#MD System 2.0 @Title neb0_image03 @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 {} {0.361900485164 0.556211741601 0.413185196893} C1 1 1 14 {} {0.33859641383 0.529784066405 0.523892611578} Si1 2 1 14 {} {0.423475886005 0.566775229752 0.409051435772} Si2 3 1 8 {} {0.351818650128 0.586473531833 0.599885852411} O1 4 1 8 {} {0.283557428054 0.528452612727 0.51670599678} O2 5 1 6 {} {0.357414789898 0.444478703726 0.55860742194} C2 6 1 6 {} {0.454494985569 0.486287320581 0.394361123552} C3 7 1 8 {} {0.436526879317 0.601620384675 0.508028449436} O3 8 1 8 {} {0.436555106906 0.61823711059 0.326041506606} O4 9 1 14 {} {0.233269430185 0.532653096185 0.558130569985} Si3 10 1 7 {} {0.213715839563 0.45458028709 0.592260380003} N1 11 1 14 {} {0.191225883055 0.446222612928 0.699729803134} Si4 12 1 14 {} {0.214138349984 0.386824674919 0.517139777446} Si5 13 1 7 {} {0.208054481671 0.407885339497 0.406681854734} N2 14 1 7 {} {0.140793116169 0.485226092184 0.720012115507} N3 15 1 1 {} {0.351947094238 0.520443159372 0.360885396831} H1 16 1 1 {} {0.346396681702 0.604595892396 0.396097927957} H2 17 1 1 {} {0.381738294112 0.604734900714 0.590391172866} H3 18 1 1 {} {0.348780259961 0.405887199246 0.50925717014} H4 19 1 1 {} {0.341698818503 0.430610645311 0.62227583136} H5 20 1 1 {} {0.393741466888 0.443260284984 0.568670802487} H6 21 1 1 {} {0.490560287208 0.495817998573 0.391471429428} H7 22 1 1 {} {0.444938937344 0.461927914891 0.331373965587} H8 23 1 1 {} {0.448148330108 0.450921028664 0.449011154493} H9 24 1 1 {} {0.467423713469 0.615581325226 0.513900669731} H10 25 1 1 {} {0.468533970609 0.618998573817 0.314073996149} H11 26 1 1 {} {0.231554379649 0.576906178801 0.638494020517} H12 27 1 1 {} {0.204261377699 0.560762026396 0.486523915406} H13 28 1 1 {} {0.18452494515 0.373120793946 0.714044886198} H14 29 1 1 {} {0.222795592395 0.475371579027 0.765825905499} H15 30 1 1 {} {0.257397852911 0.350126124053 0.523023340723} H16 31 1 1 {} {0.176492903527 0.342319418463 0.543884382341} H17 32 1 1 {} {0.235088995139 0.422670372107 0.370780680781} H18 33 1 1 {} {0.180105790864 0.43144537425 0.384678288666} H19 34 1 1 {} {0.139999932121 0.534856552882 0.734905151747} H20 35 1 1 {} {0.112755367564 0.471388119819 0.686603149801} H21 36 1 6 {} {0.629085240036 0.636354415513 0.349687303536} C4 37 1 14 {} {0.585941051722 0.574020580824 0.387131444582} Si6 38 1 14 {} {0.623345650316 0.724871636577 0.386229284593} Si7 39 1 8 {} {0.536098180428 0.611107229013 0.381690674513} O5 40 1 8 {} {0.586269470041 0.509594446527 0.320069802358} O6 41 1 6 {} {0.596660568112 0.542025491256 0.50207704515} C5 42 1 6 {} {0.64137933428 0.741809888178 0.503464470712} C6 43 1 8 {} {0.568460550449 0.739715646523 0.374875237519} O7 44 1 8 {} {0.651004349259 0.774243543276 0.316303509968} O8 45 1 14 {} {0.580092177408 0.449012055668 0.247184436342} Si8 46 1 7 {} {0.592682507719 0.370917435307 0.290285000748} N4 47 1 14 {} {0.549075439971 0.314516209299 0.313536521804} Si9 48 1 14 {} {0.647244623291 0.34560806636 0.315436687041} Si10 49 1 7 {} {0.688229804464 0.391878186687 0.264174565359} N5 50 1 7 {} {0.525221005024 0.271499765682 0.226498908476} N6 51 1 1 {} {0.662524525865 0.618086499055 0.368224484399} H22 52 1 1 {} {0.628129466828 0.637126071547 0.276056100662} H23 53 1 1 {} {0.539152100919 0.6601424318 0.377342264475} H24 54 1 1 {} {0.628734559496 0.51535032082 0.505171634542} H25 55 1 1 {} {0.570461936238 0.506598193897 0.522277031013} H26 56 1 1 {} {0.597514261105 0.582605867474 0.551618941387} H27 57 1 1 {} {0.636118035222 0.794583826509 0.521669911697} H28 58 1 1 {} {0.676958470902 0.730358832863 0.512896010766} H29 59 1 1 {} {0.622349220663 0.711246954536 0.551150388891} H30 60 1 1 {} {0.557791213123 0.785430677345 0.371848373855} H31 61 1 1 {} {0.668900103918 0.809935684167 0.341304572087} H32 62 1 1 {} {0.532504824444 0.446885858655 0.21833452344} H33 63 1 1 {} {0.609347329808 0.46506338844 0.169786066385} H34 64 1 1 {} {0.568988132664 0.263780029654 0.374727294932} H35 65 1 1 {} {0.512251116046 0.3523925736 0.35679648722} H36 66 1 1 {} {0.656536221957 0.35172017557 0.412892104798} H37 67 1 1 {} {0.651121015091 0.27421772849 0.287269930456} H38 68 1 1 {} {0.701660165981 0.432526918361 0.29450490535} H39 69 1 1 {} {0.69120751194 0.394764257743 0.196783964737} H40 70 1 1 {} {0.50286233783 0.294556074468 0.185751657796} H41 71 1 1 {} {0.542597110318 0.235931067086 0.192612743138} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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