#MD System 2.0 @Title neb0_image08 @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 {} {0.362230485401 0.525607680308 0.423581244689} C1 1 1 14 {} {0.343329260597 0.49249060375 0.534604979509} Si1 2 1 14 {} {0.416066616139 0.570726631043 0.418536145664} Si2 3 1 8 {} {0.346648897341 0.55272769305 0.60984040737} O1 4 1 8 {} {0.290437567577 0.470375559597 0.526650377653} O2 5 1 6 {} {0.375008269612 0.41655782032 0.569979826382} C2 6 1 6 {} {0.464779560921 0.515207560279 0.411266877212} C3 7 1 8 {} {0.419051976687 0.61237392301 0.515173176885} O3 8 1 8 {} {0.417255271815 0.620129239947 0.330049511286} O4 9 1 14 {} {0.23808961582 0.476094779922 0.557247525084} Si3 10 1 7 {} {0.218482086247 0.397375546046 0.588713961751} N1 11 1 14 {} {0.182441406815 0.393092940701 0.680578073016} Si4 12 1 14 {} {0.234081720236 0.327347411251 0.524684014154} Si5 13 1 7 {} {0.235302438867 0.339680013502 0.411066920747} N2 14 1 7 {} {0.134899583613 0.441376186766 0.67342402737} N3 15 1 1 {} {0.362000238491 0.48516982341 0.373507519216} H1 16 1 1 {} {0.337352565265 0.562560081631 0.401544468761} H2 17 1 1 {} {0.370396657783 0.584929539964 0.59678684657} H3 18 1 1 {} {0.371672197693 0.375528448126 0.521523731847} H4 19 1 1 {} {0.362350107195 0.398467176881 0.634494021572} H5 20 1 1 {} {0.410727077173 0.427506381581 0.578302393217} H6 21 1 1 {} {0.497693017829 0.538318033486 0.412700646106} H7 22 1 1 {} {0.463720109699 0.482601164482 0.353236263269} H8 23 1 1 {} {0.463969338251 0.483246734945 0.469769920888} H9 24 1 1 {} {0.444484991846 0.641445370975 0.52463300007} H10 25 1 1 {} {0.446267578954 0.62746776899 0.303062473552} H11 26 1 1 {} {0.232354556928 0.521781283906 0.635227268897} H12 27 1 1 {} {0.212621204563 0.502698190846 0.479529018737} H13 28 1 1 {} {0.169577427521 0.321401571579 0.688709137183} H14 29 1 1 {} {0.205493669612 0.417449980434 0.762441954427} H15 30 1 1 {} {0.279995614063 0.305721522974 0.549630287293} H16 31 1 1 {} {0.200940738944 0.274003177687 0.545044957241} H17 32 1 1 {} {0.261719459438 0.363784037324 0.383204568157} H18 33 1 1 {} {0.206811488681 0.350456083678 0.377151458327} H19 34 1 1 {} {0.134743430419 0.488996928865 0.697127481557} H20 35 1 1 {} {0.112253064652 0.435452458533 0.623590936827} H21 36 1 6 {} {0.579596530144 0.357167196363 0.30825647205} C4 37 1 14 {} {0.576194843285 0.389356087935 0.425660328418} Si6 38 1 14 {} {0.563620444442 0.268108866352 0.29042365212} Si7 39 1 8 {} {0.60467659533 0.341098075919 0.493744100789} O5 40 1 8 {} {0.597165193299 0.465599893066 0.430245437185} O6 41 1 6 {} {0.518284706479 0.393530978834 0.464897128642} C5 42 1 6 {} {0.502710834757 0.257480183457 0.266788739445} C6 43 1 8 {} {0.57891082389 0.229424279636 0.384653937097} O7 44 1 8 {} {0.593308969906 0.23118578684 0.210498934459} O8 45 1 14 {} {0.641026994836 0.51038857396 0.458913347504} Si8 46 1 7 {} {0.62560899582 0.591478457374 0.486253828199} N4 47 1 14 {} {0.632141118167 0.619333644083 0.596341936759} Si9 48 1 14 {} {0.601711980985 0.645313342641 0.407041156148} Si10 49 1 7 {} {0.612836826895 0.625979059115 0.297370210468} N5 50 1 7 {} {0.684916454374 0.63917210643 0.632891182622} N6 51 1 1 {} {0.560145687409 0.388941482928 0.262319605974} H22 52 1 1 {} {0.61488167142 0.362326244565 0.28864610862} H23 53 1 1 {} {0.601958544406 0.294263307859 0.475988500688} H24 54 1 1 {} {0.501043176481 0.423820740753 0.416120615191} H25 55 1 1 {} {0.51488087851 0.41968951796 0.528444439395} H26 56 1 1 {} {0.499083838664 0.347133995144 0.465493768853} H27 57 1 1 {} {0.493379334957 0.204370101136 0.262169325538} H28 58 1 1 {} {0.493439168409 0.281602412177 0.203399264279} H29 59 1 1 {} {0.482298251643 0.280312669762 0.31959762987} H30 60 1 1 {} {0.581596813096 0.181056315178 0.382431196493} H31 61 1 1 {} {0.580106860963 0.227067259444 0.151774129119} H32 62 1 1 {} {0.663178319744 0.481799860535 0.539731025609} H33 63 1 1 {} {0.672852275492 0.510197835552 0.38233205675} H34 64 1 1 {} {0.604593830542 0.681366330553 0.602966420372} H35 65 1 1 {} {0.615760862455 0.566380597854 0.657950157203} H36 66 1 1 {} {0.55190946315 0.644450872183 0.414587343932} H37 67 1 1 {} {0.618682731092 0.71422821983 0.425042300247} H38 68 1 1 {} {0.596505536706 0.587631433844 0.267296303434} H39 69 1 1 {} {0.644389886249 0.629594166604 0.273118150009} H40 70 1 1 {} {0.70629601543 0.60186478567 0.650582147407} H41 71 1 1 {} {0.701888217318 0.678262272167 0.605499982472} 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