940233982 0.383776606071 0.318406679799} Si25 40 0.0 1 14 {} {0.356254973422 0.54212610811 0.434172234551} Si26 41 0.0 1 14 {} {0.608380213382 0.539889162894 0.309014768991} Si27 42 0.0 1 14 {} {0.352279215708 0.458566789237 0.0680099859982} Si28 43 0.0 1 14 {} {0.345400704835 0.229677391063 0.442028452434} Si29 44 0.0 1 14 {} {0.60252057819 0.459824854285 0.196310088002} Si30 45 0.0 1 14 {} {0.595546293783 0.229401413738 0.313872018102} Si31 46 0.0 1 8 {} {0.868996532293 0.591642412213 0.535924892361} O9 47 0.0 1 1 {} {0.945678973886 0.622496717768 0.52497222106} H8 48 0.0 1 8 {} {0.615637999478 0.591022830277 0.211305805082} O10 49 0.0 1 1 {} {0.514161611715 0.594985532599 0.15244583736} H9 50 0.0 1 8 {} {0.834381197332 0.178379146537 0.54092395975} O11 51 0.0 1 1 {} {0.433744509773 0.174709887048 0.600775764706} H10 52 0.0 1 8 {} {0.584685592183 0.177758835702 0.215859849576} O12 53 0.0 1 1 {} {0.68367666825 0.174168627428 0.155717146375} H11 54 0.0 1 14 {} {0.34904127865 0.308228264518 0.564398498588} Si32 55 0.0 1 14 {} {0.350359027054 0.384429557046 0.939583312117} Si33 56 0.0 1 14 {} {0.599167731722 0.308466233674 0.69357429782} Si34 57 0.0 1 14 {} {0.599778327967 0.386500127136 0.812457893496} Si35 58 0.0 1 14 {} {0.351707301291 0.536797009206 0.952842187924} Si36 59 0.0 1 14 {} {0.599724738892 0.540681863243 0.821250363809} Si37 60 0.0 1 14 {} {0.350665147983 0.465192908206 0.560939967008} Si38 61 0.0 1 14 {} {0.345785841898 0.229028970626 0.942743243344} Si39 62 0.0 1 14 {} {0.600493320646 0.464781407364 0.691431293493} Si40 63 0.0 1 14 {} {0.595592207258 0.229751645076 0.814657659663} Si41 64 0.0 1 8 {} {0.861132450977 0.58975338664 0.0444250453714} O13 65 0.0 1 1 {} {0.76198329651 0.59456555758 0.105263710675} H12 66 0.0 1 8 {} {0.596856072367 0.596268001867 0.745650527166} O14 67 0.0 1 14 {} {0.590268965757 0.661709026269 0.747415764611} Si42 68 0.0 1 8 {} {0.834567378851 0.177513816786 0.0409081836985} O15 69 0.0 1 1 {} {0.433508397576 0.1740157028 0.101231441314} H13 70 0.0 1 8 {} {0.5845246872 0.178913069796 0.714443988953} O16 71 0.0 1 1 {} {0.683849554811 0.175401796493 0.654390055994} H14 72 0.0 1 7 {} {0.438325813815 0.688430032271 0.652513130647} N 73 0.0 1 1 {} {0.436081706138 0.752039974347 0.657952785602} H16 74 0.0 1 9 {} {0.785735391597 0.679595487955 0.718304351} F4 75 0.0 1 9 {} {0.275278257769 0.680741925929 0.383790185275} F5 76 0.0 1 9 {} {0.551171580729 0.678841243433 0.886498595153} F3 77 0.0 1 9 {} {0.140975712067 0.663856840992 0.575822887314} F1 78 0.0 1 9 {} {0.43612752283 0.791552471035 0.658723484372} F2 79 0.0 1 9 {} {0.556949453391 0.675551120202 0.466929232434} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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