#MD System 2.0 @Title neb0_image05 @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 {} {0.212930956491 0.527282437282 0.32249069537} C1 1 1 14 {} {0.266853404011 0.490282971318 0.280714483683} Si1 2 1 14 {} {0.166235293536 0.535728793536 0.241513331689} Si2 3 1 8 {} {0.279443567036 0.523306554902 0.182862046133} O1 4 1 8 {} {0.306788968501 0.510599396797 0.351659182912} O2 5 1 6 {} {0.264876892578 0.397095927917 0.273685025917} C2 6 1 6 {} {0.134688727144 0.45602553054 0.223776615702} C3 7 1 8 {} {0.190698643765 0.56163670828 0.147231725855} O3 8 1 8 {} {0.130879478508 0.596824235373 0.268500639658} O4 9 1 14 {} {0.358276488189 0.539505478339 0.356764874859} Si3 10 1 7 {} {0.392893860404 0.476485647458 0.398467948553} N1 11 1 14 {} {0.447117871261 0.474759256143 0.356861144405} Si4 12 1 14 {} {0.372627022728 0.422337860662 0.481289700111} Si5 13 1 7 {} {0.343518572221 0.460176205735 0.566661363442} N2 14 1 7 {} {0.46816892611 0.555076656807 0.361611205623} N3 15 1 1 {} {0.201312054459 0.498665566708 0.380961765008} H1 16 1 1 {} {0.220777051835 0.578120903573 0.346648466622} H2 17 1 1 {} {0.253942393336 0.543492530187 0.152119697172} H3 18 1 1 {} {0.25972241715 0.374089854116 0.33951276046} H4 19 1 1 {} {0.296597184785 0.378057083906 0.246933877568} H5 20 1 1 {} {0.238100670911 0.380014313387 0.228980269054} H6 21 1 1 {} {0.108175590039 0.462258386623 0.173726219838} H7 22 1 1 {} {0.119147405632 0.438311434133 0.285968658591} H8 23 1 1 {} {0.157085421249 0.416215567182 0.200154718868} H9 24 1 1 {} {0.172193787452 0.58471731553 0.104018914932} H10 25 1 1 {} {0.102493053458 0.584482776408 0.294566461329} H11 26 1 1 {} {0.374681899843 0.559468233141 0.266925515536} H12 27 1 1 {} {0.357179564356 0.598338753733 0.417841104447} H13 28 1 1 {} {0.471505906412 0.422929176852 0.409916770541} H14 29 1 1 {} {0.449550099161 0.457257730629 0.26023589455} H15 30 1 1 {} {0.341202051388 0.373214936468 0.440918899682} H16 31 1 1 {} {0.412152103776 0.388130784834 0.520419792839} H17 32 1 1 {} {0.311911367694 0.476676419808 0.555627632035} H18 33 1 1 {} {0.359538054609 0.490611096074 0.610601688711} H19 34 1 1 {} {0.492138996375 0.569385936019 0.317438625663} H20 35 1 1 {} {0.47383221962 0.577033983811 0.421768729838} H21 36 1 6 {} {0.647493912886 0.63868859796 0.490113027146} C4 37 1 14 {} {0.608161721827 0.574900446813 0.442622311721} Si6 38 1 14 {} {0.644938151052 0.725258533666 0.445258211877} Si7 39 1 8 {} {0.605249561118 0.583105410296 0.332966146985} O5 40 1 8 {} {0.627549501004 0.499972925531 0.466527804097} O6 41 1 6 {} {0.551503228818 0.581157968172 0.492892562148} C5 42 1 6 {} {0.597352595717 0.775665751087 0.490035524375} C6 43 1 8 {} {0.640591922314 0.714436376877 0.334814762292} O7 44 1 8 {} {0.692566398392 0.76659591348 0.460922926781} O8 45 1 14 {} {0.638122515756 0.422088986833 0.438646091694} Si8 46 1 7 {} {0.592795468522 0.369895811062 0.456747185052} N4 47 1 14 {} {0.573239097091 0.320664148893 0.368254813639} Si9 48 1 14 {} {0.568041259753 0.366567832873 0.563166774529} Si10 49 1 7 {} {0.603371181034 0.385369845561 0.650002708258} N5 50 1 7 {} {0.608177015216 0.257938718563 0.330822328697} N6 51 1 1 {} {0.643178288484 0.640075763667 0.563154423646} H22 52 1 1 {} {0.681515506731 0.619894372703 0.477692390605} H23 53 1 1 {} {0.617756499441 0.625262958438 0.310844100185} H24 54 1 1 {} {0.551283336184 0.571255311389 0.564966436292} H25 55 1 1 {} {0.530254167824 0.543354864627 0.460995255355} H26 56 1 1 {} {0.536553430707 0.630693181079 0.48091382309} H27 57 1 1 {} {0.596584898964 0.826087306168 0.460620040701} H28 58 1 1 {} {0.599397623007 0.781192287959 0.562977928075} H29 59 1 1 {} {0.565280276858 0.751524261612 0.474844055342} H30 60 1 1 {} {0.648648691755 0.751805347145 0.296846831709} H31 61 1 1 {} {0.692896127205 0.801613739501 0.50557376354} H32 62 1 1 {} {0.649635458306 0.417069984984 0.341902441291} H33 63 1 1 {} {0.677292373314 0.401778439978 0.493460265047} H34 64 1 1 {} {0.531462274039 0.288731695514 0.401146513979} H35 65 1 1 {} {0.565054893346 0.363534896774 0.288774842411} H36 66 1 1 {} {0.530862127836 0.416003953295 0.569673137529} H37 67 1 1 {} {0.550906779274 0.297125010276 0.575001011759} H38 68 1 1 {} {0.609848206683 0.433880539233 0.665154893516} H39 69 1 1 {} {0.630293846519 0.356284547334 0.663339440451} H40 70 1 1 {} {0.632834597704 0.269071345483 0.286642167633} H41 71 1 1 {} {0.617746952576 0.220159432587 0.372114755756} 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