#MD System 2.0 @Title neb0_image02 @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 {} {0.848327980388 0.307037697975 0.0632226464902} Si1 1 0.0 1 14 {} {0.848460941174 0.385216984247 0.444827072584} Si2 2 0.0 1 14 {} {0.0982229511299 0.306953410655 0.193186381961} Si3 3 0.0 1 14 {} {0.0982203168119 0.383194979353 0.318112671506} Si4 4 0.0 1 14 {} {0.854831992699 0.540829221295 0.435793219039} Si5 5 0.0 1 14 {} {0.102809132512 0.537161324533 0.307824896707} Si6 6 0.0 1 14 {} {0.850650741376 0.458489434988 0.0647598634992} Si7 7 0.0 1 14 {} {0.844832435329 0.229154599731 0.442090208342} Si8 8 0.0 1 14 {} {0.0992381528702 0.458264607637 0.192983785964} Si9 9 0.0 1 14 {} {0.0947538188099 0.228430935599 0.314192157244} Si10 10 0.0 1 8 {} {0.356070434659 0.59230586667 0.519965928936} O1 11 0.0 1 14 {} {0.336243114634 0.656191708342 0.525434379889} Si11 12 0.0 1 8 {} {0.111214233744 0.589674213396 0.212473576139} O2 13 0.0 1 1 {} {0.0115360715211 0.59328536515 0.152045905563} H1 14 0.0 1 8 {} {0.333996742746 0.17782178304 0.541321807602} O3 15 0.0 1 1 {} {0.933113134849 0.174698305695 0.601735664621} H2 16 0.0 1 8 {} {0.0837681910962 0.176751755896 0.21604112118} O4 17 0.0 1 1 {} {0.182713104705 0.173297033792 0.155819973869} H3 18 0.0 1 14 {} {0.848632880208 0.307597803828 0.564538967497} Si12 19 0.0 1 14 {} {0.849361281626 0.383595788994 0.938993951703} Si13 20 0.0 1 14 {} {0.0987390069916 0.307973753151 0.693507874454} Si14 21 0.0 1 14 {} {0.0992136380861 0.386013984383 0.812181897577} Si15 22 0.0 1 14 {} {0.851010524735 0.537267690705 0.949196434736} Si16 23 0.0 1 14 {} {0.100826179999 0.541177160148 0.823883453999} Si17 24 0.0 1 14 {} {0.850040597061 0.463972515922 0.562885326222} Si18 25 0.0 1 14 {} {0.844848738346 0.228385691743 0.942588104128} Si19 26 0.0 1 14 {} {0.0987942342046 0.464741556488 0.693254601289} Si20 27 0.0 1 14 {} {0.094961602252 0.22923382 0.814928661742} Si21 28 0.0 1 8 {} {0.361987126963 0.588744876437 0.0466826081212} O5 29 0.0 1 1 {} {0.261990916021 0.593529726161 0.106284556034} H4 30 0.0 1 8 {} {0.119714881862 0.59789266293 0.748703483432} O6 31 0.0 1 1 {} {0.0208449219492 0.621857172258 0.738739542905} H5 32 0.0 1 8 {} {0.333876784085 0.176731731223 0.0410502293416} O7 33 0.0 1 1 {} {0.932850186805 0.173380015937 0.101263807255} H6 34 0.0 1 8 {} {0.0840534101378 0.178278693735 0.714767380158} O8 35 0.0 1 1 {} {0.183365953608 0.174851485693 0.654679920742} H7 36 0.0 1 14 {} {0.348112770205 0.30691396622 0.0632468970308} Si22 37 0.0 1 14 {} {0.348562421182 0.384991813529 0.444346998256} Si23 38 0.0 1 14 {} {0.598212154801 0.306973217285 0.193063544805} Si24 39 0.0 1 14 {} {0.598799429725 0.383323317316 0.31779766384} Si25 40 0.0 1 14 {} {0.354439716431 0.538766279594 0.432667849724} Si26 41 0.0 1 14 {} {0.606379287078 0.537537370853 0.307896969405} Si27 42 0.0 1 14 {} {0.349686195351 