#MD System 2.0 @Title neb0_image05 @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 {} {0.214313599111 0.526991793756 0.323730823958} C1 1 1 14 {} {0.267705967129 0.48934124592 0.282296114696} Si1 2 1 14 {} {0.167537514404 0.535310722726 0.243393842773} Si2 3 1 8 {} {0.280586366934 0.520386930817 0.183512378995} O1 4 1 8 {} {0.306594178073 0.511849892774 0.354672221729} O2 5 1 6 {} {0.26612337789 0.396242222918 0.276535573169} C2 6 1 6 {} {0.136089266158 0.455551034331 0.225627123205} C3 7 1 8 {} {0.191627784603 0.562190916178 0.149170953949} O3 8 1 8 {} {0.131960300343 0.595598193764 0.272418928564} O4 9 1 14 {} {0.358108950319 0.539147473988 0.358280633083} Si3 10 1 7 {} {0.391836833391 0.47435003983 0.39747935092} N1 11 1 14 {} {0.444184774388 0.472298780114 0.348357375644} Si4 12 1 14 {} {0.373246613049 0.421234263105 0.483271155684} Si5 13 1 7 {} {0.344682772515 0.459839219294 0.568476347847} N2 14 1 7 {} {0.45845342296 0.555865246662 0.340388492404} N3 15 1 1 {} {0.202805271683 0.49879621716 0.382634735304} H1 16 1 1 {} {0.222505827009 0.577858634633 0.347355759345} H2 17 1 1 {} {0.25570294021 0.542728806918 0.153452438561} H3 18 1 1 {} {0.260683234431 0.372977270474 0.34204901786} H4 19 1 1 {} {0.297721540148 0.376956051633 0.24967392413} H5 20 1 1 {} {0.239345030177 0.379693475727 0.231432120764} H6 21 1 1 {} {0.109559979914 0.462104287895 0.175621758772} H7 22 1 1 {} {0.120439409518 0.438379961664 0.28804882111} H8 23 1 1 {} {0.158117867655 0.415176831722 0.202248801627} H9 24 1 1 {} {0.17280504455 0.58497285035 0.106413546275} H10 25 1 1 {} {0.103738143806 0.582210224762 0.298059405782} H11 26 1 1 {} {0.374227453444 0.55943664321 0.268328544443} H12 27 1 1 {} {0.358692684803 0.597491266451 0.420769748784} H13 28 1 1 {} {0.47356149859 0.429700637717 0.405626148748} H14 29 1 1 {} {0.44654549614 0.444984464114 0.255816088477} H15 30 1 1 {} {0.341888101837 0.371188411061 0.445102990378} H16 31 1 1 {} {0.413242769139 0.38811729654 0.521905105802} H17 32 1 1 {} {0.312991283402 0.476059520454 0.557645075419} H18 33 1 1 {} {0.360451608991 0.490436281815 0.612300278852} H19 34 1 1 {} {0.488655587816 0.566980509239 0.312156025548} H20 35 1 1 {} {0.454608303591 0.582977539176 0.396814554753} H21 36 1 6 {} {0.651621928655 0.641124570441 0.48830881772} C4 37 1 14 {} {0.611341226819 0.576335428653 0.446944938701} Si6 38 1 14 {} {0.645166602247 0.727078306074 0.442288377342} Si7 39 1 8 {} {0.600283300388 0.585317509219 0.338962519291} O5 40 1 8 {} {0.630379188487 0.500679534647 0.465289989682} O6 41 1 6 {} {0.557536415679 0.581527615508 0.508101701747} C5 42 1 6 {} {0.596650473555 0.775818085044 0.487531344032} C6 43 1 8 {} {0.640014970886 0.715120946075 0.33236745193} O7 44 1 8 {} {0.691815975008 0.770767582374 0.45617274081} O8 45 1 14 {} {0.637831933675 0.4222067372 0.437316909479} Si8 46 1 7 {} {0.591562000245 0.370895913001 0.454127144948} N4 47 1 14 {} {0.571895801264 0.321478624482 0.366702945036} Si9 48 1 14 {} {0.566947022312 0.366829544031 0.561267297305} Si10 49 1 7 {} {0.601985877985 0.385540265427 0.647259106327} N5 50 1 7 {} {0.60619169335 0.258052673298 0.327757591641} N6 51 1 1 {} {0.646386059413 0.642357924309 0.561023987323} H22 52 1 1 {} {0.686499258555 0.625732381147 0.47747492923} H23 53 1 1 {} {0.614110669863 0.624526974655 0.311210680243} H24 54 1 1 {} {0.560444410936 0.579760290397 0.581052793754} H25 55 1 1 {} {0.539641551835 0.536241024319 0.48613033643} H26 56 1 1 {} {0.538054835577 0.625310746991 0.488833845391} H27 57 1 1 {} {0.59556369501 0.826231429079 0.458112588565} H28 58 1 1 {} {0.598490596713 0.781868663828 0.560358535035} H29 59 1 1 {} {0.564539451927 0.751819213902 0.472501996809} H30 60 1 1 {} {0.647369212363 0.752061551416 0.293094836665} H31 61 1 1 {} {0.692238436328 0.803936707465 0.503521655697} H32 62 1 1 {} {0.648474357708 0.417145159472 0.339935768504} H33 63 1 1 {} {0.676695394665 0.400742849066 0.491586789234} H34 64 1 1 {} {0.530100799023 0.289516317395 0.399615003348} H35 65 1 1 {} {0.563610364255 0.364443147153 0.286440250828} H36 66 1 1 {} {0.52937510461 0.415087181725 0.568937318914} H37 67 1 1 {} {0.549979992536 0.29673779902 0.572476037166} H38 68 1 1 {} {0.608192017613 0.43430064018 0.663587821977} H39 69 1 1 {} {0.629417373637 0.356670480613 0.661651921648} H40 70 1 1 {} {0.630718356377 0.269095712349 0.283315885997} H41 71 1 1 {} {0.615210633624 0.219518195774 0.36748010554} 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