Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.044650807976723 cohesive_energy=3.360264253215876 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.01038308816643754 Energy: 0.5018813745290547 Energy: 0.01038308816668806 Energy: 0.5018813745290547 Energy: 0.01038308816668806 Energy: 0.5018813745288042 Energy: 0.5018813745290547 Energy: 0.47151128649557567 Energy: 0.5018813745288042 Energy: 0.6902000882570515 Energy: 0.5018813745288042 Energy: 0.7164550536135885 Energy: 0.01038308816668806 Energy: 0.5018813745290547 Energy: 0.01038308816668806 Energy: 0.5018813745293053 Energy: 0.01038308816668806 Energy: 0.5018813745288042 Energy: 0.5018813745290547 Energy: 0.690200088257302 Energy: 0.5018813745293053 Energy: 0.716455053613839 Energy: 0.5018813745290547 Energy: 0.716455053613839 Energy: 0.01038308816668806 Energy: 0.5018813745288042 Energy: 0.01038308816668806 Energy: 0.5018813745293053 Energy: 0.01038308816668806 Energy: 0.5018813745288042 Energy: 0.5018813745288042 Energy: 0.7164550536135885 Energy: 0.5018813745290547 Energy: 0.7164550536135885 Energy: 0.5018813745288042 Energy: 0.716455053613839 minimum gb energy = 0.01038308816643754 eV minimum distance = 2.6075660496561 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6478051675522575 Energy: 0.5966788380287765 Energy: 0.6478051675522575 Energy: 0.5966788380281736 Energy: 0.6478051675522575 Energy: 0.5966788380275705 Energy: 0.6811239500452588 Energy: 0.5595974626703094 Energy: 0.6811239500446559 Energy: 0.5595974626703094 Energy: 0.681123950046465 Energy: 0.5595974626709124 Energy: 0.6376242184681173 Energy: 0.6155440626847805 Energy: 0.6376242184699265 Energy: 0.6155440625310895 Energy: 0.6376242184681173 Energy: 0.6155440622628502 Energy: 0.6085949837552228 Energy: 0.588963641826841 Energy: 0.6085577196498277 Energy: 0.588963641826841 Energy: 0.5396563990471063 Energy: 0.588963641826841 Energy: 0.6183714738790402 Energy: 0.6372014496642486 Energy: 0.6183714738796432 Energy: 0.6372014492718394 Energy: 0.6183714738796432 Energy: 0.6372014487890304 Energy: 0.6593503117629907 Energy: 0.5846744145928338 Energy: 0.6593503117635937 Energy: 0.5846744145928338 Energy: 0.6593503117629907 Energy: 0.5846744145928338 Energy: 0.6080758403278221 Energy: 0.6488089127961969 Energy: 0.608075840326013 Energy: 0.6488089127967999 Energy: 0.6080758403254101 Energy: 0.6488089127967999 Energy: 0.5989339691165309 Energy: 0.6762943764508206 Energy: 0.5989339691165309 Energy: 0.6762943764508206 Energy: 0.5989339691165309 Energy: 0.6762943764496144 Energy: 0.6514595282137219 Energy: 0.6419458903951953 Energy: 0.651459528214325 Energy: 0.6419458903951953 Energy: 0.651459528214325 Energy: 0.6419458903945922 Energy: 0.5558301818927344 Energy: 0.6607034311295854 Energy: 0.5558301818921313 Energy: 0.660703399653853 Energy: 0.5558301818921313 Energy: 0.6607033634705537 Energy: 0.7205427903090196 Energy: 0.5809903967014923 Energy: 0.7205427903090196 Energy: 0.5809903967014923 Energy: 0.7205427903096228 Energy: 0.5809903967014923 Energy: 0.5384042853313784 Energy: 0.663647766810519 Energy: 0.5384042853313784 Energy: 0.663647766810519 Energy: 0.5384042853307754 Energy: 0.663647766810519 Energy: 0.6546903603256438 Energy: 0.5341390721100161 Energy: 0.6546903603244376 Energy: 0.5341390721100161 Energy: 0.6546903603262467 Energy: 0.5341390721100161 Energy: 0.5874914425357498 Energy: 0.5961094292293737 Energy: 0.5874914425357498 Energy: 0.5961094292299767 Energy: 0.5874914425357498 Energy: 0.5961094292305799 Energy: 0.6910849767473488 Energy: 0.5617322812460033 Energy: 0.6910849767473488 Energy: 0.5617322812460033 Energy: 0.6910849767473488 Energy: 0.5617322812460033 Energy: 0.6920938643488461 Energy: 0.6374953209720744 Energy: 0.6920938643488461 Energy: 0.6374953209714713 Energy: 0.6920938643494492 Energy: 0.6374953209720744 Energy: 0.6438673809937486 Energy: 0.6169036305891138 Energy: 0.6438673809943517 Energy: 0.6169036305897168 Energy: 0.6438673809943517 Energy: 0.6169036305891138 Energy: 0.6463194654371224 Energy: 0.6002398090783425 Energy: 0.6463194654359438 Energy: 0.6002398090777396 Energy: 0.6463194654359438 Energy: 0.6002398090783425 Energy: 0.5613813939775383 Energy: 0.5977248405009771 Energy: 0.5613813939781414 Energy: 0.5977248405009771 Energy: 0.5613813939775383 Energy: 0.5977248405009771 Energy: 0.6251467045314169 Energy: 0.5845683864402191 Energy: 0.6251467045314169 Energy: 0.5845683864402191 Energy: 0.6251467045320198 Energy: 0.5845683864402191 Energy: 0.5629144857582923 Energy: 0.6582290064408964 Energy: 0.5629144857582923 Energy: 0.6582290064408964 Energy: 0.5629144857582923 Energy: 0.6582290064402934 Energy: 0.6461594831827631 Energy: 0.6389984453208187 Energy: 0.6461594831827631 Energy: 0.6389984453208187 Energy: 0.6461594831827631 Energy: 0.6389984453202158 Energy: 0.539708737509939 Energy: 0.6658466219376107 Energy: 0.5397087375093358 Energy: 0.6658466219382135 Energy: 0.5397087375093358 Energy: 0.6658466219376107 minimum gb energy = 0.5341390721100161 eV minimum distance = 2.55658726965256 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6819631182772969 Energy: 0.6599090429474512 Energy: 0.6406407668915985 Energy: 0.6599090429477942 Energy: 0.68196311827764 Energy: 0.6599090429474512 Energy: 0.635296677609768 Energy: 0.5987942162264231 Energy: 0.635296677609425 Energy: 0.5987942162264231 Energy: 0.635296677609425 Energy: 0.5987942162260802 Energy: 0.5566538268729518 Energy: 0.5909861579773775 Energy: 0.5566538268750099 Energy: 0.5909861579784066 Energy: 0.5566538268736378 Energy: 0.5909861579787496 Energy: 0.6877381422333413 Energy: 0.6773416939848287 Energy: 0.6877381422350249 Energy: 0.6773416939851717 Energy: 0.6877381422336842 Energy: 0.6773416939848287 Energy: 0.6148992242982761 Energy: 0.6238521226910764 Energy: 0.6148992242982761 Energy: 0.6238521226907333 Energy: 0.6148992242979332 Energy: 0.6238521226917623 Energy: 0.6026301929268066 Energy: 0.5565682067333404 Energy: 0.6026301929285217 Energy: 0.5565682067333404 Energy: 0.6026301929281787 Energy: 0.5565682067333404 Energy: 0.6598720789323851 Energy: 0.6454576065715023 Energy: 0.6598720789316992 Energy: 0.6454576065715023 Energy: 0.6598720789316992 Energy: 0.6454576065718453 Energy: 0.5327796160197567 Energy: 0.6821823912964494 Energy: 0.5327796160197567 Energy: 0.6821823912964494 Energy: 0.5327796160194137 Energy: 0.6821823912957633 Energy: 0.5523264985779966 Energy: 0.5580503752122407 Energy: 0.5523264985783396 Energy: 0.5580503752122407 Energy: 0.5523264985779966 Energy: 0.5580503752122407 Energy: 0.5586207595253346 Energy: 0.6948408380815092 Energy: 0.5585945009077427 Energy: 0.6948408380815092 Energy: 0.5586207595253346 Energy: 0.6948408380804801 Energy: 0.7005570244298601 Energy: 0.5565466805078005 Energy: 0.7005570244295171 Energy: 0.5565466805078005 Energy: 0.7005570244295171 Energy: 0.5565466805074575 Energy: 0.5568312243460533 Energy: 0.5864051585430007 Energy: 0.5569178933026 Energy: 0.5864051585430007 Energy: 0.5568312243457102 Energy: 0.5864051585426577 Energy: 0.6456103797799753 Energy: 0.5546884581131292 Energy: 0.6793275079768348 Energy: 0.5546884581127861 Energy: 0.6456103797806613 Energy: 0.5546884581127861 Energy: 0.6447141627990639 Energy: 0.6614635139617413 Energy: 0.6821722748185963 Energy: 0.6614635139613982 Energy: 0.6447141627994069 Energy: 0.6614635139613982 Energy: 0.6260134235555059 Energy: 0.5911164030776883 Energy: 0.626013423553105 Energy: 0.5911164030773453 Energy: 0.626013423555163 Energy: 0.5911164030780313 Energy: 0.5561248376758852 Energy: 0.5933736625890806 Energy: 0.5561248376762281 Energy: 0.5933736625887375 Energy: 0.5561248376758852 Energy: 0.5933736625887375 Energy: 0.7087393267260695 Energy: 0.6468261427206846 Energy: 0.7087393267257266 Energy: 0.6468261427203417 Energy: 0.7087393267264125 Energy: 0.6468261427206846 Energy: 0.6142335588914098 Energy: 0.5562627373400533 Energy: 0.6142335588920957 Energy: 0.5562627373400533 Energy: 0.6142335588917528 Energy: 0.5562627373407392 Energy: 0.6027253918762703 Energy: 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0.557356953374894 Energy: 0.6020508950290494 Energy: 0.5572685902895327 Energy: 0.6020508950187594 Energy: 0.6795856729467861 Energy: 0.6602540882321473 Energy: 0.6459409161553118 Energy: 0.6602540882321473 Energy: 0.6795856729467861 Energy: 0.6602540882328334 Energy: 0.679548266585989 Energy: 0.651572080229671 Energy: 0.6459505120552219 Energy: 0.6515720802286419 Energy: 0.6795482665856458 Energy: 0.6515720802286419 Energy: 0.5573939335272199 Energy: 0.590305894302195 Energy: 0.5573939335265339 Energy: 0.590305894302195 Energy: 0.5573939335268769 Energy: 0.590305894301852 Energy: 0.6928254229294402 Energy: 0.5894271902099602 Energy: 0.6928254229297831 Energy: 0.5894271902103031 Energy: 0.6928254229301261 Energy: 0.5894271902096171 Energy: 0.5654907569857316 Energy: 0.7204113858735229 Energy: 0.5654907569853885 Energy: 0.7204113858735229 Energy: 0.5654907569857316 Energy: 0.7204113858735229 Energy: 0.6238779878136039 Energy: 0.5579103805147829 Energy: 0.6238779878132609 Energy: 0.5579103805147829 Energy: 0.623877987813947 Energy: 0.5579103805147829 Energy: 0.5546208597198423 Energy: 0.6459189423320834 Energy: 0.5546208597194993 Energy: 0.6459189423317403 Energy: 0.5546208597198423 Energy: 0.6459189423303683 Energy: 0.6590850145474638 Energy: 0.6418175334459804 Energy: 0.6590850145491788 Energy: 0.6418175334463233 Energy: 0.6590850145474638 Energy: 0.6418175334463233 Energy: 0.5902677967372779 Energy: 0.6251221599106674 Energy: 0.5902677967355628 Energy: 0.6251221599113533 Energy: 0.5902677967372779 Energy: 0.6251221599103244 Energy: 0.592179315287447 Energy: 0.5612458625265512 Energy: 0.5921793152884761 Energy: 0.5612458625268942 Energy: 0.59217931528779 Energy: 0.5612458625275802 Energy: 0.6759987193956284 Energy: 0.6893204029414135 Energy: 0.6759987193970004 Energy: 0.6893204029410704 Energy: 0.6759987193959714 Energy: 0.6893204029410704 Energy: 0.5561055352812441 Energy: 0.6159799124846751 Energy: 0.5560245967872757 Energy: 0.6159799124839891 Energy: 0.5561055352812441 Energy: 0.615979912483646 Energy: 0.589022173470586 Energy: 0.6045943026614581 Energy: 0.6036591341675871 Energy: 0.604594302661801 Energy: 0.589022173471272 Energy: 0.6045943026614581 Energy: 0.6446770357920849 Energy: 0.6582039522780351 Energy: 0.6821057572692105 Energy: 0.658203952277692 Energy: 0.6446770357924279 Energy: 0.658203952277692 Energy: 0.6792849097176938 Energy: 0.5315221149393705 Energy: 0.6792849097176938 Energy: 0.5315221149390276 Energy: 0.6792849097180369 Energy: 0.5315221149390276 Energy: 0.5568409968322107 Energy: 0.550486093965334 Energy: 0.5568409968304957 Energy: 0.550486093965334 Energy: 0.5568409968322107 Energy: 0.5504860939646479 minimum gb energy = 0.5309277016186732 eV minimum distance = 2.65259331292648 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6216990347421684 Energy: 0.6239866994437067 Energy: 0.6216990347421684 Energy: 0.6239866994445014 Energy: 0.6216990347421684 Energy: 0.6239866994437067 Energy: 0.6429133645167033 Energy: 0.5934153716427778 Energy: 0.6429133645167033 Energy: 0.5934153716427778 Energy: 0.6429133645159086 Energy: 0.5934153716427778 Energy: 0.5830601680809863 Energy: 0.6220844382192575 Energy: 0.5830601680809863 Energy: 0.6220844382192575 Energy: 0.5830601680801916 Energy: 0.6220844382192575 Energy: 0.6203733781022144 Energy: 0.5616902930108609 Energy: 0.6203733781022144 Energy: 0.5616902930108609 Energy: 0.6203733781022144 Energy: 0.5616902930108609 Energy: 0.6383042872840605 Energy: 0.6049461803309024 Energy: 0.6383042872840605 Energy: 0.6049461803309024 Energy: 0.6383042872840605 Energy: 0.6049461803309024 Energy: 0.6367095089700253 Energy: 0.6050902235617621 Energy: 0.6367095089700253 Energy: 0.6050902235609673 Energy: 0.6367095089700253 Energy: 0.6050902235625568 Energy: 0.5948899901773996 Energy: 0.6048008686476776 Energy: 0.5948899901773996 Energy: 0.6048008686468829 Energy: 0.5948899901773996 Energy: 0.6048008686468829 Energy: 0.5722485569894481 Energy: 0.6049215951166754 Energy: 0.5722485569886535 Energy: 0.6049215951158807 Energy: 0.5722485569894481 Energy: 0.6049215951158807 Energy: 0.6930798542949476 Energy: 0.5603776843872663 Energy: 0.6930798542957424 Energy: 0.5603776843872663 Energy: 