#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 {} {0.35663512028 0.540564063154 0.422725996661} C1 1 1 14 {} {0.337586441865 0.507512157171 0.533769416399} Si1 2 1 14 {} {0.411684716631 0.5831097356 0.418376439298} Si2 3 1 8 {} {0.340878327284 0.567784177288 0.609004175101} O1 4 1 8 {} {0.284682491828 0.485599357655 0.525799948857} O2 5 1 6 {} {0.369267096851 0.431561007929 0.56916119947} C2 6 1 6 {} {0.460699309079 0.525787599695 0.412068820094} C3 7 1 8 {} {0.413473206105 0.627116303578 0.513752264749} O3 8 1 8 {} {0.412093934147 0.633855680921 0.330468457658} O4 9 1 14 {} {0.232321255151 0.491144158967 0.556417157293} Si3 10 1 7 {} {0.212735881409 0.412419899036 0.587878821746} N1 11 1 14 {} {0.176701853949 0.408114701119 0.6797364472} Si4 12 1 14 {} {0.22833523839 0.342427573096 0.523888678036} Si5 13 1 7 {} {0.229531883598 0.354876676555 0.410306278623} N2 14 1 7 {} {0.129189665912 0.45644702634 0.672564037366} N3 15 1 1 {} {0.356238755778 0.500125149925 0.372690187935} H1 16 1 1 {} {0.331674566425 0.577652317341 0.400705103472} H2 17 1 1 {} {0.364660648871 0.599945425154 0.595949462367} H3 18 1 1 {} {0.365940436785 0.390548428703 0.520680625049} H4 19 1 1 {} {0.356598802229 0.413488435545 0.633668433283} H5 20 1 1 {} {0.404980717541 0.442528241685 0.577435417298} H6 21 1 1 {} {0.492649066789 0.552905209471 0.411552240408} H7 22 1 1 {} {0.459307779506 0.494881374254 0.35139517433} H8 23 1 1 {} {0.461479752273 0.491825310276 0.469562773665} H9 24 1 1 {} {0.438747436956 0.656423913501 0.523876419949} H10 25 1 1 {} {0.440568276232 0.642414102683 0.302011603579} H11 26 1 1 {} {0.226591613591 0.536812758317 0.634422463956} H12 27 1 1 {} {0.206844969563 0.517729270767 0.478664664363} H13 28 1 1 {} {0.16382365392 0.336401251982 0.687888332779} H14 29 1 1 {} {0.199756211503 0.432461383437 0.761627805252} H15 30 1 1 {} {0.274259170512 0.320725354859 0.54879090101} H16 31 1 1 {} {0.195203749848 0.289011426798 0.544205613073} H17 32 1 1 {} {0.255990361344 0.378806290339 0.382343409916} H18 33 1 1 {} {0.201057274726 0.3654914043 0.376293247821} H19 34 1 1 {} {0.129007284092 0.504054023956 0.696295658728} H20 35 1 1 {} {0.106527289857 0.450470390818 0.622794384572} H21 36 1 6 {} {0.58531074431 0.34214767454 0.309173811694} C4 37 1 14 {} {0.580690361682 0.375471043702 0.426242315788} Si6 38 1 14 {} {0.56935250262 0.253066205812 0.291243043208} Si7 39 1 8 {} {0.609350897715 0.326535976091 0.494225631413} O5 40 1 8 {} {0.603135270755 0.450730510159 0.431115820915} O6 41 1 6 {} {0.521580980817 0.383598906443 0.463015420436} C5 42 1 6 {} {0.50845694583 0.242427340185 0.267645353607} C6 43 1 8 {} {0.584643510302 0.214424346842 0.385499439417} O7 44 1 8 {} {0.599069382802 0.216052693248 0.211369669182} O8 45 1 14 {} {0.646891868782 0.495482880512 0.459811443093} Si8 46 1 7 {} {0.631364502495 0.576559685592 0.486819581191} N4 47 1 14 {} {0.637863558136 0.604268397861 0.597277411287} Si9 48 1 14 {} {0.60746768774 0.630229822439 0.407855575112} Si10 49 1 7 {} {0.618564495433 0.610993014659 0.298137931499} N5 50 1 7 {} {0.690697546048 0.624093497 0.633655360788} N6 51 1 1 {} {0.565883771424 0.373896138825 0.263215782239} H22 52 1 1 {} {0.620624732921 0.347261660024 0.289565386447} H23 53 1 1 {} {0.607621886835 0.279443018565 0.476698645137} H24 54 1 1 {} {0.502708592716 0.416302049363 0.418056781039} H25 55 1 1 {} {0.520113360542 0.405679591546 0.5302129451} H26 56 1 1 {} {0.50457151607 0.334896461904 0.465352175231} H27 57 1 1 {} {0.499145057382 0.189307652909 0.26301060473} H28 58 1 1 {} {0.49918692158 0.266569447265 0.204272111618} H29 59 1 1 {} {0.488030132858 0.265295462059 0.320410123646} H30 60 1 1 {} {0.587337470251 0.166089571894 0.383250694526} H31 61 1 1 {} {0.58587113934 0.212029041315 0.152655077127} H32 62 1 1 {} {0.668910110179 0.466788706081 0.540442690929} H33 63 1 1 {} {0.678609285671 0.495158380721 0.383119110097} H34 64 1 1 {} {0.610364702373 0.666322866174 0.603822704792} H35 65 1 1 {} {0.62150913135 0.551296200652 0.658874321093} H36 66 1 1 {} {0.557710512572 0.629466566977 0.415474083984} H37 67 1 1 {} {0.624433989923 0.699100678759 0.425885748249} H38 68 1 1 {} {0.602203128583 0.572556883172 0.268163513231} H39 69 1 1 {} {0.650184164899 0.614552957325 0.273942533021} H40 70 1 1 {} {0.71203963244 0.586856469093 0.651410940464} H41 71 1 1 {} {0.707608224555 0.663152932996 0.606390461475} 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