#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 {} {0.848414780301 0.307240001864 0.0630195973968} Si1 1 0.0 1 14 {} {0.848546157317 0.38531739376 0.444929489107} Si2 2 0.0 1 14 {} {0.098425370885 0.307079971947 0.193235948683} Si3 3 0.0 1 14 {} {0.0983331286917 0.383381032513 0.31810215} Si4 4 0.0 1 14 {} {0.856277878163 0.54102166497 0.436860915631} Si5 5 0.0 1 14 {} {0.10291818596 0.537315862596 0.306990736844} Si6 6 0.0 1 14 {} {0.850092547377 0.458880548321 0.0644473874985} Si7 7 0.0 1 14 {} {0.845270779496 0.229287691205 0.442177199991} Si8 8 0.0 1 14 {} {0.0991950870958 0.458367891616 0.192476969794} Si9 9 0.0 1 14 {} {0.0951688480516 0.228546157114 0.314025426448} Si10 10 0.0 1 8 {} {0.353336138104 0.593740079682 0.519769514723} O1 11 0.0 1 14 {} {0.336683016237 0.658195722494 0.521176394575} Si11 12 0.0 1 8 {} {0.110751079852 0.589755646137 0.21188938911} O2 13 0.0 1 1 {} {0.0111045685266 0.593488696475 0.151452784118} H1 14 0.0 1 8 {} {0.334147882637 0.178052081856 0.54118240708} O3 15 0.0 1 1 {} {0.93327737366 0.174665681269 0.601520476385} H2 16 0.0 1 8 {} {0.0838677927492 0.176892684942 0.216010760334} O4 17 0.0 1 1 {} {0.182839625925 0.173249664166 0.155886117074} H3 18 0.0 1 14 {} {0.848942078479 0.307714516344 0.564573109377} Si12 19 0.0 1 14 {} {0.849378809755 0.383930178292 0.93895560425} Si13 20 0.0 1 14 {} {0.099062914132 0.308276330996 0.693776073237} Si14 21 0.0 1 14 {} {0.0992810868231 0.386403097418 0.812173214175} Si15 22 0.0 1 14 {} {0.851184081056 0.537876802388 0.949340261513} Si16 23 0.0 1 14 {} {0.101711586021 0.541688471442 0.824733225548} Si17 24 0.0 1 14 {} {0.849929707566 0.464039317399 0.562803067227} Si18 25 0.0 1 14 {} {0.845188957437 0.228473484752 0.942566585419} Si19 26 0.0 1 14 {} {0.0989173350931 0.465112746721 0.693393792445} Si20 27 0.0 1 14 {} {0.0953171325878 0.229437095253 0.814690949812} Si21 28 0.0 1 8 {} {0.362942416575 0.588907992594 0.047783635178} O5 29 0.0 1 1 {} {0.262125668838 0.593927126196 0.10652027426} H4 30 0.0 1 8 {} {0.123489073558 0.598691295377 0.752284094666} O6 31 0.0 1 1 {} {0.0255591237985 0.622393765446 0.737505154085} H5 32 0.0 1 8 {} {0.333998743705 0.176865514385 0.0410632055231} O7 33 0.0 1 1 {} {0.932994211516 0.173336306333 0.101125089232} H6 34 0.0 1 8 {} {0.08419933775 0.178549951436 0.714576408524} O8 35 0.0 1 1 {} {0.183565064482 0.174917557514 0.654624272274} H7 36 0.0 1 14 {} {0.348297876717 0.306994551364 0.0630214385323} Si22 37 0.0 1 14 {} {0.348824140832 0.385321578052 0.444359489284} Si23 38 0.0 1 14 {} {0.598266277754 0.307205169852 0.193289990305} Si24 39 0.0 1 14 {} {0.599055127119 0.383616660846 0.317873531308} Si25 40 0.0 1 14 {} {0.353637673436 0.539894917764 0.434054550837} Si26 41 0.0 1 14 {} {0.606749533525 0.538176449851 0.308602827921} Si27 42 0.0 1 14 {} {0.350816609869 0.458001918329 0.0670528934982} Si28 43 0.0 1 14 {} {0.345210072206 0.229282233623 0.442018045377} Si29 44 0.0 1 14 {} {0.602060089782 0.458905745978 0.193318566546} Si30 45 0.0 1 14 {} {0.5952173914 0.228598238983 0.314039312284} Si31 46 0.0 1 8 {} {0.85441400668 0.593509960614 0.527517848859} O9 47 0.0 1 1 {} {0.937279331525 0.622709535076 0.517125482728} H8 48 0.0 1 8 {} {0.614372052198 0.590042624335 0.212003554118} O10 49 0.0 1 1 {} {0.513093801628 0.594084780572 0.152857828492} H9 50 0.0 1 8 {} {0.834043366336 0.178071141487 0.541386075942} O11 51 0.0 1 1 {} {0.433387580005 0.174469146644 0.60122283678} H10 52 0.0 1 8 {} {0.584160092994 0.17694549603 0.215990510011} O12 53 0.0 1 1 {} {0.683081424615 0.173385713744 0.155777937648} H11 54 0.0 1 14 {} {0.348649742158 0.307779761305 0.564109722893} Si32 55 0.0 1 14 {} {0.349045586525 0.383609303072 0.939276426739} Si33 56 0.0 1 14 {} {0.598579780208 0.307922484391 0.693407204085} Si34 57 0.0 1 14 {} {0.599186149942 0.385817615777 0.812354878242} Si35 58 0.0 1 14 {} {0.350870779152 0.536735632815 0.952264329349} Si36 59 0.0 1 14 {} {0.598686876663 0.54016935183 0.823870410835} Si37 60 0.0 1 14 {} {0.348912597663 0.463646134924 0.563538231265} Si38 61 0.0 1 14 {} {0.345105725911 0.228383450335 0.942690245552} Si39 62 0.0 1 14 {} {0.599573340973 0.464191699465 0.692624255244} Si40 63 0.0 1 14 {} {0.595058872133 0.229252820814 0.814718399332} Si41 64 0.0 1 8 {} {0.86178240463 0.59016582132 0.0447595278826} O13 65 0.0 1 1 {} {0.761615762152 0.594242043644 0.104749149496} H12 66 0.0 1 8 {} {0.593112287713 0.595375702878 0.742755584099} O14 67 0.0 1 14 {} {0.604718395973 0.659934224228 0.738134430089} Si42 68 0.0 1 8 {} {0.834040618352 0.176936698304 0.0409443425224} O15 69 0.0 1 1 {} {0.432985556956 0.173327846019 0.101224431011} H13 70 0.0 1 8 {} {0.584145335138 0.178308233454 0.714751353095} O16 71 0.0 1 1 {} {0.683470139383 0.174803853589 0.654702798891} H14 72 0.0 1 7 {} {0.472419407497 0.685876863873 0.626633266881} N 73 0.0 1 1 {} {0.432607521899 0.746802170575 0.655982376079} H16 74 0.0 1 9 {} {0.805700182273 0.674616512042 0.719200238722} F4 75 0.0 1 9 {} {0.365435328294 0.678668516896 0.384733376575} F5 76 0.0 1 9 {} {0.557224374656 0.679808360329 0.873406986056} F3 77 0.0 1 9 {} {0.131848758779 0.668765885534 0.546950062594} F1 78 0.0 1 9 {} {0.417592635416 0.784464253127 0.673905424811} F2 79 0.0 1 9 {} {0.585270421377 0.74059318389 0.523409570985} 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