0.6930798542957424 Energy: 0.5603776843872663 Energy: 0.5657088659296646 Energy: 0.701804422791556 Energy: 0.5657088659296646 Energy: 0.701804422791556 Energy: 0.5657088659296646 Energy: 0.701804422791556 Energy: 0.6766769648526528 Energy: 0.55107438504228 Energy: 0.6766769648510633 Energy: 0.55107438504228 Energy: 0.6766769648518581 Energy: 0.55107438504228 Energy: 0.6236528794085283 Energy: 0.624113484801479 Energy: 0.6236528794085283 Energy: 0.6241134848006842 Energy: 0.6236528794085283 Energy: 0.624113484801479 Energy: 0.644597970325205 Energy: 0.5928596002362478 Energy: 0.644597970325205 Energy: 0.5928596002362478 Energy: 0.6445979703244104 Energy: 0.5928596002362478 Energy: 0.6029150092648881 Energy: 0.577081737476409 Energy: 0.6029150092648881 Energy: 0.5770817374772037 Energy: 0.6029150092664775 Energy: 0.5770817374756142 Energy: 0.6174083033160267 Energy: 0.6181340866600156 Energy: 0.6174083033168214 Energy: 0.6181340866600156 Energy: 0.6174083033160267 Energy: 0.6181340866592209 Energy: 0.6397455153120567 Energy: 0.604981488383791 Energy: 0.6397455153128514 Energy: 0.6049814883845857 Energy: 0.6397455153128514 Energy: 0.6049814883853804 Energy: 0.6384606006248441 Energy: 0.6728008741671195 Energy: 0.6384606006248441 Energy: 0.6728008741671195 Energy: 0.6384606006248441 Energy: 0.6728008741663248 Energy: 0.6182933145779426 Energy: 0.6067662445161635 Energy: 0.6182933145779426 Energy: 0.6067662445161635 Energy: 0.6182933145779426 Energy: 0.6067662445161635 minimum gb energy = 0.55107438504228 eV minimum distance = 2.55816050057667 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5167607242990526 Energy: 0.5308729123691562 Energy: 0.5167607242999954 Energy: 0.530872912370099 Energy: 0.5167607242995241 Energy: 0.530872912370099 Energy: 0.6267174145715187 Energy: 0.6319833300020697 Energy: 0.6267174145719902 Energy: 0.6319833300015983 Energy: 0.6267174145710475 Energy: 0.6319833300020697 Energy: 0.5098201502829169 Energy: 0.6310286649474288 Energy: 0.5098201502843313 Energy: 0.6310286649464861 Energy: 0.5098201502848028 Energy: 0.6310286649469575 Energy: 0.5375642936700706 Energy: 0.5097413938572642 Energy: 0.5375642936695991 Energy: 0.5097413938577356 Energy: 0.5375642936700706 Energy: 0.5097413938577356 Energy: 0.509862168876823 Energy: 0.5168645197937516 Energy: 0.509862168876823 Energy: 0.516864519791866 Energy: 0.5098621688777659 Energy: 0.5168645197932801 Energy: 0.509825773800298 Energy: 0.5168762197699512 Energy: 0.5098257737998266 Energy: 0.5168762197704226 Energy: 0.5098257737993552 Energy: 0.5168762197704226 Energy: 0.5375760998449016 Energy: 0.5097402366156253 Energy: 0.5375760998444301 Energy: 0.5097402366156253 Energy: 0.5375760998449016 Energy: 0.509740236615154 Energy: 0.5098221920249533 Energy: 0.6309827874597086 Energy: 0.5098221920254032 Energy: 0.6309827874606515 Energy: 0.5098221920249533 Energy: 0.6309827874601801 Energy: 0.6267067600649779 Energy: 0.6319852383886764 Energy: 0.6267067600645064 Energy: 0.6319852383886764 Energy: 0.6267067600649779 Energy: 0.6319852383886764 Energy: 0.5167607243004668 Energy: 0.530872912370099 Energy: 0.5167607242995241 Energy: 0.530872912370099 Energy: 0.5167607242995241 Energy: 0.5308729123710418 Energy: 0.6267174145719902 Energy: 0.6319833300020697 Energy: 0.6267174145705761 Energy: 0.6319833300020697 Energy: 0.6267174145710475 Energy: 0.6319833300020697 Energy: 0.5098201502843313 Energy: 0.6310286649474288 Energy: 0.509820150285274 Energy: 0.6310286649474288 Energy: 0.5098201502843313 Energy: 0.6310286649474288 Energy: 0.5375642936700706 Energy: 0.5097413938577356 Energy: 0.5375642936700706 Energy: 0.5097413938577356 Energy: 0.5375642936695991 Energy: 0.5097413938577356 Energy: 0.5098621688777659 Energy: 0.5168645197937516 Energy: 0.5098621688782373 Energy: 0.5168645197932801 Energy: 0.5098621688777659 Energy: 0.5168645197923373 Energy: 0.5098257737998266 Energy: 0.51687621976948 Energy: 0.509825773800298 Energy: 0.516876219768537 Energy: 0.5098257737993552 Energy: 0.5168762197708942 Energy: 0.5375760998449016 Energy: 0.5097402366156253 Energy: 0.5375760998449016 Energy: 0.509740236615154 Energy: 0.5375760998444301 Energy: 0.5097402366156253 Energy: 0.5098221920254032 Energy: 0.6309827874606515 Energy: 0.5098221920230676 Energy: 0.6309827874601801 Energy: 0.5098221920249533 Energy: 0.6309827874601801 Energy: 0.6267067600659206 Energy: 0.6319852383886764 Energy: 0.6267067600645064 Energy: 0.6319852383886764 Energy: 0.6267067600654493 Energy: 0.631985238388205 Energy: 0.5167607242990526 Energy: 0.5308729123705704 Energy: 0.5167607242990526 Energy: 0.5308729123705704 Energy: 0.5167607242995241 Energy: 0.530872912370099 Energy: 0.6267174145710475 Energy: 0.6319833300015983 Energy: 0.6267174145710475 Energy: 0.6319833300020697 Energy: 0.6267174145710475 Energy: 0.6319833300020697 Energy: 0.5098201502843313 Energy: 0.6310286649474288 Energy: 0.509820150285274 Energy: 0.6310286649479003 Energy: 0.5098201502843313 Energy: 0.6310286649474288 Energy: 0.5375642936695991 Energy: 0.5097413938577356 Energy: 0.5375642936700706 Energy: 0.5097413938577356 Energy: 0.5375642936695991 Energy: 0.5097413938577356 Energy: 0.5098621688772944 Energy: 0.5168645197928087 Energy: 0.5098621688758802 Energy: 0.5168645197923373 Energy: 0.509862168876823 Energy: 0.5168645197923373 Energy: 0.5098257737998266 Energy: 0.5168762197708942 Energy: 0.5098257737993552 Energy: 0.5168762197704226 Energy: 0.5098257737993552 Energy: 0.51687621976948 Energy: 0.5375760998444301 Energy: 0.509740236615154 Energy: 0.5375760998449016 Energy: 0.509740236615154 Energy: 0.5375760998449016 Energy: 0.509740236615154 Energy: 0.5098221920244818 Energy: 0.6309827874601801 Energy: 0.5098221920254032 Energy: 0.6309827874606515 Energy: 0.5098221920254032 Energy: 0.6309827874606515 Energy: 0.6267067600654493 Energy: 0.6319852383886764 Energy: 0.6267067600654493 Energy: 0.631985238388205 Energy: 0.6267067600649779 Energy: 0.6319852383891477 Energy: 0.5167607242995241 Energy: 0.5308729123705704 Energy: 0.5167607242995241 Energy: 0.530872912370099 Energy: 0.5167607242995241 Energy: 0.5308729123705704 Energy: 0.6267174145710475 Energy: 0.6319833300015983 Energy: 0.6267174145705761 Energy: 0.6319833300015983 Energy: 0.6267174145710475 Energy: 0.6319833300020697 Energy: 0.5098201502829169 Energy: 0.6310286649469575 Energy: 0.5098201502848028 Energy: 0.6310286649479003 Energy: 0.5098201502833885 Energy: 0.6310286649479003 minimum gb energy = 0.509740236615154 eV minimum distance = 2.56399795191852 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5281110074782022 Energy: 0.5112876201964957 Energy: 0.5281110074782022 Energy: 0.5112876201964957 Energy: 0.5281110074782022 Energy: 0.5112876201964957 Energy: 0.6261711228056427 Energy: 0.5241665010769027 Energy: 0.6261711228056427 Energy: 0.5241665010769027 Energy: 0.6261711228056427 Energy: 0.5241665010769027 Energy: 0.5413959605515031 Energy: 0.5716579674946474 Energy: 0.5413959605515031 Energy: 0.5716579674946474 Energy: 0.5413959605515031 Energy: 0.5716579674946474 Energy: 0.6358231394325207 Energy: 0.505710345287678 Energy: 0.6358231394325207 Energy: 0.505710345287678 Energy: 0.6358231394325207 Energy: 0.505710345287678 Energy: 0.6379760470029678 Energy: 0.5037865855960322 Energy: 0.6379760470029678 Energy: 0.503786585597187 Energy: 0.6379760470029678 Energy: 0.5037865855960322 Energy: 0.6077908416902973 Energy: 0.6255979818852612 Energy: 0.6077908416902973 Energy: 0.6255979818852612 Energy: 0.6077908416902973 Energy: 0.6255979818852612 Energy: 0.5093106895211602 Energy: 0.5245973281425874 Energy: 0.5650582662496478 Energy: 0.5245973281425874 Energy: 0.5650582662484931 Energy: 0.5245973281425874 Energy: 0.5300526739972835 Energy: 0.5130733258734671 Energy: 0.5300526739972835 Energy: 0.5130733258734671 Energy: 0.5300526739984384 Energy: 0.5130733258734671 Energy: 0.6256890918680412 Energy: 0.5308810726165096 Energy: 0.6256890918668865 Energy: 0.5308810726165096 Energy: 0.6256890918680412 Energy: 0.5308810726165096 Energy: 0.5605872675034579 Energy: 0.5970582367919727 Energy: 0.5605872675034579 Energy: 0.5970582367284895 Energy: 0.5605872675034579 Energy: 0.5970582366361644 Energy: 0.5799045001584876 Energy: 0.5032280662407965 Energy: 0.5799045001584876 Energy: 0.5032280662407965 Energy: 0.5799045001584876 Energy: 0.5032280662407965 Energy: 0.6170266864798089 Energy: 0.579596069496951 Energy: 0.6170266864798089 Energy: 0.5795960694415506 Energy: 0.6170266864809636 Energy: 0.5795960693722939 minimum gb energy = 0.5032280662407965 eV minimum distance = 2.54728600593827 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5436154414706438 Energy: 0.5124324774926686 Energy: 0.5436154414703194 Energy: 0.5124324774923441 Energy: 0.5436154414703194 Energy: 0.5124324774926686 Energy: 0.5293409961599891 Energy: 0.5198408988773503 Energy: 0.5293409961609625 Energy: 0.5370143327093995 Energy: 0.5293409961603136 Energy: 0.5129867394531827 Energy: 0.4787185335735094 Energy: 0.6251363636131632 Energy: 0.4787185335735094 Energy: 0.6251363636131632 Energy: 0.4787185335738338 Energy: 0.6251363636131632 Energy: 0.47836980327881456 Energy: 0.47528088994823386 Energy: 0.47836980327913897 Energy: 0.47528088994888273 Energy: 0.47836980327881456 Energy: 0.4752808899485583 Energy: 0.5224741183024868 Energy: 0.500903943700496 Energy: 0.5224741183021623 Energy: 0.5009039437008204 Energy: 0.5224741183024868 Energy: 0.5009039437011449 Energy: 0.5253845394741677 Energy: 0.5173416968246389 Energy: 0.5253845394744923 Energy: 0.5300322750767522 Energy: 0.52538453947579 Energy: 0.5273104048835403 Energy: 0.5026613390776284 Energy: 0.5379220970258076 Energy: 0.5026613390763308 Energy: 0.5379220970258076 Energy: 0.5026613390773039 Energy: 0.5379220970258076 Energy: 0.4620473545399372 Energy: 0.5356853620428609 Energy: 0.4620473545399372 Energy: 0.5356853620428609 Energy: 0.46204735454026175 Energy: 0.5356853620428609 Energy: 0.5957861287606087 Energy: 0.5009740288592066 Energy: 0.5957861287606087 Energy: 0.5009740288592066 Energy: 0.5957861287596353 Energy: 0.5009740288592066 Energy: 0.5220635982265238 Energy: 0.629387437491833 Energy: 0.5220635982268482 Energy: 0.629387437491833 Energy: 0.5220635982265238 Energy: 0.6293874374915085 Energy: 0.4796790343584381 Energy: 0.4728102739097326 Energy: 0.4796790343581137 Energy: 0.47281027391005714 Energy: 0.4796790343577892 Energy: 0.47281027391005714 Energy: 0.49911086079073685 Energy: 0.530093411890803 Energy: 0.4991108607904124 Energy: 0.530093411887883 Energy: 0.4991108607904124 Energy: 0.530093411881099 Energy: 0.5164412352266555 Energy: 0.5322249619019912 Energy: 0.5164412352198421 Energy: 0.5322249619032889 Energy: 0.5164412352039441 Energy: 0.5322249619029644 Energy: 0.5527406173251138 Energy: 0.6437662132370909 Energy: 0.5527406173247893 Energy: 0.6437662132370909 Energy: 0.5527406173247893 Energy: 0.6437662132370909 Energy: 0.47376236176536884 Energy: 0.5221400090727554 Energy: 0.47376236176569336 Energy: 0.5221400090730798 Energy: 0.47376236176569336 Energy: 0.5221400090730798 Energy: 0.49401947874454494 Energy: 0.5202843017142802 Energy: 0.49401947874519386 Energy: 0.5202843017103868 Energy: 0.49401947874486946 Energy: 0.5202843017084401 Energy: 0.6175118700393615 Energy: 0.47333634592200835 Energy: 0.6175118700400104 Energy: 0.47333634592298174 Energy: 0.6175118700396859 Energy: 0.4733363459207105 Energy: 0.4788158864777919 Energy: 0.4987788928429308 Energy: 0.47881588647811635 Energy: 0.4987788928429308 Energy: 0.47881588647811635 Energy: 0.4987788928429308 Energy: 0.46482556086738475 Energy: 0.608150995388206 Energy: 0.46482556086738475 Energy: 0.6081509953875867 Energy: 0.46482556086738475 Energy: 0.6081509953878815 Energy: 0.6147574156234781 Energy: 0.5651598262167946 Energy: 0.6147574156234781 Energy: 0.5651598262164702 Energy: 0.6147574156234781 Energy: 0.5526032052807192 Energy: 0.4648125140917838 Energy: 0.6080213232147584 Energy: 0.46481251409145935 Energy: 0.608021323214434 Energy: 0.46481251409145935 Energy: 0.6080213232147584 Energy: 0.4786996109574857 Energy: 0.4987635081844717 Energy: 0.4786996109578102 Energy: 0.4987635081844717 Energy: 0.4786996109571613 Energy: 0.4987635081844717 Energy: 0.617492361523527 Energy: 0.4732102696963706 Energy: 0.617492361523527 Energy: 0.4732102696970195 