#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 {} {0.358167568023 0.546641647935 0.413961208073} C1 1 1 14 {} {0.334769318355 0.52010863526 0.524767114122} Si1 2 1 14 {} {0.419853070447 0.557453294424 0.409674404386} Si2 3 1 8 {} {0.347931034526 0.57684604117 0.600706004467} O1 4 1 8 {} {0.279721752814 0.518568403593 0.517631679341} O2 5 1 6 {} {0.353691370343 0.434803303454 0.559459929285} C2 6 1 6 {} {0.451027158317 0.477211939331 0.395066356941} C3 7 1 8 {} {0.432761600021 0.592167175374 0.508701847411} O3 8 1 8 {} {0.432979023403 0.608889506065 0.326746829117} O4 9 1 14 {} {0.229384652882 0.522771471721 0.558950169709} Si3 10 1 7 {} {0.209756352844 0.444731770384 0.593107348461} N1 11 1 14 {} {0.187292361997 0.436467621467 0.700576318464} Si4 12 1 14 {} {0.210288974783 0.377048272599 0.518053853096} Si5 13 1 7 {} {0.204236362236 0.398179358294 0.407614264706} N2 14 1 7 {} {0.136887683136 0.475526125434 0.7207558989} N3 15 1 1 {} {0.348117515121 0.510847340272 0.361722714263} H1 16 1 1 {} {0.342509734775 0.594972773962 0.397000032991} H2 17 1 1 {} {0.377870084127 0.59517188138 0.591193823847} H3 18 1 1 {} {0.34499391641 0.396216028376 0.51007322893} H4 19 1 1 {} {0.337962180376 0.420950473126 0.623155715023} H5 20 1 1 {} {0.39005238218 0.43357305974 0.569433237297} H6 21 1 1 {} {0.48712385534 0.486700847172 0.392033985732} H7 22 1 1 {} {0.441458611077 0.452890937326 0.332106007169} H8 23 1 1 {} {0.444850760178 0.441689461306 0.449596326409} H9 24 1 1 {} {0.463470012582 0.607166714065 0.514906975206} H10 25 1 1 {} {0.464978907814 0.612042799275 0.315377601399} H11 26 1 1 {} {0.227731004897 0.56703516866 0.63919485639} H12 27 1 1 {} {0.20052013471 0.550957901821 0.487265031816} H13 28 1 1 {} {0.18062124175 0.363351055671 0.714873194795} H14 29 1 1 {} {0.218859846801 0.465602660753 0.76664765867} H15 30 1 1 {} {0.253573241812 0.340442501534 0.523886528259} H16 31 1 1 {} {0.172706341074 0.332413852909 0.54470649193} H17 32 1 1 {} {0.231218297578 0.412850949916 0.371612490749} H18 33 1 1 {} {0.176246894769 0.421613362482 0.385509946481} H19 34 1 1 {} {0.136093006242 0.525097159506 0.735768109166} H20 35 1 1 {} {0.108857776656 0.461701884398 0.68731825527} H21 36 1 6 {} {0.632685916964 0.645990546357 0.348978023214} C4 37 1 14 {} {0.58956004545 0.583468594137 0.386338762585} Si6 38 1 14 {} {0.62703573828 0.734473086917 0.385501738412} Si7 39 1 8 {} {0.53923153352 0.618905903379 0.380649251456} O5 40 1 8 {} {0.590384562678 0.518985110207 0.319346460378} O6 41 1 6 {} {0.600619284125 0.551589392269 0.501294487084} C5 42 1 6 {} {0.645221305981 0.751508906302 0.502660320744} C6 43 1 8 {} {0.572206359468 0.749300528287 0.373968471576} O7 44 1 8 {} {0.654811706351 0.783826168016 0.315596047392} O8 45 1 14 {} {0.584026888384 0.458635501732 0.246236949956} Si8 46 1 7 {} {0.596458166783 0.380509260183 0.289195050319} N4 47 1 14 {} {0.552994838644 0.324313324566 0.312859010809} Si9 48 1 14 {} {0.651153345409 0.355236221619 0.314527284073} Si10 49 1 7 {} {0.692125768638 0.401395864309 0.263442880864} N5 50 1 7 {} {0.528975563421 0.281127691146 0.225835519162} N6 51 1 1 {} {0.666077964939 0.627613433799 0.367685529169} H22 52 1 1 {} {0.631910130249 0.646791720986 0.275342060687} H23 53 1 1 {} {0.541341218753 0.667951250008 0.375909234047} H24 54 1 1 {} {0.632724779009 0.525006635729 0.504083234753} H25 55 1 1 {} {0.574500163136 0.516064093587 0.52160979797} H26 56 1 1 {} {0.601501281058 0.592146378221 0.550842815225} H27 57 1 1 {} {0.639961338375 0.804293189373 0.520829241257} H28 58 1 1 {} {0.680817118051 0.740098286377 0.512020742132} H29 59 1 1 {} {0.626222024271 0.720947745522 0.5503929622} H30 60 1 1 {} {0.561800939341 0.795174347951 0.371049502103} H31 61 1 1 {} {0.672739640682 0.819508300682 0.340645196937} H32 62 1 1 {} {0.536331593026 0.456641771481 0.217563957322} H33 63 1 1 {} {0.613186763921 0.47469987735 0.16869566076} H34 64 1 1 {} {0.572830135068 0.273422789967 0.373954981136} H35 65 1 1 {} {0.516089010634 0.362020188192 0.356105447744} H36 66 1 1 {} {0.660328611665 0.361314892247 0.412099429297} H37 67 1 1 {} {0.65488322247 0.283775687935 0.286465539142} H38 68 1 1 {} {0.70538076549 0.442208873627 0.293717012607} H39 69 1 1 {} {0.69508085076 0.404346969812 0.196127838161} H40 70 1 1 {} {0.506755800843 0.304335980969 0.184922547696} H41 71 1 1 {} {0.546403909723 0.245604354073 0.191903245534} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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