#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 {} {0.205444389989 0.528987867872 0.309400364212} C1 1 1 14 {} {0.259138292164 0.491308625323 0.26808828775} Si1 2 1 14 {} {0.158412889784 0.537098325197 0.229081446549} Si2 3 1 8 {} {0.271616867654 0.522857880821 0.169258386937} O1 4 1 8 {} {0.299437440552 0.512156130681 0.338586750033} O2 5 1 6 {} {0.256941144425 0.398223757715 0.262026343808} C2 6 1 6 {} {0.126703995437 0.457485852105 0.211522936593} C3 7 1 8 {} {0.182395794235 0.562764791052 0.134285048816} O3 8 1 8 {} {0.123257034616 0.598051680519 0.257688881321} O4 9 1 14 {} {0.350722695558 0.541232298227 0.344749758675} Si3 10 1 7 {} {0.385594913069 0.478476804349 0.386392166935} N1 11 1 14 {} {0.439636870012 0.475855936939 0.343947816203} Si4 12 1 14 {} {0.365374104003 0.423935795396 0.468940639667} Si5 13 1 7 {} {0.335679837379 0.461091283606 0.554060263134} N2 14 1 7 {} {0.46179913329 0.55540722426 0.349310104614} N3 15 1 1 {} {0.19376076784 0.500929150413 0.368278369431} H1 16 1 1 {} {0.213273434529 0.579944939998 0.333044884752} H2 17 1 1 {} {0.246518042761 0.54441297858 0.139172924949} H3 18 1 1 {} {0.251510665759 0.374858188638 0.327537137878} H4 19 1 1 {} {0.288600063872 0.378994232983 0.235284279971} H5 20 1 1 {} {0.230196097597 0.381638811031 0.216880580939} H6 21 1 1 {} {0.100401777745 0.464110495225 0.16110639262} H7 22 1 1 {} {0.110856780787 0.439866905601 0.273435623437} H8 23 1 1 {} {0.148970522216 0.417501834681 0.187989368369} H9 24 1 1 {} {0.163688252626 0.586417502894 0.0917488041585} H10 25 1 1 {} {0.0947530666067 0.585260516548 0.283045409432} H11 26 1 1 {} {0.367379692881 0.561701951003 0.255308342015} H12 27 1 1 {} {0.349353198357 0.599862867067 0.406045836642} H13 28 1 1 {} {0.46365936912 0.42319444522 0.39617610225} H14 29 1 1 {} {0.441423750585 0.45791356674 0.247399043773} H15 30 1 1 {} {0.334141170299 0.374669259657 0.428022398313} H16 31 1 1 {} {0.404897324203 0.389758341824 0.507953621675} H17 32 1 1 {} {0.304097950845 0.476979607654 0.542032253228} H18 33 1 1 {} {0.35111209571 0.492472467764 0.597859981355} H19 34 1 1 {} {0.485272890013 0.570124009207 0.304249102154} H20 35 1 1 {} {0.466553216666 0.578424242155 0.408799353754} H21 36 1 6 {} {0.655409697815 0.637780193197 0.502553833161} C4 37 1 14 {} {0.615777314556 0.573495143201 0.456329874428} Si6 38 1 14 {} {0.652528883507 0.724410013955 0.457633944708} Si7 39 1 8 {} {0.611757401168 0.582034498763 0.346789933354} O5 40 1 8 {} {0.636037445472 0.498988917941 0.479425105718} O6 41 1 6 {} {0.558903665479 0.57925228323 0.506652323534} C5 42 1 6 {} {0.604919238982 0.774785348284 0.502612699976} C6 43 1 8 {} {0.648118485391 0.713080486053 0.347167396278} O7 44 1 8 {} {0.699929847022 0.766529340674 0.472204368246} O8 45 1 14 {} {0.646258543434 0.420993217135 0.451544914762} Si8 46 1 7 {} {0.60093546534 0.368546424928 0.46928030576} N4 47 1 14 {} {0.580998795502 0.319683482852 0.380169641419} Si9 48 1 14 {} {0.576196161409 0.364410270855 0.575075819531} Si10 49 1 7 {} {0.611557276125 0.384127134169 0.661560091719} N5 50 1 7 {} {0.615187595849 0.256369293052 0.341350345413} N6 51 1 1 {} {0.651593028665 0.639088895211 0.57570424095} H22 52 1 1 {} {0.689589167008 0.619680254345 0.489306812547} H23 53 1 1 {} {0.624914540593 0.62351257444 0.32377198486} H24 54 1 1 {} {0.55876180718 0.570538606721 0.579057252588} H25 55 1 1 {} {0.537488819161 0.541228274112 0.47544386649} H26 56 1 1 {} {0.543987522308 0.628560963645 0.493870782495} H27 57 1 1 {} {0.604215914055 0.825154376579 0.47305671866} H28 58 1 1 {} {0.607127908654 0.780544429078 0.575497829008} H29 59 1 1 {} {0.572755392748 0.750727413869 0.487882563357} H30 60 1 1 {} {0.656594870976 0.750205481626 0.308893715708} H31 61 1 1 {} {0.700453304228 0.800642757175 0.517636033343} H32 62 1 1 {} {0.657634256994 0.415877862603 0.35491815707} H33 63 1 1 {} {0.685450159111 0.40063185544 0.506496141957} H34 64 1 1 {} {0.539176398838 0.288585398607 0.413855156565} H35 65 1 1 {} {0.573092224656 0.363084726623 0.300969157526} H36 66 1 1 {} {0.538397109827 0.412700961158 0.582669742536} H37 67 1 1 {} {0.559600670099 0.294621903308 0.587464024396} H38 68 1 1 {} {0.617147614623 0.433061977728 0.677848767835} H39 69 1 1 {} {0.638373041433 0.355237105408 0.676609513383} H40 70 1 1 {} {0.639795565999 0.267221944255 0.297716336771} H41 71 1 1 {} {0.624437273445 0.217938535493 0.38207994173} 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