#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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.848341106282 0.307132910051 0.0629300539909} Si1 1 0.0 1 14 {} {0.848711644266 0.385129761203 0.444567827183} Si2 2 0.0 1 14 {} {0.0982796453093 0.307003203627 0.192992194542} Si3 3 0.0 1 14 {} {0.0984597279173 0.383146579116 0.317878958179} Si4 4 0.0 1 14 {} {0.85568987185 0.541352784866 0.436722894379} Si5 5 0.0 1 14 {} {0.103637065719 0.537407252455 0.30727917296} Si6 6 0.0 1 14 {} {0.848638099828 0.458309213279 0.0655259702418} Si7 7 0.0 1 14 {} {0.844914610313 0.229311492703 0.442186413973} Si8 8 0.0 1 14 {} {0.0993134592331 0.458327216254 0.192770460145} Si9 9 0.0 1 14 {} {0.0948056963758 0.228566094064 0.313927581018} Si10 10 0.0 1 8 {} {0.357682400223 0.59441399425 0.518414998725} O1 11 0.0 1 14 {} {0.334735506775 0.658794964788 0.526382091557} Si11 12 0.0 1 8 {} {0.111799200868 0.589516610428 0.211465338173} O2 13 0.0 1 1 {} {0.0121422920735 0.593568537126 0.151227699116} H1 14 0.0 1 8 {} {0.333878432131 0.177849564712 0.541182972106} O3 15 0.0 1 1 {} {0.933046452977 0.174751582385 0.601592145162} H2 16 0.0 1 8 {} {0.083601804434 0.176935660667 0.215925907381} O4 17 0.0 1 1 {} {0.182686532267 0.173333271488 0.155864205197} H3 18 0.0 1 14 {} {0.848711819603 0.307669539729 0.564501982287} Si12 19 0.0 1 14 {} {0.849097135088 0.383645228694 0.938995856727} Si13 20 0.0 1 14 {} {0.0986151446842 0.308111146712 0.693882783166} Si14 21 0.0 1 14 {} {0.0994400485233 0.386204556765 0.812598262594} Si15 22 0.0 1 14 {} {0.848918131702 0.537182284344 0.949334757366} Si16 23 0.0 1 14 {} {0.0992221706162 0.541837890137 0.822931625963} Si17 24 0.0 1 14 {} {0.850049971418 0.464019069376 0.561762159367} Si18 25 0.0 1 14 {} {0.844972604136 0.228516148975 0.94271581445} Si19 26 0.0 1 14 {} {0.0990733020482 0.465040978438 0.692919146728} Si20 27 0.0 1 14 {} {0.0950084558071 0.22940164052 0.814835584107} Si21 28 0.0 1 8 {} {0.362358181456 0.58870431478 0.0465130554111} O5 29 0.0 1 1 {} {0.262297405426 0.593615216749 0.106047443016} H4 30 0.0 1 8 {} {0.128461467127 0.599145497679 0.754310207892} O6 31 0.0 1 1 {} {0.0354257700931 0.623316046691 0.730675798508} H5 32 0.0 1 8 {} {0.333705044702 0.176978316543 0.0411251456819} O7 33 0.0 1 1 {} {0.932862046872 0.173437395651 0.101229919051} H6 34 0.0 1 8 {} {0.083905037363 0.178627474923 0.714477187394} O8 35 0.0 1 1 {} {0.183385775224 0.175018127939 0.654593170255} H7 36 0.0 1 14 {} {0.348331945746 0.307097902741 0.0629808682555} Si22 37 0.0 1 14 {} {0.349041871033 0.384908177085 0.444077321614} Si23 38 0.0 1 14 {} {0.598375761121 0.307142294307 0.19294178166} Si24 39 0.0 1 14 {} {0.599247424664 0.38318362686 0.317918744037} Si25 40 0.0 1 14 {} {0.354386577774 0.540792435942 0.435271496029} Si26 41 0.0 1 14 {} {0.605838669039 0.538487088991 0.308647967677} Si27 42 0.0 1 14 {} {0.350653657838 0.458300151348 0.0665913460616} Si28 43 0.0 1 14 {} {0.344915005537 0.229072022783 0.442050983705} Si29 44 0.0 1 14 {} {0.600534773654 0.458888209415 0.194768431246} Si30 45 0.0 1 14 {} {0.594935372096 0.228690481372 0.313874035994} Si31 46 0.0 1 8 {} {0.852792768976 0.594222265646 0.525906724385} O9 47 0.0 1 1 {} {0.943490280497 0.621474068644 0.521960145097} H8 48 0.0 1 8 {} {0.614154206236 0.589760902941 0.21101853768} O10 49 0.0 1 1 {} {0.513444106317 0.593871903472 0.151456767468} H9 50 0.0 1 8 {} {0.833747013325 0.178146953094 0.541479690778} O11 51 0.0 1 1 {} {0.433065201687 0.174424376484 0.601348700445} H10 52 0.0 1 8 {} {0.583912583378 0.177070541835 0.215842839157} O12 53 0.0 1 1 {} {0.682907432398 0.17346558765 0.155694702396} H11 54 0.0 1 14 {} {0.348365737052 0.307447529948 0.56437058937} Si32 55 0.0 1 14 {} {0.349536867243 0.383729840206 0.9395071191} Si33 56 0.0 1 14 {} {0.598500046873 0.307867930997 0.693495961229} Si34 57 0.0 1 14 {} {0.599266433093 0.385839448224 0.812271604726} Si35 58 0.0 1 14 {} {0.348383348253 0.536732521694 0.950930325147} Si36 59 0.0 1 14 {} {0.596767417171 0.540453940864 0.822324614362} Si37 60 0.0 1 14 {} {0.349683576873 0.463699389061 0.562586465447} Si38 61 0.0 1 14 {} {0.344924576694 0.228492004425 0.942816024904} Si39 62 0.0 1 14 {} {0.600177427315 0.464323338261 0.692536261354} Si40 63 0.0 1 14 {} {0.594910641665 0.22925779191 0.814816915209} Si41 64 0.0 1 8 {} {0.861903482465 0.589363749716 0.0444999462499} O13 65 0.0 1 1 {} {0.762454410241 0.593881324925 0.1048468885} H12 66 0.0 1 8 {} {0.59388656955 0.595495554437 0.743444837057} O14 67 0.0 1 14 {} {0.600925081888 0.660720850346 0.739720701678} Si42 68 0.0 1 8 {} {0.833862532985 0.177019797007 0.0410681532451} O15 69 0.0 1 1 {} {0.432786026517 0.173410206322 0.101204601534} H13 70 0.0 1 8 {} {0.583768672387 0.178398144774 0.714681841073} O16 71 0.0 1 1 {} {0.683180607475 0.174923155409 0.654681737523} H14 72 0.0 1 7 {} {0.463495408755 0.684196734009 0.633864480112} N 73 0.0 1 1 {} {0.439464444417 0.743579448878 0.651843664072} H16 74 0.0 1 9 {} {0.803132376278 0.674829619888 0.721106232893} F4 75 0.0 1 9 {} {0.361233124599 0.678209205887 0.388464185233} F5 76 0.0 1 9 {} {0.55551906567 0.6802513422 0.875982882178} F3 77 0.0 1 9 {} {0.129429874699 0.668470668456 0.554670117194} F1 78 0.0 1 9 {} {0.419925184882 0.782524822929 0.673703068248} F2 79 0.0 1 9 {} {0.590912040984 0.746995387872 0.508694239917} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 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 0 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 0 36 2 0 0 63 56 0 0 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 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 68 33 {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 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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