#MD System 2.0 @Title amorphous(poly(Untitled-b-Untitled)) 1 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} FFAtomType string {{}} FFCharge double 0.0 Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} C 0.0 {0.348167739421 0.512420817466 0.780289042489} Untitled_1::C1 1 -1 6 {} C 0.0 {0.206189020292 0.611002925283 0.796508806623} Untitled_1::C2 2 -1 9 {} F 0.0 {0.363648923532 0.404055689839 0.903350352035} Untitled_1::F1 3 -1 9 {} F 0.0 {0.468170265591 0.625419832562 0.781668618438} Untitled_1::F2 4 -1 9 {} F 0.0 {0.227490654684 0.745502973977 0.703891760583} Untitled_1::F3 5 -1 8 {} O 0.0 {0.191595372003 0.665633605267 0.95423863157} Untitled_1::O 6 -1 6 {} C 0.0 {0.258040724819 0.556561240985 0.0610852659001} Untitled_1::C3 7 -1 9 {} F 0.0 {0.177208008293 0.413302052278 0.05130665568} Untitled_1::F4 8 -1 9 {} F 0.0 {0.245306843119 0.616036925686 0.214491229982} Untitled_1::F5 9 -1 9 {} F 0.0 {0.417095325927 0.533067712892 0.0249414846989} Untitled_1::F6 10 -1 6 {} C 0.0 {0.236839701267 0.512875512061 0.530329211803} Untitled_2::C1 11 -1 6 {} C 0.0 {0.350350832634 0.43611245171 0.625326298137} Untitled_2::C2 12 -1 9 {} F 0.0 {0.263809286816 0.482668205875 0.370366075026} Untitled_2::F1 13 -1 9 {} F 0.0 {0.251979342964 0.671874837318 0.563854365682} Untitled_2::F2 14 -1 9 {} F 0.0 {0.500172868118 0.437031626478 0.556301399757} Untitled_2::F3 15 -1 8 {} O 0.0 {0.288650780101 0.283475890122 0.639401370251} Untitled_2::O 16 -1 6 {} C 0.0 {0.411644262597 0.177816933915 0.673855019781} Untitled_2::C3 17 -1 9 {} F 0.0 {0.542989652257 0.214082661508 0.580996062334} Untitled_2::F4 18 -1 9 {} F 0.0 {0.362495332556 0.0238445546795 0.641759652143} Untitled_2::F5 19 -1 9 {} F 0.0 {0.451732156915 0.190713515407 0.833130357252} Untitled_2::F6 20 -1 6 {} C 0.0 {0.0648308327045 0.388912846917 0.750160136094} Untitled_3::C1 21 -1 6 {} C 0.0 {0.0770181640144 0.454534914096 0.580359301551} Untitled_3::C2 22 -1 9 {} F 0.0 {0.150212580893 0.248366582161 0.742626404186} Untitled_3::F1 23 -1 9 {} F 0.0 {0.139785016334 0.472637626689 0.872976856879} Untitled_3::F2 24 -1 9 {} F 0.0 {0.0524145128644 0.321664240807 0.486076301488} Untitled_3::F3 25 -1 9 {} F 0.0 {0.959555613779 0.557253086314 0.53360671217} Untitled_3::F4 26 -1 6 {} C 0.0 {0.811307275253 0.434463824483 0.915955114724} Untitled_4::C1 27 -1 6 {} C 0.0 {0.901310112651 0.33466645099 0.79791292598} Untitled_4::C2 28 -1 9 {} F 0.0 {0.677637293997 0.350118563695 0.962892802177} Untitled_4::F1 29 -1 9 {} F 0.0 {0.909789516959 0.452217863487 0.0469126880915} Untitled_4::F2 30 -1 9 {} F 0.0 {0.925903645679 0.191324348308 0.875450674145} Untitled_4::F3 31 -1 9 {} F 0.0 {0.812361987978 0.295699652865 0.66460401254} Untitled_4::F4 32 -1 6 {} C 0.0 {0.889461548532 0.685325891589 0.819060482828} Untitled_5::C1 33 -1 6 {} C 0.0 {0.760388614475 0.594200026079 0.868195402792} Untitled_5::C2 34 -1 9 {} F 0.0 {0.850690754959 0.844755898723 0.811017348717} Untitled_5::F1 35 -1 9 {} F 0.0 {0.00915848005361 0.659246588984 0.928802265339} Untitled_5::F2 36 -1 9 {} F 0.0 {0.684998307789 0.668343633564 0.994604709126} Untitled_5::F3 37 -1 9 {} F 0.0 {0.655730791231 0.580324055153 0.742615698686} Untitled_5::F4 38 -1 6 {} C 0.0 {0.824507867742 0.679252252836 0.550653062758} Untitled_6::C1 39 -1 6 {} C 0.0 {0.936114746107 0.626238481373 0.67242260821} Untitled_6::C2 40 -1 9 {} F 0.0 {0.874458740804 