#MD System 2.0 @Title neb0_image03 @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 {} {0.207725070441 0.528227132679 0.314041914872} C1 1 1 14 {} {0.261640299133 0.491198271709 0.272243443448} Si1 2 1 14 {} {0.161042975799 0.536697985387 0.233052044277} Si2 3 1 8 {} {0.274163136116 0.52411670998 0.174280910843} O1 4 1 8 {} {0.301611822872 0.51149524647 0.343062707542} O2 5 1 6 {} {0.259627516545 0.398024994491 0.265293892674} C2 6 1 6 {} {0.129449701172 0.457024199606 0.21528520939} C3 7 1 8 {} {0.185528499359 0.562549586074 0.138766947538} O3 8 1 8 {} {0.125720488754 0.597836833121 0.260127096368} O4 9 1 14 {} {0.353121233613 0.540465548465 0.348395817152} Si3 10 1 7 {} {0.387818844184 0.4775203702 0.390031620407} N1 11 1 14 {} {0.44214920947 0.475885619084 0.348787215849} Si4 12 1 14 {} {0.367440125433 0.423344729593 0.472769530718} Si5 13 1 7 {} {0.338290615817 0.461081736933 0.55815048439} N2 14 1 7 {} {0.463905426559 0.555750097306 0.354605874252} N3 15 1 1 {} {0.196091199976 0.499636556674 0.372503752469} H1 16 1 1 {} {0.215571035403 0.579084974442 0.338136469504} H2 17 1 1 {} {0.248702655917 0.544472539962 0.143613364725} H3 18 1 1 {} {0.254470138879 0.374992318858 0.331106074552} H4 19 1 1 {} {0.291352757745 0.378998030812 0.238520322858} H5 20 1 1 {} {0.232862113251 0.380992925164 0.220551059681} H6 21 1 1 {} {0.102942684383 0.463260399383 0.165232618187} H7 22 1 1 {} {0.113899143863 0.439321551963 0.277480457668} H8 23 1 1 {} {0.151838823858 0.417181242799 0.191697937938} H9 24 1 1 {} {0.166998077079 0.585664460892 0.0956309484451} H10 25 1 1 {} {0.0973090487536 0.585452820675 0.286078541869} H11 26 1 1 {} {0.369513046564 0.560500406277 0.258539932599} H12 27 1 1 {} {0.351952892335 0.599343765208 0.409472563457} H13 28 1 1 {} {0.466277296424 0.4235970549 0.401525848122} H14 29 1 1 {} {0.44432291365 0.458424451196 0.252013154013} H15 30 1 1 {} {0.335996172837 0.374176862274 0.432419722215} H16 31 1 1 {} {0.406935156548 0.389055794271 0.511958571831} H17 32 1 1 {} {0.306690906009 0.477594476878 0.54713744104} H18 33 1 1 {} {0.354283507675 0.491573944486 0.602097616552} H19 34 1 1 {} {0.487105305889 0.57048638729 0.309115441277} H20 35 1 1 {} {0.469613923066 0.577890320402 0.41459706812} H21 36 1 6 {} {0.652580169197 0.637663854781 0.498599210055} C4 37 1 14 {} {0.613121082727 0.573863244347 0.450826735644} Si6 38 1 14 {} {0.65017741685 0.724307018015 0.453730178215} Si7 39 1 8 {} {0.610528659179 0.582131083587 0.34118908022} O5 40 1 8 {} {0.632863984254 0.499081898638 0.475027092425} O6 41 1 6 {} {0.556157615092 0.579911012783 0.500368346552} C5 42 1 6 {} {0.602573295591 0.774720625586 0.498474624887} C6 43 1 8 {} {0.646044368942 0.713418648769 0.343238953291} O7 44 1 8 {} {0.697773181579 0.765682320234 0.469451307117} O8 45 1 14 {} {0.643323794502 0.421155291886 0.447098458794} Si8 46 1 7 {} {0.598023255957 0.369038671763 0.465490223422} N4 47 1 14 {} {0.578436802999 0.319655368485 0.376616601315} Si9 48 1 14 {} {0.573161454537 0.36551858454 0.5713391841} Si10 49 1 7 {} {0.608676393804 0.384463741509 0.6587320457} N5 50 1 7 {} {0.613330869142 0.257081066411 0.339270495221} N6 51 1 1 {} {0.648394370751 0.639136344107 0.571669465715} H22 52 1 1 {} {0.686644601396 0.618949349271 0.486136070239} H23 53 1 1 {} {0.622999444615 0.624345996837 0.319204541923} H24 54 1 1 {} {0.55618109594 0.570126987399 0.572501234568} H25 55 1 1 {} {0.534347574011 0.542707698517 0.468491653393} H26 56 1 1 {} {0.54156737325 0.629772860185 0.489112202249} H27 57 1 1 {} {0.601795909365 0.825136433538 0.469070181546} H28 58 1 1 {} {0.604611663952 0.7802596906 0.57141733409} H29 59 1 1 {} {0.570491129434 0.750577087771 0.48332335561} H30 60 1 1 {} {0.65388788233 0.75089473117 0.305248127083} H31 61 1 1 {} {0.698092089159 0.800699229751 0.514055381445} H32 62 1 1 {} {0.654836690503 0.41611653491 0.350445921345} H33 63 1 1 {} {0.682528932725 0.400801188838 0.501986839615} H34 64 1 1 {} {0.53663289619 0.287823299072 0.409608556557} H35 65 1 1 {} {0.570240496347 0.362618198313 0.297198007672} H36 66 1 1 {} {0.536067662199 0.414954443958 0.578122115422} H37 67 1 1 {} {0.556160836355 0.296122049174 0.583504800045} H38 68 1 1 {} {0.615042988833 0.432951991311 0.673565278829} H39 69 1 1 {} {0.6354948577 0.355377082563 0.671825503115} H40 70 1 1 {} {0.637999921212 0.268129390027 0.295035946647} H41 71 1 1 {} {0.622923338688 0.21918954762 0.380509441143} 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