#MD System 2.0 @Title neb0_image05 @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 {} {0.212958209395 0.527289032312 0.322518607598} C1 1 1 14 {} {0.266864490326 0.490284613799 0.280773946176} Si1 2 1 14 {} {0.166264523765 0.535693892025 0.241543417592} Si2 3 1 8 {} {0.279454197928 0.523238268368 0.182907695495} O1 4 1 8 {} {0.306844766669 0.510610703829 0.35169183904} O2 5 1 6 {} {0.264903914925 0.397103826452 0.273727377318} C2 6 1 6 {} {0.134715075938 0.45601359664 0.223824029779} C3 7 1 8 {} {0.190719857086 0.561655747215 0.147262831489} O3 8 1 8 {} {0.130909940556 0.596773511743 0.268573307051} O4 9 1 14 {} {0.358287712002 0.539506049128 0.356815507682} Si3 10 1 7 {} {0.392849051416 0.476482001339 0.39858774747} N1 11 1 14 {} {0.447029401438 0.474583268339 0.356754817702} Si4 12 1 14 {} {0.37265672432 0.42231851114 0.481357040521} Si5 13 1 7 {} {0.34354117832 0.460165811359 0.566723396391} N2 14 1 7 {} {0.467762750525 0.555095140609 0.361031064853} N3 15 1 1 {} {0.20134131694 0.498655223261 0.380979319967} H1 16 1 1 {} {0.220819493787 0.578127470295 0.346670058789} H2 17 1 1 {} {0.253979188064 0.543492775259 0.152134376071} H3 18 1 1 {} {0.259750298646 0.374067831867 0.339523370281} H4 19 1 1 {} {0.296617133307 0.378029156039 0.247003496647} H5 20 1 1 {} {0.238123878592 0.380011617085 0.229034070956} H6 21 1 1 {} {0.108204384321 0.462268948878 0.173767370719} H7 22 1 1 {} {0.119170900186 0.438312865817 0.286021256567} H8 23 1 1 {} {0.157110052378 0.416208116836 0.200200786782} H9 24 1 1 {} {0.172210197402 0.584718359927 0.104065439156} H10 25 1 1 {} {0.102522399166 0.584461163995 0.294624221222} H11 26 1 1 {} {0.374703928636 0.559466523893 0.267028214456} H12 27 1 1 {} {0.357209287595 0.598313234272 0.417862936147} H13 28 1 1 {} {0.471522596629 0.423032988292 0.409881265494} H14 29 1 1 {} {0.449589930226 0.457203414828 0.260196829262} H15 30 1 1 {} {0.341248393257 0.37324050562 0.440956403608} H16 31 1 1 {} {0.412179430961 0.388127583057 0.520429585741} H17 32 1 1 {} {0.311929102636 0.476677885143 0.555662543875} H18 33 1 1 {} {0.359552655301 0.490611554549 0.610631265372} H19 34 1 1 {} {0.492136517433 0.569357047916 0.31752373017} H20 35 1 1 {} {0.4734838185 0.577046423489 0.421149978099} H21 36 1 6 {} {0.64748860807 0.638728221112 0.490053085865} C4 37 1 14 {} {0.608254887557 0.574929267473 0.442605368013} Si6 38 1 14 {} {0.644908010602 0.725246029969 0.445189571564} Si7 39 1 8 {} {0.605151880096 0.583151797063 0.333011991668} O5 40 1 8 {} {0.627520345946 0.499998854017 0.466474143806} O6 41 1 6 {} {0.551751047148 0.581351039898 0.49330483964} C5 42 1 6 {} {0.59733104609 0.775680032532 0.490001527553} C6 43 1 8 {} {0.640566574868 0.714439110382 0.334770625915} O7 44 1 8 {} {0.692542215019 0.766597136157 0.460857264696} O8 45 1 14 {} {0.638127959187 0.422125106914 0.438693114392} Si8 46 1 7 {} {0.5927635027 0.369819216764 0.45647825798} N4 47 1 14 {} {0.573225604487 0.320757470905 0.368317977657} Si9 48 1 14 {} {0.568076047032 0.366614872776 0.563377351084} Si10 49 1 7 {} {0.603237786122 0.385329224573 0.649703835852} N5 50 1 7 {} {0.608163537139 0.25786357161 0.330728515651} N6 51 1 1 {} {0.643154568096 0.64007145796 0.563071057476} H22 52 1 1 {} {0.681488526097 0.619926099974 0.477634345759} H23 53 1 1 {} {0.617720179971 0.625233720387 0.310819112453} H24 54 1 1 {} {0.55132401934 0.57130409053 0.565389110387} H25 55 1 1 {} {0.5307859896 0.543227628861 0.461397375207} H26 56 1 1 {} {0.536617954616 0.630642284038 0.480965570588} H27 57 1 1 {} {0.59655455954 0.82609767595 0.460561530631} H28 58 1 1 {} {0.599368003603 0.781204118829 0.562948485747} H29 59 1 1 {} {0.565260370119 0.751551015145 0.474808056062} H30 60 1 1 {} {0.648624757457 0.751802453411 0.29679345102} H31 61 1 1 {} {0.692872925593 0.801630958667 0.50553648163} H32 62 1 1 {} {0.649603906676 0.417085323955 0.341839270316} H33 63 1 1 {} {0.677255680462 0.401815275401 0.493404652821} H34 64 1 1 {} {0.531447939491 0.288757555385 0.40109798371} H35 65 1 1 {} {0.565032363114 0.363517395666 0.288794910526} H36 66 1 1 {} {0.530800158926 0.416036375457 0.569703294436} H37 67 1 1 {} {0.550881064242 0.297084893699 0.574968921757} H38 68 1 1 {} {0.609829668019 0.433883332253 0.665118176974} H39 69 1 1 {} {0.630296517391 0.356292606476 0.663335692765} H40 70 1 1 {} {0.632789790834 0.26908984409 0.286582035131} H41 71 1 1 {} {0.617693157823 0.220173225455 0.372032020691} 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