Energy: 0.617492361523527 Energy: 0.4732102696963706 Energy: 0.49400062207254286 Energy: 0.5360533244331062 Energy: 0.49400062207254286 Energy: 0.5360533244327818 Energy: 0.49400062207286727 Energy: 0.5360533244344039 Energy: 0.47375953383504643 Energy: 0.52203125648915 Energy: 0.473759533834722 Energy: 0.5220312564888256 Energy: 0.473759533834722 Energy: 0.5220312564888256 Energy: 0.5525966317550447 Energy: 0.5518533223114396 Energy: 0.5525966317550447 Energy: 0.5518533223114396 Energy: 0.5525966317553691 Energy: 0.551853322311764 Energy: 0.5165145603625968 Energy: 0.5322380007503029 Energy: 0.5165145603600012 Energy: 0.5322380007493296 Energy: 0.5165145603460499 Energy: 0.5322380007509518 Energy: 0.49910021000450966 Energy: 0.5082822235199042 Energy: 0.4991002100038608 Energy: 0.5091454824160477 Energy: 0.4991002100041852 Energy: 0.5082822223316587 Energy: 0.4796477812667795 Energy: 0.472838469138829 Energy: 0.47964778126710395 Energy: 0.472838469138829 Energy: 0.4796477812674284 Energy: 0.47283846913850447 Energy: 0.5221914073277768 Energy: 0.49375445247134986 Energy: 0.5221914073277768 Energy: 0.4937543735883842 Energy: 0.5221914073277768 Energy: 0.49375446519574556 Energy: 0.595764715486568 Energy: 0.5009192230624085 Energy: 0.5957647154852702 Energy: 0.5009192230620841 Energy: 0.595764715486568 Energy: 0.5009192230617597 Energy: 0.4620584709769031 Energy: 0.535751813563854 Energy: 0.46205847097722763 Energy: 0.5357518135641784 Energy: 0.4620584709769031 Energy: 0.5357518135641784 Energy: 0.5025489966304333 Energy: 0.5379019756519814 Energy: 0.5025489966284865 Energy: 0.5379019756519814 Energy: 0.502548996628811 Energy: 0.5379019756516569 Energy: 0.5251870807928601 Energy: 0.5173401069208483 Energy: 0.52518708079578 Energy: 0.5025492269084458 Energy: 0.5251870807944823 Energy: 0.49316656481268895 Energy: 0.5224967766177362 Energy: 0.5012871326534238 Energy: 0.5224967766177362 Energy: 0.5012871326537482 Energy: 0.5224967766177362 Energy: 0.5012871326530993 Energy: 0.4783788786291107 Energy: 0.47528618135903616 Energy: 0.4783788786284618 Energy: 0.47528618135903616 Energy: 0.4783788786284618 Energy: 0.47528618135871176 Energy: 0.47865530109110244 Energy: 0.6249694767274419 Energy: 0.4786553010917513 Energy: 0.6249694767274419 Energy: 0.47865530109110244 Energy: 0.6249694767274419 Energy: 0.5290685633700041 Energy: 0.519823877252194 Energy: 0.5290685633700041 Energy: 0.5295247059499927 Energy: 0.529068563370653 Energy: 0.5295247059499927 Energy: 0.5436154414703194 Energy: 0.5124324774926686 Energy: 0.5436154414703194 Energy: 0.5124324774926686 Energy: 0.5436154414699949 Energy: 0.5124324774926686 Energy: 0.5293409961603136 Energy: 0.512986739454156 Energy: 0.5293409961612869 Energy: 0.5129867394538316 Energy: 0.5293409961603136 Energy: 0.5129867394538316 Energy: 0.4787185335728605 Energy: 0.6251363636141365 Energy: 0.47871853357318495 Energy: 0.625136363613812 Energy: 0.4787185335735094 Energy: 0.6251363636141365 Energy: 0.47836980327849005 Energy: 0.47528088994888273 Energy: 0.47836980327816564 Energy: 0.47528088994888273 Energy: 0.47836980327849005 Energy: 0.47528088994920725 Energy: 0.5224741183024868 Energy: 0.5009039437021181 Energy: 0.5224741183028112 Energy: 0.5009039437017937 Energy: 0.5224741183028112 Energy: 0.5009039437021181 minimum gb energy = 0.4620473545399372 eV minimum distance = 2.63028274937828 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.32790858154811015 Energy: 0.31943252071207673 Energy: 0.2825696614983447 Energy: 0.31943252071207673 Energy: 0.32790858154884867 Energy: 0.31943252071207673 Energy: 0.376431226892771 Energy: 0.3149161061466924 Energy: 0.376431226892771 Energy: 0.3149161061466924 Energy: 0.376431226892771 Energy: 0.3149161061459539 Energy: 0.33619247356398424 Energy: 0.46541090773503613 Energy: 0.33619247356324566 Energy: 0.465410907740206 Energy: 0.33619247356398424 Energy: 0.4654109077224806 Energy: 0.32116332651518353 Energy: 0.2826804275806603 Energy: 0.32116332651518353 Energy: 0.2826804275806603 Energy: 0.32116332651518353 Energy: 0.2826804275806603 Energy: 0.3408809093754537 Energy: 0.3753332089017065 Energy: 0.3408809093754537 Energy: 0.3753332089017065 Energy: 0.34088090937619225 Energy: 0.37533320890244504 Energy: 0.2828084233505384 Energy: 0.3403138277484697 Energy: 0.2828084233505384 Energy: 0.3403138277484697 Energy: 0.2828084233505384 Energy: 0.34031382775068536 Energy: 0.2827970162100351 Energy: 0.3067610142319152 Energy: 0.2827970162100351 Energy: 0.3067610142319152 Energy: 0.2827970162100351 Energy: 0.3067610142319152 Energy: 0.3765151957290953 Energy: 0.3402831702544362 Energy: 0.3765151957290953 Energy: 0.3402831702544362 Energy: 0.3765151957290953 Energy: 0.3402831702544362 Energy: 0.32106199325583507 Energy: 0.28268649881815017 Energy: 0.32106199325509654 Energy: 0.28268649881815017 Energy: 0.32106199325509654 Energy: 0.28268649881962726 Energy: 0.30272385716139427 Energy: 0.372642250057355 Energy: 0.30272385716139427 Energy: 0.37264225005661644 Energy: 0.30272385716139427 Energy: 0.37264225005661644 Energy: 0.34105746198381753 Energy: 0.314986362030795 Energy: 0.34105746198381753 Energy: 0.31498636203150004 Energy: 0.34105746198381753 Energy: 0.314986362030795 Energy: 0.32790858154884867 Energy: 0.31943252071281525 Energy: 0.2825696614968676 Energy: 0.31943252071281525 Energy: 0.32790858154884867 Energy: 0.31943252071207673 Energy: 0.376431226892771 Energy: 0.3149161061466924 Energy: 0.376431226892771 Energy: 0.3149161061466924 Energy: 0.376431226892771 Energy: 0.3149161061466924 Energy: 0.33619247356324566 Energy: 0.46541090769666454 Energy: 0.33619247356324566 Energy: 0.4654109077062658 Energy: 0.33619247356324566 Energy: 0.46541090770774296 Energy: 0.321163326514445 Energy: 0.2826804275806603 Energy: 0.32116332651518353 Energy: 0.2826804275806603 Energy: 0.321163326514445 Energy: 0.28268042758139883 Energy: 0.3408809093754537 Energy: 0.3753332089017065 Energy: 0.3408809093754537 Energy: 0.3753332089017065 Energy: 0.34088090937619225 Energy: 0.37533320890244504 Energy: 0.2828084233505384 Energy: 0.34031382774920826 Energy: 0.2828084233505384 Energy: 0.34031382774920826 Energy: 0.2828084233505384 Energy: 0.34031382775068536 Energy: 0.2827970162100351 Energy: 0.3067610142311766 Energy: 0.2827970162100351 Energy: 0.3067610142311766 Energy: 0.2827970162100351 Energy: 0.3067610142311766 Energy: 0.3765151957298339 Energy: 0.3402831702544362 Energy: 0.3765151957290953 Energy: 0.3402831702544362 Energy: 0.3765151957298339 Energy: 0.3402831702536976 minimum gb energy = 0.2825696614968676 eV minimum distance = 2.74524268639276 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4959907145190852 Energy: 0.4983586628593635 Energy: 0.4959907145190852 Energy: 0.49835866285990454 Energy: 0.49599071451962623 Energy: 0.4983586628593635 Energy: 0.5436157021827664 Energy: 0.4816530140152397 Energy: 0.5436157021833076 Energy: 0.4816530140152397 Energy: 0.5436157021827664 Energy: 0.4816530140152397 Energy: 0.534991352003047 Energy: 0.596511421804728 Energy: 0.5349913520035879 Energy: 0.5965114218052691 Energy: 0.5349913520035879 Energy: 0.596511421804187 Energy: 0.5073938198858379 Energy: 0.47280909228047024 Energy: 0.5073938198858379 Energy: 0.47280909228047024 Energy: 0.5073938198858379 Energy: 0.47280909228047024 Energy: 0.4896281083332622 Energy: 0.4361536601256711 Energy: 0.4896281083321801 Energy: 0.4361536601251301 Energy: 0.4896281083327212 Energy: 0.4361536601251301 Energy: 0.4944178291292749 Energy: 0.4714256300309991 Energy: 0.4944178291292749 Energy: 0.47142563003045806 Energy: 0.4944178291303569 Energy: 0.4714256300315401 Energy: 0.48435572093189155 Energy: 0.5003026262111898 Energy: 0.48435572093351464 Energy: 0.500302626217682 Energy: 0.45308904672406214 Energy: 0.5003026262182231 Energy: 0.48924768306269467 Energy: 0.43435850447064356 Energy: 0.48924768306323574 Energy: 0.43435850447010255 Energy: 0.48924768306269467 Energy: 0.43435850447010255 Energy: 0.4899231221902271 Energy: 0.4330121847205053 Energy: 0.4899231221902271 Energy: 0.43301218472104624 Energy: 0.48992312219076806 Energy: 0.43301218472104624 Energy: 0.4362867779763185 Energy: 0.5678869194885064 Energy: 0.4362867779763185 Energy: 0.5678869194890476 Energy: 0.4362867779768594 Energy: 0.5678869194885064 Energy: 0.5554778677244925 Energy: 0.531206436053237 Energy: 0.5554778677244925 Energy: 0.531206436053778 Energy: 0.5554778677244925 Energy: 0.531206436053237 Energy: 0.4757225425066737 Energy: 0.4378507585172252 Energy: 0.4757225425072147 Energy: 0.4378507585177662 Energy: 0.4757225425072147 Energy: 0.4378507585172252 Energy: 0.5047323961614196 Energy: 0.4732849483255202 Energy: 0.5047323961625017 Energy: 0.47328494832497914 Energy: 0.5047323961625017 Energy: 0.47328494832497914 Energy: 0.5128467193041101 Energy: 0.5833688490250785 Energy: 0.5128467193041101 Energy: 0.5833688490250785 Energy: 0.5128467193041101 Energy: 0.5833688490250785 Energy: 0.5373461391890427 Energy: 0.48352893738287533 Energy: 0.5373461391890427 Energy: 0.48352893738341635 Energy: 0.5373461391885016 Energy: 0.48352893738341635 Energy: 0.4964164154483168 Energy: 0.4957133123632554 Energy: 0.4964164154488578 Energy: 0.49571331236433747 Energy: 0.4964164154488578 Energy: 0.4957133123648785 Energy: 0.4561492737659551 Energy: 0.4814334545153156 Energy: 0.4561492737664961 Energy: 0.4814334545153156 Energy: 0.4561492737664961 Energy: 0.48143345451477465 Energy: 0.5796302086104452 Energy: 0.5817074885039526 Energy: 0.5796302086104452 Energy: 0.5817074885034115 Energy: 0.5796302086104452 Energy: 0.5817074885039526 Energy: 0.5054994514431741 Energy: 0.47316778521189296 Energy: 0.505499451442633 Energy: 0.47316778521135205 Energy: 0.505499451441551 Energy: 0.47316778521189296 Energy: 0.48165087796353584 Energy: 0.45887789281377905 Energy: 0.48165087796353584 Energy: 0.45887789281377905 Energy: 0.48165087796353584 Energy: 0.45887789281377905 Energy: 0.4357388960879515 Energy: 0.4795846419511084 Energy: 0.4357388960879515 Energy: 0.47958464195002637 Energy: 0.4357388960884926 Energy: 0.4795846419511084 Energy: 0.47771470352265716 Energy: 0.5036932945549718 Energy: 0.47771470352265716 Energy: 0.5036932945555128 Energy: 0.47771470352265716 Energy: 0.5036932945555128 Energy: 0.4903480177652527 Energy: 0.48450923921227435 Energy: 0.4903480177647118 Energy: 0.48450923921227435 Energy: 0.49034801776417075 Energy: 0.4845092392128153 Energy: 0.49199647296862375 Energy: 0.46285087285953025 Energy: 0.49199647296808274 Energy: 0.46285087286007126 Energy: 0.49199647296808274 Energy: 0.46285087285953025 Energy: 0.4355073270132081 Energy: 0.5700745781411128 Energy: 0.4355073270137491 Energy: 0.5700745781405717 Energy: 0.4355073270132081 Energy: 0.5700745781405717 Energy: 0.6571373967463432 Energy: 0.5317688636644902 Energy: 0.6571373967463432 Energy: 0.5317688636650311 Energy: 0.6571373967463432 Energy: 0.5317688636650311 minimum gb energy = 0.4330121847205053 eV minimum distance = 2.59108252068835 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5424389457928759 Energy: 0.4686095853710471 Energy: 0.5424389457928759 Energy: 0.4686095853710471 Energy: 0.5424389457928759 Energy: 0.4686095853706207 Energy: 0.562275282348348 Energy: 0.5263978263391107 Energy: 0.562275282348348 Energy: 0.5263978263395372 Energy: 0.562275282348348 Energy: 0.5263978263395372 Energy: 0.598697235207225 Energy: 0.5831908442020535 Energy: 0.598697235207225 Energy: 0.5831908442029061 Energy: 0.5986972352076515 Energy: 0.5831908442007742 Energy: 0.5207014923244511 Energy: 0.46123754661930405 Energy: 0.5207014923244511 Energy: 0.46123754661930405 Energy: 0.5207014923244511 Energy: 0.46123754661973043 Energy: 0.449948796943693 Energy: 0.4832262692559119 Energy: 0.449948796943693 Energy: 0.4832262692559119 Energy: 0.449948796943693 Energy: 0.4832262692559119 Energy: 0.5387107360203216 Energy: 0.5343552648100943 Energy: 0.5387107360203216 Energy: 0.5343552648096679 Energy: 0.5387107360203216 Energy: 0.5343552648096679 Energy: 0.48424933362443134 Energy: 0.5928013172448773 Energy: 0.4842493336248577 Energy: 0.5928013172448773 Energy: 0.4842493336248577 Energy: 0.5928013172448773 Energy: 0.46012956972301966 Energy: 0.4612992969058715 Energy: 0.46012956972301966 Energy: 0.4612992969058715 Energy: 0.46012956972301966 