#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 {} {0.363668966756 0.561097103504 0.413005628914} C1 1 1 14 {} {0.340484360209 0.534512656581 0.523496316335} Si1 2 1 14 {} {0.425315446943 0.571524620378 0.40871190472} Si2 3 1 8 {} {0.353700132079 0.591360855533 0.599435964773} O1 4 1 8 {} {0.285667886007 0.532760840559 0.516295850055} O2 5 1 6 {} {0.359458841234 0.449334265284 0.55822953386} C2 6 1 6 {} {0.456047352129 0.490929436429 0.393915416837} C3 7 1 8 {} {0.438330745516 0.606648118193 0.507604391174} O3 8 1 8 {} {0.43797043009 0.623320321599 0.325792774854} O4 9 1 14 {} {0.235164105188 0.537468555644 0.55769844365} Si3 10 1 7 {} {0.21551203389 0.459346720574 0.591888800416} N1 11 1 14 {} {0.193104636922 0.451037423581 0.699366018256} Si4 12 1 14 {} {0.216039793224 0.39165521311 0.51685411789} Si5 13 1 7 {} {0.209937565976 0.412671766389 0.406316025517} N2 14 1 7 {} {0.142638661437 0.489987247772 0.719706155782} N3 15 1 1 {} {0.353877536884 0.52537155547 0.360468351579} H1 16 1 1 {} {0.348309288136 0.609597976308 0.395826476286} H2 17 1 1 {} {0.383606386457 0.609655990306 0.589886614008} H3 18 1 1 {} {0.350757265733 0.410752270831 0.508845720663} H4 19 1 1 {} {0.343705200072 0.435539059334 0.621874154641} H5 20 1 1 {} {0.395771241287 0.448084931725 0.568231706706} H6 21 1 1 {} {0.49205367489 0.500486886367 0.391001200913} H7 22 1 1 {} {0.446559442377 0.466592744871 0.330913544116} H8 23 1 1 {} {0.449782862627 0.455482019341 0.448467828426} H9 24 1 1 {} {0.469292349342 0.620305180961 0.513516993833} H10 25 1 1 {} {0.469841676838 0.623175547041 0.312982661191} H11 26 1 1 {} {0.233552802503 0.581672319512 0.637889321247} H12 27 1 1 {} {0.206325810937 0.565556214769 0.486052048342} H13 28 1 1 {} {0.186445509065 0.377947195027 0.713644543576} H14 29 1 1 {} {0.224641651637 0.480238179072 0.765403520654} H15 30 1 1 {} {0.259309832539 0.355050495221 0.522685441457} H16 31 1 1 {} {0.178419448573 0.347093299427 0.543526864416} H17 32 1 1 {} {0.236986791692 0.427511503163 0.370490451599} H18 33 1 1 {} {0.182017215202 0.436303112254 0.384329469099} H19 34 1 1 {} {0.141886284498 0.539659413863 0.734518376191} H20 35 1 1 {} {0.114621799406 0.476267425908 0.686087070841} H21 36 1 6 {} {0.627358680579 0.631514153497 0.350085106557} C4 37 1 14 {} {0.584248665299 0.569281920458 0.387605851671} Si6 38 1 14 {} {0.621517335532 0.719981003815 0.386611093975} Si7 39 1 8 {} {0.534698400505 0.607142090718 0.382288349166} O5 40 1 8 {} {0.584405526073 0.504845241177 0.32029842193} O6 41 1 6 {} {0.594886366695 0.537086653637 0.502475467784} C5 42 1 6 {} {0.639507720579 0.737010056224 0.503867506636} C6 43 1 8 {} {0.566631461904 0.734871558542 0.37530095324} O7 44 1 8 {} {0.649015376803 0.769546188922 0.316626438578} O8 45 1 14 {} {0.578140246357 0.44412765526 0.247601930384} Si8 46 1 7 {} {0.590747875131 0.366168924692 0.290646232232} N4 47 1 14 {} {0.54709324743 0.309676756901 0.314069314792} Si9 48 1 14 {} {0.645300619994 0.340758903095 0.315782943019} Si10 49 1 7 {} {0.686298139292 0.387015207952 0.264589230721} N5 50 1 7 {} {0.523264324178 0.266621212586 0.227031648132} N6 51 1 1 {} {0.660800074113 0.613257200878 0.368612522991} H22 52 1 1 {} {0.626292735626 0.632240905924 0.276428873413} H23 53 1 1 {} {0.538142374428 0.656228131458 0.377988721961} H24 54 1 1 {} {0.626944740499 0.510395024718 0.505545787886} H25 55 1 1 {} {0.568677452551 0.501681704363 0.522604967137} H26 56 1 1 {} {0.595744102272 0.577614581156 0.552052323216} H27 57 1 1 {} {0.634210904746 0.789772848999 0.522026586313} H28 58 1 1 {} {0.675082519583 0.725572055888 0.513264553103} H29 59 1 1 {} {0.620482334756 0.706426307952 0.551524469147} H30 60 1 1 {} {0.555923224986 0.780550737954 0.372171599428} H31 61 1 1 {} {0.666987422993 0.805087740367 0.341690200064} H32 62 1 1 {} {0.530543300879 0.442107121885 0.218724462626} H33 63 1 1 {} {0.607392725445 0.460197273428 0.170101371756} H34 64 1 1 {} {0.567050475216 0.258966382406 0.375215375701} H35 65 1 1 {} {0.510290557396 0.347649670007 0.357261167919} H36 66 1 1 {} {0.654589368909 0.346838162257 0.413314797879} H37 67 1 1 {} {0.649177202801 0.26936630899 0.287653878224} H38 68 1 1 {} {0.69973254659 0.427686904199 0.294920971498} H39 69 1 1 {} {0.689318916964 0.389860409411 0.197243929789} H40 70 1 1 {} {0.500949184275 0.289707355233 0.18622499968} H41 71 1 1 {} {0.540671147214 0.231083425505 0.193139870408} 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