#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 {} {0.207946223957 0.528249016147 0.313997369127} C1 1 1 14 {} {0.261681875204 0.490910855065 0.272410146336} Si1 2 1 14 {} {0.161304645097 0.536560321994 0.233034915375} Si2 3 1 8 {} {0.273909521344 0.52260607176 0.173581929507} O1 4 1 8 {} {0.301965375478 0.511501965068 0.342622085306} O2 5 1 6 {} {0.259611441764 0.397818508419 0.265858101119} C2 6 1 6 {} {0.129521740591 0.457071669338 0.215350223946} C3 7 1 8 {} {0.185749608341 0.562616508841 0.138832603848} O3 8 1 8 {} {0.126124985375 0.597544054299 0.261123475607} O4 9 1 14 {} {0.353299619111 0.540736921139 0.348988393408} Si3 10 1 7 {} {0.387900065699 0.477635604001 0.390408909095} N1 11 1 14 {} {0.441803442493 0.475309621132 0.34753770814} Si4 12 1 14 {} {0.367597881435 0.423179385547 0.473040731264} Si5 13 1 7 {} {0.338216508213 0.460726221751 0.558457323843} N2 14 1 7 {} {0.462626769111 0.555728497049 0.351997006864} N3 15 1 1 {} {0.196274255655 0.499708180256 0.37244587244} H1 16 1 1 {} {0.21591535688 0.5791388054 0.337760009091} H2 17 1 1 {} {0.248886259094 0.544448624028 0.1433293194} H3 18 1 1 {} {0.254387293535 0.37446127123 0.331343003909} H4 19 1 1 {} {0.291273491308 0.378595948712 0.239142975174} H5 20 1 1 {} {0.232847182427 0.381063067536 0.220953956505} H6 21 1 1 {} {0.103053963602 0.463602920332 0.165232866087} H7 22 1 1 {} {0.113857201957 0.439612977111 0.277587819564} H8 23 1 1 {} {0.151769456473 0.417011232121 0.19187967464} H9 24 1 1 {} {0.167014004552 0.585745726354 0.0960897796997} H10 25 1 1 {} {0.0975851073671 0.585076817023 0.286422364526} H11 26 1 1 {} {0.369751526213 0.560822894993 0.259543979628} H12 27 1 1 {} {0.352038055282 0.599280434247 0.409975293854} H13 28 1 1 {} {0.466321966241 0.423819054917 0.400780911091} H14 29 1 1 {} {0.444106187209 0.457321849759 0.251403221892} H15 30 1 1 {} {0.336221254398 0.374149393008 0.432436173582} H16 31 1 1 {} {0.407114861075 0.388868857386 0.511863217073} H17 32 1 1 {} {0.306686524861 0.477403294474 0.547047588659} H18 33 1 1 {} {0.354109441858 0.49175632682 0.602080676796} H19 34 1 1 {} {0.487152282714 0.56976453006 0.308934055447} H20 35 1 1 {} {0.467793967632 0.578098151038 0.411920839212} H21 36 1 6 {} {0.652879297421 0.638079506704 0.498314026738} C4 37 1 14 {} {0.613510334885 0.574213294166 0.451339530222} Si6 38 1 14 {} {0.650290053551 0.72453747853 0.453361038246} Si7 39 1 8 {} {0.609534546222 0.582592998445 0.34167373227} O5 40 1 8 {} {0.63347293216 0.499560086646 0.474974900015} O6 41 1 6 {} {0.557031101414 0.580099709002 0.502643302635} C5 42 1 6 {} {0.602532076454 0.774908345621 0.498177823707} C6 43 1 8 {} {0.646853873027 0.713208431353 0.342830178392} O7 44 1 8 {} {0.69770496111 0.766241574101 0.469321590349} O8 45 1 14 {} {0.643303835806 0.421409102068 0.447560182899} Si8 46 1 7 {} {0.597931250342 0.369056861219 0.465212819738} N4 47 1 14 {} {0.578370575941 0.319818582838 0.376864068357} Si9 48 1 14 {} {0.57285254713 0.365387638998 0.571077384221} Si10 49 1 7 {} {0.608701954225 0.384559923133 0.658185515475} N5 50 1 7 {} {0.612774230708 0.257101061634 0.338386242481} N6 51 1 1 {} {0.648514103864 0.639260056738 0.571334666399} H22 52 1 1 {} {0.687002214185 0.619775603427 0.485830744057} H23 53 1 1 {} {0.622704184237 0.624187468654 0.318898687474} H24 54 1 1 {} {0.556616285842 0.57103466952 0.574987116108} H25 55 1 1 {} {0.536239164365 0.541681900934 0.470772231946} H26 56 1 1 {} {0.541808920326 0.629244207995 0.489816451215} H27 57 1 1 {} {0.601633197421 0.825334468398 0.46870003835} H28 58 1 1 {} {0.604523314007 0.780526410381 0.571192885444} H29 59 1 1 {} {0.570383093117 0.750852297724 0.483269832143} H30 60 1 1 {} {0.653904121319 0.751010767403 0.304611420547} H31 61 1 1 {} {0.697945999053 0.801102571375 0.513961034507} H32 62 1 1 {} {0.654640162146 0.416296818976 0.350444503832} H33 63 1 1 {} {0.682552312933 0.401026332246 0.50221855165} H34 64 1 1 {} {0.536432256277 0.28835218019 0.40962812827} H35 65 1 1 {} {0.570014926367 0.362880435603 0.297281489294} H36 66 1 1 {} {0.535608733046 0.414558125831 0.578861818606} H37 67 1 1 {} {0.556234968139 0.295569912941 0.583658405091} H38 68 1 1 {} {0.61467611984 0.433011819513 0.673246605913} H39 69 1 1 {} {0.635320682712 0.355682091682 0.671967490741} H40 70 1 1 {} {0.637431504633 0.268258174481 0.294319866618} H41 71 1 1 {} {0.622328747467 0.218936282724 0.3794692265} 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