Energy: 0.4612992969054452 Energy: 0.45076673384375676 Energy: 0.4616618986738281 Energy: 0.45076673384375676 Energy: 0.4616618986734017 Energy: 0.45076673384375676 Energy: 0.4616618986738281 Energy: 0.5270707228443703 Energy: 0.5393857392421455 Energy: 0.5270707228447967 Energy: 0.5393857392421455 Energy: 0.527070722843944 Energy: 0.5393857392417192 Energy: 0.5270030662019307 Energy: 0.5383597811392531 Energy: 0.5270030662019307 Energy: 0.5383597811392531 Energy: 0.5270030662019307 Energy: 0.5383597811396794 Energy: 0.45111519508429454 Energy: 0.5164144262277887 Energy: 0.45111519508429454 Energy: 0.5264294377941138 Energy: 0.45111519508386816 Energy: 0.4985419508439562 Energy: 0.4617237159571235 Energy: 0.4626438986763951 Energy: 0.4617237159566971 Energy: 0.4626438986763951 Energy: 0.4617237159571235 Energy: 0.4626438986763951 Energy: 0.44869569862634306 Energy: 0.5281054564606222 Energy: 0.44869569862634306 Energy: 0.5281054564610487 Energy: 0.44869569862634306 Energy: 0.5281054564610487 Energy: 0.5391824568334438 Energy: 0.5346637043528991 Energy: 0.5391824568342966 Energy: 0.5346637043533254 Energy: 0.5391824568330174 Energy: 0.5346637043528991 Energy: 0.45144590777441185 Energy: 0.5127143965759933 Energy: 0.45144590777441185 Energy: 0.5206685575252545 Energy: 0.45144590777441185 Energy: 0.5206685575252545 Energy: 0.4605452924554227 Energy: 0.46273895163447704 Energy: 0.4605452924554227 Energy: 0.46273895163447704 Energy: 0.4605452924554227 Energy: 0.46273895163447704 Energy: 0.5402868889213529 Energy: 0.5842978667630521 Energy: 0.5402868889213529 Energy: 0.5842978667630521 Energy: 0.5402868889213529 Energy: 0.5842978667626257 Energy: 0.5285204530846825 Energy: 0.5255418825860315 Energy: 0.5285204530846825 Energy: 0.5255418825860315 Energy: 0.5285204530842561 Energy: 0.5255418825860315 Energy: 0.5443314210195289 Energy: 0.5137893657531418 Energy: 0.5443314210195289 Energy: 0.5137893657527155 Energy: 0.5443314210195289 Energy: 0.5137893657527155 Energy: 0.4509685262214837 Energy: 0.5272151699132117 Energy: 0.4509685262214837 Energy: 0.5272151699127854 Energy: 0.4509685262214837 Energy: 0.5272151699132117 Energy: 0.5081117437278204 Energy: 0.6496095957100214 Energy: 0.5081117437269677 Energy: 0.649609595709595 Energy: 0.5081117437273941 Energy: 0.6496095957078895 Energy: 0.5207129583215152 Energy: 0.45729567825790796 Energy: 0.5207129583215152 Energy: 0.45729567825790796 Energy: 0.5207129583215152 Energy: 0.4572956782566287 Energy: 0.4513117232209169 Energy: 0.5151216714729268 Energy: 0.4513117232204905 Energy: 0.5151216714733533 Energy: 0.4513117232204905 Energy: 0.5151216714729268 Energy: 0.4458188256509186 Energy: 0.5440529474890462 Energy: 0.4458188256504922 Energy: 0.5440529474890462 Energy: 0.4458188256504922 Energy: 0.5440529474890462 Energy: 0.4830510314657468 Energy: 0.5462276258438999 Energy: 0.48305103146617323 Energy: 0.5462276258434736 Energy: 0.48305103146617323 Energy: 0.5462276258443264 Energy: 0.4626301828691676 Energy: 0.4570308952961179 Energy: 0.46263018286874125 Energy: 0.4570308952961179 Energy: 0.4626301828691676 Energy: 0.4570308952961179 Energy: 0.45126898141090166 Energy: 0.5076151582849694 Energy: 0.4512689814113281 Energy: 0.5076151582849694 Energy: 0.4512689814113281 Energy: 0.5076151582849694 Energy: 0.5298111328889847 Energy: 0.5324701918067836 Energy: 0.5298111328894113 Energy: 0.5324701918063572 Energy: 0.5298111328894113 Energy: 0.5324701918067836 Energy: 0.5707121228207509 Energy: 0.5139172442662351 Energy: 0.570712122819898 Energy: 0.5139172442666615 Energy: 0.5707121228194716 Energy: 0.5139172442666615 Energy: 0.44716042258837846 Energy: 0.5004822419042733 Energy: 0.44716042258837846 Energy: 0.5004822419042733 Energy: 0.44716042258837846 Energy: 0.5004822419038467 Energy: 0.4608957166055456 Energy: 0.46112499340992263 Energy: 0.4608957166055456 Energy: 0.46112499340992263 Energy: 0.4608957166055456 Energy: 0.46112499340992263 Energy: 0.4454160711903697 Energy: 0.5226887191413276 Energy: 0.4454160711899433 Energy: 0.5226887191413276 Energy: 0.4454160711903697 Energy: 0.5226887191413276 minimum gb energy = 0.4454160711899433 eV minimum distance = 2.63587055609261 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.48867691136166763 Energy: 0.4700966863846158 Energy: 0.4886769113631639 Energy: 0.4700966863846158 Energy: 0.4886769113628647 Energy: 0.47009668638431656 Energy: 0.5649228200865424 Energy: 0.46313700378311695 Energy: 0.5649228200862432 Energy: 0.4631370037828176 Energy: 0.5649228200865424 Energy: 0.4631370037828176 Energy: 0.6176215314042922 Energy: 0.5923652103349748 Energy: 0.6176215314033944 Energy: 0.5923652103361717 Energy: 0.6176215314039929 Energy: 0.5923652103367704 Energy: 0.5189182835452273 Energy: 0.4698491762859786 Energy: 0.5189182835449282 Energy: 0.46984917628627787 Energy: 0.5189182835464244 Energy: 0.4698491762868764 Energy: 0.4653600596155511 Energy: 0.614559584463136 Energy: 0.46536005961585036 Energy: 0.6145595844625376 Energy: 0.4653600596155511 Energy: 0.6145595844628366 Energy: 0.5892893885266299 Energy: 0.47608711956794264 Energy: 0.5892893885257322 Energy: 0.4760871195676434 Energy: 0.5892893885266299 Energy: 0.47608711956973815 Energy: 0.5122383248602174 Energy: 0.578659769775402 Energy: 0.5122383248605166 Energy: 0.5786597697801902 Energy: 0.5122383248602174 Energy: 0.5786597697780953 Energy: 0.5359279865508145 Energy: 0.5710399270908707 Energy: 0.5359279865508145 Energy: 0.5710399270908707 Energy: 0.5359279865511138 Energy: 0.5710399270908707 Energy: 0.5047001751617245 Energy: 0.47493856494998965 Energy: 0.5047001751629214 Energy: 0.47493856495028897 Energy: 0.5047001751617245 Energy: 0.47493856494998965 Energy: 0.6153502150908597 Energy: 0.47508382215167116 Energy: 0.6153502150902611 Energy: 0.47508382215167116 Energy: 0.6153502150902611 Energy: 0.47508382215167116 Energy: 0.5232101501670908 Energy: 0.523106817148828 Energy: 0.52321015016739 Energy: 0.5231068171491272 Energy: 0.5232101501676893 Energy: 0.5231068171491272 Energy: 0.6152812291258016 Energy: 0.4695575295905649 Energy: 0.6152812291255025 Energy: 0.4695575295911635 Energy: 0.6152812291258016 Energy: 0.4695575295905649 Energy: 0.47488619393096365 Energy: 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Energy: 0.46607167957518303 Energy: 0.4597452831344253 Energy: 0.46607167957518303 Energy: 0.47121646016196017 Energy: 0.588513893882931 Energy: 0.47121646016166097 Energy: 0.5885138938832303 Energy: 0.4712164601613617 Energy: 0.5885138938838288 Energy: 0.5456328082388511 Energy: 0.5110803739502736 Energy: 0.5456328082388511 Energy: 0.5110803739502736 Energy: 0.5456328082388511 Energy: 0.5110803739499744 Energy: 0.49081580752984333 Energy: 0.4728260918167714 Energy: 0.49081580752894555 Energy: 0.47282609181647217 Energy: 0.4908158075295441 Energy: 0.4728260918158736 Energy: 0.4760549717052773 Energy: 0.6238652861793312 Energy: 0.4760549717070728 Energy: 0.6238652861784334 Energy: 0.4760549717055765 Energy: 0.6238652861802289 Energy: 0.4767502825814054 Energy: 0.6043624680624357 Energy: 0.4767502825811061 Energy: 0.6043624680609392 Energy: 0.4767502825808069 Energy: 0.604362468061837 Energy: 0.518558491774471 Energy: 0.46092098922759617 Energy: 0.5185584917777628 Energy: 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Energy: 0.46793083716416145 Energy: 0.6164876134825472 Energy: 0.5185355139700902 Energy: 0.46091070804065315 Energy: 0.5185355139700902 Energy: 0.46091070804035383 Energy: 0.5185355139703895 Energy: 0.46091070804005463 Energy: 0.4765603621981886 Energy: 0.6041757289970967 Energy: 0.47656036219878717 Energy: 0.6041757289964982 Energy: 0.4765603621978894 Energy: 0.6041757289970967 Energy: 0.4760464623096443 Energy: 0.6238597282698999 Energy: 0.476046462309345 Energy: 0.6238597282704984 Energy: 0.4760464623099436 Energy: 0.6238597282707977 Energy: 0.49096712819005095 Energy: 0.4727501319563552 Energy: 0.4909671281894524 Energy: 0.47275013195665444 Energy: 0.4909671281888539 Energy: 0.47275013195605586 Energy: 0.5455500355975579 Energy: 0.5110475294705561 Energy: 0.5455500355975579 Energy: 0.5110475294705561 Energy: 0.5455500355981564 Energy: 0.5110475294708554 Energy: 0.4712879273404357 Energy: 0.5885100627750165 Energy: 0.47128792734013647 Energy: 0.5885100627750165 Energy: 0.47128792734013647 Energy: 0.5885100627753157 Energy: 0.4600633440444878 Energy: 0.46614010720518395 Energy: 0.46006334404209376 Energy: 0.46614010720578253 Energy: 0.46006334404299154 Energy: 0.46614010720548327 Energy: 0.467926607389524 Energy: 0.519598135294763 Energy: 0.46792660738832703 Energy: 0.5195981352941644 Energy: 0.4679266073892248 Energy: 0.5195981352941644 Energy: 0.5671775118780368 Energy: 0.5530677064107798 Energy: 0.5671775118783361 Energy: 0.5530677064110792 Energy: 0.5671775118777375 Energy: 0.5530677064116776 Energy: 0.46316571232442116 Energy: 0.5487335750299155 Energy: 0.46316571232442116 Energy: 0.5487335750299155 Energy: 0.4631657123241219 Energy: 0.5487335750296162 minimum gb energy = 0.4588433223668373 eV minimum distance = 2.62916288200843 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.4414863951982624 Energy: 0.4283644964412579 Energy: 0.4414863951982624 Energy: 0.4283644964412579 Energy: 0.4414863951976714 Energy: 0.4283644964418716 Energy: 0.40506437764107683 Energy: 0.39196468231767323 Energy: 0.40506437764107683 Energy: 0.39196468231767323 Energy: 0.4050643776412814 Energy: 0.39196468231767323 Energy: 0.5809815450639788 Energy: 0.6313671034980582 Energy: 0.5809815450641607 Energy: 0.6313671034980582 Energy: 0.6147685275049136 Energy: 0.6313671034978536 Energy: 0.40505684732659264 Energy: 0.39195049550663325 Energy: 0.4050568473267972 Energy: 0.3919504955068378 Energy: 0.4050568473267972 Energy: 0.39195049550701966 Energy: 0.4414863951970578 Energy: 0.428364496441667 Energy: 0.4414863951978532 Energy: 0.4283644964418716 Energy: 0.4414863951978532 Energy: 0.4283644964418716 Energy: 0.40506437764148595 Energy: 0.3919646823178778 Energy: 0.4050643776412814 Energy: 0.39196468231767323 Energy: 0.4050643776416678 Energy: 0.39196468231767323 Energy: 0.39291249217209606 Energy: 0.6313671034976491 Energy: 0.39291249217209606 Energy: 0.6313671034978536 Energy: 0.39291249217209606 Energy: 0.6313671034978536 minimum gb energy = 0.39195049550663325 eV minimum distance = 2.66928794186561 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.6151325075211208 Energy: 0.4897590765834202 Energy: 0.6151325075208733 Energy: 0.4897590765834202 Energy: 0.6151325075214178 Energy: 0.4897590765828758 Energy: 0.5204168601043508 Energy: 0.4696272162395734 Energy: 0.520416860103262 Energy: 0.4696272162390291 Energy: 0.5204168601043508 Energy: 0.46962721623932596 Energy: 0.5364830374827412 Energy: 0.6308013696035991 Energy: 0.5364830374832855 Energy: 0.6308013696038961 Energy: 0.5364830374832855 Energy: 0.6308013696035991 Energy: 0.5550451771623692 Energy: 0.4858831590371516 Energy: 0.5550451771629135 Energy: 0.4895458777158262 Energy: 0.5550451771626167 Energy: 0.4895458777155293 Energy: 0.5107875499389878 Energy: 0.5499789952996185 Energy: 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Energy: 0.5693452186905408 Energy: 0.4802405212992367 Energy: 0.5693452186919263 Energy: 0.48024052130062234 Energy: 0.5693452186908378 Energy: 0.48024052129898936 Energy: 0.5881347719902259 Energy: 0.47921679794618016 Energy: 0.5881347719913145 Energy: 0.47921679794563593 Energy: 0.5881347719913145 Energy: 0.47921679794533895 Energy: 0.5780289505132067 Energy: 0.4701464211836461 Energy: 0.5780289505123655 Energy: 0.4701464211833986 Energy: 0.5780289505129097 Energy: 0.4701464211828544 Energy: 0.5448347315623806 Energy: 0.5279913502534822 Energy: 0.5448347315612919 Energy: 0.5279913502537296 Energy: 0.5448347315618364 Energy: 0.5279913502529378 Energy: 0.6135483812504138 Energy: 0.5339940194476878 Energy: 0.6135483812487806 Energy: 0.5339940194473909 Energy: 0.6135483812506611 Energy: 0.5339940194482322 Energy: 0.5527162027875928 Energy: 0.5535969571573774 Energy: 0.5527162027875928 Energy: 0.5535969571573774 Energy: 0.5527162027872959 Energy: 0.5535969571570805 Energy: 0.5194529553734912 Energy: 0.6074028970246745 Energy: 0.5194529553734912 Energy: 0.6074028970246745 Energy: 0.5194529553729469 Energy: 0.6074028970241303 