#MD System 2.0 @Title neb0_image01 @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 {} {0.202678080864 0.529321847346 0.305230791447} C1 1 1 14 {} {0.256388350138 0.491718295021 0.263411668617} Si1 2 1 14 {} {0.15591915581 0.53754364882 0.224484755559} Si2 3 1 8 {} {0.268761369155 0.524037749517 0.165031222847} O1 4 1 8 {} {0.296805657253 0.511722096276 0.333757535056} O2 5 1 6 {} {0.25431889916 0.398567345961 0.257090140802} C2 6 1 6 {} {0.124153791993 0.458075217751 0.206967808653} C3 7 1 8 {} {0.180162679168 0.562978886845 0.129916719251} O3 8 1 8 {} {0.120882860677 0.598456314923 0.252849955287} O4 9 1 14 {} {0.348066250499 0.541472676657 0.339730279792} Si3 10 1 7 {} {0.382945393418 0.478823421021 0.382005864408} N1 11 1 14 {} {0.437343279838 0.476760410608 0.34099887942} Si4 12 1 14 {} {0.362420836008 0.424192807179 0.46437625742} Si5 13 1 7 {} {0.332843121534 0.461608990879 0.549565205984} N2 14 1 7 {} {0.459465850027 0.556317588367 0.347823321273} N3 15 1 1 {} {0.190878417903 0.500885231108 0.363639526458} H1 16 1 1 {} {0.210595657582 0.580242084116 0.328955242044} H2 17 1 1 {} {0.243521810964 0.545529177625 0.134591809383} H3 18 1 1 {} {0.249121287514 0.375373619246 0.32275116182} H4 19 1 1 {} {0.286022414238 0.379407792788 0.230435841094} H5 20 1 1 {} {0.227516824784 0.38185687146 0.212295394028} H6 21 1 1 {} {0.0976817821066 0.464625018227 0.156856962678} H7 22 1 1 {} {0.108480094686 0.440668967069 0.269203978742} H8 23 1 1 {} {0.146326188408 0.417931914248 0.18340787378} H9 24 1 1 {} {0.161608988658 0.586835838389 0.0873024849285} H10 25 1 1 {} {0.0921170273948 0.585743499845 0.278141518743} H11 26 1 1 {} {0.364536515026 0.561726304034 0.250415401243} H12 27 1 1 {} {0.346625438272 0.600001710023 0.400776438473} H13 28 1 1 {} {0.460962787596 0.423845833194 0.392877868674} H14 29 1 1 {} {0.43913930355 0.459491790665 0.244273047574} H15 30 1 1 {} {0.331054342396 0.37522117852 0.42352681312} H16 31 1 1 {} {0.401916449139 0.389843607714 0.503241682781} H17 32 1 1 {} {0.301339657625 0.477961877016 0.538163170139} H18 33 1 1 {} {0.348707199868 0.492678487967 0.593388569073} H19 34 1 1 {} {0.482272869434 0.571461998631 0.300895352316} H20 35 1 1 {} {0.465441521732 0.578776715156 0.40673273582} H21 36 1 6 {} {0.657705478134 0.637244259384 0.50701444352} C4 37 1 14 {} {0.618262231991 0.573022522478 0.459803508247} Si6 38 1 14 {} {0.65542636923 0.723721938599 0.46174994469} Si7 39 1 8 {} {0.616138518975 0.581009083273 0.349919591278} O5 40 1 8 {} {0.638587457108 0.498510996367 0.484323892692} O6 41 1 6 {} {0.56096743596 0.578787215829 0.508868973474} C5 42 1 6 {} {0.607657025034 0.774102200026 0.50651466526} C6 43 1 8 {} {0.652479579912 0.712190186303 0.351194529613} O7 44 1 8 {} {0.702590913706 0.766061600685 0.477386715366} O8 45 1 14 {} {0.648710573201 0.420450635126 0.456233507839} Si8 46 1 7 {} {0.603178618074 0.368408127624 0.473884079353} N4 47 1 14 {} {0.583485212315 0.319261052756 0.385330961287} Si9 48 1 14 {} {0.578494494266 0.364248961641 0.579995717113} Si10 49 1 7 {} {0.613462516636 0.383217495997 0.667469660433} N5 50 1 7 {} {0.618314250531 0.256548375787 0.347380238665} N6 51 1 1 {} {0.653841392433 0.638635956434 0.580159118304} H22 52 1 1 {} {0.691831526605 0.618931362603 0.49408984535} H23 53 1 1 {} {0.6282331214 0.623200531432 0.327632432722} H24 54 1 1 {} {0.560631971819 0.569342766036 0.581103971569} H25 55 1 1 {} {0.538921506719 0.541715234276 0.477293388445} H26 56 1 1 {} {0.546306406587 0.628511039827 0.497493261995} H27 57 1 1 {} {0.606844929501 0.824622153895 0.477364245638} H28 58 1 1 {} {0.609915301113 0.779577257751 0.579554061048} H29 59 1 1 {} {0.575436274756 0.750054858763 0.492000958496} H30 60 1 1 {} {0.659551485916 0.750037133749 0.313327217028} H31 61 1 1 {} {0.703101862103 0.800215345445 0.522890906431} H32 62 1 1 {} {0.660115755697 0.415351756482 0.35934643249} H33 63 1 1 {} {0.687889997885 0.399679356513 0.511055760482} H34 64 1 1 {} {0.541684752268 0.287570930137 0.417960403315} H35 65 1 1 {} {0.575375996515 0.361947775139 0.3054455779} H36 66 1 1 {} {0.540860400487 0.412970643664 0.586653180859} H37 67 1 1 {} {0.561734579076 0.294418523288 0.591487243812} H38 68 1 1 {} {0.620009293232 0.432256747105 0.681353956508} H39 69 1 1 {} {0.640652514734 0.354633227739 0.680529038553} H40 70 1 1 {} {0.642628303924 0.267225230971 0.302813813845} H41 71 1 1 {} {0.627627660216 0.217913815836 0.388069664199} 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