#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 {} {0.848459109773 0.307189981156 0.0629518478628} Si1 1 0.0 1 14 {} {0.848908448921 0.385171325638 0.444556916156} Si2 2 0.0 1 14 {} {0.0983368331016 0.307078513311 0.192914440174} Si3 3 0.0 1 14 {} {0.0986516202576 0.383189948601 0.317845417577} Si4 4 0.0 1 14 {} {0.856504759671 0.541283043163 0.435926199729} Si5 5 0.0 1 14 {} {0.10314352301 0.537313714772 0.307082313575} Si6 6 0.0 1 14 {} {0.848153682254 0.458444391091 0.0657427198874} Si7 7 0.0 1 14 {} {0.8448273642 0.229323496788 0.44212215688} Si8 8 0.0 1 14 {} {0.0991373627571 0.458332096959 0.192635869021} Si9 9 0.0 1 14 {} {0.0947573167196 0.228618449741 0.3139823185} Si10 10 0.0 1 8 {} {0.348363305323 0.592184234617 0.52301579773} O1 11 0.0 1 14 {} {0.340431555454 0.657118502456 0.524673055662} Si11 12 0.0 1 8 {} {0.112266579129 0.589560838594 0.211153056323} O2 13 0.0 1 1 {} {0.0122696734829 0.593620563649 0.15104596819} H1 14 0.0 1 8 {} {0.333878724628 0.177842864942 0.541075107011} O3 15 0.0 1 1 {} {0.932998016312 0.174834248155 0.60160538964} H2 16 0.0 1 8 {} {0.0836889160224 0.176985181441 0.216019686169} O4 17 0.0 1 1 {} {0.182660683855 0.173420080274 0.155864567251} H3 18 0.0 1 14 {} {0.848675234235 0.307727094443 0.564519415661} Si12 19 0.0 1 14 {} {0.849199432756 0.383743925542 0.938996064017} Si13 20 0.0 1 14 {} {0.0985421144008 0.308290046559 0.693872471646} Si14 21 0.0 1 14 {} {0.0996201411146 0.386524534323 0.812424851144} Si15 22 0.0 1 14 {} {0.850824506318 0.536916717794 0.949754860653} Si16 23 0.0 1 14 {} {0.0989435800079 0.538620806316 0.825543362893} Si17 24 0.0 1 14 {} {0.85043071041 0.464069059969 0.561775471909} Si18 25 0.0 1 14 {} {0.844861446889 0.228559506674 0.942710997385} Si19 26 0.0 1 14 {} {0.0996587221741 0.464910788544 0.691979153066} Si20 27 0.0 1 14 {} {0.0949048120688 0.229507759715 0.814935529139} Si21 28 0.0 1 8 {} {0.361830184028 0.589004320271 0.04631547561} O5 29 0.0 1 1 {} {0.2619948138 0.593571348089 0.106493800509} H4 30 0.0 1 8 {} {0.118927946755 0.599053477627 0.757215064523} O6 31 0.0 1 1 {} {0.0449173885403 0.626799441884 0.723178952652} H5 32 0.0 1 8 {} {0.333791441779 0.177036401435 0.0410817795651} O7 33 0.0 1 1 {} {0.932828615229 0.17354350288 0.101281497472} H6 34 0.0 1 8 {} {0.0840007826602 0.178752311621 0.71454586267} O8 35 0.0 1 1 {} {0.183372590833 0.175158596726 0.654579829383} H7 36 0.0 1 14 {} {0.348354701377 0.307179700384 0.0630419718676} Si22 37 0.0 1 14 {} {0.349222908851 0.384726384768 0.44399199909} Si23 38 0.0 1 14 {} {0.598450197764 0.307234421964 0.192791427702} Si24 39 0.0 1 14 {} {0.599341056976 0.383391230698 0.317716381039} Si25 40 0.0 1 14 {} {0.352968913014 0.538784928065 0.43314752122} Si26 41 0.0 1 14 {} {0.605872161417 0.539125627264 0.309884161677} Si27 42 0.0 1 14 {} {0.350960540308 0.458291621498 0.0669150607818} Si28 43 0.0 1 14 {} {0.344800062177 0.229092086636 0.442032209602} Si29 44 0.0 1 14 {} {0.600520754396 0.45944808781 0.195734823492} Si30 45 0.0 1 14 {} {0.594849385701 0.228734835412 0.313912999493} Si31 46 0.0 1 8 {} {0.853946223882 0.594234677745 0.526738530196} O9 47 0.0 1 1 {} {0.9456381008 0.621311868638 0.525304992435} H8 48 0.0 1 8 {} {0.61535935943 0.589778638469 0.209480588786} O10 49 0.0 1 1 {} {0.513495887603 0.593973140529 0.150716697336} H9 50 0.0 1 8 {} {0.833782648576 0.178159532306 0.541408183865} O11 51 0.0 1 1 {} {0.432944415712 0.1744886714 0.601347125682} H10 52 0.0 1 8 {} {0.58399370393 0.177120379761 0.215887830107} O12 53 0.0 1 1 {} {0.682902814157 0.173566376627 0.155656924913} H11 54 0.0 1 14 {} {0.348281078057 0.3074536674 0.564467088548} Si32 55 0.0 1 14 {} {0.349686488261 0.383775974183 0.939352928073} Si33 56 0.0 1 14 {} {0.598447302476 0.307934460753 0.693403525578} Si34 57 0.0 1 14 {} {0.59939478907 0.385860069682 0.812263464826} Si35 58 0.0 1 14 {} {0.350029350898 0.53667957287 0.951317873657} Si36 59 0.0 1 14 {} {0.598467135064 0.539906430869 0.822516816887} Si37 60 0.0 1 14 {} {0.350074089558 0.463137015916 0.562482385935} Si38 61 0.0 1 14 {} {0.344833961332 0.22855575934 0.942815543876} Si39 62 0.0 1 14 {} {0.600326871153 0.464166734537 0.691803761102} Si40 63 0.0 1 14 {} {0.594794340054 0.229320583225 0.81490491356} Si41 64 0.0 1 8 {} {0.862073009699 0.589543541315 0.0440733879889} O13 65 0.0 1 1 {} {0.76261465896 0.593571544065 0.105006965633} H12 66 0.0 1 8 {} {0.59277674314 0.595347195072 0.742504907445} O14 67 0.0 1 14 {} {0.601831699453 0.659974742258 0.741879624799} Si42 68 0.0 1 8 {} {0.833944942155 0.177053480715 0.0410113810919} O15 69 0.0 1 1 {} {0.432801302316 0.173510481992 0.101219952561} H13 70 0.0 1 8 {} {0.583821278094 0.17848376929 0.714745666857} O16 71 0.0 1 1 {} {0.68312982916 0.175052197372 0.654653680302} H14 72 0.0 1 7 {} {0.464280116836 0.686387646298 0.635486676175} N 73 0.0 1 1 {} {0.449414189222 0.738176183268 0.643923047376} H16 74 0.0 1 9 {} {0.801809631078 0.675414062897 0.721199290222} F4 75 0.0 1 9 {} {0.351043811085 0.680900037766 0.38596725357} F5 76 0.0 1 9 {} {0.553068380929 0.680675526851 0.876031808301} F3 77 0.0 1 9 {} {0.140477499407 0.667491164569 0.557253888332} F1 78 0.0 1 9 {} {0.428065578162 0.789233626097 0.665839191577} F2 79 0.0 1 9 {} {0.568388832005 0.744885517335 0.520999601843} 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