#MD System 2.0 @Title neb0_image06 @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 {} {0.84911188301 0.307624992874 0.0635148860099} Si1 1 0.0 1 14 {} {0.849847079584 0.385168241798 0.4438105208} Si2 2 0.0 1 14 {} {0.0990554592843 0.307436784933 0.192093193045} Si3 3 0.0 1 14 {} {0.0990900934108 0.383564741953 0.318369657048} Si4 4 0.0 1 14 {} {0.856305375394 0.540613549221 0.436826019446} Si5 5 0.0 1 14 {} {0.102986620379 0.537644776799 0.30740927398} Si6 6 0.0 1 14 {} {0.849820076106 0.458911366448 0.0661399580042} Si7 7 0.0 1 14 {} {0.84533371136 0.229700140499 0.441950337383} Si8 8 0.0 1 14 {} {0.0998800462676 0.458668837424 0.191791123275} Si9 9 0.0 1 14 {} {0.0951657722985 0.228955676377 0.314084417288} Si10 10 0.0 1 8 {} {0.357317514438 0.593110788825 0.518627109177} O1 11 0.0 1 14 {} {0.31679830922 0.655376581249 0.520564706121} Si11 12 0.0 1 8 {} {0.111393615737 0.590137355261 0.211616898914} O2 13 0.0 1 1 {} {0.012163906333 0.593172631951 0.150261686561} H1 14 0.0 1 8 {} {0.334570651346 0.178056025309 0.540598333128} O3 15 0.0 1 1 {} {0.933430896116 0.175242298149 0.601332227607} H2 16 0.0 1 8 {} {0.0842086724388 0.17712655253 0.216147798329} O4 17 0.0 1 1 {} {0.183112887916 0.173833069505 0.155789008463} H3 18 0.0 1 14 {} {0.849399522874 0.307981067012 0.565569842374} Si12 19 0.0 1 14 {} {0.849459083062 0.384168984678 0.93824258812} Si13 20 0.0 1 14 {} {0.099342355466 0.308945576778 0.693400946155} Si14 21 0.0 1 14 {} {0.100082266108 0.387393171996 0.813624803107} Si15 22 0.0 1 14 {} {0.84999523979 0.537713797363 0.94810441306} Si16 23 0.0 1 14 {} {0.103725916278 0.542596602783 0.825592749622} Si17 24 0.0 1 14 {} {0.850963326826 0.463843272333 0.563554903803} Si18 25 0.0 1 14 {} {0.845321597593 0.228949164072 0.94239280681} Si19 26 0.0 1 14 {} {0.0997655294344 0.466517228837 0.691680845873} Si20 27 0.0 1 14 {} {0.095524242565 0.229958792159 0.815206865423} Si21 28 0.0 1 8 {} {0.364467027461 0.58914999319 0.0462948895995} O5 29 0.0 1 1 {} {0.263890610612 0.593625362944 0.105409013881} H4 30 0.0 1 8 {} {0.142220284101 0.602772995266 0.768608849111} O6 31 0.0 1 1 {} {0.0523503098935 0.620007721434 0.720473750571} H5 32 0.0 1 8 {} {0.334346756708 0.177269003752 0.0409103103826} O7 33 0.0 1 1 {} {0.933344005588 0.17395570061 0.10112751679} H6 34 0.0 1 8 {} {0.0845573351939 0.17916971334 0.714378249954} O8 35 0.0 1 1 {} {0.183950200948 0.175730942525 0.65430694939} H7 36 0.0 1 14 {} {0.349128728678 0.307644671082 0.0635743347098} Si22 37 0.0 1 14 {} {0.349044031655 0.385616827636 0.443379759661} Si23 38 0.0 1 14 {} {0.599096236502 0.30770855597 0.192118277605} Si24 39 0.0 1 14 {} {0.599908166473 0.383787698478 0.31894149984} Si25 40 0.0 1 14 {} {0.354892116927 0.537979226135 0.429740759956} Si26 41 0.0 1 14 {} {0.607758544088 0.538924342478 0.309109804838} Si27 42 0.0 1 14 {} {0.351554756038 0.458529862433 0.0686821315532} Si28 43 0.0 1 14 {} {0.345230339885 0.229564607836 0.441740337688} Si29 44 0.0 1 14 {} {0.601742565221 0.459478301093 0.193921116067} Si30 45 0.0 1 14 {} {0.595349447249 0.22927492765 0.314167829402} Si31 46 0.0 1 8 {} {0.857469400399 0.592481486476 0.533156824059} O9 47 0.0 1 1 {} {0.940505714578 0.621087967938 0.519732317336} H8 48 0.0 1 8 {} {0.613664467571 0.591401756832 0.213358489277} O10 49 0.0 1 1 {} {0.513626671145 0.593695560802 0.152392546309} H9 50 0.0 1 8 {} {0.834311540189 0.178254856109 0.540926775336} O11 51 0.0 1 1 {} {0.43361821495 0.174843765422 0.600979695281} H10 52 0.0 1 8 {} {0.584574160524 0.177524378432 0.216054276102} O12 53 0.0 1 1 {} {0.683448911932 0.174181953143 0.155698214851} H11 54 0.0 1 14 {} {0.348903768355 0.308076043284 0.565156305043} Si32 55 0.0 1 14 {} {0.350106656031 0.384357325506 0.939028454442} Si33 56 0.0 1 14 {} {0.59903300137 0.308369549453 0.69282767553} Si34 57 0.0 1 14 {} {0.599458521319 0.386294172511 0.813392727765} Si35 58 0.0 1 14 {} {0.349425028498 0.536407041699 0.951794477754} Si36 59 0.0 1 14 {} {0.597087016038 0.538780683389 0.825505360457} Si37 60 0.0 1 14 {} {0.349721858637 0.464297210627 0.564145675897} Si38 61 0.0 1 14 {} {0.345510572543 0.228924580794 0.942536130463} Si39 62 0.0 1 14 {} {0.600518069472 0.464462707374 0.690333448156} Si40 63 0.0 1 14 {} {0.59532510041 0.229644191238 0.814961619785} Si41 64 0.0 1 8 {} {0.861070331764 0.590246227579 0.0440778377172} O13 65 0.0 1 1 {} {0.762102103518 0.594016908441 0.104937820718} H12 66 0.0 1 8 {} {0.593801630678 0.595174696933 0.742991163634} O14 67 0.0 1 14 {} {0.602604085002 0.658906106042 0.739271381691} Si42 68 0.0 1 8 {} {0.834475524853 0.177297143376 0.0407532198011} O15 69 0.0 1 1 {} {0.433251586883 0.174028875842 0.101270994721} H13 70 0.0 1 8 {} {0.584453574424 0.178664653799 0.714697452125} O16 71 0.0 1 1 {} {0.683693787263 0.175448323844 0.654424154564} H14 72 0.0 1 7 {} {0.473069323406 0.687698173814 0.616888013312} N 73 0.0 1 1 {} {0.431327191658 0.753317179746 0.656715432226} H16 74 0.0 1 9 {} {0.796359939474 0.679797013261 0.716746665538} F4 75 0.0 1 9 {} {0.311864564142 0.6798235733 0.38493894556} F5 76 0.0 1 9 {} {0.539925945999 0.682573718179 0.86730701541} F3 77 0.0 1 9 {} {0.126141431939 0.669733608721 0.573269892142} F1 78 0.0 1 9 {} {0.430099528281 0.791883391429 0.666377803824} F2 79 0.0 1 9 {} {0.599490380511 0.700136948605 0.522419205562} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 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