#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 {} {0.84834479722 0.307131298764 0.0629151429578} Si1 1 0.0 1 14 {} {0.848698183127 0.385129939371 0.444583661189} Si2 2 0.0 1 14 {} {0.098279671423 0.306995998534 0.193004351812} Si3 3 0.0 1 14 {} {0.0984372787433 0.383148918125 0.317858351703} Si4 4 0.0 1 14 {} {0.855758802141 0.541437797982 0.436794545812} Si5 5 0.0 1 14 {} {0.103495414978 0.537383238865 0.307188545195} Si6 6 0.0 1 14 {} {0.848497221482 0.458281220417 0.0656356685581} Si7 7 0.0 1 14 {} {0.844912203341 0.229318075401 0.442178817324} Si8 8 0.0 1 14 {} {0.0992679114201 0.458323365243 0.192719641862} Si9 9 0.0 1 14 {} {0.0948071456183 0.228570664721 0.313938065244} Si10 10 0.0 1 8 {} {0.358926608291 0.594744697067 0.517828990141} O1 11 0.0 1 14 {} {0.334177700227 0.659144036617 0.527180497858} Si11 12 0.0 1 8 {} {0.111858138535 0.589501905896 0.21151865045} O2 13 0.0 1 1 {} {0.0121537049454 0.59357024219 0.151226686305} H1 14 0.0 1 8 {} {0.333865844341 0.177848991276 0.541186412098} O3 15 0.0 1 1 {} {0.933051126085 0.174751156758 0.601596006746} H2 16 0.0 1 8 {} {0.083583181491 0.176935093074 0.215915518112} O4 17 0.0 1 1 {} {0.182696937218 0.173332984876 0.155861258901} H3 18 0.0 1 14 {} {0.848717511022 0.307665762273 0.564492663076} Si12 19 0.0 1 14 {} {0.849107582119 0.383671892062 0.939022911208} Si13 20 0.0 1 14 {} {0.0986070421572 0.308108953347 0.693920712443} Si14 21 0.0 1 14 {} {0.09943661997 0.386168027327 0.81258698402} Si15 22 0.0 1 14 {} {0.848475531015 0.537121881636 0.9494928785} Si16 23 0.0 1 14 {} {0.099021229557 0.54245165307 0.822505826228} Si17 24 0.0 1 14 {} {0.850026260441 0.464011690237 0.561711131208} Si18 25 0.0 1 14 {} {0.844984291288 0.228519094531 0.942696501307} Si19 26 0.0 1 14 {} {0.0990130407036 0.464878602093 0.692733298055} Si20 27 0.0 1 14 {} {0.0950151503916 0.229414617622 0.814830070723} Si21 28 0.0 1 8 {} {0.362425012117 0.588695911595 0.0464330722199} O5 29 0.0 1 1 {} {0.262210175709 0.593605000039 0.106045143089} H4 30 0.0 1 8 {} {0.129162980709 0.598974580745 0.754578477652} O6 31 0.0 1 1 {} {0.0352855774922 0.623137438457 0.730793527447} H5 32 0.0 1 8 {} {0.333685706759 0.176977303708 0.0411328847914} O7 33 0.0 1 1 {} {0.932871971135 0.173436214518 0.101234807781} H6 34 0.0 1 8 {} {0.0838857774623 0.178627774485 0.714470707784} O8 35 0.0 1 1 {} {0.183391763771 0.175019246771 0.654593896857} H7 36 0.0 1 14 {} {0.348326376668 0.307094726105 0.0629657724102} Si22 37 0.0 1 14 {} {0.349060429943 0.384869560623 0.444062227942} Si23 38 0.0 1 14 {} {0.598371589194 0.307151029891 0.192968879648} Si24 39 0.0 1 14 {} {0.599266296868 0.383197209637 0.317911487849} Si25 40 0.0 1 14 {} {0.354385120768 0.54094809828 0.435378416269} Si26 41 0.0 1 14 {} {0.606008721528 0.53843679956 0.308499652233} Si27 42 0.0 1 14 {} {0.350749523456 0.458308564562 0.0666528812504} Si28 43 0.0 1 14 {} {0.344920959668 0.22907642054 0.442044449403} Si29 44 0.0 1 14 {} {0.600554577973 0.458869151847 0.194770261031} Si30 45 0.0 1 14 {} {0.594934129158 0.228695171166 0.313884110245} Si31 46 0.0 1 8 {} {0.852295022127 0.594158140504 0.525818807873} O9 47 0.0 1 1 {} {0.943873910853 0.621470115701 0.521916017635} H8 48 0.0 1 8 {} {0.614030555753 0.589761407083 0.211211500804} O10 49 0.0 1 1 {} {0.513458150333 0.593860272771 0.151403528304} H9 50 0.0 1 8 {} {0.8337348603 0.178148218983 0.541483962731} O11 51 0.0 1 1 {} {0.433069487202 0.174423073791 0.601351780962} H10 52 0.0 1 8 {} {0.583895747704 0.177070168045 0.215833453676} O12 53 0.0 1 1 {} {0.682917029743 0.173463337737 0.155688662988} H11 54 0.0 1 14 {} {0.348354494817 0.307432639556 0.564367388035} Si32 55 0.0 1 14 {} {0.349537303446 0.383744113847 0.939537270083} Si33 56 0.0 1 14 {} {0.598502587804 0.307861629671 0.693501591364} Si34 57 0.0 1 14 {} {0.599270437492 0.385834518971 0.812242600265} Si35 58 0.0 1 14 {} {0.348455097503 0.53672064179 0.950876416944} Si36 59 0.0 1 14 {} {0.596815781537 0.54038819766 0.822531691411} Si37 60 0.0 1 14 {} {0.349749861363 0.463605258804 0.562656873522} Si38 61 0.0 1 14 {} {0.344920110373 0.228497647544 0.942802060965} Si39 62 0.0 1 14 {} {0.600223821857 0.464313952141 0.69254103177} Si40 63 0.0 1 14 {} {0.594916114955 0.22926325198 0.814823614319} Si41 64 0.0 1 8 {} {0.861976007569 0.589342236633 0.0444369916687} O13 65 0.0 1 1 {} {0.762548844108 0.593847504226 0.104762544573} H12 66 0.0 1 8 {} {0.593718938539 0.595467416197 0.743368426283} O14 67 0.0 1 14 {} {0.600207463594 0.661064263691 0.738953536536} Si42 68 0.0 1 8 {} {0.833843245076 0.177019979306 0.0410785367747} O15 69 0.0 1 1 {} {0.432794479452 0.173408854433 0.101208913689} H13 70 0.0 1 8 {} {0.583749463176 0.178397933253 0.714674166899} O16 71 0.0 1 1 {} {0.683187064069 0.174923544314 0.654680643581} H14 72 0.0 1 7 {} {0.463247711926 0.684144938442 0.634215261616} N 73 0.0 1 1 {} {0.439039814162 0.743698471464 0.652063247859} H16 74 0.0 1 9 {} {0.803672779733 0.674845699931 0.721102225962} F4 75 0.0 1 9 {} {0.362196415494 0.677845351029 0.388689472113} F5 76 0.0 1 9 {} {0.555303845758 0.680258324679 0.876271463097} F3 77 0.0 1 9 {} {0.127805490813 0.66855032356 0.55520698433} F1 78 0.0 1 9 {} {0.420047590541 0.781749257684 0.673668263248} F2 79 0.0 1 9 {} {0.591970332571 0.747171619966 0.507737946641} 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