#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 {} {0.354800423424 0.545416621457 0.422455820477} C1 1 1 14 {} {0.335742061137 0.512355234925 0.53348364849} Si1 2 1 14 {} {0.40993552048 0.58776081437 0.418196004709} Si2 3 1 8 {} {0.339034297218 0.572595828518 0.608745219038} O1 4 1 8 {} {0.282840219488 0.490309225527 0.525512660629} O2 5 1 6 {} {0.367407664118 0.436433519233 0.568896299662} C2 6 1 6 {} {0.458971216772 0.530277879404 0.411875156854} C3 7 1 8 {} {0.411634043919 0.631966367938 0.51342417032} O3 8 1 8 {} {0.410290939516 0.638681733521 0.330440836815} O4 9 1 14 {} {0.230495689869 0.495953481427 0.556129774238} Si3 10 1 7 {} {0.210860217314 0.417270446521 0.587578324969} N1 11 1 14 {} {0.174840589013 0.412981551894 0.679461779156} Si4 12 1 14 {} {0.226449106064 0.347252711372 0.523598952815} Si5 13 1 7 {} {0.227676433887 0.359547055184 0.409964641585} N2 14 1 7 {} {0.127307037892 0.461272301302 0.67232493958} N3 15 1 1 {} {0.354373077363 0.504989496866 0.372408209525} H1 16 1 1 {} {0.329850568865 0.582535350419 0.40042952267} H2 17 1 1 {} {0.362801509256 0.6048149657 0.595664868269} H3 18 1 1 {} {0.364071602794 0.395427823263 0.520417452926} H4 19 1 1 {} {0.354735755095 0.41837123519 0.633396711399} H5 20 1 1 {} {0.403113602947 0.447417865199 0.577161787812} H6 21 1 1 {} {0.490819287926 0.557722719042 0.411250517264} H7 22 1 1 {} {0.457542465191 0.499543886632 0.351027694894} H8 23 1 1 {} {0.459834235361 0.496233420989 0.46935816651} H9 24 1 1 {} {0.436883260757 0.661324014522 0.523596994483} H10 25 1 1 {} {0.438711140358 0.647276267716 0.301720768346} H11 26 1 1 {} {0.224750071993 0.541668341622 0.634098335579} H12 27 1 1 {} {0.205014951618 0.522594731671 0.478410228429} H13 28 1 1 {} {0.161979880394 0.341281206427 0.687627673303} H14 29 1 1 {} {0.19789534233 0.437363846449 0.761341074595} H15 30 1 1 {} {0.272381760496 0.325606960003 0.548511156031} H16 31 1 1 {} {0.193309399871 0.293859858083 0.54395332694} H17 32 1 1 {} {0.254105982902 0.383657456986 0.382114066489} H18 33 1 1 {} {0.199207370773 0.370355838903 0.376046081913} H19 34 1 1 {} {0.127147978738 0.508901293514 0.696006035992} H20 35 1 1 {} {0.10466407799 0.455350092332 0.622515814919} H21 36 1 6 {} {0.587190290255 0.337298241242 0.30942230208} C4 37 1 14 {} {0.582487014423 0.370663865891 0.426462463888} Si6 38 1 14 {} {0.57120856573 0.248223598841 0.291549137695} Si7 39 1 8 {} {0.611160003774 0.321675079619 0.494466829425} O5 40 1 8 {} {0.605010024511 0.445833197602 0.431395933639} O6 41 1 6 {} {0.523287447473 0.37912531191 0.463123469712} C5 42 1 6 {} {0.510324288839 0.237579364395 0.267945846096} C6 43 1 8 {} {0.586489672483 0.209521252765 0.385783191672} O7 44 1 8 {} {0.60090297152 0.21129772804 0.211583838791} O8 45 1 14 {} {0.648744879835 0.490628990778 0.460125561197} Si8 46 1 7 {} {0.63320917669 0.571718758747 0.48712847706} N4 47 1 14 {} {0.639640873435 0.599419790103 0.59755068944} Si9 48 1 14 {} {0.609327936624 0.625381520338 0.40805556127} Si10 49 1 7 {} {0.620411000166 0.606048167208 0.298601079071} N5 50 1 7 {} {0.692593477294 0.619333841178 0.63401989894} N6 51 1 1 {} {0.56775207043 0.369043570461 0.263480236019} H22 52 1 1 {} {0.622510144232 0.342414976537 0.289825882386} H23 53 1 1 {} {0.609494024304 0.274591222763 0.47695873244} H24 54 1 1 {} {0.504302699087 0.411974920876 0.418370828575} H25 55 1 1 {} {0.521949625571 0.400889301996 0.530524511311} H26 56 1 1 {} {0.506401529478 0.330298222117 0.465509535271} H27 57 1 1 {} {0.501020825645 0.184454399911 0.263299581965} H28 58 1 1 {} {0.501047649663 0.261706838289 0.204572454403} H29 59 1 1 {} {0.48989623462 0.260428416602 0.320707499027} H30 60 1 1 {} {0.58922573383 0.161198175147 0.383505535105} H31 61 1 1 {} {0.587712027992 0.207195084905 0.152893209164} H32 62 1 1 {} {0.670769505622 0.461927507266 0.540726962627} H33 63 1 1 {} {0.68045183563 0.490295193313 0.383405532963} H34 64 1 1 {} {0.612206787378 0.661489848125 0.604064563496} H35 65 1 1 {} {0.623364794245 0.546438829708 0.65910466877} H36 66 1 1 {} {0.559544655268 0.62466396326 0.41573617856} H37 67 1 1 {} {0.626313645937 0.694261785779 0.426105231094} H38 68 1 1 {} {0.604027259786 0.567711211291 0.26840207889} H39 69 1 1 {} {0.652057151753 0.609687948313 0.274203398997} H40 70 1 1 {} {0.713851735917 0.582050008029 0.65165211625} H41 71 1 1 {} {0.709465633887 0.658284767509 0.606678567901} 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