Energy: 0.5246136686607039 Energy: 0.5390682382259836 Energy: 0.5246136686604069 Energy: 0.5390682382262806 Energy: 0.5246136686604069 Energy: 0.539068238226528 Energy: 0.6476621211361833 Energy: 0.48749044076595777 Energy: 0.6476621211353916 Energy: 0.4874904407656609 Energy: 0.6476621211353916 Energy: 0.4874904407656609 Energy: 0.4740354205183666 Energy: 0.6184870074986696 Energy: 0.474035420518911 Energy: 0.6184870074992138 Energy: 0.47403542051866354 Energy: 0.6184870074994613 Energy: 0.5194401992558458 Energy: 0.6073265425626686 Energy: 0.5194400413212272 Energy: 0.6073265425632128 Energy: 0.5194400926214338 Energy: 0.607326542562916 Energy: 0.47634111156843484 Energy: 0.5381453046744349 Energy: 0.4763411115689791 Energy: 0.5381437732075794 Energy: 0.47634111156843484 Energy: 0.5381457504385883 Energy: 0.6468907354682146 Energy: 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Energy: 0.5095810990531798 Energy: 0.49539998223530635 Energy: 0.5095810990529324 Energy: 0.4953999822356032 Energy: 0.4762640546893219 Energy: 0.5402831156610155 Energy: 0.4762640546896188 Energy: 0.5402831156604712 Energy: 0.47626405468877764 Energy: 0.5402831156610155 Energy: 0.5532776242384703 Energy: 0.5576847760575036 Energy: 0.5532776242392621 Energy: 0.5576847760569592 Energy: 0.5532776242384703 Energy: 0.5576847760564149 Energy: 0.5248856732664199 Energy: 0.5591859897847166 Energy: 0.5248856732661229 Energy: 0.5591859897841721 Energy: 0.5248856732664199 Energy: 0.5591859897806587 minimum gb energy = 0.46488742737487443 eV minimum distance = 2.56522369352521 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.5845516016096035 Energy: 0.5240529896937286 Energy: 0.5569950316361552 Energy: 0.5240529896937286 Energy: 0.5845516016084827 Energy: 0.5240529896941023 Energy: 0.5168171556668396 Energy: 0.5587292159178178 Energy: 0.5168171556679603 Energy: 0.5587292159174443 Energy: 0.5168171556694545 Energy: 0.5587292159174443 Energy: 0.5917155951381856 Energy: 0.4710353976023673 Energy: 0.5753787154442667 Energy: 0.47103539760124663 Energy: 0.5917155951389327 Energy: 0.4710353976016202 Energy: 0.4912915019071876 Energy: 0.5303368325921508 Energy: 0.4912915019071876 Energy: 0.5303368325925244 Energy: 0.4912915019071876 Energy: 0.5303368325921508 Energy: 0.5243875653050944 Energy: 0.5351684557542874 Energy: 0.5243875653047209 Energy: 0.5351684557557816 Energy: 0.524387565305468 Energy: 0.5351684557554082 Energy: 0.49350302606212204 Energy: 0.48921199870873494 Energy: 0.49350302606174845 Energy: 0.48921199870910853 Energy: 0.4935030260624956 Energy: 0.48921199870910853 Energy: 0.5261646854948903 Energy: 0.48947828153205625 Energy: 0.5261727730871395 Energy: 0.4894782815309357 Energy: 0.5261646854941432 Energy: 0.4894782815309357 Energy: 0.5834133822554466 Energy: 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Energy: 0.5437087925188457 Energy: 0.5290964894816518 Energy: 0.5437087925076394 Energy: 0.48659300656907806 Energy: 0.5654593782241688 Energy: 0.4865930065735607 Energy: 0.5654593782237952 Energy: 0.48659300658289945 Energy: 0.5654593782237952 Energy: 0.5314689303289356 Energy: 0.5276236545231984 Energy: 0.5094944265378876 Energy: 0.5276236545228248 Energy: 0.5314689303281885 Energy: 0.5276236545224513 Energy: 0.5371554349304134 Energy: 0.520342819754846 Energy: 0.5145174374288333 Energy: 0.5203428197537253 Energy: 0.5371554349319075 Energy: 0.5203428197537253 Energy: 0.6347452929010731 Energy: 0.5822302039411752 Energy: 0.634745292900326 Energy: 0.5822302039400546 Energy: 0.6347452928995788 Energy: 0.5822302039400546 Energy: 0.5244570552199996 Energy: 0.562641354234682 Energy: 0.5244570552199996 Energy: 0.562641354234682 Energy: 0.524457055219626 Energy: 0.5626413542343085 Energy: 0.46830191647895975 Energy: 0.6383963771659928 Energy: 0.4683019164804539 Energy: 0.6383963771648722 Energy: 0.4683019164800803 Energy: 0.6383963771652458 Energy: 0.5245081963204467 Energy: 0.49166705012866346 Energy: 0.5245081963204467 Energy: 0.49166705012941053 Energy: 0.5245081963208202 Energy: 0.49166705012941053 Energy: 0.5382644553300752 Energy: 0.4893440306104477 Energy: 0.5382676015774402 Energy: 0.4893440306119418 Energy: 0.5382644553289545 Energy: 0.48934403061231535 Energy: 0.56345738333484 Energy: 0.5157980898773473 Energy: 0.5634563182594083 Energy: 0.5157980898773473 Energy: 0.5634573833340929 Energy: 0.5157980898773473 Energy: 0.46664040976954013 Energy: 0.48427952948805836 Energy: 0.46664040976094845 Energy: 0.48427952948880554 Energy: 0.4666404098008843 Energy: 0.4842795294891791 Energy: 0.5303146989782963 Energy: 0.4666995654338317 Energy: 0.5303146989786699 Energy: 0.46669956543569946 Energy: 0.5303146989790435 Energy: 0.4666995654353259 Energy: 0.5321222038229835 Energy: 0.5244411541232628 Energy: 0.5321222038229835 Energy: 0.5244411541221421 Energy: 0.5321222038229835 Energy: 0.5244411541210215 Energy: 0.46717834699173993 Energy: 0.5308490802872958 Energy: 0.46717834699211347 Energy: 0.5308490802884165 Energy: 0.46717834699061933 Energy: 0.5308490802884165 Energy: 0.4683654117288724 Energy: 0.5075539021712914 Energy: 0.4683654117296196 Energy: 0.507553902172412 Energy: 0.46836541172812535 Energy: 0.5075539021727855 Energy: 0.5536677741764943 Energy: 0.6820497755969368 Energy: 0.5536684330436284 Energy: 0.6820497755954427 Energy: 0.5536677741768679 Energy: 0.6820497755961897 Energy: 0.5506606822393735 Energy: 0.5623273397306934 Energy: 0.5506606822386264 Energy: 0.5623273397303199 Energy: 0.5506606822386264 Energy: 0.5623273397303199 Energy: 0.5655643876338681 Energy: 0.5547141235388786 Energy: 0.5655643876334946 Energy: 0.5547141235381314 Energy: 0.5655643876327475 Energy: 0.554714123538505 Energy: 0.5268000321604454 Energy: 0.4889726379297936 Energy: 0.5268000321600718 Energy: 0.4889726379297936 Energy: 0.5268000321608189 Energy: 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0.5263327436462696 Energy: 0.5062267398834035 Energy: 0.5369940869313701 Energy: 0.5205376414630686 Energy: 0.5369940869313701 Energy: 0.5205376414626097 Energy: 0.5369940869313701 Energy: 0.5205376414630686 Energy: 0.5399460701487795 Energy: 0.5656285220313851 Energy: 0.5399460701483206 Energy: 0.565628522031844 Energy: 0.5399460701487795 Energy: 0.5656285220313851 Energy: 0.49316938082338124 Energy: 0.5249283277839173 Energy: 0.4931693808229224 Energy: 0.524928327784376 Energy: 0.49316938082338124 Energy: 0.524928327784376 Energy: 0.602887232414769 Energy: 0.4758780392785534 Energy: 0.6028872324152279 Energy: 0.47587803927992983 Energy: 0.6028872324152279 Energy: 0.475878039279471 Energy: 0.49801146111735556 Energy: 0.5770213003405029 Energy: 0.4980114611168967 Energy: 0.5770213003409617 Energy: 0.4980114611168967 Energy: 0.5770213003405029 Energy: 0.5936140151821646 Energy: 0.5204205547687388 Energy: 0.5936140151826235 Energy: 0.5204205547691977 Energy: 0.5936140151812469 Energy: 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0.5795778936097131 Energy: 0.5393257480123654 Energy: 0.5795778936092543 Energy: 0.5393257480123654 Energy: 0.579577893610172 Energy: 0.5393257480123654 Energy: 0.5614946782348926 Energy: 0.5389401727115198 Energy: 0.5614946782344337 Energy: 0.5389401727115198 Energy: 0.5614946782348926 Energy: 0.5389401727115198 Energy: 0.5288541179157209 Energy: 0.48202082695985726 Energy: 0.5288541179152619 Energy: 0.48202082695985726 Energy: 0.5288541179152619 Energy: 0.48202082696031606 Energy: 0.4997950502839082 Energy: 0.5498742719691209 Energy: 0.4997950502839082 Energy: 0.5498742719691209 Energy: 0.4997950502834493 Energy: 0.5498742719695798 Energy: 0.5641783600718203 Energy: 0.5393128855200677 Energy: 0.5641783600722792 Energy: 0.5393128855200677 Energy: 0.5641783600718203 Energy: 0.5393128855200677 Energy: 0.476043361961286 Energy: 0.558908191922167 Energy: 0.4760433619622037 Energy: 0.558908191922167 Energy: 0.4760433619622037 Energy: 0.558908191922167 Energy: 0.5300968381893916 Energy: 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Energy: 0.5247488809584172 Energy: 0.5386455250596744 Energy: 0.5247488809597938 Energy: 0.5386455250592155 Energy: 0.5382413197150108 Energy: 0.5207229223519981 Energy: 0.5382413197154696 Energy: 0.5207229223519981 Energy: 0.5382413197150108 Energy: 0.5207229223519981 minimum gb energy = 0.47500322476236045 eV minimum distance = 2.65624537808042 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5318887607715064 Energy: 0.4795476969492747 Energy: 0.5318887607715064 Energy: 0.4795476969492747 Energy: 0.5318887607709123 Energy: 0.47954769694986876 Energy: 0.5067760596203366 Energy: 0.4534846075348381 Energy: 0.5067760596209306 Energy: 0.4534846075348381 Energy: 0.5067760596209306 Energy: 0.4534846075348381 Energy: 0.5427420415470735 Energy: 0.5650205457307045 Energy: 0.5427420415470735 Energy: 0.5650205457312986 Energy: 0.5427420415476676 Energy: 0.5650205457312986 Energy: 0.6511165512545187 Energy: 0.5019487977886383 Energy: 0.6511165512539246 Energy: 0.5019487977886383 Energy: 0.6511165512539246 Energy: 0.5019487977886383 Energy: 0.6467640205807691 Energy: 0.5686448665418097 Energy: 0.6467640205813632 Energy: 0.5686448665418097 Energy: 0.6467640205813632 Energy: 0.5686448665418097 Energy: 0.5420593632880482 Energy: 0.5104260054882523 Energy: 0.5420593632886421 Energy: 0.5104260054882523 Energy: 0.5420593632880482 Energy: 0.5104260054882523 Energy: 0.5348229724327879 Energy: 0.5545472379105504 Energy: 0.5348229724327879 Energy: 0.5545472379105504 Energy: 0.5348229724327879 Energy: 0.5545472379105504 Energy: 0.5540539513014633 Energy: 0.4804504112610752 Energy: 0.5540539513014633 Energy: 0.4804504112616693 Energy: 0.5540539513008693 Energy: 0.4804504112610752 Energy: 0.5936579419462393 Energy: 0.5270036270933377 Energy: 0.5936579419462393 Energy: 0.5270036270933377 Energy: 0.5936579419462393 Energy: 0.5270036270933377 Energy: 0.46049627931385495 Energy: 0.5093094664125143 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Energy: 0.5788670852513295 Energy: 0.5350101163769723 Energy: 0.5091577530131997 Energy: 0.5272785018936942 Energy: 0.5091577530126057 Energy: 0.5272785018936942 Energy: 0.5091577530126057 Energy: 0.5272785018936942 Energy: 0.5983353652849954 Energy: 0.516098375504575 Energy: 0.5983353652855895 Energy: 0.5160983682699001 Energy: 0.5983353652849954 Energy: 0.5160983679694218 minimum gb energy = 0.4534846075348381 eV minimum distance = 2.55438621276583 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.597013606034953 Energy: 0.4750625058588839 Energy: 0.597013606034953 Energy: 0.4750625058588839 Energy: 0.597013606034953 Energy: 0.4750625058597241 Energy: 0.5123580094706559 Energy: 0.4513327924488629 Energy: 0.5123580094706559 Energy: 0.45133279244802266 Energy: 0.5123580094706559 Energy: 0.4513327924488629 Energy: 0.5148094675924125 Energy: 0.5117323182797288 Energy: 0.5148094675932527 Energy: 0.5117323182797288 Energy: 0.5148094675932527 Energy: 0.5117323182797288 Energy: 0.5651759762432699 Energy: 0.4964666200855687 Energy: 0.5651759762424488 Energy: 0.4964666200855687 Energy: 0.5651759762424488 Energy: 0.4964666200855687 Energy: 0.5636074471523119 Energy: 0.5638659187333549 Energy: 0.563607447153152 Energy: 0.5638659187333549 Energy: 0.5636074471523119 Energy: 0.5638659187333549 Energy: 0.4822070008367714 Energy: 0.5098988565994336 Energy: 0.4822070008367714 Energy: 0.5098988565985934 Energy: 0.4822070008367714 Energy: 0.5098988565985934 Energy: 0.5097929344654591 Energy: 0.4552661747166984 Energy: 0.5097929344662994 Energy: 0.4552661747166984 Energy: 0.5097929344662994 Energy: 0.4552661747166984 Energy: 0.5650422014711416 Energy: 0.561998013711562 Energy: 0.5650422014711416 Energy: 0.561998013711562 Energy: 0.5650422014711416 Energy: 0.561998013711562 Energy: 0.4855188215441319 Energy: 0.45086993304748385 Energy: 0.48551882154329173 Energy: 0.45086993304748385 Energy: 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Energy: 0.5654461635223459 Energy: 0.4816883181605325 Energy: 0.6153816543485623 Energy: 0.4816883181605325 Energy: 0.6153816543485623 Energy: 0.4816883181605325 Energy: 0.6153816543485623 Energy: 0.4770550998166796 Energy: 0.5092625452053519 Energy: 0.4770550998166796 Energy: 0.5092625452053519 Energy: 0.4770550998166796 Energy: 0.5092625452053519 minimum gb energy = 0.43570245593435836 