#MD System 2.0 @Title neb0_image09 @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 {} {0.2250010438 0.524361145701 0.344771522486} C1 1 1 14 {} {0.277714694605 0.486439314289 0.304122448175} Si1 2 1 14 {} {0.178946009295 0.53387082723 0.26385316661} Si2 3 1 8 {} {0.291874972654 0.517702926082 0.206584112888} O1 4 1 8 {} {0.316375224278 0.512549275205 0.37660484355} O2 5 1 6 {} {0.278647260888 0.394541407922 0.297386109556} C2 6 1 6 {} {0.148286510289 0.453523182597 0.245684926131} C3 7 1 8 {} {0.204060983898 0.560763136581 0.170423344741} O3 8 1 8 {} {0.142998747628 0.594403350654 0.291452453445} O4 9 1 14 {} {0.36848594224 0.537885328927 0.38027418052} Si3 10 1 7 {} {0.397387375813 0.465964020194 0.403440485426} N1 11 1 14 {} {0.449100150337 0.47119329177 0.337394474625} Si4 12 1 14 {} {0.38223848254 0.413867482138 0.503189684646} Si5 13 1 7 {} {0.356573662581 0.460265157853 0.588162668703} N2 14 1 7 {} {0.444702783293 0.539590244956 0.322653469169} N3 15 1 1 {} {0.214190194661 0.496123201373 0.403905168962} H1 16 1 1 {} {0.234469747243 0.574888825381 0.367731637254} H2 17 1 1 {} {0.268572501859 0.541160673228 0.17450393414} H3 18 1 1 {} {0.273682217162 0.371188954002 0.362549806898} H4 19 1 1 {} {0.310520967046 0.376237865513 0.270843398871} H5 20 1 1 {} {0.252615776302 0.376449372561 0.252537106839} H6 21 1 1 {} {0.121708614991 0.458973993226 0.195527862774} H7 22 1 1 {} {0.133150948345 0.436221952822 0.308630165925} H8 23 1 1 {} {0.17112738983 0.413736520735 0.222939976662} H9 24 1 1 {} {0.186024935533 0.583002358431 0.126547104166} H10 25 1 1 {} {0.115735505453 0.580866699324 0.319242231903} H11 26 1 1 {} {0.3797401507 0.569584555018 0.275050460038} H12 27 1 1 {} {0.372698037919 0.589261724296 0.437655852338} H13 28 1 1 {} {0.478366754087 0.447577922125 0.392662164986} H14 29 1 1 {} {0.44784271164 0.426920637142 0.270372256617} H15 30 1 1 {} {0.351509717027 0.361321986548 0.473507263977} H16 31 1 1 {} {0.426203271375 0.3870960871 0.538598892845} H17 32 1 1 {} {0.323343712849 0.472909557471 0.578366913968} H18 33 1 1 {} {0.375996364613 0.486353620642 0.632388280608} H19 34 1 1 {} {0.461471217454 0.564777598146 0.305528177941} H20 35 1 1 {} {0.40581830279 0.585730848285 0.337581296796} H21 36 1 6 {} {0.650896632474 0.658444565013 0.470066309038} C4 37 1 14 {} {0.611479406497 0.578961429155 0.446135057436} Si6 38 1 14 {} {0.63474541993 0.737796837196 0.41933709137} Si7 39 1 8 {} {0.589518943637 0.591742102345 0.346740545522} O5 40 1 8 {} {0.627738856183 0.499615442733 0.437215492514} O6 41 1 6 {} {0.565327497175 0.580734119852 0.528401290255} C5 42 1 6 {} {0.58644259679 0.774867074645 0.467227077345} C6 43 1 8 {} {0.631183422142 0.716627500437 0.312023004262} O7 44 1 8 {} {0.678093545153 0.779017007623 0.432991321459} O8 45 1 14 {} {0.628155219759 0.419270480834 0.416648837298} Si8 46 1 7 {} {0.578567579308 0.374648790089 0.434480925382} N4 47 1 14 {} {0.56026659994 0.324698850227 0.347936863637} Si9 48 1 14 {} {0.556362199105 0.369630604782 0.543042562934} Si10 49 1 7 {} {0.592594788357 0.385396170744 0.629017491931} N5 50 1 7 {} {0.593877690457 0.261751054338 0.308911864465} N6 51 1 1 {} {0.645087240633 0.649352398554 0.543172970531} H22 52 1 1 {} {0.685548797557 0.635888957276 0.456555248754} H23 53 1 1 {} {0.596828946223 0.623187106934 0.306225966934} H24 54 1 1 {} {0.568477597808 0.594690308253 0.576973726321} H25 55 1 1 {} {0.565436891856 0.541398522208 0.53031434005} H26 56 1 1 {} {0.543766078166 0.604001208525 0.509604981376} H27 57 1 1 {} {0.585559761572 0.823722628095 0.436572262797} H28 58 1 1 {} {0.586818420541 0.781909554828 0.53932642779} H29 59 1 1 {} {0.555762957432 0.74951204394 0.450350666256} H30 60 1 1 {} {0.634141576367 0.754719971642 0.274158877141} H31 61 1 1 {} {0.68082042786 0.811750454742 0.482097071235} H32 62 1 1 {} {0.636117090572 0.417231387214 0.318574523301} H33 63 1 1 {} {0.665985209088 0.395519213003 0.469569913643} H34 64 1 1 {} {0.51905277826 0.292794931384 0.379890394825} H35 65 1 1 {} {0.550919667832 0.366894152452 0.267440589477} H36 66 1 1 {} {0.519939805644 0.417212046309 0.555685114223} H37 67 1 1 {} {0.53831558654 0.29979547225 0.5515587857} H38 68 1 1 {} {0.59666399468 0.434593854068 0.646333640263} H39 69 1 1 {} {0.619406884318 0.358592890244 0.642276899041} H40 70 1 1 {} {0.618000932355 0.271843309684 0.263209139861} H41 71 1 1 {} {0.602593949367 0.222185623471 0.347072894542} 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