#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 {} {0.202585432297 0.529388397721 0.305251040801} C1 1 1 14 {} {0.256332571507 0.491869765617 0.26361453435} Si1 2 1 14 {} {0.155904564996 0.53749740163 0.224421142477} Si2 3 1 8 {} {0.268695488038 0.524169900022 0.165227647936} O1 4 1 8 {} {0.296812729266 0.51170882774 0.333747481014} O2 5 1 6 {} {0.254370182678 0.39873395459 0.257048180578} C2 6 1 6 {} {0.124151166006 0.458034846881 0.206949023253} C3 7 1 8 {} {0.18023383096 0.562993667337 0.129879476199} O3 8 1 8 {} {0.120801440085 0.598400716952 0.252832718662} O4 9 1 14 {} {0.348051428359 0.541460988627 0.339764772235} Si3 10 1 7 {} {0.38292552808 0.478858036455 0.381938744426} N1 11 1 14 {} {0.437283269335 0.476741235613 0.340971482178} Si4 12 1 14 {} {0.362445544888 0.424246095369 0.464254560415} Si5 13 1 7 {} {0.332913392633 0.461620989182 0.549589401028} N2 14 1 7 {} {0.459412988777 0.556272197885 0.347504317774} N3 15 1 1 {} {0.190871765325 0.500772997667 0.363610800942} H1 16 1 1 {} {0.210613560658 0.580266329069 0.329025908518} H2 17 1 1 {} {0.243562666637 0.545570847368 0.134596851825} H3 18 1 1 {} {0.249175485672 0.37541332187 0.322579331951} H4 19 1 1 {} {0.28603579228 0.379415609274 0.230489194012} H5 20 1 1 {} {0.227560250578 0.381911813156 0.212378065444} H6 21 1 1 {} {0.0976829114332 0.464605393364 0.156837642013} H7 22 1 1 {} {0.108518823744 0.440630507562 0.269222842078} H8 23 1 1 {} {0.146385814504 0.417987349971 0.183417604296} H9 24 1 1 {} {0.161651232436 0.586769764412 0.0873990960786} H10 25 1 1 {} {0.0921557501695 0.585861746793 0.278070742032} H11 26 1 1 {} {0.364467918372 0.561680650597 0.250490142089} H12 27 1 1 {} {0.346675214721 0.599978070846 0.400713089489} H13 28 1 1 {} {0.460947431225 0.42395917149 0.392838185488} H14 29 1 1 {} {0.439145831794 0.459484597196 0.24431479846} H15 30 1 1 {} {0.331036331057 0.375250325453 0.423646955191} H16 31 1 1 {} {0.401909006163 0.389830974148 0.503267846826} H17 32 1 1 {} {0.301358386813 0.478112741806 0.538327431365} H18 33 1 1 {} {0.348686110745 0.492624027868 0.593330884922} H19 34 1 1 {} {0.482155419232 0.571477111223 0.30116650857} H20 35 1 1 {} {0.465438552803 0.578886142499 0.40673304821} H21 36 1 6 {} {0.657680584568 0.637148214021 0.506983288349} C4 37 1 14 {} {0.61823905144 0.572987251989 0.45966159449} Si6 38 1 14 {} {0.655349465818 0.723607383956 0.461752997792} Si7 39 1 8 {} {0.616166643459 0.580977370503 0.349842249677} O5 40 1 8 {} {0.638566101918 0.498518472693 0.484273766349} O6 41 1 6 {} {0.560962810191 0.578794117567 0.508846392419} C5 42 1 6 {} {0.607688473369 0.7740683137 0.506662370491} C6 43 1 8 {} {0.652449091847 0.712172175409 0.351185332555} O7 44 1 8 {} {0.702539387002 0.765872280885 0.477365896957} O8 45 1 14 {} {0.648715579754 0.420432599112 0.456154606069} Si8 46 1 7 {} {0.603193135967 0.368369745873 0.473819103018} N4 47 1 14 {} {0.583516936494 0.319183492864 0.385303139172} Si9 48 1 14 {} {0.578465173302 0.364292010067 0.579976054281} Si10 49 1 7 {} {0.613471869385 0.383279194162 0.667428515862} N5 50 1 7 {} {0.618343015044 0.256426771837 0.347535388135} N6 51 1 1 {} {0.653830330874 0.638533548582 0.580093348602} H22 52 1 1 {} {0.691835341602 0.61887088228 0.494196791119} H23 53 1 1 {} {0.628226940709 0.623312561532 0.327513828579} H24 54 1 1 {} {0.560635670701 0.569318983901 0.581122988471} H25 55 1 1 {} {0.538906772343 0.541786640253 0.477196811739} H26 56 1 1 {} {0.54631151717 0.628528780304 0.497510814026} H27 57 1 1 {} {0.606860739678 0.824560528696 0.47734576239} H28 58 1 1 {} {0.609864772296 0.779548819106 0.57972185069} H29 59 1 1 {} {0.575510142876 0.750027066569 0.491993488074} H30 60 1 1 {} {0.659492263098 0.750074542047 0.313305096801} H31 61 1 1 {} {0.703147286433 0.800179921805 0.522825672681} H32 62 1 1 {} {0.660086858205 0.415297559766 0.359224985343} H33 63 1 1 {} {0.687904888552 0.399671318246 0.51102588632} H34 64 1 1 {} {0.541697219031 0.287468441156 0.417915691197} H35 65 1 1 {} {0.575380501603 0.36184884509 0.305488640191} H36 66 1 1 {} {0.540881172883 0.413159557536 0.586632920596} H37 67 1 1 {} {0.56166999078 0.294463199802 0.591537169149} H38 68 1 1 {} {0.620051212647 0.432163251986 0.681399236886} H39 69 1 1 {} {0.64069616541 0.354611744855 0.680530665407} H40 70 1 1 {} {0.64271845666 0.267255998493 0.302838677745} H41 71 1 1 {} {0.627668484787 0.218004996729 0.388145644205} 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