#MD System 2.0 @Title neb0_image07 @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 {} {0.849165100566 0.307516920641 0.0630338572433} Si1 1 0.0 1 14 {} {0.849724488225 0.385215398694 0.44476717285} Si2 2 0.0 1 14 {} {0.0992168599045 0.30736149261 0.192945205945} Si3 3 0.0 1 14 {} {0.0995183422236 0.383530661954 0.318011408551} Si4 4 0.0 1 14 {} {0.857515627362 0.540949138313 0.43755677992} Si5 5 0.0 1 14 {} {0.104325369857 0.538217581562 0.307839171538} Si6 6 0.0 1 14 {} {0.851346173866 0.458873013346 0.0653699226077} Si7 7 0.0 1 14 {} {0.845379915651 0.229664420135 0.442197115737} Si8 8 0.0 1 14 {} {0.100546526726 0.458973142587 0.194184207251} Si9 9 0.0 1 14 {} {0.0952554522673 0.228913935773 0.31394603852} Si10 10 0.0 1 8 {} {0.36851142928 0.59606707712 0.515323619182} O1 11 0.0 1 14 {} {0.343797299962 0.661288598558 0.517159198302} Si11 12 0.0 1 8 {} {0.111154121145 0.589782986592 0.210512547102} O2 13 0.0 1 1 {} {0.0113238830111 0.593178479628 0.15018456243} H1 14 0.0 1 8 {} {0.334591746583 0.178293326368 0.540760595395} O3 15 0.0 1 1 {} {0.933428417258 0.17511726415 0.601298854896} H2 16 0.0 1 8 {} {0.0842490075952 0.177168318907 0.216055998408} O4 17 0.0 1 1 {} {0.183128046184 0.173718868787 0.155791054493} H3 18 0.0 1 14 {} {0.849416748452 0.307912134581 0.56488101599} Si12 19 0.0 1 14 {} {0.850127206858 0.384100956739 0.939031116542} Si13 20 0.0 1 14 {} {0.0995598568731 0.309006648495 0.694127390817} Si14 21 0.0 1 14 {} {0.100235618654 0.387580533914 0.811996822257} Si15 22 0.0 1 14 {} {0.850193963093 0.537638952194 0.948960139158} Si16 23 0.0 1 14 {} {0.103081053765 0.542527363045 0.826703041203} Si17 24 0.0 1 14 {} {0.851061414765 0.463935664914 0.562667530609} Si18 25 0.0 1 14 {} {0.845401187364 0.228905913408 0.942623174638} Si19 26 0.0 1 14 {} {0.10019746575 0.466849330101 0.6931024105} Si20 27 0.0 1 14 {} {0.0956272237475 0.230014853673 0.814889094527} Si21 28 0.0 1 8 {} {0.364780233968 0.588715047326 0.0472880900979} O5 29 0.0 1 1 {} {0.263701563875 0.59399029614 0.105568718045} H4 30 0.0 1 8 {} {0.142836268205 0.601939238366 0.7688767801} O6 31 0.0 1 1 {} {0.0570492469476 0.620663065462 0.717046583149} H5 32 0.0 1 8 {} {0.334333896265 0.177288155777 0.0410127605623} O7 33 0.0 1 1 {} {0.933356281441 0.173829868774 0.101081760103} H6 34 0.0 1 8 {} {0.0845336956485 0.179241856732 0.714281888577} O8 35 0.0 1 1 {} {0.183931855279 0.175647784833 0.654348671981} H7 36 0.0 1 14 {} {0.349022246389 0.307496101867 0.0629314911795} Si22 37 0.0 1 14 {} {0.349177698107 0.38638587974 0.445081473301} Si23 38 0.0 1 14 {} {0.598921210653 0.30765946167 0.192950329574} Si24 39 0.0 1 14 {} {0.599519525999 0.38385367377 0.318365988758} Si25 40 0.0 1 14 {} {0.357571239294 0.541524304528 0.4327585228} Si26 41 0.0 1 14 {} {0.608937967956 0.538620453207 0.307921582378} Si27 42 0.0 1 14 {} {0.351556175319 0.458312948531 0.0678462671666} Si28 43 0.0 1 14 {} {0.345301112232 0.229735431053 0.442008678187} Si29 44 0.0 1 14 {} {0.602883225056 0.459281701631 0.194136262254} Si30 45 0.0 1 14 {} {0.595367329525 0.229182708917 0.313994354492} Si31 46 0.0 1 8 {} {0.862602328568 0.591884423734 0.533484745131} O9 47 0.0 1 1 {} {0.938971590072 0.622407606378 0.517676677522} H8 48 0.0 1 8 {} {0.614971769807 0.590868079137 0.212331069953} O10 49 0.0 1 1 {} {0.513541074225 0.594141261829 0.152978910272} H9 50 0.0 1 8 {} {0.834310044777 0.178255767413 0.541009136305} O11 51 0.0 1 1 {} {0.433686138877 0.17479671473 0.600919254749} H10 52 0.0 1 8 {} {0.584535955807 0.177505682425 0.2159118859} O12 53 0.0 1 1 {} {0.683452911928 0.174054428136 0.155676899553} H11 54 0.0 1 14 {} {0.348930378196 0.308411426875 0.564131564362} Si32 55 0.0 1 14 {} {0.349745567005 0.384140480734 0.939686392062} Si33 56 0.0 1 14 {} {0.598855904138 0.308256710557 0.693579747035} Si34 57 0.0 1 14 {} {0.599490119285 0.386256454196 0.812393723958} Si35 58 0.0 1 14 {} {0.350353504851 0.536309328051 0.952643498572} Si36 59 0.0 1 14 {} {0.597903280209 0.53946278149 0.824640368754} Si37 60 0.0 1 14 {} {0.349621099008 0.465312184238 0.562667486369} Si38 61 0.0 1 14 {} {0.345535592382 0.228883948997 0.942764438081} Si39 62 0.0 1 14 {} {0.599945229637 0.464521254665 0.691857012158} Si40 63 0.0 1 14 {} {0.59535617696 0.229579063651 0.814679095651} Si41 64 0.0 1 8 {} {0.860763559207 0.58988774979 0.0445675645505} O13 65 0.0 1 1 {} {0.761314360307 0.594352113608 0.104907649865} H12 66 0.0 1 8 {} {0.597627002901 0.595253088628 0.745337666421} O14 67 0.0 1 14 {} {0.596793158793 0.659678694657 0.744761485855} Si42 68 0.0 1 8 {} {0.834440739971 0.17730050531 0.040859764388} O15 69 0.0 1 1 {} {0.433264097066 0.173900798583 0.101250685837} H13 70 0.0 1 8 {} {0.584513262505 0.178645485021 0.714580052246} O16 71 0.0 1 1 {} {0.683752360731 0.17529243608 0.654420228091} H14 72 0.0 1 7 {} {0.445287186503 0.687959744726 0.647518102426} N 73 0.0 1 1 {} {0.433334874755 0.754536457187 0.659719124371} H16 74 0.0 1 9 {} {0.791615634448 0.679009943791 0.715796915059} F4 75 0.0 1 9 {} {0.29940547821 0.680406166858 0.378604684429} F5 76 0.0 1 9 {} {0.546614684117 0.680382198891 0.879363479186} F3 77 0.0 1 9 {} {0.13912818597 0.667237868024 0.566238160453} F1 78 0.0 1 9 {} {0.431083598881 0.792499301349 0.663449408535} F2 79 0.0 1 9 {} {0.565435541944 0.68737320936 0.490425172518} 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 58 42 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 2 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 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 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {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