#MD System 2.0 @Title neb0_image07 @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 {} {0.221543493594 0.525799456582 0.336929486487} C1 1 1 14 {} {0.274382374862 0.488052177869 0.294885554749} Si1 2 1 14 {} {0.175212077141 0.534680931912 0.256949846677} Si2 3 1 8 {} {0.288037642188 0.518001073259 0.195945969244} O1 4 1 8 {} {0.309794803846 0.513935356421 0.371316675802} O2 5 1 6 {} {0.274465288626 0.394931678054 0.290279057661} C2 6 1 6 {} {0.144376246443 0.454507615493 0.23902805127} C3 7 1 8 {} {0.19995121858 0.561980112684 0.163831129101} O3 8 1 8 {} {0.139711733309 0.594575155268 0.286271742935} O4 9 1 14 {} {0.362024383956 0.535082654839 0.370153823005} Si3 10 1 7 {} {0.394403005821 0.466932051851 0.401525826476} N1 11 1 14 {} {0.443284526109 0.468491992121 0.342019409327} Si4 12 1 14 {} {0.379856573146 0.417820261297 0.494518668531} Si5 13 1 7 {} {0.352874362804 0.457696022411 0.580809942846} N2 14 1 7 {} {0.445977770503 0.552243962147 0.319055750408} N3 15 1 1 {} {0.210910495344 0.497333940458 0.396051383295} H1 16 1 1 {} {0.230963579522 0.576016762565 0.360847878573} H2 17 1 1 {} {0.263685341127 0.541552213237 0.166004787764} H3 18 1 1 {} {0.269150570323 0.371769161834 0.355905468294} H4 19 1 1 {} {0.306215574177 0.375955083139 0.263590321794} H5 20 1 1 {} {0.247871604075 0.377645048265 0.245112964796} H6 21 1 1 {} {0.117859107856 0.460712186968 0.189052572807} H7 22 1 1 {} {0.128846226958 0.437538524227 0.301628745986} H8 23 1 1 {} {0.166584254169 0.414259619255 0.216035700206} H9 24 1 1 {} {0.180965219697 0.583908413489 0.119662770826} H10 25 1 1 {} {0.111525505321 0.580459159798 0.31226131918} H11 26 1 1 {} {0.375805888738 0.556103396804 0.279099897302} H12 27 1 1 {} {0.368219218817 0.593447954249 0.432038203481} H13 28 1 1 {} {0.480557289541 0.448796529171 0.399371965895} H14 29 1 1 {} {0.446554807944 0.423001690057 0.260797160548} H15 30 1 1 {} {0.348474171103 0.365150190081 0.46519169026} H16 31 1 1 {} {0.420447389616 0.387279974941 0.534460836659} H17 32 1 1 {} {0.321327551592 0.474675997322 0.57256877762} H18 33 1 1 {} {0.368481074854 0.487985161156 0.625497248982} H19 34 1 1 {} {0.477279958874 0.573316289598 0.31797408127} H20 35 1 1 {} {0.428241874718 0.587015276 0.340872304928} H21 36 1 6 {} {0.654039637249 0.644007614553 0.475350759903} C4 37 1 14 {} {0.610971090494 0.57769153272 0.442619492838} Si6 38 1 14 {} {0.64060759015 0.729512292805 0.428815377377} Si7 39 1 8 {} {0.589031455515 0.589452484521 0.342206698255} O5 40 1 8 {} {0.631110541205 0.501791886939 0.452025062254} O6 41 1 6 {} {0.564313847971 0.580623311534 0.522625478265} C5 42 1 6 {} {0.589554842891 0.775358307105 0.473855429591} C6 43 1 8 {} {0.632888921853 0.717833384265 0.319100661744} O7 44 1 8 {} {0.684280809389 0.780804895814 0.439229391218} O8 45 1 14 {} {0.631536369023 0.422785568181 0.424058516617} Si8 46 1 7 {} {0.583993854779 0.374051046746 0.441772596482} N4 47 1 14 {} {0.563815499304 0.322779107242 0.353302633471} Si9 48 1 14 {} {0.55932548808 0.367491317694 0.547367493708} Si10 49 1 7 {} {0.595783001517 0.386165018701 0.635664456509} N5 50 1 7 {} {0.5977511028 0.259967347089 0.314234328991} N6 51 1 1 {} {0.64780680751 0.647342679208 0.548022152258} H22 52 1 1 {} {0.690592396182 0.638972112871 0.472343975036} H23 53 1 1 {} {0.601650704873 0.623907534333 0.303733624189} H24 54 1 1 {} {0.573536235675 0.597238594258 0.58740183646} H25 55 1 1 {} {0.549794052776 0.529494883765 0.527727038144} H26 56 1 1 {} {0.537039052975 0.609057806196 0.496647155548} H27 57 1 1 {} {0.587811575842 0.825979326096 0.444429239639} H28 58 1 1 {} {0.590393969771 0.78266165191 0.546534134239} H29 59 1 1 {} {0.557097430047 0.752086604994 0.458498622656} H30 60 1 1 {} {0.638363150065 0.753911812239 0.277530497629} H31 61 1 1 {} {0.684503856674 0.809188628223 0.490648000555} H32 62 1 1 {} {0.640258232244 0.416380114214 0.326125337081} H33 63 1 1 {} {0.669619211841 0.397611562145 0.477844771302} H34 64 1 1 {} {0.521938557877 0.290228813811 0.385858280608} H35 65 1 1 {} {0.55526937155 0.36575561345 0.272948777602} H36 66 1 1 {} {0.522812228211 0.416550110844 0.560164387962} H37 67 1 1 {} {0.541952671237 0.297962071368 0.559442892638} H38 68 1 1 {} {0.600354326873 0.434599256791 0.651652756512} H39 69 1 1 {} {0.622888191814 0.35825720862 0.649515787418} H40 70 1 1 {} {0.62232893935 0.270543708081 0.269464629309} H41 71 1 1 {} {0.606800619972 0.22060454627 0.353498638514} 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