eV minimum distance = 2.62377138449321 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.5707541745354767 Energy: 0.44144424655875625 Energy: 0.5707541745358011 Energy: 0.44144424655843173 Energy: 0.5707541745351522 Energy: 0.44144424655778286 Energy: 0.4971138279733362 Energy: 0.4309032924598009 Energy: 0.4971138279733362 Energy: 0.4309032924598009 Energy: 0.4971138279733362 Energy: 0.4309032924594765 Energy: 0.4650032401385082 Energy: 0.49381253755103555 Energy: 0.4650032401381838 Energy: 0.49381253755071114 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Energy: 0.5497622001038376 Energy: 0.46563120566794086 Energy: 0.5497622001038376 Energy: 0.4656312056676164 Energy: 0.549762200104162 Energy: 0.5417646828004752 Energy: 0.5179252961262587 Energy: 0.5417646828004752 Energy: 0.5179252961262587 Energy: 0.5417646828004752 Energy: 0.5179252961262587 Energy: 0.49853917203066844 Energy: 0.4122400018839897 Energy: 0.49853917203066844 Energy: 0.41224000188236737 Energy: 0.49853917203034404 Energy: 0.4517242595386451 Energy: 0.45668149001114533 Energy: 0.45916338568710124 Energy: 0.4566814900114698 Energy: 0.45916338568710124 Energy: 0.45668149001114533 Energy: 0.45916338568645243 Energy: 0.5364770406274676 Energy: 0.5301764445366017 Energy: 0.5364770406274676 Energy: 0.5301764445369263 Energy: 0.5364770406274676 Energy: 0.5301764445369263 Energy: 0.496926591098836 Energy: 0.44446039615475164 Energy: 0.496926591098836 Energy: 0.44446039615475164 Energy: 0.4969265910981871 Energy: 0.44446039615475164 Energy: 0.4646399021678916 Energy: 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Energy: 0.4649556792502915 Energy: 0.45869087006212805 Energy: 0.4649556792497632 Energy: 0.4586908700626563 Energy: 0.4649556792502915 Energy: 0.4494471993106557 Energy: 0.4642941842541297 Energy: 0.449447199311184 Energy: 0.4642941842541297 Energy: 0.4494471993106557 Energy: 0.464294184254658 Energy: 0.5158114024458567 Energy: 0.44033058354309096 Energy: 0.5158114024453284 Energy: 0.44033058354256277 Energy: 0.5158114024458567 Energy: 0.44033058354256277 Energy: 0.5159632425648236 Energy: 0.40433368420307 Energy: 0.5159632425648236 Energy: 0.4043336842035982 Energy: 0.5159632425648236 Energy: 0.4043336842035982 Energy: 0.4358447095422064 Energy: 0.40650475680740183 Energy: 0.4358447095422064 Energy: 0.4065047568063453 Energy: 0.4358447095416781 Energy: 0.4065047568063453 Energy: 0.510206273196463 Energy: 0.43082623837937994 Energy: 0.510206273196463 Energy: 0.43082623837937994 Energy: 0.5102062731969912 Energy: 0.43082623837937994 Energy: 0.4967993018998344 Energy: 0.5041656513649859 Energy: 0.4967993018998344 Energy: 0.5041656513644578 Energy: 0.4967993018998344 Energy: 0.5041656513649859 Energy: 0.41331048570024653 Energy: 0.4083580310025766 Energy: 0.41331048570024653 Energy: 0.4083580310025766 Energy: 0.41331048570024653 Energy: 0.40835803100310497 Energy: 0.46702067416141485 Energy: 0.4179760551968611 Energy: 0.46702067416141485 Energy: 0.4179760551968611 Energy: 0.46702067416141485 Energy: 0.4179760551963329 Energy: 0.5034552667598151 Energy: 0.5039779410664226 Energy: 0.5034552667598151 Energy: 0.5039779410664226 Energy: 0.5034552667603435 Energy: 0.5039779410658943 Energy: 0.4264442090906056 Energy: 0.5080475479397716 Energy: 0.4264442090906056 Energy: 0.5080475479408281 Energy: 0.4264442090906056 Energy: 0.5080475479413564 Energy: 0.4656565257143791 Energy: 0.45128878344153833 Energy: 0.4656565257101528 Energy: 0.45128878344153833 Energy: 0.46565652570803967 Energy: 0.45128878344153833 Energy: 0.5173657759634238 Energy: 0.46912833779810115 Energy: 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Energy: 0.425981076978209 Energy: 0.41174325672421563 Energy: 0.425981076978209 Energy: 0.39900781748946984 Energy: 0.47723866079788135 Energy: 0.3990078174884133 Energy: 0.4772386607968247 Energy: 0.39900781748999814 Energy: 0.4772386607968247 minimum gb energy = 0.39143995419701966 eV minimum distance = 2.54172160051292 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.501130995412282 Energy: 0.37457322566958173 Energy: 0.501130995412282 Energy: 0.37457322566958173 Energy: 0.501130995412282 Energy: 0.3745732256691968 Energy: 0.40414826987710123 Energy: 0.41695510918184725 Energy: 0.40414826987787106 Energy: 0.41695510918146234 Energy: 0.4041482698774861 Energy: 0.41695510918184725 Energy: 0.39499253833298104 Energy: 0.41783211445006374 Energy: 0.39499253833298104 Energy: 0.41783211445006374 Energy: 0.39499253833259623 Energy: 0.41783211445006374 Energy: 0.47444797036034364 Energy: 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0.37641182119951333 Energy: 0.41484950316663505 Energy: 0.37641182119951333 Energy: 0.4148495031674049 Energy: 0.37641182119951333 Energy: 0.451900090342655 Energy: 0.44271128669059145 Energy: 0.4519000903438097 Energy: 0.44271128669097637 Energy: 0.4519000903434248 Energy: 0.44271128669097637 Energy: 0.37067052933709393 Energy: 0.4600228262107836 Energy: 0.3706705293374788 Energy: 0.4600228262107836 Energy: 0.37067052933670896 Energy: 0.4600228262103987 Energy: 0.4055149985285578 Energy: 0.3933918325383171 Energy: 0.4055149985285578 Energy: 0.3933918325387021 Energy: 0.40551499852817297 Energy: 0.3933918325387021 Energy: 0.46282954463935505 Energy: 0.4457268960747019 Energy: 0.46282954463935505 Energy: 0.4457268960747019 Energy: 0.46282954463935505 Energy: 0.4457268960747019 Energy: 0.38492605449692363 Energy: 0.49183032934681997 Energy: 0.38492605449653866 Energy: 0.491830329346435 Energy: 0.38492605449692363 Energy: 0.49183032934681997 Energy: 0.4209011557033116 Energy: 0.40601589676628386 Energy: 0.4209011557029267 Energy: 0.40601589676628386 Energy: 0.4209011557033116 Energy: 0.40601589676628386 Energy: 0.424157975618812 Energy: 0.400608649732139 Energy: 0.42415797561842716 Energy: 0.400608649732139 Energy: 0.424157975618812 Energy: 0.400608649732139 Energy: 0.42499426927655676 Energy: 0.49091446323879084 Energy: 0.4249942692761718 Energy: 0.49091446323879084 Energy: 0.42499426927578693 Energy: 0.49091446323879084 Energy: 0.4048952057710449 Energy: 0.4054988370833848 Energy: 0.4048952057710449 Energy: 0.4054988370833848 Energy: 0.4048952057710449 Energy: 0.40549883708261497 Energy: 0.40419437322960644 Energy: 0.3828719624335609 Energy: 0.4041943732292215 Energy: 0.38287196243394583 Energy: 0.40419437322960644 Energy: 0.38287196243394583 Energy: 0.3810344535149933 Energy: 0.46653345292367693 Energy: 0.3941001368020016 Energy: 0.4665334529240618 Energy: 0.38260768784891835 Energy: 0.4665334529240618 Energy: 0.3370942872665823 Energy: 0.3984328923251021 Energy: 0.33709428726696716 Energy: 0.3984328923251021 Energy: 0.3370942872673521 Energy: 0.3984328923247171 Energy: 0.3599609962489608 Energy: 0.3681087357492255 Energy: 0.3599609962489608 Energy: 0.3681087357492255 Energy: 0.3599609962493457 Energy: 0.3681087357492255 Energy: 0.3633067283881076 Energy: 0.45001697849669725 Energy: 0.3633067283881076 Energy: 0.45001697849669725 Energy: 0.3633067283877227 Energy: 0.45001697849631245 Energy: 0.39357684229659323 Energy: 0.48315502741216027 Energy: 0.39864534576493177 Energy: 0.48315502741216027 Energy: 0.39864534576493177 Energy: 0.4831550274125451 Energy: 0.4014000959143069 Energy: 0.3627842707223805 Energy: 0.40140009591469183 Energy: 0.3627842707223805 Energy: 0.4014000959143069 Energy: 0.3627842707223805 Energy: 0.35561921844676914 Energy: 0.48339781234927154 Energy: 0.35561921844676914 Energy: 0.48339781234965645 Energy: 0.3556192184463842 Energy: 0.48339781234927154 Energy: 0.44303057554252434 Energy: 0.44133791446941834 Energy: 0.44303057554252434 Energy: 0.441337914470573 Energy: 0.4430305755421395 Energy: 0.44133791447018816 Energy: 0.4008923285870192 Energy: 0.38406417560589823 Energy: 0.40089232858740403 Energy: 0.38406417560589823 Energy: 0.40089232858740403 Energy: 0.38406417560589823 Energy: 0.3341224052358299 Energy: 0.40463353872483354 Energy: 0.33412240523621484 Energy: 0.4046335387259882 Energy: 0.3341224052346752 Energy: 0.4046335387256033 minimum gb energy = 0.3341224052346752 eV minimum distance = 2.55122836889893 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.15995838059726716 Energy: 0.18152988123467434 Energy: 0.08365583868628833 Energy: 0.18152988123480296 Energy: 0.15995838059726716 Energy: 0.18152988123424046 Energy: 0.3149486890211568 Energy: 0.08443622269865586 Energy: 0.31494868902088363 Energy: 0.08443622269965226 Energy: 0.3149486890211568 Energy: 0.08443622270021474 Energy: 0.3324365461834768 Energy: 0.08393161624763912 Energy: 0.3324365461834768 Energy: 0.08393161624778377 Energy: 0.3324365461834768 Energy: 0.08393161624849087 Energy: 0.0836558386861437 Energy: 0.18152988123480296 Energy: 0.08365583868628833 Energy: 0.18152988123480296 Energy: 0.08365583868628833 Energy: 0.18152988123452973 Energy: 0.31494868902144607 Energy: 0.08443622269965226 Energy: 0.3149486890211568 Energy: 0.08443622269838265 Energy: 0.3149486890217193 Energy: 0.08443622269950761 Energy: 0.3324365461833321 Energy: 0.08393161624763912 Energy: 0.33243654618318746 Energy: 0.08393161624763912 Energy: 0.3324365461833321 Energy: 0.08393161624834625 Energy: 0.15995838059726716 Energy: 0.1815298812349476 Energy: 0.08365583868628833 Energy: 0.1815298812349476 Energy: 0.15995838059726716 Energy: 0.18152988123452973 Energy: 0.31494868902088363 Energy: 0.08443622269569882 Energy: 0.3149486890205943 Energy: 0.08443622269513634 Energy: 0.31494868902088363 Energy: 0.08443622269484707 Energy: 0.3324365461833321 Energy: 0.08393161624736592 Energy: 0.33243654618318746 Energy: 0.08393161624763912 Energy: 0.3324365461833321 Energy: 0.0839316162479284 Energy: 0.08365583868628833 Energy: 0.18152988123509223 Energy: 0.08365583868628833 Energy: 0.18152988123509223 Energy: 0.08365583868628833 Energy: 0.18152988123467434 minimum gb energy = 0.0836558386861437 eV minimum distance = 2.78990435725839 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.44869935754171086 Energy: 0.390480306849357 Energy: 0.4486993575412877 Energy: 0.39048030684893376 Energy: 0.44869935754171086 Energy: 0.390480306849357 Energy: 0.3968489712110963 Energy: 0.42522570621634803 Energy: 0.3968489712110963 Energy: 0.42522570621634803 Energy: 0.39684897121067303 Energy: 0.42522570621634803 Energy: 0.41020467264821564 Energy: 0.4262873527552267 Energy: 0.42489486056552433 Energy: 0.4262873527552267 Energy: 0.4101803074845214 Energy: 0.4262873527552267 Energy: 0.42671482778917974 Energy: 0.4024997360253975 Energy: 0.42671482778960296 Energy: 0.40249973602582073 Energy: 0.42671482778917974 Energy: 0.40249973602582073 Energy: 0.38329558706956773 Energy: 0.42571053661317154 Energy: 0.38329558706999095 Energy: 0.42571053661274827 Energy: 0.38329558706999095 Energy: 0.42571053661317154 Energy: 0.409941131528181 Energy: 0.409918625038682 Energy: 0.409941131528181 Energy: 0.40991862503910514 Energy: 0.40994113152860423 Energy: 0.409918625038682 Energy: 0.41514865468004153 Energy: 0.4205714900928304 Energy: 0.41514865468004153 Energy: 0.4205714900928304 Energy: 0.41514865468004153 Energy: 0.4205714900928304 Energy: 0.3554693755835228 Energy: 0.4262665306436754 Energy: 0.35546937558309954 Energy: 0.4262665306432522 Energy: 0.3554693755835228 Energy: 0.42626653064282893 Energy: 0.41396070636449966 Energy: 0.4118407921117377 Energy: 0.41396070636449966 Energy: 0.4118407921117377 Energy: 0.41396070636449966 Energy: 0.4118407921117377 Energy: 0.41597706321643263 Energy: 0.39720313361362375 Energy: 0.4159770632160095 Energy: 0.397203133614047 Energy: 0.41597706321643263 Energy: 0.397203133614047 Energy: 0.3670840999562228 Energy: 0.4323699957524328 Energy: 0.3670840999562228 Energy: 0.4323699957520096 Energy: 0.3670840999562228 Energy: 0.4323699957524328 Energy: 0.4167686315933455 Energy: 0.42268956890013426 Energy: 0.4167686315933455 Energy: 0.4226895689005575 Energy: 0.4167686315933455 Energy: 0.4226895689005575 Energy: 0.4261675921861677 Energy: 0.35337274279937037 Energy: 0.4261675921861677 Energy: 0.35337274279937037 Energy: 0.4261675921861677 Energy: 0.35337274279937037 Energy: 0.4047840617486905 Energy: 0.4145176884000503 Energy: 0.4047840617486905 Energy: 0.4145176884000503 Energy: 0.4047840617486905 Energy: 0.4145176884004734 Energy: 0.41750709497887295 Energy: 