#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 {} {0.84893781508 0.307551104565 0.0629190008664} Si1 1 0.0 1 14 {} {0.84950270554 0.385243120017 0.444448983764} Si2 2 0.0 1 14 {} {0.0988208979513 0.307333283075 0.192486333829} Si3 3 0.0 1 14 {} {0.098992135684 0.383402192473 0.31769209359} Si4 4 0.0 1 14 {} {0.858347272929 0.541949549222 0.437100460652} Si5 5 0.0 1 14 {} {0.102784109798 0.537493409169 0.30620043846} Si6 6 0.0 1 14 {} {0.847418301042 0.458880332167 0.0664071011948} Si7 7 0.0 1 14 {} {0.845277279181 0.229662388589 0.44200179295} Si8 8 0.0 1 14 {} {0.0992956555985 0.458463320552 0.19203610429} Si9 9 0.0 1 14 {} {0.0951189685238 0.228910174075 0.314019175947} Si10 10 0.0 1 8 {} {0.346819918105 0.592429028254 0.522515052997} O1 11 0.0 1 14 {} {0.331801698413 0.657993584418 0.521494613906} Si11 12 0.0 1 8 {} {0.112470789259 0.589668760006 0.210499587667} O2 13 0.0 1 1 {} {0.0126057767048 0.593814450985 0.15004673527} H1 14 0.0 1 8 {} {0.334266324349 0.177946976447 0.540747550734} O3 15 0.0 1 1 {} {0.933308639443 0.175077949313 0.601332765485} H2 16 0.0 1 8 {} {0.0840060565591 0.177187000809 0.215966593538} O4 17 0.0 1 1 {} {0.183033412088 0.173683472235 0.155837550645} H3 18 0.0 1 14 {} {0.849332324567 0.307972990859 0.564948203492} Si12 19 0.0 1 14 {} {0.849280724332 0.38422607857 0.939047954556} Si13 20 0.0 1 14 {} {0.0990770659998 0.308860473355 0.694077702951} Si14 21 0.0 1 14 {} {0.100083435612 0.387227241886 0.812705509889} Si15 22 0.0 1 14 {} {0.850431170741 0.537187742621 0.949117987431} Si16 23 0.0 1 14 {} {0.100402916606 0.540795409258 0.82497229495} Si17 24 0.0 1 14 {} {0.850894829483 0.464138934414 0.561443108104} Si18 25 0.0 1 14 {} {0.845314358996 0.228890378721 0.942467101373} Si19 26 0.0 1 14 {} {0.1001281937 0.465188497823 0.690582598269} Si20 27 0.0 1 14 {} {0.095424802514 0.229967436662 0.815061134323} Si21 28 0.0 1 8 {} {0.363062813292 0.589212666856 0.0463793446509} O5 29 0.0 1 1 {} {0.262602761988 0.593736652917 0.106366666551} H4 30 0.0 1 8 {} {0.121070766508 0.600763776146 0.771383126586} O6 31 0.0 1 1 {} {0.0665629592178 0.627104967832 0.712670059158} H5 32 0.0 1 8 {} {0.33418401874 0.177338747389 0.041086131551} O7 33 0.0 1 1 {} {0.933256230918 0.173836585473 0.101159965473} H6 34 0.0 1 8 {} {0.0843830443356 0.179253895523 0.714228216298} O8 35 0.0 1 1 {} {0.183870714836 0.17559913237 0.654365920209} H7 36 0.0 1 14 {} {0.348940777708 0.307556415645 0.063033258428} Si22 37 0.0 1 14 {} {0.349611661731 0.384728330239 0.443628702166} Si23 38 0.0 1 14 {} {0.598990569802 0.307708298787 0.192425925622} Si24 39 0.0 1 14 {} {0.599959917405 0.383820575776 0.317878334303} Si25 40 0.0 1 14 {} {0.35178775731 0.539221368479 0.433071330526} Si26 41 0.0 1 14 {} {0.606726106654 0.540212342803 0.310917582004} Si27 42 0.0 1 14 {} {0.352544842344 0.458697930699 0.068040255127} Si28 43 0.0 1 14 {} {0.345109022548 0.22936213051 0.441831745004} Si29 44 0.0 1 14 {} {0.601100517361 0.460233331006 0.197433462112} Si30 45 0.0 1 14 {} {0.595237312107 0.229213813295 0.314110513993} Si31 46 0.0 1 8 {} {0.860404196779 0.593105549437 0.532460883076} O9 47 0.0 1 1 {} {0.948590037667 0.621226066069 0.528179832214} H8 48 0.0 1 8 {} {0.61530741155 0.590708755967 0.210411512125} O10 49 0.0 1 1 {} {0.514120308116 0.594507957562 0.150477087565} H9 50 0.0 1 8 {} {0.83407904129 0.178331784548 0.54113810069} O11 51 0.0 1 1 {} {0.433330202735 0.174623384218 0.601017576423} H10 52 0.0 1 8 {} {0.584387527704 0.177548592683 0.21588173555} O12 53 0.0 1 1 {} {0.683367825526 0.17399750182 0.155715343936} H11 54 0.0 1 14 {} {0.34861404564 0.307650578701 0.564878447853} Si32 55 0.0 1 14 {} {0.350413931247 0.384301695769 0.939553460704} Si33 56 0.0 1 14 {} {0.598926239078 0.308277085262 0.693240101066} Si34 57 0.0 1 14 {} {0.599753538934 0.38632529255 0.812196386887} Si35 58 0.0 1 14 {} {0.351501236019 0.536941061813 0.950989068713} Si36 59 0.0 1 14 {} {0.59937124366 0.540311845878 0.823242160053} Si37 60 0.0 1 14 {} {0.350757978276 0.463113311119 0.562422216129} Si38 61 0.0 1 14 {} {0.345366240667 0.228899000452 0.942620125099} Si39 62 0.0 1 14 {} {0.600917901821 0.46465204298 0.690944026814} Si40 63 0.0 1 14 {} {0.595277016283 0.229637723149 0.814954577429} Si41 64 0.0 1 8 {} {0.862609741779 0.589819523149 0.0436763759635} O13 65 0.0 1 1 {} {0.76297839946 0.593800908963 0.104930417743} H12 66 0.0 1 8 {} {0.592453566947 0.595490156283 0.742463504923} O14 67 0.0 1 14 {} {0.603685879029 0.659860639346 0.743890609913} Si42 68 0.0 1 8 {} {0.834278231532 0.177345436483 0.0409716642538} O15 69 0.0 1 1 {} {0.433249679097 0.173885588475 0.101205520915} H13 70 0.0 1 8 {} {0.584172995879 0.178780514742 0.714525888682} O16 71 0.0 1 1 {} {0.683539703072 0.175363495406 0.654476514551} H14 72 0.0 1 7 {} {0.461880123846 0.686114717522 0.634045811341} N 73 0.0 1 1 {} {0.440930861276 0.749000028507 0.649342916092} H16 74 0.0 1 9 {} {0.800073471257 0.678477937537 0.720083335078} F4 75 0.0 1 9 {} {0.316788685757 0.678840792428 0.384445899025} F5 76 0.0 1 9 {} {0.545934096089 0.680993705512 0.877009049758} F3 77 0.0 1 9 {} {0.131583343972 0.666736308681 0.572111575932} F1 78 0.0 1 9 {} {0.433971345947 0.786591294303 0.662542759659} F2 79 0.0 1 9 {} {0.571247255835 0.710427794194 0.50002077882} 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