#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 {} {0.349254830009 0.559874575243 0.421638236751} C1 1 1 14 {} {0.330187467865 0.526835154201 0.532672186826} Si1 2 1 14 {} {0.404447638542 0.602019522524 0.417364387184} Si2 3 1 8 {} {0.333479508753 0.587126407568 0.607920334696} O1 4 1 8 {} {0.277234255855 0.504943857306 0.524721677314} O2 5 1 6 {} {0.361872396283 0.450909234435 0.568089308594} C2 6 1 6 {} {0.453577471318 0.544431614757 0.41118209058} C3 7 1 8 {} {0.406139622703 0.64634864045 0.512505716103} O3 8 1 8 {} {0.40481427584 0.653054316387 0.329702903262} O4 9 1 14 {} {0.224932326926 0.510469669782 0.55534944772} Si3 10 1 7 {} {0.205336831442 0.431756311762 0.586786892577} N1 11 1 14 {} {0.169297763488 0.427490521117 0.678647335469} Si4 12 1 14 {} {0.220938187902 0.361752157545 0.522757940464} Si5 13 1 7 {} {0.222140376017 0.374258125856 0.409229092981} N2 14 1 7 {} {0.121775797166 0.475817667543 0.671496273982} N3 15 1 1 {} {0.348824959938 0.519460301225 0.3715975333} H1 16 1 1 {} {0.324324840336 0.597020039744 0.399634395467} H2 17 1 1 {} {0.357258313455 0.619310838761 0.594880904556} H3 18 1 1 {} {0.358538896915 0.409916637054 0.51959318431} H4 19 1 1 {} {0.349198129188 0.432857514505 0.632588327749} H5 20 1 1 {} {0.397585709808 0.461902950629 0.576369797923} H6 21 1 1 {} {0.485379653891 0.572060971942 0.410389041711} H7 22 1 1 {} {0.452176721823 0.513824210632 0.350213455639} H8 23 1 1 {} {0.454549669279 0.510224315425 0.468613745865} H9 24 1 1 {} {0.431337885323 0.675769307234 0.52282291598} H10 25 1 1 {} {0.433168103411 0.661699757964 0.300842702831} H11 26 1 1 {} {0.219206226173 0.556167447698 0.633336437971} H12 27 1 1 {} {0.199468419066 0.5370806416 0.477619444277} H13 28 1 1 {} {0.156422407028 0.355758600857 0.686787109232} H14 29 1 1 {} {0.192343484643 0.451809115263 0.76053588996} H15 30 1 1 {} {0.266851755252 0.340094809897 0.547719667078} H16 31 1 1 {} {0.187801895661 0.308377098721 0.543130531842} H17 32 1 1 {} {0.248597773485 0.398168266009 0.381268907559} H18 33 1 1 {} {0.193664691838 0.384837416078 0.375224747256} H19 34 1 1 {} {0.121604975971 0.523422705716 0.69523537565} H20 35 1 1 {} {0.0991264348869 0.469833718234 0.621702059832} H21 36 1 6 {} {0.59269981312 0.32276805141 0.310240607156} C4 37 1 14 {} {0.587931489021 0.356340713428 0.42718900836} Si6 38 1 14 {} {0.576731280451 0.233711164034 0.292339773954} Si7 39 1 8 {} {0.616544588778 0.307249153321 0.495277798428} O5 40 1 8 {} {0.610560138965 0.431360565478 0.432228525693} O6 41 1 6 {} {0.528661100914 0.365060549015 0.463838531472} C5 42 1 6 {} {0.515841534908 0.223063750917 0.268717714804} C6 43 1 8 {} {0.592055892303 0.195053353607 0.386588147555} O7 44 1 8 {} {0.606458032968 0.196668124584 0.212463935567} O8 45 1 14 {} {0.654300415885 0.476230819202 0.460871938079} Si8 46 1 7 {} {0.63879906347 0.557236950778 0.48795152278} N4 47 1 14 {} {0.645263564499 0.58490680558 0.59827348941} Si9 48 1 14 {} {0.614797969074 0.610910651195 0.409048036542} Si10 49 1 7 {} {0.62593645293 0.591772528242 0.299246756121} N5 50 1 7 {} {0.698127179862 0.604691290453 0.634610905757} N6 51 1 1 {} {0.573280413546 0.354530663263 0.264292243402} H22 52 1 1 {} {0.62802909752 0.327900656676 0.290651323663} H23 53 1 1 {} {0.615000862614 0.260124385545 0.477747308467} H24 54 1 1 {} {0.509522354417 0.398052183236 0.419276788574} H25 55 1 1 {} {0.527435043269 0.386506323282 0.531378747778} H26 56 1 1 {} {0.511870837763 0.316146882889 0.466193576786} H27 57 1 1 {} {0.506528796726 0.169954891445 0.264070108789} H28 58 1 1 {} {0.506594820873 0.247221049107 0.205353074831} H29 59 1 1 {} {0.495427933601 0.245959406003 0.321460467684} H30 60 1 1 {} {0.594730066805 0.146707317114 0.384337702753} H31 61 1 1 {} {0.593265756144 0.192682716424 0.153725317395} H32 62 1 1 {} {0.676314999886 0.447415614705 0.541552203029} H33 63 1 1 {} {0.686003923598 0.475792676538 0.384245367727} H34 64 1 1 {} {0.61775158456 0.647022582991 0.604981490357} H35 65 1 1 {} {0.628911391295 0.531941641865 0.660055860465} H36 66 1 1 {} {0.565118661652 0.610103805983 0.416588523569} H37 67 1 1 {} {0.631881116702 0.679758164072 0.426991275745} H38 68 1 1 {} {0.609578311065 0.553148741591 0.269235888823} H39 69 1 1 {} {0.657667344379 0.59518790837 0.274954169326} H40 70 1 1 {} {0.719388843463 0.567562654873 0.652448896288} H41 71 1 1 {} {0.714961589745 0.643697130888 0.607489276841} 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