#MD System 2.0 @Title neb0_image01 @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 {} {0.349261566427 0.559841903824 0.421599846683} C1 1 1 14 {} {0.330191715125 0.526807626075 0.532659153775} Si1 2 1 14 {} {0.404466937873 0.602015089399 0.417378781294} Si2 3 1 8 {} {0.333477378725 0.587078190647 0.607936257313} O1 4 1 8 {} {0.277233423085 0.50495192225 0.524679081153} O2 5 1 6 {} {0.361853158275 0.45086958195 0.568102604898} C2 6 1 6 {} {0.453580408573 0.544428121354 0.411137690869} C3 7 1 8 {} {0.406140034324 0.64625744939 0.512599072607} O3 8 1 8 {} {0.404813612607 0.653181982875 0.329857898022} O4 9 1 14 {} {0.224922796596 0.510469696558 0.555291967657} Si3 10 1 7 {} {0.20531796807 0.431751691438 0.586783242591} N1 11 1 14 {} {0.169313690016 0.427499742676 0.678695862329} Si4 12 1 14 {} {0.220925305368 0.36176305669 0.522756950961} Si5 13 1 7 {} {0.222123248098 0.374362865971 0.409221500086} N2 14 1 7 {} {0.121806546302 0.475845457189 0.671548840829} N3 15 1 1 {} {0.348827541012 0.519404906255 0.371574699062} H1 16 1 1 {} {0.324284128527 0.596944288044 0.399635118989} H2 17 1 1 {} {0.357250126761 0.619248135064 0.594834129332} H3 18 1 1 {} {0.358545066643 0.409858063523 0.519629060085} H4 19 1 1 {} {0.34921723118 0.432813243511 0.632630131056} H5 20 1 1 {} {0.397561935752 0.461900391349 0.576352264085} H6 21 1 1 {} {0.485374207221 0.572059496465 0.410424242855} H7 22 1 1 {} {0.452219858884 0.513788565036 0.350205186749} H8 23 1 1 {} {0.454535169347 0.510258823523 0.468590740878} H9 24 1 1 {} {0.431294952245 0.675789162519 0.522775053659} H10 25 1 1 {} {0.43313558711 0.661665738554 0.300791415761} H11 26 1 1 {} {0.219191668479 0.556142978629 0.633315701338} H12 27 1 1 {} {0.199436628311 0.537079690402 0.477562810802} H13 28 1 1 {} {0.156440134324 0.355781098767 0.686865240357} H14 29 1 1 {} {0.19237965318 0.451855797869 0.760541605498} H15 30 1 1 {} {0.266857976046 0.340064345656 0.547638414622} H16 31 1 1 {} {0.187796687485 0.308339259594 0.5430914406} H17 32 1 1 {} {0.248599335273 0.39819338135 0.381195491984} H18 33 1 1 {} {0.193653819154 0.384898715464 0.375161537149} H19 34 1 1 {} {0.121626732945 0.523470655074 0.695202317901} H20 35 1 1 {} {0.099149654878 0.469853104228 0.621776962097} H21 36 1 6 {} {0.592700858528 0.32278980103 0.310233429339} C4 37 1 14 {} {0.587914834465 0.356373467591 0.427191646547} Si6 38 1 14 {} {0.576741634629 0.233724075044 0.292346661949} Si7 39 1 8 {} {0.616516522473 0.307269655677 0.495270770913} O5 40 1 8 {} {0.61056263155 0.431377908848 0.432232461618} O6 41 1 6 {} {0.528645808337 0.36510690998 0.463797381555} C5 42 1 6 {} {0.515841612127 0.223044703191 0.268773712241} C6 43 1 8 {} {0.592093057268 0.195082973132 0.386587994402} O7 44 1 8 {} {0.606455201135 0.19666004251 0.212473388309} O8 45 1 14 {} {0.654309415887 0.47624776333 0.460849130846} Si8 46 1 7 {} {0.638819681308 0.557280319408 0.487974485045} N4 47 1 14 {} {0.645223965471 0.584881769859 0.598298779259} Si9 48 1 14 {} {0.614809322071 0.610902844155 0.408905396036} Si10 49 1 7 {} {0.625980064228 0.591494622717 0.299455823817} N5 50 1 7 {} {0.69813508783 0.604746369626 0.634848588584} N6 51 1 1 {} {0.573286748301 0.35455767504 0.264281401939} H22 52 1 1 {} {0.628034002846 0.32790777574 0.290641303922} H23 53 1 1 {} {0.615008655889 0.260146466144 0.47771549711} H24 54 1 1 {} {0.509513554681 0.398118135955 0.419276521757} H25 55 1 1 {} {0.527415683449 0.386516520924 0.531348794789} H26 56 1 1 {} {0.511855682252 0.316199957642 0.4661022729} H27 57 1 1 {} {0.506565638519 0.169919161657 0.264133623284} H28 58 1 1 {} {0.506560406944 0.247190445816 0.205412050623} H29 59 1 1 {} {0.495425247767 0.245913068454 0.321544413321} H30 60 1 1 {} {0.594812968819 0.146746526003 0.384286174051} H31 61 1 1 {} {0.593281371736 0.192724584788 0.15371417887} H32 62 1 1 {} {0.676332991425 0.44743648992 0.541517295758} H33 63 1 1 {} {0.686002173579 0.475800496167 0.384171508647} H34 64 1 1 {} {0.617761238733 0.646987588211 0.60486111759} H35 65 1 1 {} {0.628906035602 0.531841820217 0.65995966051} H36 66 1 1 {} {0.565088539476 0.610187798193 0.416616380719} H37 67 1 1 {} {0.631880596758 0.679712847949 0.4268656911} H38 68 1 1 {} {0.609464077025 0.553250101785 0.269182748309} H39 69 1 1 {} {0.65761416039 0.595170048742 0.275075302318} H40 70 1 1 {} {0.719443821864 0.567528901221 0.652493730687} H41 71 1 1 {} {0.715022788536 0.643752443565 0.60760466241} 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