#MD System 2.0 @Title neb0_image03 @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 {} {0.361945817643 0.556244400569 0.413247336239} C1 1 1 14 {} {0.338629543597 0.529659779157 0.523900499574} Si1 2 1 14 {} {0.423591758644 0.56704924372 0.408807704417} Si2 3 1 8 {} {0.351738131078 0.586375588152 0.599958287956} O1 4 1 8 {} {0.283614907672 0.527945453247 0.516936773333} O2 5 1 6 {} {0.357514639017 0.444410195806 0.558639408515} C2 6 1 6 {} {0.454711972458 0.486674802156 0.394225425763} C3 7 1 8 {} {0.436452653035 0.602062554786 0.50777379457} O3 8 1 8 {} {0.436427641388 0.6186783716 0.32576737339} O4 9 1 14 {} {0.233217034536 0.532417887443 0.558223409622} Si3 10 1 7 {} {0.213534565711 0.454274667306 0.592401895719} N1 11 1 14 {} {0.191071513776 0.44599652742 0.69986897986} Si4 12 1 14 {} {0.214089153685 0.386601722494 0.517297934444} Si5 13 1 7 {} {0.208013324102 0.407898696402 0.406916379284} N2 14 1 7 {} {0.140638801887 0.485063469564 0.719966593759} N3 15 1 1 {} {0.351903214454 0.520506937444 0.36094541026} H1 16 1 1 {} {0.346308181253 0.604584937805 0.396245895501} H2 17 1 1 {} {0.381610415344 0.604761385805 0.590344662104} H3 18 1 1 {} {0.348821282291 0.405811861239 0.509321600476} H4 19 1 1 {} {0.341805775992 0.430589306269 0.622348002648} H5 20 1 1 {} {0.393854929601 0.443177392854 0.56862285567} H6 21 1 1 {} {0.490757977343 0.49640854318 0.391104243379} H7 22 1 1 {} {0.44513840458 0.46242593706 0.331182648961} H8 23 1 1 {} {0.448541576961 0.451153318648 0.448802257779} H9 24 1 1 {} {0.467254947411 0.616434135119 0.513918703954} H10 25 1 1 {} {0.468449667088 0.620567081629 0.314501570565} H11 26 1 1 {} {0.231486236923 0.576602476395 0.638487063896} H12 27 1 1 {} {0.204321608583 0.560529062366 0.486583153792} H13 28 1 1 {} {0.184368207537 0.372913304964 0.714123476169} H14 29 1 1 {} {0.222621073538 0.475192275211 0.765873218334} H15 30 1 1 {} {0.25736875548 0.350060018837 0.523140578666} H16 31 1 1 {} {0.17650159625 0.341958995722 0.543908243792} H17 32 1 1 {} {0.235006074404 0.422450132312 0.370834165619} H18 33 1 1 {} {0.179993449979 0.431198555376 0.38470520817} H19 34 1 1 {} {0.139862594335 0.534658543917 0.735004626425} H20 35 1 1 {} {0.112602074845 0.471278359356 0.686453603858} H21 36 1 6 {} {0.628938815088 0.636432771 0.349717638264} C4 37 1 14 {} {0.585927646341 0.573898450645 0.387129325881} Si6 38 1 14 {} {0.623283119632 0.724896793025 0.386223627133} Si7 39 1 8 {} {0.53576424603 0.609979514228 0.381691080958} O5 40 1 8 {} {0.586576756132 0.50943087635 0.320008664639} O6 41 1 6 {} {0.596846319328 0.541962374932 0.502049285234} C5 42 1 6 {} {0.641424477011 0.741932873575 0.503431138356} C6 43 1 8 {} {0.568418647686 0.739711177303 0.374705141105} O7 44 1 8 {} {0.651111590428 0.774195840342 0.316383742579} O8 45 1 14 {} {0.580196305256 0.448975462873 0.24710785803} Si8 46 1 7 {} {0.592716127524 0.370931994146 0.290067937142} N4 47 1 14 {} {0.549096950492 0.31463189626 0.313606022434} Si9 48 1 14 {} {0.647279857712 0.345589291871 0.315338456294} Si10 49 1 7 {} {0.688338348863 0.391765793056 0.264219856056} N5 50 1 7 {} {0.52514826647 0.271503534266 0.226701550339} N6 51 1 1 {} {0.662328440494 0.618062671733 0.368482621951} H22 52 1 1 {} {0.628165530519 0.637192181062 0.276057899844} H23 53 1 1 {} {0.538186650499 0.659036513628 0.376954542162} H24 54 1 1 {} {0.628962804703 0.51540274806 0.504764118717} H25 55 1 1 {} {0.570735885081 0.506433882419 0.522354004521} H26 56 1 1 {} {0.597765924346 0.58249386027 0.551626208648} H27 57 1 1 {} {0.636172757643 0.794707586223 0.521608466804} H28 58 1 1 {} {0.677016481172 0.730529534469 0.512800017841} H29 59 1 1 {} {0.622445409954 0.711380889085 0.551187404772} H30 60 1 1 {} {0.557970110455 0.785562199868 0.371823371084} H31 61 1 1 {} {0.668959210634 0.809953787316 0.341460546378} H32 62 1 1 {} {0.532549720274 0.447091012688 0.218366286892} H33 63 1 1 {} {0.609417203467 0.465099978547 0.169627764986} H34 64 1 1 {} {0.569049727506 0.263887984978 0.374783734117} H35 65 1 1 {} {0.512303197037 0.352603545284 0.35686661857} H36 66 1 1 {} {0.656548447342 0.351692730424 0.412889153117} H37 67 1 1 {} {0.651064704587 0.27416225672 0.287255078501} H38 68 1 1 {} {0.701566466398 0.432591187834 0.294549887587} H39 69 1 1 {} {0.691279868889 0.394748787751 0.196866937441} H40 70 1 1 {} {0.50299829885 0.29478536894 0.185724385872} H41 71 1 1 {} {0.542598514431 0.236062982368 0.192738272673} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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