#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 {} {0.354799878699 0.545402424012 0.42246178793} C1 1 1 14 {} {0.335735757088 0.512300370238 0.533482829752} Si1 2 1 14 {} {0.409893490096 0.587850748942 0.418171823038} Si2 3 1 8 {} {0.339062518932 0.572565191919 0.608752110258} O1 4 1 8 {} {0.282867098902 0.490244880727 0.525493363067} O2 5 1 6 {} {0.367415403816 0.436403718767 0.568901663584} C2 6 1 6 {} {0.458927650142 0.530400938134 0.411822952625} C3 7 1 8 {} {0.411633297973 0.631976144921 0.513474026341} O3 8 1 8 {} {0.410276177073 0.638807426309 0.33041620908} O4 9 1 14 {} {0.230487577995 0.495908825932 0.556119449505} Si3 10 1 7 {} {0.210861081369 0.417231084217 0.587570724496} N1 11 1 14 {} {0.174852644991 0.412969936895 0.679471498767} Si4 12 1 14 {} {0.226445425018 0.347217529967 0.523581650565} Si5 13 1 7 {} {0.227685964197 0.35947616947 0.409937424342} N2 14 1 7 {} {0.12731370918 0.461248942842 0.672370058133} N3 15 1 1 {} {0.35439163243 0.504976487123 0.372414848699} H1 16 1 1 {} {0.329837335272 0.582496996592 0.400428837546} H2 17 1 1 {} {0.362799283513 0.604774420049 0.595656852079} H3 18 1 1 {} {0.364075930392 0.395397389372 0.520434444132} H4 19 1 1 {} {0.354747635784 0.4183457792 0.633407321823} H5 20 1 1 {} {0.403121053314 0.447397578107 0.577158285243} H6 21 1 1 {} {0.490790865559 0.557787502964 0.411267296193} H7 22 1 1 {} {0.457480164586 0.499624930674 0.351035454909} H8 23 1 1 {} {0.459723858492 0.496411890667 0.469371295789} H9 24 1 1 {} {0.436878477163 0.661335897616 0.523585909043} H10 25 1 1 {} {0.43869744116 0.647276754441 0.30175759879} H11 26 1 1 {} {0.224767034892 0.541640306029 0.63406427739} H12 27 1 1 {} {0.205032460551 0.522578705838 0.478390419305} H13 28 1 1 {} {0.162005614962 0.341267657215 0.687661890006} H14 29 1 1 {} {0.197916313075 0.437376185333 0.761341481259} H15 30 1 1 {} {0.272383651854 0.325581127943 0.548488374854} H16 31 1 1 {} {0.1933027134 0.293825255514 0.543965142989} H17 32 1 1 {} {0.254100771635 0.383626797573 0.3821279919} H18 33 1 1 {} {0.199204898443 0.370347998928 0.37604601232} H19 34 1 1 {} {0.127165278402 0.508885805431 0.695989373093} H20 35 1 1 {} {0.104675103623 0.455325990964 0.622524168714} H21 36 1 6 {} {0.587199429642 0.33733118377 0.309412839698} C4 37 1 14 {} {0.58253391262 0.370612924102 0.42648315416} Si6 38 1 14 {} {0.571204117044 0.248261353528 0.291551768457} Si7 39 1 8 {} {0.611234472573 0.32168353385 0.494471529905} O5 40 1 8 {} {0.605000515062 0.445845077258 0.431387156548} O6 41 1 6 {} {0.523343772789 0.378972762131 0.463185646552} C5 42 1 6 {} {0.510321720028 0.237603708756 0.26797247622} C6 43 1 8 {} {0.586483843356 0.20955242919 0.385772703524} O7 44 1 8 {} {0.600896188518 0.211377093205 0.211577113578} O8 45 1 14 {} {0.648726943045 0.490625052149 0.46012362278} Si8 46 1 7 {} {0.633186934999 0.571719658599 0.487146471966} N4 47 1 14 {} {0.639707378021 0.599486237127 0.597580708799} Si9 48 1 14 {} {0.609285694389 0.625395379937 0.408192713396} Si10 49 1 7 {} {0.620496116035 0.605867966531 0.29864704} N5 50 1 7 {} {0.692488692495 0.619401815891 0.634197194285} N6 51 1 1 {} {0.56775234826 0.36907707916 0.263483943091} H22 52 1 1 {} {0.622516760449 0.342444389409 0.289806575216} H23 53 1 1 {} {0.609509678526 0.274567596972 0.476954411563} H24 54 1 1 {} {0.504411011118 0.411783849791 0.418267395394} H25 55 1 1 {} {0.521964093203 0.400843159133 0.530501662361} H26 56 1 1 {} {0.506432293393 0.330156945895 0.465557188889} H27 57 1 1 {} {0.50104129738 0.184472889336 0.263331948772} H28 58 1 1 {} {0.501027704663 0.261715516654 0.204598520607} H29 59 1 1 {} {0.489893235669 0.260425114906 0.320753282921} H30 60 1 1 {} {0.589257057376 0.161218148444 0.383476832075} H31 61 1 1 {} {0.587696122155 0.207234264192 0.152858801709} H32 62 1 1 {} {0.670765102784 0.461959950603 0.540723507313} H33 63 1 1 {} {0.680426763133 0.490321124731 0.383386472409} H34 64 1 1 {} {0.61218469942 0.661479598782 0.603966238131} H35 65 1 1 {} {0.62334786964 0.546449935541 0.658955049045} H36 66 1 1 {} {0.559503463484 0.624747513223 0.415690214873} H37 67 1 1 {} {0.626305829389 0.694285049808 0.425984799755} H38 68 1 1 {} {0.603984311628 0.56779663672 0.268356055826} H39 69 1 1 {} {0.651974359414 0.609698068674 0.274244263653} H40 70 1 1 {} {0.713870979162 0.582036377096 0.651668857412} H41 71 1 1 {} {0.709502076389 0.658391178514 0.606673293549} 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