#MD System 2.0 @Title neb0_image04 @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 {} {0.210359796072 0.527759819064 0.318277751895} C1 1 1 14 {} {0.264241221821 0.490698642639 0.276443470513} Si1 2 1 14 {} {0.163657177736 0.536221050741 0.237314664891} Si2 3 1 8 {} {0.276786254408 0.523582804113 0.178484467107} O1 4 1 8 {} {0.304179717894 0.511109655073 0.347389096245} O2 5 1 6 {} {0.262278936472 0.397525737692 0.269545547484} C2 6 1 6 {} {0.132095759544 0.456529679112 0.21961075641} C3 7 1 8 {} {0.188121061175 0.562097135635 0.14301721812} O3 8 1 8 {} {0.128312000634 0.597287055047 0.264423134288} O4 9 1 14 {} {0.355655201795 0.540030903878 0.352598634933} Si3 10 1 7 {} {0.39033066749 0.477002269026 0.394266930575} N1 11 1 14 {} {0.444589332782 0.475315546957 0.352737321701} Si4 12 1 14 {} {0.370044295025 0.422797749905 0.477088940724} Si5 13 1 7 {} {0.340901676453 0.460628730192 0.562454577188} N2 14 1 7 {} {0.465898433078 0.555516110596 0.357850949879} N3 15 1 1 {} {0.198720029522 0.499156680893 0.376733614005} H1 16 1 1 {} {0.218209955589 0.57860494182 0.342405765227} H2 17 1 1 {} {0.251313923496 0.543980799373 0.147859853274} H3 18 1 1 {} {0.257107547001 0.374499956237 0.335360572002} H4 19 1 1 {} {0.294001202916 0.378493353615 0.242775300888} H5 20 1 1 {} {0.235505703329 0.380502921647 0.22479835816} H6 21 1 1 {} {0.105587429633 0.462773183764 0.169548042894} H7 22 1 1 {} {0.116543530691 0.438832912086 0.281795083437} H8 23 1 1 {} {0.154472650368 0.416687768578 0.195993430394} H9 24 1 1 {} {0.169602030684 0.585217368878 0.0998387370083} H10 25 1 1 {} {0.0999053366048 0.58489235784 0.290406764017} H11 26 1 1 {} {0.372115467875 0.559993039569 0.262760992715} H12 27 1 1 {} {0.354582289026 0.598875358384 0.413725753895} H13 28 1 1 {} {0.468907527797 0.423321793319 0.405720986872} H14 29 1 1 {} {0.446892568742 0.457656857026 0.256039516636} H15 30 1 1 {} {0.338617727631 0.373677883309 0.436697252112} H16 31 1 1 {} {0.409578257457 0.388591202051 0.516195478805} H17 32 1 1 {} {0.309299870017 0.477106529794 0.55140273474} H18 33 1 1 {} {0.356910960695 0.491079500326 0.606399485054} H19 34 1 1 {} {0.489622124414 0.56976776224 0.313128709429} H20 35 1 1 {} {0.471484393722 0.577487172469 0.418024959192} H21 36 1 6 {} {0.650089223034 0.638220732991 0.494320786188} C4 37 1 14 {} {0.610707783666 0.574369083472 0.446845303946} Si6 38 1 14 {} {0.647535672429 0.724813510195 0.44941924573} Si7 39 1 8 {} {0.607780779712 0.582650165448 0.337137907711} O5 40 1 8 {} {0.630274771238 0.499552810217 0.470775735386} O6 41 1 6 {} {0.553905606303 0.580514353173 0.496873323072} C5 42 1 6 {} {0.599923345339 0.775229699563 0.494161292257} C6 43 1 8 {} {0.643365346598 0.713895478517 0.33894508947} O7 44 1 8 {} {0.695107552419 0.766228327676 0.465122507848} O8 45 1 14 {} {0.640735252028 0.421611268156 0.4429486191} Si8 46 1 7 {} {0.595351946558 0.369486392203 0.460925503849} N4 47 1 14 {} {0.575802100782 0.320281379566 0.372424125822} Si9 48 1 14 {} {0.570684256417 0.366091435547 0.56754096255} Si10 49 1 7 {} {0.605885128809 0.384861030526 0.654381259666} N5 50 1 7 {} {0.610802759689 0.257535072653 0.335043599703} N6 51 1 1 {} {0.645792135905 0.639606913499 0.567375752049} H22 52 1 1 {} {0.684145187178 0.619492191457 0.481887256505} H23 53 1 1 {} {0.620328411445 0.624770926817 0.314998334853} H24 54 1 1 {} {0.553829587752 0.570825373785 0.568992370819} H25 55 1 1 {} {0.532480869008 0.54288799556 0.464946363119} H26 56 1 1 {} {0.539107025989 0.630207539933 0.485110216204} H27 57 1 1 {} {0.599173454164 0.825644651634 0.464783763321} H28 58 1 1 {} {0.601986056582 0.780747172334 0.567107596356} H29 59 1 1 {} {0.567837967293 0.751096187352 0.479033370898} H30 60 1 1 {} {0.651254157023 0.751354835926 0.300998373607} H31 61 1 1 {} {0.695474155862 0.80118163064 0.509805406145} H32 62 1 1 {} {0.652233963144 0.416613538187 0.346176033852} H33 63 1 1 {} {0.679915929124 0.401257644352 0.497726814785} H34 64 1 1 {} {0.534031268998 0.288265573708 0.405247799679} H35 65 1 1 {} {0.567617074632 0.363086566613 0.29282984484} H36 66 1 1 {} {0.533444241328 0.415432888246 0.573822334849} H37 67 1 1 {} {0.553533217579 0.296612506002 0.579132733606} H38 68 1 1 {} {0.612468650115 0.433478105501 0.669278833561} H39 69 1 1 {} {0.632929209408 0.355828105241 0.667565563053} H40 70 1 1 {} {0.635403951731 0.268579933554 0.290775902631} H41 71 1 1 {} {0.620307739581 0.219689682863 0.376233357724} 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