0.457944874994 0.0667780025953} Si28 43 0.0 1 14 {} {0.344820578817 0.229069893415 0.442007729484} Si29 44 0.0 1 14 {} {0.601407843875 0.458507493906 0.192553529922} Si30 45 0.0 1 14 {} {0.594788100684 0.228461823333 0.314155813214} Si31 46 0.0 1 8 {} {0.848311783799 0.594694326377 0.522547739547} O9 47 0.0 1 1 {} {0.940516692609 0.621343939357 0.518364818768} H8 48 0.0 1 8 {} {0.613957957464 0.589641755037 0.211633191215} O10 49 0.0 1 1 {} {0.512806388337 0.593426210067 0.152349059387} H9 50 0.0 1 8 {} {0.83387183159 0.177954867875 0.541544071146} O11 51 0.0 1 1 {} {0.433184595501 0.174507946174 0.601517749694} H10 52 0.0 1 8 {} {0.583942828108 0.176775608668 0.216014751243} O12 53 0.0 1 1 {} {0.682858144779 0.173371490835 0.155751064994} H11 54 0.0 1 14 {} {0.348511487515 0.307516573396 0.564267778187} Si32 55 0.0 1 14 {} {0.348890079359 0.383471920561 0.939320594848} Si33 56 0.0 1 14 {} {0.598456374885 0.307672818087 0.693342552886} Si34 57 0.0 1 14 {} {0.599109359431 0.38543145445 0.812527025357} Si35 58 0.0 1 14 {} {0.349079492571 0.536416981646 0.951417986006} Si36 59 0.0 1 14 {} {0.598261259663 0.538420079881 0.825516225889} Si37 60 0.0 1 14 {} {0.34878920615 0.463249890557 0.563638822697} Si38 61 0.0 1 14 {} {0.344825294129 0.228326110957 0.942700084635} Si39 62 0.0 1 14 {} {0.599616391286 0.463569040622 0.692316144611} Si40 63 0.0 1 14 {} {0.59477106026 0.229118854616 0.814931148031} Si41 64 0.0 1 8 {} {0.861636492588 0.589764608148 0.0443715014221} O13 65 0.0 1 1 {} {0.761680849762 0.593762987558 0.10468042203} H12 66 0.0 1 8 {} {0.593308481041 0.593557456525 0.744246189002} O14 67 0.0 1 14 {} {0.599429062212 0.657698731054 0.74351789671} Si42 68 0.0 1 8 {} {0.833942040378 0.176794697344 0.0409797030343} O15 69 0.0 1 1 {} {0.432809357375 0.173334888613 0.101308409883} H13 70 0.0 1 8 {} {0.583934120749 0.178133736904 0.714893224047} O16 71 0.0 1 1 {} {0.683239251723 0.174820815992 0.654759867642} H14 72 0.0 1 7 {} {0.458923441284 0.682698590994 0.638733959975} N 73 0.0 1 1 {} {0.451667993396 0.723840115419 0.642220138116} H16 74 0.0 1 9 {} {0.800487947273 0.673690914202 0.719902890647} F4 75 0.0 1 9 {} {0.377408816356 0.680454066921 0.392734564548} F5 76 0.0 1 9 {} {0.560423813799 0.679945290499 0.878704248378} F3 77 0.0 1 9 {} {0.129831875054 0.668230420249 0.541763436869} F1 78 0.0 1 9 {} {0.442856538069 0.792257034125 0.652014350703} F2 79 0.0 1 9 {} {0.575377433405 0.784064670573 0.535242695931} 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 2 0 0 0 38 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 79 78 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 2 {1 0 0} 0 21 0 38 {0 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 78 79 {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 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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