#MD System 2.0 @Title neb0_image04 @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 {} {0.205854907479 0.528425609101 0.317286408734} C1 1 1 14 {} {0.260156080467 0.493521904016 0.271686653147} Si1 2 1 14 {} {0.160153924468 0.537357944418 0.233013612009} Si2 3 1 8 {} {0.277208433981 0.542155216865 0.184427152097} O1 4 1 8 {} {0.302137216831 0.505209778805 0.345826569612} O2 5 1 6 {} {0.259563068302 0.400735261729 0.259770547129} C2 6 1 6 {} {0.128368839225 0.457097416608 0.213574458369} C3 7 1 8 {} {0.185587379669 0.560821840525 0.137631791501} O3 8 1 8 {} {0.123698238076 0.600195689816 0.249454873925} O4 9 1 14 {} {0.353588273849 0.538412212048 0.346961622001} Si3 10 1 7 {} {0.391694700499 0.479835199246 0.393490883276} N1 11 1 14 {} {0.452163062788 0.480547782079 0.374182619563} Si4 12 1 14 {} {0.367402703916 0.423656006706 0.476234705792} Si5 13 1 7 {} {0.339145910272 0.465543565281 0.55578990098} N2 14 1 7 {} {0.49818924495 0.54930951051 0.423101125192} N3 15 1 1 {} {0.194218412361 0.497118675738 0.37406294162} H1 16 1 1 {} {0.212267297553 0.580129562017 0.342568418523} H2 17 1 1 {} {0.247643949513 0.547260323036 0.145409226615} H3 18 1 1 {} {0.25603413319 0.380972648401 0.328018261522} H4 19 1 1 {} {0.29202834919 0.384041485302 0.233818074018} H5 20 1 1 {} {0.232747077242 0.382185372472 0.217934045852} H6 21 1 1 {} {0.101270995953 0.460479623018 0.162547192904} H7 22 1 1 {} {0.113668336736 0.436044164317 0.275439076616} H8 23 1 1 {} {0.153435889377 0.420318717625 0.188434491916} H9 24 1 1 {} {0.169084023418 0.582520558457 0.0942130620033} H10 25 1 1 {} {0.0966795842027 0.594658139243 0.279365871722} H11 26 1 1 {} {0.370044550069 0.558006632092 0.251108932484} H12 27 1 1 {} {0.352637167208 0.59940354671 0.403986780617} H13 28 1 1 {} {0.467877012255 0.404632648707 0.421998976116} H14 29 1 1 {} {0.454096956688 0.491084891803 0.271422161978} H15 30 1 1 {} {0.335919072476 0.378286608002 0.428479727527} H16 31 1 1 {} {0.405920018457 0.390095972759 0.511332704778} H17 32 1 1 {} {0.306909913732 0.479866297839 0.546453498228} H18 33 1 1 {} {0.358125407015 0.489585277778 0.600354976928} H19 34 1 1 {} {0.49642073248 0.589709195895 0.318604697842} H20 35 1 1 {} {0.522079947923 0.565262833972 0.480277575882} H21 36 1 6 {} {0.638768351793 0.632734328737 0.500279007964} C4 37 1 14 {} {0.601437157611 0.567697923673 0.432472536609} Si6 38 1 14 {} {0.647158576748 0.719963697844 0.457354763501} Si7 39 1 8 {} {0.625787148543 0.57464986603 0.316288956584} O5 40 1 8 {} {0.621053542896 0.496073190448 0.472374166673} O6 41 1 6 {} {0.535407518561 0.579079127439 0.452027746151} C5 42 1 6 {} {0.603359422264 0.773257551643 0.504844211691} C6 43 1 8 {} {0.639411141289 0.71380652284 0.348026456941} O7 44 1 8 {} {0.697329556786 0.751810727494 0.474063286035} O8 45 1 14 {} {0.641598307353 0.41835080924 0.443329207862} Si8 46 1 7 {} {0.598485336707 0.365023532673 0.467319841456} N4 47 1 14 {} {0.578789324865 0.316326811345 0.379119484172} Si9 48 1 14 {} {0.574509666453 0.368756292827 0.571101125843} Si10 49 1 7 {} {0.607670977039 0.383463906652 0.656121713667} N5 50 1 7 {} {0.616226981427 0.253626503459 0.344424128995} N6 51 1 1 {} {0.641426535381 0.635444083652 0.575456891966} H22 52 1 1 {} {0.669423594092 0.601912371516 0.483737330767} H23 53 1 1 {} {0.630147515419 0.631361948736 0.316204026484} H24 54 1 1 {} {0.532424533957 0.547285417871 0.51903353154} H25 55 1 1 {} {0.49824893094 0.565642626977 0.407164581857} H26 56 1 1 {} {0.532189117845 0.645294548842 0.466933567007} H27 57 1 1 {} {0.602895010032 0.822432925813 0.472785671139} H28 58 1 1 {} {0.60402064341 0.77744250171 0.579009951195} H29 59 1 1 {} {0.572723068358 0.745847924473 0.485386664014} H30 60 1 1 {} {0.653532310379 0.751096338236 0.312787760544} H31 61 1 1 {} {0.699157318693 0.795980118033 0.513812805755} H32 62 1 1 {} {0.654733975251 0.415031056454 0.349402424525} H33 63 1 1 {} {0.68132528012 0.402306828181 0.497743586773} H34 64 1 1 {} {0.538334368868 0.284844851912 0.411652820783} H35 65 1 1 {} {0.571533193167 0.359279170071 0.300998617158} H36 66 1 1 {} {0.537826061619 0.422225525869 0.571619597017} H37 67 1 1 {} {0.553938548988 0.29909285797 0.585525230426} H38 68 1 1 {} {0.617126364891 0.431000498703 0.6781006173} H39 69 1 1 {} {0.636168994193 0.353776817521 0.671096001936} H40 70 1 1 {} {0.641717317761 0.268820573402 0.302377166778} H41 71 1 1 {} {0.627771710115 0.22207542798 0.391569007992} 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