#MD System 2.0 @Title neb0_image06 @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 {} {0.215725956421 0.526755364271 0.326946858911} C1 1 1 14 {} {0.26961723761 0.489732991488 0.285116203177} Si1 2 1 14 {} {0.169033773365 0.535217935069 0.246033369493} Si2 3 1 8 {} {0.282188599093 0.522588916113 0.187165708414} O1 4 1 8 {} {0.30945117632 0.51028994053 0.356081663226} O2 5 1 6 {} {0.267693830577 0.396551456554 0.278300076184} C2 6 1 6 {} {0.137459114429 0.455515762662 0.228216687568} C3 7 1 8 {} {0.193521437485 0.561278058472 0.151847257341} O3 8 1 8 {} {0.13362811329 0.596218267987 0.273125085722} O4 9 1 14 {} {0.360952092137 0.539134264648 0.361145103892} Si3 10 1 7 {} {0.395317949944 0.475677120097 0.402842494441} N1 11 1 14 {} {0.449234624258 0.47408105199 0.359688553878} Si4 12 1 14 {} {0.375279089786 0.421632254637 0.486037244378} Si5 13 1 7 {} {0.346210784151 0.459641763156 0.571446848976} N2 14 1 7 {} {0.468290635387 0.555711632275 0.36168851286} N3 15 1 1 {} {0.204096097763 0.498176667946 0.385433577882} H1 16 1 1 {} {0.22356992022 0.577605252488 0.351054407783} H2 17 1 1 {} {0.256713991151 0.542988056975 0.15657134869} H3 18 1 1 {} {0.26251072288 0.373521059162 0.344115043343} H4 19 1 1 {} {0.299405224977 0.377504324446 0.251505195578} H5 20 1 1 {} {0.240906151226 0.3795486738 0.23356559054} H6 21 1 1 {} {0.110927632216 0.461764868487 0.178198772297} H7 22 1 1 {} {0.121913387156 0.437850722452 0.290445964509} H8 23 1 1 {} {0.159828868655 0.415645614584 0.204643161594} H9 24 1 1 {} {0.174972618456 0.584223193823 0.108568741203} H10 25 1 1 {} {0.105237834141 0.583839664572 0.299175194707} H11 26 1 1 {} {0.37742575745 0.558982582247 0.271323675597} H12 27 1 1 {} {0.360009649941 0.597912944214 0.422503088272} H13 28 1 1 {} {0.474286005356 0.423207551099 0.413819437493} H14 29 1 1 {} {0.452016074088 0.45521809466 0.263146328028} H15 30 1 1 {} {0.343919271258 0.372550861749 0.445560482484} H16 31 1 1 {} {0.414979924715 0.387621183249 0.524946175478} H17 32 1 1 {} {0.314635257972 0.476189622981 0.560135821415} H18 33 1 1 {} {0.362268988319 0.490188747641 0.615220218871} H19 34 1 1 {} {0.494107721021 0.568013652369 0.320549848995} H20 35 1 1 {} {0.472742969723 0.577117812277 0.422707281663} H21 36 1 6 {} {0.645494892138 0.639567178785 0.485634816905} C4 37 1 14 {} {0.60630508724 0.575782812495 0.439100456478} Si6 38 1 14 {} {0.642246050159 0.725949338211 0.440618658876} Si7 39 1 8 {} {0.602101198129 0.58380288456 0.329355776403} O5 40 1 8 {} {0.625160095543 0.500400677971 0.461929234374} O6 41 1 6 {} {0.550236523858 0.581940066329 0.491494283572} C5 42 1 6 {} {0.594544926451 0.776144894227 0.48543416677} C6 43 1 8 {} {0.638064879242 0.714806830941 0.330193631889} O7 44 1 8 {} {0.689757944305 0.767336293892 0.456412050994} O8 45 1 14 {} {0.635381189127 0.42236537346 0.434062454806} Si8 46 1 7 {} {0.589984300523 0.370484874191 0.452557715537} N4 47 1 14 {} {0.570423601121 0.321102086196 0.363657695294} Si9 48 1 14 {} {0.565229597082 0.367031434419 0.558674477136} Si10 49 1 7 {} {0.600618037482 0.385868001225 0.645414037814} N5 50 1 7 {} {0.605386674616 0.258385207157 0.326207706755} N6 51 1 1 {} {0.640488814687 0.640563834976 0.558499220555} H22 52 1 1 {} {0.679507083278 0.620839195861 0.473334017561} H23 53 1 1 {} {0.614798460373 0.625610684883 0.306426576607} H24 54 1 1 {} {0.549937567869 0.572949441129 0.56381281428} H25 55 1 1 {} {0.530488161605 0.542318382545 0.459635401207} H26 56 1 1 {} {0.534419111679 0.630794120853 0.477558601021} H27 57 1 1 {} {0.593796507107 0.826573098387 0.456077121874} H28 58 1 1 {} {0.596623930192 0.781705553817 0.558368281995} H29 59 1 1 {} {0.562437735736 0.752081368942 0.470350984081} H30 60 1 1 {} {0.645872560271 0.752306195125 0.292253636309} H31 61 1 1 {} {0.690072661103 0.802245556922 0.501139746274} H32 62 1 1 {} {0.646834221552 0.417592535428 0.337400091204} H33 63 1 1 {} {0.674596815917 0.402268062142 0.48904418347} H34 64 1 1 {} {0.528692036875 0.28923953311 0.396698870456} H35 65 1 1 {} {0.562278536176 0.364100864988 0.284264562513} H36 66 1 1 {} {0.528126567704 0.416470442157 0.565569864548} H37 67 1 1 {} {0.548108256514 0.297642892696 0.570555028832} H38 68 1 1 {} {0.607006610255 0.434531490128 0.660775621485} H39 69 1 1 {} {0.627602675859 0.35665473646 0.658933146782} H40 70 1 1 {} {0.630028410602 0.269545010657 0.28207542859} H41 71 1 1 {} {0.614947664439 0.220604078565 0.367416693975} 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