#MD System 2.0 @Title neb0_image07 @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 {} {0.249488662874 0.524062002951 0.379464357355} C1 1 1 14 {} {0.298626621044 0.483140947211 0.339284690643} Si1 2 1 14 {} {0.204868091146 0.531232454216 0.301495192785} Si2 3 1 8 {} {0.31238782039 0.487881921404 0.226653606656} O1 4 1 8 {} {0.325925707569 0.532297202808 0.41834227584} O2 5 1 6 {} {0.304716412684 0.38861291221 0.344113883143} C2 6 1 6 {} {0.175183321794 0.450744003216 0.286763123963} C3 7 1 8 {} {0.228872737642 0.571913253682 0.218870797228} O3 8 1 8 {} {0.169182449529 0.57915556468 0.351294537026} O4 9 1 14 {} {0.382794314907 0.535934818293 0.402172496475} Si3 10 1 7 {} {0.373234025818 0.420929525674 0.431136738152} N1 11 1 14 {} {0.358974147719 0.386396650922 0.139419734909} Si4 12 1 14 {} {0.396911092478 0.397483630665 0.563327335888} Si5 13 1 7 {} {0.372900090874 0.444418778529 0.654017710188} N2 14 1 7 {} {0.0980082333245 0.662404293676 -0.27653607394} N3 15 1 1 {} {0.241437626417 0.493593729313 0.438431193678} H1 16 1 1 {} {0.265466452693 0.572212293187 0.401910159426} H2 17 1 1 {} {0.294409411782 0.537177135592 0.202730568958} H3 18 1 1 {} {0.298163175828 0.359293531804 0.404169877535} H4 19 1 1 {} {0.335775504465 0.365378654508 0.319115816553} H5 20 1 1 {} {0.278041679856 0.374647948283 0.297394595385} H6 21 1 1 {} {0.148495825996 0.459356434602 0.236947853107} H7 22 1 1 {} {0.158354549296 0.437597765803 0.351412616838} H8 23 1 1 {} {0.19527049743 0.406580549454 0.267068415631} H9 24 1 1 {} {0.204760517534 0.584241966783 0.166173622343} H10 25 1 1 {} {0.138655953421 0.561645285326 0.371701549066} H11 26 1 1 {} {0.394749019617 0.546601387008 0.32292694368} H12 27 1 1 {} {0.403650260182 0.586089152639 0.483087727115} H13 28 1 1 {} {0.506983870975 0.567540187438 0.352116073199} H14 29 1 1 {} {0.440491082907 0.230920959857 0.143923174625} H15 30 1 1 {} {0.368525865972 0.335549795861 0.52701858326} H16 31 1 1 {} {0.452023761257 0.379683219021 0.577458416664} H17 32 1 1 {} {0.3480865399 0.472220819681 0.624184327103} H18 33 1 1 {} {0.390082931832 0.487326021587 0.677296579034} H19 34 1 1 {} {0.375139927104 0.478648970831 0.241233305275} H20 35 1 1 {} {-0.0784480831262 0.67812802852 -0.175307776012} H21 36 1 6 {} {0.723124209294 0.682696514744 0.426888599013} C4 37 1 14 {} {0.700960350264 0.632485955113 0.513003827519} Si6 38 1 14 {} {0.625869533659 0.751147022068 0.368572660009} Si7 39 1 8 {} {0.50557405352 0.62525121255 0.435727115272} O5 40 1 8 {} {0.646263489848 0.506281140014 0.400728313225} O6 41 1 6 {} {0.764191612822 0.657062987477 0.902939991546} C5 42 1 6 {} {0.561611075467 0.778105903711 0.426786775636} C6 43 1 8 {} {0.603968938743 0.722335459355 0.263360406181} O7 44 1 8 {} {0.662073609274 0.821716410391 0.373046008586} O8 45 1 14 {} {0.610263562706 0.418863952874 0.3914090038} Si8 46 1 7 {} {0.553511671853 0.37158829687 0.377360361364} N4 47 1 14 {} {0.538376293696 0.327285188463 0.31255101669} Si9 48 1 14 {} {0.536164150498 0.370131128651 0.524913189129} Si10 49 1 7 {} {0.575812815104 0.388565916767 0.561001781236} N5 50 1 7 {} {0.562280913974 0.250222889625 0.243601684619} N6 51 1 1 {} {0.641556435719 0.652494371657 0.476942181508} H22 52 1 1 {} {0.764566157973 0.707844090302 0.448781862286} H23 53 1 1 {} {0.543972573056 0.605141302077 0.274318203209} H24 54 1 1 {} {0.725644772855 0.75127647832 0.998663965716} H25 55 1 1 {} {0.976663834219 0.352273165453 0.965958232073} H26 56 1 1 {} {0.601285160996 0.521481844226 0.60423976592} H27 57 1 1 {} {0.559109832897 0.829779905524 0.393167535784} H28 58 1 1 {} {0.561032260093 0.790905507237 0.500268207208} H29 59 1 1 {} {0.525920189616 0.762887441979 0.41240622115} H30 60 1 1 {} {0.606532832236 0.754670628712 0.216461945635} H31 61 1 1 {} {0.656330555628 0.830370880816 0.445005887586} H32 62 1 1 {} {0.609786267914 0.421863848883 0.273886379427} H33 63 1 1 {} {0.647959118889 0.402129286496 0.438458318831} H34 64 1 1 {} {0.495630290462 0.295951861962 0.342339077665} H35 65 1 1 {} {0.526952345178 0.372349485674 0.2332914028} H36 66 1 1 {} {0.498684259504 0.421320811999 0.571489197682} H37 67 1 1 {} {0.51316041683 0.293564650314 0.517496806778} H38 68 1 1 {} {0.567458134089 0.43327229132 0.610843099364} H39 69 1 1 {} {0.601872165326 0.362195829242 0.614415091675} H40 70 1 1 {} {0.58903561947 0.273672870627 0.213502016368} H41 71 1 1 {} {0.572287931445 0.217074010799 0.285166687659} 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