#MD System 2.0 @Title neb0_image02 @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 {} {0.205136517373 0.529124370722 0.309513723129} C1 1 1 14 {} {0.258955408735 0.491695711373 0.26847548802} Si1 2 1 14 {} {0.158294536866 0.537112496756 0.228895095329} Si2 3 1 8 {} {0.271368384333 0.523347273217 0.169690074247} O1 4 1 8 {} {0.29943046615 0.511871587462 0.338496780756} O2 5 1 6 {} {0.25696599538 0.398561062919 0.261703732125} C2 6 1 6 {} {0.126709811951 0.457416260565 0.211293306698} C3 7 1 8 {} {0.182482892633 0.562442779724 0.134217715179} O3 8 1 8 {} {0.123185848331 0.598126317457 0.25714373297} O4 9 1 14 {} {0.350729158409 0.541309995155 0.344588603582} Si3 10 1 7 {} {0.385550489451 0.478523805521 0.386171262636} N1 11 1 14 {} {0.439556517643 0.47580807357 0.343951645665} Si4 12 1 14 {} {0.365326798377 0.424039592302 0.468985207078} Si5 13 1 7 {} {0.335539674133 0.460987229197 0.554204298089} N2 14 1 7 {} {0.461552997971 0.555430222504 0.349921680463} N3 15 1 1 {} {0.193589148536 0.50043397123 0.367893903209} H1 16 1 1 {} {0.213284696751 0.57994177028 0.333236325696} H2 17 1 1 {} {0.246457991409 0.544923706724 0.138905204771} H3 18 1 1 {} {0.251711368777 0.374842376459 0.326958524557} H4 19 1 1 {} {0.288616983284 0.379156573881 0.235126233718} H5 20 1 1 {} {0.230216895005 0.381818018384 0.216760067009} H6 21 1 1 {} {0.100349543501 0.464080172455 0.160931265806} H7 22 1 1 {} {0.110992968733 0.439872005838 0.273424748511} H8 23 1 1 {} {0.149105523514 0.417535398729 0.18771236656} H9 24 1 1 {} {0.163921631647 0.586322853507 0.0916753471822} H10 25 1 1 {} {0.0946843446054 0.585500180739 0.282671574696} H11 26 1 1 {} {0.367114639927 0.561396269163 0.25526774869} H12 27 1 1 {} {0.349448524634 0.599792839968 0.405426376959} H13 28 1 1 {} {0.463532696471 0.423585543579 0.39645116459} H14 29 1 1 {} {0.44165706776 0.458325683286 0.24766931339} H15 30 1 1 {} {0.333984101544 0.374947859419 0.428141918859} H16 31 1 1 {} {0.404769910012 0.389420760511 0.507682677731} H17 32 1 1 {} {0.304076964214 0.477549780725 0.542390000271} H18 33 1 1 {} {0.35119110545 0.492367248831 0.597705841399} H19 34 1 1 {} {0.484905802111 0.570601555918 0.30485311116} H20 35 1 1 {} {0.466862702468 0.578451171389 0.409169498764} H21 36 1 6 {} {0.655269057358 0.637404391636 0.50245797156} C4 37 1 14 {} {0.615721102174 0.573347774295 0.455774869913} Si6 38 1 14 {} {0.652553713559 0.723993036994 0.457805986733} Si7 39 1 8 {} {0.612213602997 0.581977216154 0.346159079566} O5 40 1 8 {} {0.636024737177 0.498924504625 0.479328819557} O6 41 1 6 {} {0.558900503583 0.57939026781 0.50616537186} C5 42 1 6 {} {0.605069671966 0.77464039529 0.502955030422} C6 43 1 8 {} {0.648372836333 0.712943192848 0.347260324444} O7 44 1 8 {} {0.700008493133 0.766084433015 0.47261953286} O8 45 1 14 {} {0.646146979596 0.420910998114 0.451888312622} Si8 46 1 7 {} {0.600966576994 0.3683973674 0.469102055465} N4 47 1 14 {} {0.581524923507 0.319355266127 0.380816042917} Si9 48 1 14 {} {0.575734128932 0.36462863454 0.57439649997} Si10 49 1 7 {} {0.611935459836 0.384204318581 0.661779466739} N5 50 1 7 {} {0.615319961375 0.256324008873 0.341860271617} N6 51 1 1 {} {0.651289669647 0.638707877371 0.575517447299} H22 52 1 1 {} {0.689487631742 0.619431296715 0.489743986473} H23 53 1 1 {} {0.625295625929 0.623614595659 0.32348500599} H24 54 1 1 {} {0.558351468899 0.57028132525 0.578488260736} H25 55 1 1 {} {0.537526001642 0.541715796197 0.474172252303} H26 56 1 1 {} {0.54403610282 0.628859401299 0.493733013634} H27 57 1 1 {} {0.604320437693 0.824934723524 0.473053939744} H28 58 1 1 {} {0.607057547701 0.780318693318 0.575945825656} H29 59 1 1 {} {0.572963396471 0.750581942499 0.487835199946} H30 60 1 1 {} {0.656583667106 0.750256456122 0.309128970255} H31 61 1 1 {} {0.700547609571 0.800419189789 0.517832033238} H32 62 1 1 {} {0.657431959395 0.415755633217 0.354536707128} H33 63 1 1 {} {0.685386112637 0.40057512537 0.506696711575} H34 64 1 1 {} {0.539383370065 0.28835950106 0.413801227779} H35 65 1 1 {} {0.572996540682 0.362622083471 0.301321642518} H36 66 1 1 {} {0.538401854471 0.413518159559 0.583228225098} H37 67 1 1 {} {0.559256078327 0.294771742406 0.587919462121} H38 68 1 1 {} {0.617230488461 0.432536071376 0.677569898022} H39 69 1 1 {} {0.638079999166 0.35518126179 0.67653564711} H40 70 1 1 {} {0.640121465204 0.267515895707 0.298296793415} H41 71 1 1 {} {0.624909001243 0.218157748414 0.383290741047} 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