#MD System 2.0 @Title neb0_image04 @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 {} {0.210856710778 0.527629037633 0.318624610372} C1 1 1 14 {} {0.264402072279 0.490065821245 0.276686772109} Si1 2 1 14 {} {0.164122766863 0.536136691378 0.238019181678} Si2 3 1 8 {} {0.27701626536 0.522072393171 0.178208276601} O1 4 1 8 {} {0.304042282866 0.511481480416 0.347888029265} O2 5 1 6 {} {0.262641626073 0.396926131647 0.270673374884} C2 6 1 6 {} {0.132462030317 0.456461993432 0.220296046735} C3 7 1 8 {} {0.18829996417 0.562450405916 0.14356046952} O3 8 1 8 {} {0.128569511238 0.596790515363 0.265976931211} O4 9 1 14 {} {0.35560491507 0.540171635386 0.353073412478} Si3 10 1 7 {} {0.390008733648 0.476473500161 0.39416015793} N1 11 1 14 {} {0.443757471073 0.474528911037 0.350144546654} Si4 12 1 14 {} {0.370210658932 0.42230296536 0.478136072721} Si5 13 1 7 {} {0.34122254377 0.460561457392 0.562914464117} N2 14 1 7 {} {0.463666379441 0.555740176635 0.352265406331} N3 15 1 1 {} {0.199238121332 0.499237742237 0.37736736895} H1 16 1 1 {} {0.218897825979 0.578575219947 0.342424484989} H2 17 1 1 {} {0.251714094343 0.5433942593 0.148152958557} H3 18 1 1 {} {0.257323893114 0.373981009903 0.336414511547} H4 19 1 1 {} {0.294326121889 0.377867826381 0.243949216406} H5 20 1 1 {} {0.235897942185 0.380243765544 0.225773517692} H6 21 1 1 {} {0.105946751267 0.462816732084 0.170167460314} H7 22 1 1 {} {0.116860860924 0.439030953138 0.282650101509} H8 23 1 1 {} {0.154743763935 0.416388619309 0.196845101642} H9 24 1 1 {} {0.169809470934 0.585394395699 0.100752851516} H10 25 1 1 {} {0.100386124672 0.584034022478 0.291583692788} H11 26 1 1 {} {0.372134599951 0.560397704205 0.263054748268} H12 27 1 1 {} {0.354945988848 0.598643116876 0.414888942951} H13 28 1 1 {} {0.469722357399 0.424464569267 0.404954947684} H14 29 1 1 {} {0.445706484636 0.453987224072 0.254853974913} H15 30 1 1 {} {0.338928260101 0.373084030128 0.437858409462} H16 31 1 1 {} {0.409895987999 0.388752227447 0.516476025355} H17 32 1 1 {} {0.309489016405 0.47654788087 0.551816003366} H18 33 1 1 {} {0.357119303756 0.490860876518 0.606809908037} H19 34 1 1 {} {0.489366830607 0.5690381807 0.311039416911} H20 35 1 1 {} {0.46632346147 0.579470371001 0.411592091584} H21 36 1 6 {} {0.651212284112 0.639251478096 0.493819549651} C4 37 1 14 {} {0.611509707546 0.574763208764 0.448065996846} Si6 38 1 14 {} {0.647607317035 0.72558861646 0.448140434742} Si7 39 1 8 {} {0.606175207239 0.583187260554 0.33879257886} O5 40 1 8 {} {0.631461560008 0.499867029385 0.470608933996} O6 41 1 6 {} {0.555424254857 0.58035496674 0.501158949606} C5 42 1 6 {} {0.599676210407 0.775339655362 0.492920629669} C6 43 1 8 {} {0.643595791889 0.713916640472 0.338096930698} O7 44 1 8 {} {0.694706525692 0.767850780051 0.4635252817} O8 45 1 14 {} {0.640759700168 0.421490816247 0.442450843394} Si8 46 1 7 {} {0.594983289783 0.37018756791 0.460418570743} N4 47 1 14 {} {0.575267484706 0.320938503956 0.371669265756} Si9 48 1 14 {} {0.570517029483 0.366100596142 0.566828426374} Si10 49 1 7 {} {0.605388232181 0.384981475788 0.653553528796} N5 50 1 7 {} {0.610174315684 0.257884998282 0.334148784629} N6 51 1 1 {} {0.646993206127 0.640674395214 0.56687076946} H22 52 1 1 {} {0.685448257547 0.62136310863 0.481643273515} H23 53 1 1 {} {0.619171876041 0.6245350164 0.315099031254} H24 54 1 1 {} {0.556435358071 0.573024937103 0.573765980397} H25 55 1 1 {} {0.534425302061 0.540605891829 0.472822710125} H26 56 1 1 {} {0.539326947014 0.628677014416 0.487144815824} H27 57 1 1 {} {0.598849454291 0.825788319062 0.463510703071} H28 58 1 1 {} {0.601762669898 0.780987965832 0.565922979781} H29 59 1 1 {} {0.567560171312 0.751253077434 0.477935729882} H30 60 1 1 {} {0.650948006471 0.751477987338 0.299705325991} H31 61 1 1 {} {0.695088297163 0.802316093594 0.509765872643} H32 62 1 1 {} {0.652019338151 0.416659581965 0.345858494501} H33 63 1 1 {} {0.679685603153 0.400589850283 0.497351450537} H34 64 1 1 {} {0.533664753162 0.28891575565 0.40455057472} H35 65 1 1 {} {0.567193017369 0.363607519804 0.29218363889} H36 66 1 1 {} {0.532791804732 0.414866890204 0.573645416038} H37 67 1 1 {} {0.55354379977 0.296197050279 0.578334194053} H38 68 1 1 {} {0.611994788345 0.433570820166 0.668482747063} H39 69 1 1 {} {0.632647982746 0.356188175764 0.667143421236} H40 70 1 1 {} {0.634680664675 0.268718620823 0.289290001386} H41 71 1 1 {} {0.619326412568 0.219577408608 0.374528811982} 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