0.41946877578468994 Energy: 0.41750709497887295 Energy: 0.41946877578468994 Energy: 0.4175070949784497 Energy: 0.41946877578468994 Energy: 0.4249398187265192 Energy: 0.3517833396595386 Energy: 0.4249398187265192 Energy: 0.35178333965996184 Energy: 0.424939818726096 Energy: 0.3517833396591154 Energy: 0.4090880547944576 Energy: 0.4218008611248943 Energy: 0.4090880547940344 Energy: 0.4218008611248943 Energy: 0.4090880547944576 Energy: 0.4218008611248943 Energy: 0.42468147018556285 Energy: 0.407454406517528 Energy: 0.42468147018513974 Energy: 0.407454406517528 Energy: 0.42468147018513974 Energy: 0.4074544065171048 Energy: 0.42452550912616016 Energy: 0.39088520432197843 Energy: 0.42452550912616016 Energy: 0.39088520432197843 Energy: 0.42452550912616016 Energy: 0.39088520432197843 Energy: 0.42331257030713154 Energy: 0.440254753670217 Energy: 0.42331257030713154 Energy: 0.440254753670217 Energy: 0.42331257030713154 Energy: 0.440254753670217 Energy: 0.4104754011048844 Energy: 0.39780571740678466 Energy: 0.4104754011048844 Energy: 0.3978057174072078 Energy: 0.41047540110530767 Energy: 0.3978057174072078 Energy: 0.42800076179462737 Energy: 0.4000952520952974 Energy: 0.42800076179462737 Energy: 0.4000952520952974 Energy: 0.42800076179462737 Energy: 0.4000952520952974 Energy: 0.3972262658961963 Energy: 0.441381200053005 Energy: 0.39722626589577303 Energy: 0.441381200053005 Energy: 0.39722626589534993 Energy: 0.44138120005342824 Energy: 0.4218659008130987 Energy: 0.3883768425282216 Energy: 0.4218659008130987 Energy: 0.3883768425282216 Energy: 0.4218659008130987 Energy: 0.3883768425282216 Energy: 0.414310093508442 Energy: 0.4212187735380634 Energy: 0.4143100935088652 Energy: 0.4212187735380634 Energy: 0.414310093508442 Energy: 0.4212187735380634 Energy: 0.3845140919707006 Energy: 0.41571799435168183 Energy: 0.3845140919707006 Energy: 0.41571799435168183 Energy: 0.3845140919707006 Energy: 0.4157179943512779 Energy: 0.4440880006306934 Energy: 0.40142512497198723 Energy: 0.4440880006306934 Energy: 0.40142512497198723 Energy: 0.4440880006306934 Energy: 0.40142512497198723 Energy: 0.4074006352546614 Energy: 0.41543948049011103 Energy: 0.4074006352542382 Energy: 0.41543948049011103 Energy: 0.4074006352546614 Energy: 0.41543948049011103 Energy: 0.3692866154279755 Energy: 0.42577103891398677 Energy: 0.36928661542839863 Energy: 0.42577103891398677 Energy: 0.36928661542839863 Energy: 0.42577103891398677 Energy: 0.4128433947578219 Energy: 0.41751799710901416 Energy: 0.41284339475824516 Energy: 0.41751799710901416 Energy: 0.4128433947578219 Energy: 0.41751799710901416 Energy: 0.41304669060885213 Energy: 0.4213032529499415 Energy: 0.41304669060927535 Energy: 0.4213032529499415 Energy: 0.41304669060927535 Energy: 0.4213032529499415 Energy: 0.39460281986559315 Energy: 0.41924592711070685 Energy: 0.39460281986517004 Energy: 0.41924592711070685 Energy: 0.39460281986559315 Energy: 0.41924592711070685 Energy: 0.4109875528228878 Energy: 0.42499696234102 Energy: 0.4109875528228878 Energy: 0.42499696234102 Energy: 0.4109875528228878 Energy: 0.42499696234102 minimum gb energy = 0.3517833396591154 eV minimum distance = 2.65242228000857 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4986557478235499 Energy: 0.46145595948195806 Energy: 0.4986557478235499 Energy: 0.46145595948195806 Energy: 0.4986557478235499 Energy: 0.4614559594825611 Energy: 0.4604980896658471 Energy: 0.486445881276631 Energy: 0.4604980896658471 Energy: 0.486445881276631 Energy: 0.4604980896658471 Energy: 0.486445881276631 Energy: 0.4826098657964274 Energy: 0.4862033322198756 Energy: 0.4826098657964274 Energy: 0.4862033322198756 Energy: 0.48260986579703047 Energy: 0.4862033322198756 Energy: 0.4892524931198063 Energy: 0.4549348736785522 Energy: 0.4892524931198063 Energy: 0.4549348736785522 Energy: 0.4892524931198063 Energy: 0.4549348736785522 Energy: 0.4479391900536458 Energy: 0.48752193227377427 Energy: 0.4479391900542488 Energy: 0.48752193227317125 Energy: 0.4479391900542488 Energy: 0.48752193227317125 Energy: 0.4939941579049163 Energy: 0.48653671417138245 Energy: 0.4939941579049163 Energy: 0.4865367141707795 Energy: 0.4939941579049163 Energy: 0.4865367141707795 Energy: 0.48092263956606496 Energy: 0.4849071895875586 Energy: 0.48092263956606496 Energy: 0.4849071895875586 Energy: 0.48092263956606496 Energy: 0.4849071895875586 Energy: 0.470827174108557 Energy: 0.4873581581096894 Energy: 0.47082717410795394 Energy: 0.48735815810908634 Energy: 0.470827174108557 Energy: 0.4873581581096894 Energy: 0.4947865054082851 Energy: 0.4910895848523221 Energy: 0.4947865054082851 Energy: 0.49108958485171905 Energy: 0.4947865054082851 Energy: 0.49108958485171905 Energy: 0.47721804785872446 Energy: 0.4217425073193415 Energy: 0.47721804785872446 Energy: 0.4217425073193415 Energy: 0.47721804785872446 Energy: 0.4217425073193415 Energy: 0.5015930725830915 Energy: 0.48225029400129193 Energy: 0.5015930725836943 Energy: 0.48225029400129193 Energy: 0.5015930725830915 Energy: 0.48225029400129193 Energy: 0.4773002372633585 Energy: 0.47660169168822747 Energy: 0.4773002372633585 Energy: 0.47660169168822747 Energy: 0.4773002372633585 Energy: 0.47660169168822747 Energy: 0.47724516439732295 Energy: 0.4805241280228859 Energy: 0.477245164397926 Energy: 0.4805241280228859 Energy: 0.47724516439732295 Energy: 0.4805241280228859 Energy: 0.485918376184822 Energy: 0.48768665947615863 Energy: 0.485918376184822 Energy: 0.4876866594767617 Energy: 0.485918376184822 Energy: 0.48768665947615863 Energy: 0.4603698599195947 Energy: 0.45831740886586797 Energy: 0.46036985991899176 Energy: 0.45831740886586797 Energy: 0.46036985991899176 Energy: 0.45831740886586797 Energy: 0.49210700788841527 Energy: 0.47622260105688513 Energy: 0.49210700788841527 Energy: 0.47622260105688513 Energy: 0.49210700788841527 Energy: 0.47622260105688513 Energy: 0.45557123672253025 Energy: 0.4951269665544309 Energy: 0.4555712367231332 Energy: 0.49512696655503385 Energy: 0.45557123672253025 Energy: 0.49512696655503385 Energy: 0.47315109176668213 Energy: 0.44882616110970747 Energy: 0.47315109176668213 Energy: 0.44882616110970747 Energy: 0.47315109176668213 Energy: 0.4488261611091045 Energy: 0.4710793806542849 Energy: 0.49366445219836763 Energy: 0.47107938065488797 Energy: 0.49366445219836763 Energy: 0.47107938065488797 Energy: 0.49366445219836763 Energy: 0.49648312810549033 Energy: 0.49813555820847666 Energy: 0.49648312810549033 Energy: 0.4981355582078737 Energy: 0.49648312810549033 Energy: 0.49813555820847666 Energy: 0.49655589094884817 Energy: 0.45066300103820034 Energy: 0.4965558909482451 Energy: 0.4506630010375973 Energy: 0.4965558909482451 Energy: 0.4506630010375973 Energy: 0.4948585609704388 Energy: 0.509563961153299 Energy: 0.4948585609704388 Energy: 0.509563961153299 Energy: 0.4948585609704388 Energy: 0.509563961153299 Energy: 0.470134723344973 Energy: 0.49696800406821173 Energy: 0.4701347233455761 Energy: 0.49696800406760866 Energy: 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0.5347673795012273 Energy: 0.4929068530207882 Energy: 0.5347673795012273 Energy: 0.5559881615394271 Energy: 0.5289563481165988 Energy: 0.5559881615398096 Energy: 0.5340529360555168 Energy: 0.5559881615394271 Energy: 0.5340529360555168 Energy: 0.488575127962623 Energy: 0.5122383287828011 Energy: 0.488575127962623 Energy: 0.5122383287858616 Energy: 0.48857512796300545 Energy: 0.5122383287835663 Energy: 0.5167883547035138 Energy: 0.5238575494983414 Energy: 0.5167883547031311 Energy: 0.5238575494983414 Energy: 0.5167883547027486 Energy: 0.5238575494979589 Energy: 0.5135639969866764 Energy: 0.5331859982462462 Energy: 0.5135639969866764 Energy: 0.5331859982462462 Energy: 0.5135639969866764 Energy: 0.5331859982462462 Energy: 0.5522162943651701 Energy: 0.5095389885028598 Energy: 0.5522162943655526 Energy: 0.533693936648958 Energy: 0.5522162943655526 Energy: 0.533693936648958 Energy: 0.5271817981352382 Energy: 0.5261793788648379 Energy: 0.5271817981352382 Energy: 0.5261793788644553 Energy: 0.5271817981352382 Energy: 0.5261793788648379 Energy: 0.49318906757235137 Energy: 0.49730375622753026 Energy: 0.49318906757235137 Energy: 0.49730375622791284 Energy: 0.49318906757235137 Energy: 0.49730375622791284 Energy: 0.525980693174939 Energy: 0.501028229428841 Energy: 0.5259806931753216 Energy: 0.501028229428841 Energy: 0.525980693174939 Energy: 0.501028229428841 Energy: 0.5096950276139823 Energy: 0.5097095218488776 Energy: 0.5096950276139823 Energy: 0.5097095218492602 Energy: 0.5096950276135999 Energy: 0.5097095218488776 Energy: 0.5092897281657586 Energy: 0.49789851792901574 Energy: 0.5092897281657586 Energy: 0.49789851792901574 Energy: 0.5092897281657586 Energy: 0.4978985179286331 Energy: 0.5281507281226692 Energy: 0.5273341902615337 Energy: 0.5281507281226692 Energy: 0.527334190261151 Energy: 0.5281507281222868 Energy: 0.527334190261151 Energy: 0.4880155212348853 Energy: 0.5281502166757924 Energy: 0.4880155212348853 Energy: 0.5281502166757924 Energy: 0.4880155212345027 Energy: 0.5281502166754098 Energy: 0.5441057797785116 Energy: 0.5426627645614024 Energy: 0.5441057797785116 Energy: 0.5426627645610197 Energy: 0.5441057797785116 Energy: 0.5426627645610197 Energy: 0.4881006855834771 Energy: 0.5447164891186692 Energy: 0.48810068558385966 Energy: 0.5447164891186692 Energy: 0.4881006855830945 Energy: 0.5447164891186692 Energy: 0.541235284572508 Energy: 0.5191002539200562 Energy: 0.541235284572508 Energy: 0.5191002539200562 Energy: 0.541235284572508 Energy: 0.5191002539204388 Energy: 0.5209429972260036 Energy: 0.5264094339376161 Energy: 0.5209429972256211 Energy: 0.5264094339379987 Energy: 0.5209429972260036 Energy: 0.5264094339379987 Energy: 0.5151772191064077 Energy: 0.4883338923613289 Energy: 0.5151772191064077 Energy: 0.4883338923609464 Energy: 0.5151772191067902 Energy: 0.4883338923613289 Energy: 0.48473223403312626 Energy: 0.5263218523710104 Energy: 0.4847322340335088 Energy: 0.5263218523706278 Energy: 0.4847322340327436 Energy: 0.5263218523706278 Energy: 0.5387256327993066 Energy: 0.4924308519255106 Energy: 0.5387256327993066 Energy: 0.4924308519255106 Energy: 0.538725632798924 Energy: 0.4924308519255106 Energy: 0.5208468948314363 Energy: 0.4990285071612007 Energy: 0.5208468948314363 Energy: 0.4990285071612007 Energy: 0.5208468948310537 Energy: 0.4990285071612007 Energy: 0.4853449100887034 Energy: 0.536596801874665 Energy: 0.48534491008908587 Energy: 0.536596801874665 Energy: 0.48534491008908587 Energy: 0.536596801874665 Energy: 0.48857673595726103 Energy: 0.4887277322143437 Energy: 0.4885767359580262 Energy: 0.48872773221472626 Energy: 0.4885767359591739 Energy: 0.48872773221396115 Energy: 0.5411325377156161 Energy: 0.5463706231118043 Energy: 0.5411325377156161 Energy: 0.5463706231118043 Energy: 0.5411325377152336 Energy: 0.5463706231118043 Energy: 0.5417919287545212 Energy: 0.5347290770444902 Energy: 0.5417919287541387 Energy: 0.5347290770444902 Energy: 0.5417919287545212 Energy: 0.5347290770444902 Energy: 0.48861483854337423 Energy: 0.5116551355073472 Energy: 0.48861483854337423 Energy: 0.5116551355073472 Energy: 0.4886148385426091 Energy: 0.5116551355073472 Energy: 0.555998626549885 Energy: 0.5433884649241855 Energy: 0.555998626549885 Energy: 0.5433884649241855 Energy: 0.555998626549885 Energy: 0.5433884649241855 Energy: 0.49430270014770206 Energy: 0.5191099609501869 Energy: 0.4943027001484671 Energy: 0.5191099609498044 Energy: 0.49430270014808464 Energy: 0.5191099609498044 Energy: 0.5248955854019968 Energy: 0.5303300975987398 Energy: 0.5248955854019968 Energy: 0.5303300975987398 Energy: 0.5248955854019968 Energy: 0.5303300975987398 Energy: 0.5064384744862269 Energy: 0.5186093178068506 Energy: 0.5064384744858442 Energy: 0.518609317806468 Energy: 0.5064384744862269 Energy: 0.518609317806468 Energy: 0.492398592075491 Energy: 0.5185065281280212 Energy: 0.492398592075491 Energy: 0.5185065281280212 Energy: 0.4923985920758735 Energy: 0.5185065281280212 Energy: 0.5419304705540847 Energy: 0.5022926369720304 Energy: 0.5419304705548499 Energy: 0.5022926369724131 Energy: 0.5419304705540847 Energy: 0.5022926369720304 Energy: 0.4923589998326334 Energy: 0.4975137147706683 Energy: 0.4923589998326334 Energy: 0.49751371477105083 Energy: 0.49235899983301595 Energy: 0.4975137147706683 minimum gb energy = 0.482187126966648 eV minimum distance = 