#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 {} {0.217987231894 0.526325656315 0.33073165243} C1 1 1 14 {} {0.271928372377 0.489360548983 0.288880971596} Si1 2 1 14 {} {0.171281087173 0.53485084491 0.249761967869} Si2 3 1 8 {} {0.284552260736 0.522574529911 0.191141676762} O1 4 1 8 {} {0.311872173535 0.509627859058 0.359900406479} O2 5 1 6 {} {0.269952881965 0.396162332467 0.281871168074} C2 6 1 6 {} {0.139754505106 0.455123147334 0.231980726553} C3 7 1 8 {} {0.195784671648 0.560643644058 0.155457914621} O3 8 1 8 {} {0.135935845674 0.596019173292 0.276590376103} O4 9 1 14 {} {0.36337153454 0.538537928575 0.364947339271} Si3 10 1 7 {} {0.398117635594 0.47563096283 0.406582746476} N1 11 1 14 {} {0.452566187497 0.474106439285 0.36575035243} Si4 12 1 14 {} {0.377731881283 0.421444404279 0.489382073283} Si5 13 1 7 {} {0.348618731501 0.459278300096 0.574788467075} N2 14 1 7 {} {0.474538172849 0.553840768643 0.371936401709} N3 15 1 1 {} {0.206368513655 0.497733054265 0.38923921261} H1 16 1 1 {} {0.225800867412 0.57716451127 0.354934199749} H2 17 1 1 {} {0.258969508835 0.542560617159 0.160400523053} H3 18 1 1 {} {0.264797163354 0.373228903351 0.347759389207} H4 19 1 1 {} {0.301678730103 0.377190647009 0.25507332711} H5 20 1 1 {} {0.243176781688 0.379066408023 0.237158224783} H6 21 1 1 {} {0.113232170342 0.461284053398 0.181932326119} H7 22 1 1 {} {0.12422163633 0.437357986364 0.294151415507} H8 23 1 1 {} {0.162162155394 0.415324558846 0.208354450857} H9 24 1 1 {} {0.177307125203 0.583755552457 0.112216829488} H10 25 1 1 {} {0.107558790477 0.583641353514 0.302698736612} H11 26 1 1 {} {0.379770102653 0.558526578022 0.275012706487} H12 27 1 1 {} {0.362240265622 0.597424049436 0.426038470668} H13 28 1 1 {} {0.476576194527 0.421677058399 0.418366518796} H14 29 1 1 {} {0.454666165781 0.456780886885 0.268931500664} H15 30 1 1 {} {0.346246469318 0.372274835185 0.449123663357} H16 31 1 1 {} {0.417199127106 0.387210148284 0.528699591269} H17 32 1 1 {} {0.316995653917 0.475737993594 0.563855006627} H18 33 1 1 {} {0.36464286169 0.489642549901 0.61882130228} H19 34 1 1 {} {0.49739656254 0.568754612507 0.325874600797} H20 35 1 1 {} {0.480354726622 0.575964237662 0.431898803915} H21 36 1 6 {} {0.642209578819 0.639478611644 0.481974296924} C4 37 1 14 {} {0.602717206536 0.575637429226 0.434039063244} Si6 38 1 14 {} {0.639841556288 0.726114384653 0.437105672414} Si7 39 1 8 {} {0.600451382819 0.583916451137 0.324392628947} O5 40 1 8 {} {0.622402443618 0.500878311881 0.458309715618} O6 41 1 6 {} {0.54561706027 0.58178214041 0.483066677809} C5 42 1 6 {} {0.592267047581 0.776565675769 0.481821133858} C6 43 1 8 {} {0.635521281434 0.715382563305 0.32665485275} O7 44 1 8 {} {0.68748852963 0.767471523124 0.45278275228} O8 45 1 14 {} {0.633029561758 0.423021016818 0.430418951474} Si8 46 1 7 {} {0.587693231769 0.370824463727 0.448533684617} N4 47 1 14 {} {0.568136599249 0.321629764862 0.360026661364} Si9 48 1 14 {} {0.563039948538 0.367533373841 0.555060871601} Si10 49 1 7 {} {0.598233243817 0.386283071102 0.641989174659} N5 50 1 7 {} {0.603187873205 0.258933072195 0.322765861956} N6 51 1 1 {} {0.638069901803 0.641018540641 0.555049608863} H22 52 1 1 {} {0.676270309052 0.620653192017 0.469513816743} H23 53 1 1 {} {0.612750616007 0.626278781097 0.302590126945} H24 54 1 1 {} {0.545797801459 0.571806814812 0.555213648546} H25 55 1 1 {} {0.523536322381 0.544836381839 0.45129022583} H26 56 1 1 {} {0.531196274548 0.631755902852 0.472250096039} H27 57 1 1 {} {0.591521172858 0.827004732661 0.452449328949} H28 58 1 1 {} {0.594331839764 0.78209044036 0.55475173253} H29 59 1 1 {} {0.560205388461 0.752398148796 0.46662054742} H30 60 1 1 {} {0.643573184853 0.752757370938 0.288701724922} H31 61 1 1 {} {0.687817425943 0.802521788354 0.497398985503} H32 62 1 1 {} {0.644575570812 0.417954524629 0.333687835446} H33 63 1 1 {} {0.672206518981 0.402634879951 0.485202849084} H34 64 1 1 {} {0.526367212374 0.289593234296 0.392917609977} H35 65 1 1 {} {0.559980765549 0.364478521174 0.280449811286} H36 66 1 1 {} {0.525850927061 0.416923595288 0.561219399731} H37 67 1 1 {} {0.545817149447 0.298131800741 0.566746036652} H38 68 1 1 {} {0.604819361467 0.434874454485 0.65695259171} H39 69 1 1 {} {0.625246988389 0.357174201234 0.655079008437} H40 70 1 1 {} {0.627807660617 0.269982132459 0.278518966746} H41 71 1 1 {} {0.612744174557 0.22115452352 0.364017136255} 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