#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 {} {0.848462748626 0.307200158088 0.0629782634302} Si1 1 0.0 1 14 {} {0.848929358657 0.385163835257 0.444476512151} Si2 2 0.0 1 14 {} {0.0983198757543 0.30709169634 0.192894124761} Si3 3 0.0 1 14 {} {0.0987022510897 0.383180970635 0.317917663948} Si4 4 0.0 1 14 {} {0.856260570916 0.541701131593 0.436874893439} Si5 5 0.0 1 14 {} {0.103210830689 0.537347973665 0.306899108473} Si6 6 0.0 1 14 {} {0.848221794194 0.458394890791 0.0658037488126} Si7 7 0.0 1 14 {} {0.844810747436 0.229330122247 0.442093286522} Si8 8 0.0 1 14 {} {0.0991013993409 0.458327503 0.192607224779} Si9 9 0.0 1 14 {} {0.0947377557334 0.228641491193 0.314022481332} Si10 10 0.0 1 8 {} {0.343905650082 0.591212887934 0.523554854667} O1 11 0.0 1 14 {} {0.350232272083 0.656239171016 0.518571306419} Si11 12 0.0 1 8 {} {0.112213817387 0.589564674237 0.211087439273} O2 13 0.0 1 1 {} {0.0123038931078 0.593615051318 0.151058762407} H1 14 0.0 1 8 {} {0.333847791214 0.177802071669 0.54108465308} O3 15 0.0 1 1 {} {0.932993022045 0.174851065211 0.601624098597} H2 16 0.0 1 8 {} {0.0836861857986 0.176953929881 0.216026220323} O4 17 0.0 1 1 {} {0.182650983316 0.173434542987 0.155854711874} H3 18 0.0 1 14 {} {0.848638796298 0.307720772672 0.564527279026} Si12 19 0.0 1 14 {} {0.849253207475 0.383713488316 0.938923027475} Si13 20 0.0 1 14 {} {0.0985016921273 0.308288269488 0.693817228543} Si14 21 0.0 1 14 {} {0.0996162222864 0.386517353228 0.812490211023} Si15 22 0.0 1 14 {} {0.851057507607 0.537027420022 0.949928739529} Si16 23 0.0 1 14 {} {0.100563309382 0.541583086734 0.821258104845} Si17 24 0.0 1 14 {} {0.850447798087 0.464118254492 0.561846964488} Si18 25 0.0 1 14 {} {0.844799195665 0.228582619328 0.942689383296} Si19 26 0.0 1 14 {} {0.0997971929065 0.464990623445 0.691912484074} Si20 27 0.0 1 14 {} {0.0948666344323 0.229527309278 0.815010753329} Si21 28 0.0 1 8 {} {0.361656824837 0.588999117241 0.0462350669413} O5 29 0.0 1 1 {} {0.261996678208 0.593569128126 0.106573759174} H4 30 0.0 1 8 {} {0.107456568531 0.599179690094 0.756868032708} O6 31 0.0 1 1 {} {0.0541798621981 0.623364633674 0.727224273477} H5 32 0.0 1 8 {} {0.333780712325 0.177002573914 0.0410838687296} O7 33 0.0 1 1 {} {0.932819888624 0.173561515136 0.101308321469} H6 34 0.0 1 8 {} {0.0839897839651 0.178721739388 0.714555584166} O8 35 0.0 1 1 {} {0.183372650096 0.175176332851 0.65456519157} H7 36 0.0 1 14 {} {0.348344795693 0.307185382513 0.0630530992273} Si22 37 0.0 1 14 {} {0.349191148993 0.384711725295 0.443978314615} Si23 38 0.0 1 14 {} {0.598469746679 0.307228231459 0.192757669292} Si24 39 0.0 1 14 {} {0.599356308333 0.3833763485 0.317757506539} Si25 40 0.0 1 14 {} {0.352955346072 0.539363129065 0.434556141334} Si26 41 0.0 1 14 {} {0.605585573993 0.539533160379 0.309917305746} Si27 42 0.0 1 14 {} {0.350920298182 0.45823675727 0.0669651567405} Si28 43 0.0 1 14 {} {0.344758122852 0.229113752292 0.442033293041} Si29 44 0.0 1 14 {} {0.600556430192 0.459492659235 0.195674211706} Si30 45 0.0 1 14 {} {0.594811787325 0.228753099281 0.313933320837} Si31 46 0.0 1 8 {} {0.854879474405 0.593910266172 0.525711127565} O9 47 0.0 1 1 {} {0.944924174049 0.621070863622 0.525963104882} H8 48 0.0 1 8 {} {0.615661929995 0.589559296166 0.208956404188} O10 49 0.0 1 1 {} {0.513654645539 0.59396848869 0.15084306281} H9 50 0.0 1 8 {} {0.833763229218 0.17812074754 0.541423440923} O11 51 0.0 1 1 {} {0.432920384106 0.174507055996 0.601366255369} H10 52 0.0 1 8 {} {0.58398913679 0.177080407486 0.215881811843} O12 53 0.0 1 1 {} {0.682897075704 0.173579350688 0.155637612115} H11 54 0.0 1 14 {} {0.348262642795 0.30743821938 0.564465446656} Si32 55 0.0 1 14 {} {0.349650108073 0.383749631906 0.939268240551} Si33 56 0.0 1 14 {} {0.598403924456 0.307930361471 0.693366723107} Si34 57 0.0 1 14 {} {0.599437447159 0.38586098934 0.812317475619} Si35 58 0.0 1 14 {} {0.350203370195 0.536770963459 0.951570311924} Si36 59 0.0 1 14 {} {0.598576042178 0.539998856229 0.821935309146} Si37 60 0.0 1 14 {} {0.350028141637 0.463164388414 0.562412984588} Si38 61 0.0 1 14 {} {0.344791296044 0.228580690374 0.942797270765} Si39 62 0.0 1 14 {} {0.600345841045 0.464137553442 0.691709904438} Si40 63 0.0 1 14 {} {0.59475494705 0.229341760511 0.814961480477} Si41 64 0.0 1 8 {} {0.862018492028 0.589542651804 0.0440200619118} O13 65 0.0 1 1 {} {0.76248441308 0.593538978076 0.105170632176} H12 66 0.0 1 8 {} {0.59308198049 0.595217820887 0.742868178974} O14 67 0.0 1 14 {} {0.599328965183 0.65998840699 0.740735228081} Si42 68 0.0 1 8 {} {0.833942271901 0.177014505061 0.0410119243018} O15 69 0.0 1 1 {} {0.432806794319 0.17352439408 0.101235257443} H13 70 0.0 1 8 {} {0.583811649952 0.178456543293 0.714753389583} O16 71 0.0 1 1 {} {0.683120170001 0.17507331569 0.654639070575} H14 72 0.0 1 7 {} {0.465030554558 0.685689928213 0.633430629517} N 73 0.0 1 1 {} {0.452134060456 0.736759825021 0.642828891008} H16 74 0.0 1 9 {} {0.800885024169 0.675409269974 0.721474159418} F4 75 0.0 1 9 {} {0.347022439395 0.681102473452 0.391476970829} F5 76 0.0 1 9 {} {0.553648379704 0.680689138539 0.875924152403} F3 77 0.0 1 9 {} {0.14429561468 0.667564207906 0.556233821016} F1 78 0.0 1 9 {} {0.428217229086 0.792690032709 0.665349468267} F2 79 0.0 1 9 {} {0.56273579973 0.744711587641 0.525637880304} 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