#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 {} {0.223673109731 0.525307868266 0.33994661007} C1 1 1 14 {} {0.277651432963 0.488357767684 0.298191793421} Si1 2 1 14 {} {0.176996605799 0.5337841144 0.258956238415} Si2 3 1 8 {} {0.290209843399 0.521401193536 0.200327052305} O1 4 1 8 {} {0.317553531427 0.508714970366 0.369156836373} O2 5 1 6 {} {0.275663107794 0.395139294676 0.291117707082} C2 6 1 6 {} {0.145447391757 0.454066066196 0.241206088905} C3 7 1 8 {} {0.201497426336 0.559718968774 0.164731199532} O3 8 1 8 {} {0.141636139579 0.594871633953 0.285892558259} O4 9 1 14 {} {0.369093409906 0.537529537967 0.374006800447} Si3 10 1 7 {} {0.403219256608 0.474288705277 0.416539920459} N1 11 1 14 {} {0.455959209097 0.470660977068 0.371813497126} Si4 12 1 14 {} {0.383318566137 0.420313405677 0.498887117674} Si5 13 1 7 {} {0.354328324541 0.45825251969 0.583989251293} N2 14 1 7 {} {0.471950573785 0.554852532324 0.36865013407} N3 15 1 1 {} {0.212083046674 0.496681691915 0.398430597252} H1 16 1 1 {} {0.23153385203 0.576128692595 0.36413529974} H2 17 1 1 {} {0.264684157317 0.541514499676 0.169591624425} H3 18 1 1 {} {0.27050725705 0.372149075605 0.356956970648} H4 19 1 1 {} {0.307380616143 0.376094537384 0.264367893452} H5 20 1 1 {} {0.248885253533 0.378024755506 0.246436171414} H6 21 1 1 {} {0.118931263052 0.460263104087 0.191155505185} H7 22 1 1 {} {0.129921865333 0.436325832949 0.303410566892} H8 23 1 1 {} {0.167862153054 0.414265355578 0.217605683424} H9 24 1 1 {} {0.182990906345 0.58272740246 0.121469343654} H10 25 1 1 {} {0.113260517059 0.582540145437 0.311990398228} H11 26 1 1 {} {0.385349967877 0.557454624986 0.284320652526} H12 27 1 1 {} {0.367973963781 0.596283463353 0.435229828755} H13 28 1 1 {} {0.482112166329 0.421719209601 0.426750627049} H14 29 1 1 {} {0.460399771547 0.454532724224 0.27678270535} H15 30 1 1 {} {0.3519513669 0.371181596376 0.458490401621} H16 31 1 1 {} {0.422936953119 0.386129561469 0.53787360524} H17 32 1 1 {} {0.322703704064 0.474650073592 0.573115517068} H18 33 1 1 {} {0.370298906277 0.488575327395 0.628057282809} H19 34 1 1 {} {0.500571127792 0.566836958068 0.335348190523} H20 35 1 1 {} {0.476960963684 0.57594042788 0.429989665065} H21 36 1 6 {} {0.637310380918 0.640900481633 0.472555942688} C4 37 1 14 {} {0.59923859765 0.577528985893 0.4259111811} Si6 38 1 14 {} {0.634232562253 0.72714549653 0.427857955097} Si7 39 1 8 {} {0.594164891445 0.58506508787 0.316164545787} O5 40 1 8 {} {0.61674649131 0.501848545904 0.448854059762} O6 41 1 6 {} {0.545586217951 0.585928931678 0.482146369206} C5 42 1 6 {} {0.586577199393 0.777609607498 0.472564079282} C6 43 1 8 {} {0.629870972186 0.716326001308 0.317315618273} O7 44 1 8 {} {0.681735829383 0.768609142207 0.443502169302} O8 45 1 14 {} {0.627332904094 0.423967543562 0.421180959002} Si8 46 1 7 {} {0.582035498915 0.37189467864 0.439476432277} N4 47 1 14 {} {0.562522354564 0.322496643706 0.35082882377} Si9 48 1 14 {} {0.557318370809 0.368494967931 0.545758884728} Si10 49 1 7 {} {0.592678309505 0.387288682994 0.632594362532} N5 50 1 7 {} {0.597471448387 0.259946376356 0.313456087479} N6 51 1 1 {} {0.632333113705 0.641956807826 0.545421304876} H22 52 1 1 {} {0.671041696883 0.622002685956 0.460257457502} H23 53 1 1 {} {0.606865575183 0.62712332802 0.293558861598} H24 54 1 1 {} {0.541539956509 0.573612408589 0.552430377686} H25 55 1 1 {} {0.528957197269 0.543340035469 0.451241189269} H26 56 1 1 {} {0.527095529355 0.631555340135 0.464549538652} H27 57 1 1 {} {0.585811379224 0.828064187203 0.443164043515} H28 58 1 1 {} {0.588616759196 0.783141674461 0.545513894275} H29 59 1 1 {} {0.554490759829 0.753490576062 0.457403400757} H30 60 1 1 {} {0.637862106604 0.753792978675 0.279424421522} H31 61 1 1 {} {0.68210506041 0.803605589739 0.488143130962} H32 62 1 1 {} {0.638859522989 0.419017462045 0.324411282963} H33 63 1 1 {} {0.666515518361 0.403728450724 0.476009788063} H34 64 1 1 {} {0.520693334851 0.29064553231 0.383662768592} H35 65 1 1 {} {0.554270620529 0.365541506881 0.271319994298} H36 66 1 1 {} {0.520367111938 0.417927111869 0.552863117371} H37 67 1 1 {} {0.540104336645 0.299107505148 0.557592603527} H38 68 1 1 {} {0.59910346377 0.435923626082 0.647796272471} H39 69 1 1 {} {0.619660520704 0.358174559275 0.646038446648} H40 70 1 1 {} {0.622075238203 0.271040135581 0.269236412249} H41 71 1 1 {} {0.606989311102 0.222181676807 0.354681005037} 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