#MD System 2.0 @Title neb0_image08 @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 {} {0.229482758519 0.524383362596 0.349408090246} C1 1 1 14 {} {0.282308534736 0.486654602669 0.307668074335} Si1 2 1 14 {} {0.183639410508 0.532749813354 0.268719227055} Si2 3 1 8 {} {0.29541020002 0.515751737172 0.207983318638} O1 4 1 8 {} {0.318224522708 0.513608694861 0.382367946078} O2 5 1 6 {} {0.282006557545 0.393346322178 0.302321275005} C2 6 1 6 {} {0.15191474042 0.453167583011 0.251141875262} C3 7 1 8 {} {0.208280540444 0.561747727403 0.176320054835} O3 8 1 8 {} {0.148066057218 0.591732259659 0.298932056674} O4 9 1 14 {} {0.371088972006 0.536670841645 0.379278262919} Si3 10 1 7 {} {0.394839827663 0.460481733281 0.417805148766} N1 11 1 14 {} {0.432095100625 0.450457045411 0.314313475397} Si4 12 1 14 {} {0.385881233042 0.415448725579 0.512722499388} Si5 13 1 7 {} {0.358513475523 0.455636201747 0.600383436157} N2 14 1 7 {} {0.384139466542 0.578174462388 0.220729509696} N3 15 1 1 {} {0.21848632891 0.495693463379 0.408211640177} H1 16 1 1 {} {0.238852342451 0.574992334867 0.373013602349} H2 17 1 1 {} {0.271169825211 0.540443351321 0.177986416164} H3 18 1 1 {} {0.276511026576 0.3695798402 0.36721228435} H4 19 1 1 {} {0.313512665715 0.373583042821 0.275871063584} H5 20 1 1 {} {0.255245365193 0.377180118469 0.257377793345} H6 21 1 1 {} {0.125400166314 0.4601057924 0.201379862061} H7 22 1 1 {} {0.13613505346 0.43641584219 0.313799288997} H8 23 1 1 {} {0.173654986715 0.412364555966 0.228184720716} H9 24 1 1 {} {0.188379608657 0.582292573019 0.131965480468} H10 25 1 1 {} {0.119343890657 0.578620292578 0.324068194282} H11 26 1 1 {} {0.385464789356 0.554589029876 0.291020805607} H12 27 1 1 {} {0.375757676059 0.594168151148 0.445688715565} H13 28 1 1 {} {0.486608044052 0.457529159748 0.405604550861} H14 29 1 1 {} {0.454627147763 0.40007751697 0.242765113594} H15 30 1 1 {} {0.355089377495 0.36227005423 0.47480905623} H16 31 1 1 {} {0.429161453405 0.385143785313 0.546720875262} H17 32 1 1 {} {0.32854725767 0.474444961316 0.585011802854} H18 33 1 1 {} {0.374858885051 0.488326356525 0.63964022512} H19 34 1 1 {} {0.463332164572 0.552438138169 0.304820324453} H20 35 1 1 {} {0.337782162106 0.602578531202 0.281975183307} H21 36 1 6 {} {0.660785999736 0.651125663153 0.463293140275} C4 37 1 14 {} {0.626589220278 0.590765104507 0.448132003489} Si6 38 1 14 {} {0.6340335592 0.733223388928 0.414641823271} Si7 39 1 8 {} {0.576242567404 0.593983974021 0.348889834804} O5 40 1 8 {} {0.624729840383 0.501985832626 0.437346797728} O6 41 1 6 {} {0.596479584632 0.60037465879 0.580131220993} C5 42 1 6 {} {0.581378803144 0.777215045323 0.4612368038} C6 43 1 8 {} {0.626583778958 0.717427212624 0.305565422038} O7 44 1 8 {} {0.678727635209 0.782405297715 0.427625311843} O8 45 1 14 {} {0.623737547017 0.422183137344 0.413581620537} Si8 46 1 7 {} {0.575508362566 0.372269421717 0.4271925179} N4 47 1 14 {} {0.556547261601 0.323569855846 0.343194899759} Si9 48 1 14 {} {0.552562736484 0.368191285185 0.541027311735} Si10 49 1 7 {} {0.588800298451 0.386765077884 0.619072677224} N5 50 1 7 {} {0.589896031108 0.258479218934 0.29955926621} N6 51 1 1 {} {0.636079848154 0.644835841456 0.529773446825} H22 52 1 1 {} {0.696645604366 0.643651474163 0.460276531385} H23 53 1 1 {} {0.591793886834 0.621888986842 0.290921418621} H24 54 1 1 {} {0.586876275161 0.617238909636 0.660109376178} H25 55 1 1 {} {0.636035354752 0.498124133543 0.574265127347} H26 56 1 1 {} {0.545790160737 0.602248045459 0.498691556526} H27 57 1 1 {} {0.579869656804 0.82818918243 0.431558513034} H28 58 1 1 {} {0.582638103367 0.784441729887 0.534236933507} H29 59 1 1 {} {0.548476365085 0.754896699055 0.446326186922} H30 60 1 1 {} {0.630853392507 0.754561817376 0.265025037931} H31 61 1 1 {} {0.676858023715 0.810673978251 0.479370774824} H32 62 1 1 {} {0.632505071094 0.418575318182 0.312396546564} H33 63 1 1 {} {0.662481216359 0.401964059977 0.467417588442} H34 64 1 1 {} {0.514445793355 0.291456381566 0.374560686415} H35 65 1 1 {} {0.547613445707 0.366977781633 0.26326890482} H36 66 1 1 {} {0.516685561088 0.418895312966 0.559506119496} H37 67 1 1 {} {0.533617770971 0.297938416333 0.548132882976} H38 68 1 1 {} {0.592135072248 0.435302501298 0.639054294823} H39 69 1 1 {} {0.616002241633 0.358908331194 0.639405053878} H40 70 1 1 {} {0.614536972459 0.271995576018 0.257621672738} H41 71 1 1 {} {0.599323186548 0.221726273924 0.340177470156} 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