#MD System 2.0 @Title neb0_image09 @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 {} {0.213705545108 0.525638181239 0.309575425725} C1 1 1 14 {} {0.274099526314 0.487939963567 0.269703994697} Si1 2 1 14 {} {0.158828465347 0.53507093584 0.224046840139} Si2 3 1 8 {} {0.270643761141 0.54431932492 0.181511031946} O1 4 1 8 {} {0.382920924564 0.467344760714 0.232460089204} O2 5 1 6 {} {0.249852593221 0.403805946018 0.248496065644} C2 6 1 6 {} {0.117932775363 0.459857790896 0.202265747244} C3 7 1 8 {} {0.175742213811 0.553197080334 0.115331447798} O3 8 1 8 {} {0.117418114084 0.600422157993 0.233533732554} O4 9 1 14 {} {0.416464907513 0.594108222259 0.350678994163} Si3 10 1 7 {} {0.470899522367 0.58902417224 0.479983069912} N1 11 1 14 {} {0.555886917723 0.535076837981 0.56741694303} Si4 12 1 14 {} {0.376809019602 0.449557380769 0.488588682906} Si5 13 1 7 {} {0.328053257379 0.490244454677 0.564113130125} N2 14 1 7 {} {0.676269851435 0.582359063998 0.997957602065} N3 15 1 1 {} {0.184268533469 0.501377636254 0.361467315968} H1 16 1 1 {} {0.199957029908 0.588267533217 0.334089959295} H2 17 1 1 {} {0.242160226167 0.543854586978 0.145508099783} H3 18 1 1 {} {0.246588929454 0.378717481864 0.309114310181} H4 19 1 1 {} {0.280369914095 0.384937112539 0.221502248638} H5 20 1 1 {} {0.225581374006 0.387069412482 0.209841159085} H6 21 1 1 {} {0.0910609510777 0.461252134734 0.150104196955} H7 22 1 1 {} {0.103505078354 0.435424775726 0.26363087896} H8 23 1 1 {} {0.14438335018 0.424090414376 0.17664638045} H9 24 1 1 {} {0.162083171012 0.58360262293 0.0770901213179} H10 25 1 1 {} {0.0894955719057 0.601964453565 0.260661456698} H11 26 1 1 {} {0.486554806364 0.666446389065 0.304591194075} H12 27 1 1 {} {0.333879337133 0.639172362372 0.416354034544} H13 28 1 1 {} {0.47041764634 0.19785955067 0.621060338887} H14 29 1 1 {} {0.54599244183 0.794447036782 0.409427969834} H15 30 1 1 {} {0.339905864345 0.414609715319 0.320201357687} H16 31 1 1 {} {0.428412953874 0.377964620136 0.511753666688} H17 32 1 1 {} {0.280715478464 0.47024610577 0.489418562803} H18 33 1 1 {} {0.370972178293 0.502023687858 0.600730821179} H19 34 1 1 {} {0.736120984337 0.434508479097 0.455486081591} H20 35 1 1 {} {0.939789321918 0.2970572255 1.11523300947} H21 36 1 6 {} {0.501467664169 0.691585496627 0.519308358921} C4 37 1 14 {} {0.524926507599 0.570195765881 0.412170823746} Si6 38 1 14 {} {0.581765583081 0.750560188299 0.46457018555} Si7 39 1 8 {} {0.687150044602 0.529049568884 0.124089698928} O5 40 1 8 {} {0.508171456764 0.502086164806 0.442949394484} O6 41 1 6 {} {0.369012231576 0.62922305178 0.19037893137} C5 42 1 6 {} {0.592980209115 0.794541472324 0.521376766011} C6 43 1 8 {} {0.642686272226 0.672012916972 0.353626638967} O7 44 1 8 {} {0.689494182208 0.608792921626 0.54285590583} O8 45 1 14 {} {0.623197527815 0.398523013958 0.455229784165} Si8 46 1 7 {} {0.58826400018 0.336297242794 0.461279398551} N4 47 1 14 {} {0.588364986071 0.310765418585 0.384601995159} Si9 48 1 14 {} {0.56989094896 0.379238190511 0.570513069144} Si10 49 1 7 {} {0.595861860021 0.395140896594 0.666959052607} N5 50 1 7 {} {0.626098541952 0.260533788415 0.365023546715} N6 51 1 1 {} {0.485141648302 0.572403620688 0.594874538043} H22 52 1 1 {} {0.521992511952 0.398714165041 0.319222640072} H23 53 1 1 {} {0.692438586052 0.649387543938 0.255898355031} H24 54 1 1 {} {0.264097755732 0.353964488638 0.33785658547} H25 55 1 1 {} {0.318342293269 0.618733951289 -0.317671337573} H26 56 1 1 {} {0.464566280956 0.92266990321 0.234772055717} H27 57 1 1 {} {0.611548223318 0.834327592667 0.487190628608} H28 58 1 1 {} {0.611917855474 0.780783510749 0.595623902552} H29 59 1 1 {} {0.57402887013 0.752178647461 0.505443601056} H30 60 1 1 {} {0.669700599 0.74074542596 0.379334645413} H31 61 1 1 {} {0.692598794421 0.742046890633 0.516857989277} H32 62 1 1 {} {0.665336886018 0.443330286481 0.36165980276} H33 63 1 1 {} {0.680452723161 0.440508668811 0.524287465576} H34 64 1 1 {} {0.550187607932 0.300985864203 0.425115685293} H35 65 1 1 {} {0.580409947971 0.363424712985 0.30678453927} H36 66 1 1 {} {0.52734267354 0.411150064353 0.497269888372} H37 67 1 1 {} {0.562336525522 0.307581840771 0.589602234476} H38 68 1 1 {} {0.621078091114 0.450453590424 0.675923244514} H39 69 1 1 {} {0.614722555648 0.352726154313 0.653650453379} H40 70 1 1 {} {0.648823808298 0.270357525572 0.318049402357} H41 71 1 1 {} {0.633538862439 0.229421727341 0.413553145866} 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