#MD System 2.0 @Title neb0_image09 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849696485788 0.307877840988 0.0626447151884} Si1 1 0.0 1 14 {} {0.850186882751 0.38522203871 0.444510792887} Si2 2 0.0 1 14 {} {0.0996309296353 0.307597415271 0.192757613924} Si3 3 0.0 1 14 {} {0.10003875581 0.383584799254 0.318179688231} Si4 4 0.0 1 14 {} {0.861429065586 0.542434511718 0.43933664276} Si5 5 0.0 1 14 {} {0.104660809164 0.537961695618 0.304749126085} Si6 6 0.0 1 14 {} {0.849382742499 0.458862309067 0.0657713148124} Si7 7 0.0 1 14 {} {0.845897900059 0.229903628303 0.442312274183} Si8 8 0.0 1 14 {} {0.100059654491 0.458707028736 0.1930875785} Si9 9 0.0 1 14 {} {0.0956840172549 0.229139916389 0.313700501925} Si10 10 0.0 1 8 {} {0.340286939123 0.592142820364 0.524748451897} O1 11 0.0 1 14 {} {0.353678556621 0.659335707979 0.517155815701} Si11 12 0.0 1 8 {} {0.112827438225 0.58960007808 0.20833699806} O2 13 0.0 1 1 {} {0.0121375230738 0.594189787816 0.149019235517} H1 14 0.0 1 8 {} {0.334883774251 0.178332248402 0.540487151327} O3 15 0.0 1 1 {} {0.933797155315 0.175232725012 0.601035392458} H2 16 0.0 1 8 {} {0.0846231738272 0.177414292087 0.215932751755} O4 17 0.0 1 1 {} {0.183617593039 0.173841135342 0.155817376788} H3 18 0.0 1 14 {} {0.850101041617 0.3081294785 0.565186797427} Si12 19 0.0 1 14 {} {0.850096569736 0.384439951537 0.938408314971} Si13 20 0.0 1 14 {} {0.100096268072 0.309573184065 0.694488899889} Si14 21 0.0 1 14 {} {0.10081842868 0.388287283688 0.81231546913} Si15 22 0.0 1 14 {} {0.851898450577 0.537755911717 0.951235511963} Si16 23 0.0 1 14 {} {0.103392004833 0.543619036654 0.820861664511} Si17 24 0.0 1 14 {} {0.851192470045 0.464303181415 0.560790322994} Si18 25 0.0 1 14 {} {0.84604559319 0.229221169966 0.942601272396} Si19 26 0.0 1 14 {} {0.101393915296 0.466958310229 0.690674752259} Si20 27 0.0 1 14 {} {0.0963074977752 0.230446639016 0.81490997779} Si21 28 0.0 1 8 {} {0.363984272853 0.58921479216 0.0470873128155} O5 29 0.0 1 1 {} {0.263431709099 0.594228232485 0.106772587825} H4 30 0.0 1 8 {} {0.11085796499 0.604362635598 0.779545432687} O6 31 0.0 1 1 {} {0.113590565658 0.625626137079 0.700517065399} H5 32 0.0 1 8 {} {0.33485979356 0.177705644494 0.0410947148863} O7 33 0.0 1 1 {} {0.933897473136 0.174008338499 0.100953896568} H6 34 0.0 1 8 {} {0.0849604476924 0.179883744038 0.713938330056} O8 35 0.0 1 1 {} {0.184517717466 0.176003141514 0.654230761217} H7 36 0.0 1 14 {} {0.349499595157 0.307863943198 0.0626940602284} Si22 37 0.0 1 14 {} {0.350030088748 0.385482226325 0.444406109117} Si23 38 0.0 1 14 {} {0.599535649459 0.308047002369 0.192668696189} Si24 39 0.0 1 14 {} {0.600196053804 0.38400314756 0.318510700059} Si25 40 0.0 1 14 {} {0.353892030417 0.541332571771 0.435112509977} Si26 41 0.0 1 14 {} {0.609515314206 0.541162491577 0.310200150382} Si27 42 0.0 1 14 {} {0.353263397576 0.458694768183 0.0684197373929} Si28 43 0.0 1 14 {} {0.345584604869 0.229859791123 0.442143121065} Si29 44 0.0 1 14 {} {0.603253371555 0.460506714658 0.197631385983} Si30 45 0.0 1 14 {} {0.595785136908 0.229558368899 0.313882868913} Si31 46 0.0 1 8 {} {0.8754965492 0.590671059564 0.539023017253} O9 47 0.0 1 1 {} {0.947673868968 0.622669547399 0.529191939232} H8 48 0.0 1 8 {} {0.617384591368 0.591186787883 0.209458176974} O10 49 0.0 1 1 {} {0.51458872364 0.595673174563 0.152002259151} H9 50 0.0 1 8 {} {0.834668101145 0.178427425191 0.540788379325} O11 51 0.0 1 1 {} {0.434021391542 0.174781863389 0.600556216008} H10 52 0.0 1 8 {} {0.585008819539 0.177917654643 0.215842655553} O12 53 0.0 1 1 {} {0.684005866172 0.174328224086 0.155714514052} H11 54 0.0 1 14 {} {0.349195479187 0.308249668415 0.564415170572} Si32 55 0.0 1 14 {} {0.350604111217 0.384623344431 0.939522780275} Si33 56 0.0 1 14 {} {0.599235669259 0.308708135736 0.693538658177} Si34 57 0.0 1 14 {} {0.599905011237 0.386857423175 0.812247534295} Si35 58 0.0 1 14 {} {0.35356534184 0.536974105131 0.953666546204} Si36 59 0.0 1 14 {} {0.600285666256 0.541610460756 0.819292210268} Si37 60 0.0 1 14 {} {0.351355194637 0.464297849025 0.560581214041} Si38 61 0.0 1 14 {} {0.346231817353 0.229207959956 0.942768155733} Si39 62 0.0 1 14 {} {0.60087234926 0.46513563914 0.691057309309} Si40 63 0.0 1 14 {} {0.595991844039 0.229944589284 0.81459591737} Si41 64 0.0 1 8 {} {0.861178540586 0.590067727292 0.044647586813} O13 65 0.0 1 1 {} {0.7617317726 0.594763211889 0.105865917789} H12 66 0.0 1 8 {} {0.592296198655 0.597217782579 0.744819204732} O14 67 0.0 1 14 {} {0.58734643351 0.663059739253 0.746149027987} Si42 68 0.0 1 8 {} {0.834877425302 0.177695154477 0.0408866655601} O15 69 0.0 1 1 {} {0.433873194728 0.174161152165 0.101215331723} H13 70 0.0 1 8 {} {0.58488326945 0.179106481778 0.714379597348} O16 71 0.0 1 1 {} {0.684190069752 0.175506196344 0.654363875547} H14 72 0.0 1 7 {} {0.440135078972 0.688766799756 0.647493518286} N 73 0.0 1 1 {} {0.434056663688 0.753991986225 0.655940207701} H16 74 0.0 1 9 {} {0.782652771438 0.681516836725 0.718005092233} F4 75 0.0 1 9 {} {0.265535126909 0.68372562878 0.39361105549} F5 76 0.0 1 9 {} {0.547544532357 0.678678962909 0.886570310948} F3 77 0.0 1 9 {} {0.140114605058 0.660960698138 0.584545034488} F1 78 0.0 1 9 {} {0.437094598154 0.792509681363 0.6591133997} F2 79 0.0 1 9 {} {0.553925162158 0.659783526122 0.451517072545} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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