0.623277894262 0.403440939818} Untitled_6::F1 41 -1 9 {} F 0.0 {0.673117733857 0.621628731188 0.579206978956} Untitled_6::F2 42 -1 9 {} F 0.0 {0.935641863318 0.462749410902 0.67675381722} Untitled_6::F3 43 -1 9 {} F 0.0 {0.0832760385667 0.685264166672 0.632212393084} Untitled_6::F4 44 -1 6 {} C 0.0 {0.98064473597 0.908186409855 0.528599800487} Untitled_7::C1 45 -1 6 {} C 0.0 {0.821078932104 0.849667146284 0.544490269286} Untitled_7::C2 46 -1 9 {} F 0.0 {0.0678771498768 0.861887347068 0.660288327328} Untitled_7::F1 47 -1 9 {} F 0.0 {0.050265003579 0.845754528499 0.392998595442} Untitled_7::F2 48 -1 9 {} F 0.0 {0.754734925257 0.90829662649 0.683324074277} Untitled_7::F3 49 -1 9 {} F 0.0 {0.728236462129 0.897916786521 0.417287637037} Untitled_7::F4 50 -1 6 {} C 0.0 {0.900401683324 0.128533071104 0.379087534608} Untitled_8::C1 51 -1 6 {} C 0.0 {0.981318121171 0.07783791163 0.519848979629} Untitled_8::C2 52 -1 9 {} F 0.0 {0.976180400316 0.0649149879065 0.247189435122} Untitled_8::F1 53 -1 9 {} F 0.0 {0.744366653443 0.0764549358166 0.383000120422} Untitled_8::F2 54 -1 9 {} F 0.0 {0.137293462663 0.130790916696 0.514863305988} Untitled_8::F3 55 -1 9 {} F 0.0 {0.907547238467 0.139954756065 0.653248675358} Untitled_8::F4 56 -1 1 {} H 0.0 {0.106819512703 0.553996002432 0.759025397992} H_head 57 -1 1 {} H 0.0 {0.902605405709 0.248819037598 0.372509621306} H_tail 58 -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} {9.03961032853 9.03961032853 9.03961032853 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{9.03961032853 0 0} {0 9.03961032853 0} {0 0 9.03961032853}} {{0.110624237512 0 0} {0 0.110624237512 0} {0 0 0.110624237512}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 3 0 0 0 4 1 0 0 5 1 0 0 6 5 0 0 7 6 0 0 8 6 0 0 9 6 0 0 11 10 0 0 12 10 0 0 13 10 0 0 14 11 0 0 15 11 0 0 16 15 0 0 17 16 0 0 18 16 0 0 19 16 0 0 11 0 0 0 21 20 0 0 22 20 0 0 23 20 0 0 24 21 0 0 25 21 0 0 21 10 0 0 27 26 0 0 28 26 0 0 29 26 0 0 30 27 0 0 31 27 0 0 27 20 0 0 33 32 0 0 34 32 0 0 35 32 0 0 36 33 0 0 37 33 0 0 33 26 0 0 39 38 0 0 40 38 0 0 41 38 0 0 42 39 0 0 43 39 0 0 39 32 0 0 45 44 0 0 46 44 0 0 47 44 0 0 48 45 0 0 49 45 0 0 45 38 0 0 51 50 0 0 52 50 0 0 53 50 0 0 54 51 0 0 55 51 0 0 51 44 0 0 56 1 0 0 57 50 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 1 0 {0 0 0} 0 1 2 0 {0 0 0} 0 2 3 0 {0 0 0} 0 3 4 1 {0 0 0} 0 4 5 1 {0 0 0} 0 5 6 5 {0 0 -1} 0 6 7 6 {0 0 0} 0 7 8 6 {0 0 0} 0 8 9 6 {0 0 0} 0 9 11 10 {0 0 0} 0 10 12 10 {0 0 0} 0 11 13 10 {0 0 0} 0 12 14 11 {0 0 0} 0 13 15 11 {0 0 0} 0 14 16 15 {0 0 0} 0 15 17 16 {0 0 0} 0 16 18 16 {0 0 0} 0 17 19 16 {0 0 0} 0 18 11 0 {0 0 0} 0 19 21 20 {0 0 0} 0 20 22 20 {0 0 0} 0 21 23 20 {0 0 0} 0 22 24 21 {0 0 0} 0 23 25 21 {1 0 0} 0 24 21 10 {0 0 0} 0 25 27 26 {0 0 0} 0 26 28 26 {0 0 0} 0 27 29 26 {0 0 -1} 0 28 30 27 {0 0 0} 0 29 31 27 {0 0 0} 0 30 27 20 {1 0 0} 0 31 33 32 {0 0 0} 0 32 34 32 {0 0 0} 0 33 35 32 {-1 0 0} 0 34 36 33 {0 0 0} 0 35 37 33 {0 0 0} 0 36 33 26 {0 0 0} 0 37 39 38 {0 0 0} 0 38 40 38 {0 0 0} 0 39 41 38 {0 0 0} 0 40 42 39 {0 0 0} 0 41 43 39 {-1 0 0} 0 42 39 32 {0 0 0} 0 43 45 44 {0 0 0} 0 44 46 44 {-1 0 0} 0 45 47 44 {-1 0 0} 0 46 48 45 {0 0 0} 0 47 49 45 {0 0 0} 0 48 45 38 {0 0 0} 0 49 51 50 {0 0 0} 0 50 52 50 {0 0 0} 0 51 53 50 {0 0 0} 0 52 54 51 {-1 0 0} 0 53 55 51 {0 0 0} 0 54 51 44 {0 -1 0} 0 55 56 1 {0 0 0} 0 56 57 50 {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