2.63954806275502 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5798885113207931 Energy: 0.5394960911306568 Energy: 0.5798885113207931 Energy: 0.5394960911306568 Energy: 0.5798885113207931 Energy: 0.5394960911306568 Energy: 0.5424994081110153 Energy: 0.5663568796918867 Energy: 0.5424994081120598 Energy: 0.5663568796918867 Energy: 0.5424994081120598 Energy: 0.5663568796918867 Energy: 0.6130775264854142 Energy: 0.5663240430769588 Energy: 0.6162085956357444 Energy: 0.5663240430769588 Energy: 0.5979901849557117 Energy: 0.5663240430769588 Energy: 0.5867371112757549 Energy: 0.6036688415322877 Energy: 0.5867371112757549 Energy: 0.6036688415322877 Energy: 0.5867371112757549 Energy: 0.6036688415322877 Energy: 0.5947051679884356 Energy: 0.5720629659922932 Energy: 0.5947051679884356 Energy: 0.5720629659922932 Energy: 0.5947051679884356 Energy: 0.5720629659922932 Energy: 0.5957232868150759 Energy: 0.5803495102602954 Energy: 0.5957232868150759 Energy: 0.5803495102613397 Energy: 0.5957232868150759 Energy: 0.5803495102602954 Energy: 0.5795234665876349 Energy: 0.5410293982747139 Energy: 0.5795234665876349 Energy: 0.5410293982757584 Energy: 0.5795234665876349 Energy: 0.5410293982757584 Energy: 0.5624396968416753 Energy: 0.5649595682476932 Energy: 0.5624396968416753 Energy: 0.5649595682476932 Energy: 0.5624396968416753 Energy: 0.5649595682487139 Energy: 0.5437542494365702 Energy: 0.5372543371178725 Energy: 0.5437542494365702 Energy: 0.5372543371178725 Energy: 0.5437542494365702 Energy: 0.5372543371178725 Energy: 0.5808451025413773 Energy: 0.5510050353931132 Energy: 0.5808451025413773 Energy: 0.5510050353920688 Energy: 0.5808451025413773 Energy: 0.5510050353920688 Energy: 0.5442478340642842 Energy: 0.5663835513138635 Energy: 0.5442478340642842 Energy: 0.5663835513138635 Energy: 0.5442478340642842 Energy: 0.5663835513138635 Energy: 0.5672379627591172 Energy: 0.5661141611683845 Energy: 0.5672379627591172 Energy: 0.5661141611683845 Energy: 0.5672379627591172 Energy: 0.56611416116734 Energy: 0.5910341879316227 Energy: 0.5613260639740717 Energy: 0.5910341879316227 Energy: 0.5613260639740717 Energy: 0.5910341879316227 Energy: 0.5613260639740717 Energy: 0.5974713142880081 Energy: 0.5704372672423005 Energy: 0.5974713142880081 Energy: 0.5704372672423005 Energy: 0.5974713142880081 Energy: 0.5704372672423005 minimum gb energy = 0.5372543371178725 eV minimum distance = 2.54974437165191 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5967480762081917 Energy: 0.5616286613003906 Energy: 0.596748076207274 Energy: 0.5616286613017671 Energy: 0.5967480762081917 Energy: 0.5616286613017671 Energy: 0.5539725976424823 Energy: 0.5832431685018376 Energy: 0.5539725976424823 Energy: 0.5832431685018376 Energy: 0.5539725976420234 Energy: 0.5832431685022963 Energy: 0.6163989256913966 Energy: 0.5761574015170015 Energy: 0.6163989256918554 Energy: 0.5761574015174602 Energy: 0.6163989256918554 Energy: 0.5761574015165426 Energy: 0.5853796403372288 Energy: 0.5518342683541293 Energy: 0.5853796403381465 Energy: 0.5518342683545882 Energy: 0.5853796403381465 Energy: 0.5518342683541293 Energy: 0.6059958270887601 Energy: 0.5820188031277738 Energy: 0.6059958270887601 Energy: 0.5820188031277738 Energy: 0.6059958270883012 Energy: 0.5820188031277738 Energy: 0.5917565738468185 Energy: 0.6020456741545562 Energy: 0.5917565738468185 Energy: 0.6020456741545562 Energy: 0.5917565738468185 Energy: 0.6020456741545562 Energy: 0.5827021645112089 Energy: 0.5700346956090759 Energy: 0.5827021645112089 Energy: 0.5700346956090759 Energy: 0.5827021645107502 Energy: 0.5700346956090759 Energy: 0.5660046474311176 Energy: 0.5837214493311105 Energy: 0.5660046474315764 Energy: 0.5837214493306516 Energy: 0.5660046474315764 Energy: 0.5837214493311105 Energy: 0.5723292899338766 Energy: 0.5967908543158464 Energy: 0.5723292899343354 Energy: 0.5967908543163053 Energy: 0.5723292899338766 Energy: 0.5967908543158464 Energy: 0.5793835823266998 Energy: 0.5692289359320348 Energy: 0.5793835823266998 Energy: 0.5692289359320348 Energy: 0.5793835823266998 Energy: 0.5692289359320348 Energy: 0.5696622844286361 Energy: 0.5852522088141906 Energy: 0.5696622844286361 Energy: 0.5852522088137316 Energy: 0.5696622844286361 Energy: 0.5852522088137316 Energy: 0.5963525084842339 Energy: 0.6030554278907061 Energy: 0.5963525084842339 Energy: 0.603055427891165 Energy: 0.5963525084837752 Energy: 0.6030554278907061 Energy: 0.5756275318720401 Energy: 0.567679938823958 Energy: 0.5756275318720401 Energy: 0.5676799388234991 Energy: 0.5756275318715813 Energy: 0.567679938823958 Energy: 0.6020107014773711 Energy: 0.5806100695893378 Energy: 0.6020107014773711 Energy: 0.5806100695893378 Energy: 0.6020107014773711 Energy: 0.5806100695897967 Energy: 0.5664504853707629 Energy: 0.5744660024897178 Energy: 0.5652107846553422 Energy: 0.5744660024892592 Energy: 0.5652107846548834 Energy: 0.5744660024892592 Energy: 0.5813630941961387 Energy: 0.6123770886569434 Energy: 0.5813630941956799 Energy: 0.6123770886569434 Energy: 0.5813630941956799 Energy: 0.6123770886564848 Energy: 0.5565464686400287 Energy: 0.5829934785712099 Energy: 0.5565464686400287 Energy: 0.5829934785716686 Energy: 0.5565464686395697 Energy: 0.5829934785712099 Energy: 0.5832077515879689 Energy: 0.5863518862471937 Energy: 0.58320775158751 Energy: 0.5863518862481114 Energy: 0.58320775158751 Energy: 0.5863518862476526 Energy: 0.5839161273038576 Energy: 0.5525271767504932 Energy: 0.5839161273038576 Energy: 0.5525271767504932 Energy: 0.5839161273038576 Energy: 0.5525271767500344 Energy: 0.6013292838943665 Energy: 0.5794365605269587 Energy: 0.6013292838943665 Energy: 0.5794365605269587 Energy: 0.6013292838939076 Energy: 0.5794365605269587 Energy: 0.5609804511781428 Energy: 0.5654386012762173 Energy: 0.5609804511776839 Energy: 0.5654386012762173 Energy: 0.5609804511781428 Energy: 0.5654386012748407 Energy: 0.5956949292947946 Energy: 0.5895479025957466 Energy: 0.5956949292957123 Energy: 0.5895479025952878 Energy: 0.5956949292947946 Energy: 0.5895479025952878 Energy: 0.5751115223085621 Energy: 0.5722905720205543 Energy: 0.5751115223076445 Energy: 0.5722905720196367 Energy: 0.5751115223076445 Energy: 0.5722905720200955 Energy: 0.5839268688366865 Energy: 0.5831128277377942 Energy: 0.5839268688371455 Energy: 0.5831128277377942 Energy: 0.5839268688371455 Energy: 0.5831128277377942 Energy: 0.5859242249941449 Energy: 0.5797886676864424 Energy: 0.5859242249950627 Energy: 0.5797886676864424 Energy: 0.5859242249946038 Energy: 0.5797886676864424 Energy: 0.5545214590194282 Energy: 0.5785074404990228 Energy: 0.5545214590194282 Energy: 0.5785074404994817 Energy: 0.5545214590194282 Energy: 0.5785074404999406 Energy: 0.5899028619702036 Energy: 0.5933164316272206 Energy: 0.5899028619702036 Energy: 0.5933164316272206 Energy: 0.5899028619702036 Energy: 0.5933164316276794 Energy: 0.5798640818444571 Energy: 0.556877836508929 Energy: 0.5798640818449159 Energy: 0.556877836508929 Energy: 0.5798640818444571 Energy: 0.556877836508929 Energy: 0.5761765749544444 Energy: 0.5878213506493053 Energy: 0.5761765749544444 Energy: 0.5878213506493053 Energy: 0.5761765749544444 Energy: 0.587821350649764 Energy: 0.5657237104638131 Energy: 0.553049497258011 Energy: 0.5657237104647309 Energy: 0.553049497258011 Energy: 0.565723710464272 Energy: 0.553049497258011 Energy: 0.5794284425646724 Energy: 0.604132478403411 Energy: 0.5794284425646724 Energy: 0.6041324784038699 Energy: 0.5794284425646724 Energy: 0.604132478403411 minimum gb energy = 0.5518342683541293 eV minimum distance = 2.51198026504143 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5185947711965975 Energy: 0.5075450162607757 Energy: 0.518594771197414 Energy: 0.5075450162607757 Energy: 0.518594771197414 Energy: 0.5075450162607757 Energy: 0.5881017175406746 Energy: 0.5329196798150677 Energy: 0.5881017175406746 Energy: 0.5329196798167007 Energy: 0.5881017175414912 Energy: 0.5329196798158843 Energy: 0.546322428649263 Energy: 0.5331346022429346 Energy: 0.5463224286484465 Energy: 0.5331346022429346 Energy: 0.5463224286484465 Energy: 0.5331346022429346 Energy: 0.5129986146872404 Energy: 0.5925573074653501 Energy: 0.5129986146872404 Energy: 0.6256479068654079 Energy: 0.5129986146880569 Energy: 0.5434337663258663 Energy: 0.5461650703236521 Energy: 0.5331399115526537 Energy: 0.5461650703236521 Energy: 0.5331399115518372 Energy: 0.5461650703236521 Energy: 0.5331399115518372 Energy: 0.5880858068264917 Energy: 0.5636671780289979 Energy: 0.5880858068264917 Energy: 0.5170732143119331 Energy: 0.5880858068264917 Energy: 0.5170732143119331 Energy: 0.5185947711982305 Energy: 0.5075450162607757 Energy: 0.518594771197414 Energy: 0.5075450162607757 Energy: 0.5185947711982305 Energy: 0.5075450162607757 Energy: 0.5881017175398582 Energy: 0.5329196798158843 Energy: 0.5881017175398582 Energy: 0.5329196798167007 Energy: 0.5881017175398582 Energy: 0.5329196798167007 Energy: 0.5463224286484465 Energy: 0.5331346022429346 Energy: 0.5463224286476299 Energy: 0.5331346022421182 Energy: 0.5463224286484465 Energy: 0.5331346022429346 Energy: 0.5129986146872404 Energy: 0.5767118103750722 Energy: 0.5129986146872404 Energy: 0.5106226675665728 Energy: 0.5129986146872404 Energy: 0.5106226675657748 Energy: 0.5461650703228357 Energy: 0.5331399115526537 Energy: 0.5461650703228357 Energy: 0.5331399115526537 Energy: 0.5461650703236521 Energy: 0.5331399115526537 Energy: 0.5880858068256752 Energy: 0.5170732143135661 Energy: 0.5880858068256752 Energy: 0.5170732143135661 Energy: 0.5880858068256752 Energy: 0.5170732143135661 Energy: 0.5185947711965975 Energy: 0.5075450162607757 Energy: 0.518594771197414 Energy: 0.5075450162607757 Energy: 0.5185947711965975 Energy: 0.5075450162607757 Energy: 0.5881017175406746 Energy: 0.5329196798167007 Energy: 0.5881017175406746 Energy: 0.5329196798150677 Energy: 0.5881017175406746 Energy: 0.5329196798158843 Energy: 0.546322428649263 Energy: 0.5331346022429346 Energy: 0.5463224286484465 Energy: 0.5331346022429346 Energy: 0.546322428649263 Energy: 0.5331346022429346 Energy: 0.5129986146872404 Energy: 0.5106226675665728 Energy: 0.5129986146872404 Energy: 0.5106226675665728 Energy: 0.5129986146872404 Energy: 0.5106226675665728 Energy: 0.5461650703236521 Energy: 0.5331399115518372 Energy: 0.5461650703236521 Energy: 0.5331399115518372 Energy: 0.5461650703228357 Energy: 0.5331399115518372 minimum gb energy = 0.5075450162607757 eV minimum distance = 2.58745757114645 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5832009838056672 Energy: 0.548852538280816 Energy: 0.583200983806334 Energy: 0.548852538280816 Energy: 0.583200983806334 Energy: 0.548852538280816 Energy: 0.5696887543553764 Energy: 0.5712865138973878 Energy: 0.5696887543560429 Energy: 0.5712865138973878 Energy: 0.5696887543560429 Energy: 0.5712865138973878 Energy: 0.5734759102834227 Energy: 0.5642802742627876 Energy: 0.6005771231832897 Energy: 0.5642802742621209 Energy: 0.5869462977039903 Energy: 0.5642802742621209 Energy: 0.5631190150981661 Energy: 0.5972141477848145 Energy: 0.5631190150981661 Energy: 0.5972141477848145 Energy: 0.5631190150988327 Energy: 0.5972141477848145 Energy: 0.5616831619341351 Energy: 0.570364206002707 Energy: 0.5616831619334683 Energy: 0.5703642060020402 Energy: 0.5616831619348017 Energy: 0.570364206002707 Energy: 0.5651031260366469 Energy: 0.5716803728851841 Energy: 0.5651031260366469 Energy: 0.5716803728838509 Energy: 0.5651031260366469 Energy: 0.5716803728851841 Energy: 0.5626169343372623 Energy: 0.5852086225354626 Energy: 0.5626169343365955 Energy: 0.5852086225354626 Energy: 0.5626169343372623 Energy: 0.5852086225327959 Energy: 0.5610060244673398 Energy: 0.5818900886562367 Energy: 0.5610060244673398 Energy: 0.5818900886562367 Energy: 0.5610060244666731 Energy: 0.5818900886562367 Energy: 0.6295223816591896 Energy: 0.5814075826991623 Energy: 0.6295223816591896 Energy: 0.5814075826991623 Energy: 0.6295223816591896 Energy: 0.581407582699829 Energy: 0.5634007048030577 Energy: 0.5723955401324698 Energy: 0.5634007048017244 Energy: 0.5723955401324698 Energy: 0.5634007048017244 Energy: 0.5723955401324698 Energy: 0.551928224742889 Energy: 0.5718656787772918 Energy: 0.5519282247435557 Energy: 0.5718656787779585 Energy: 0.5519282247422223 Energy: 0.5718656787779585 Energy: 0.5928038902729375 Energy: 0.5778166868612654 Energy: 0.5928038902722709 Energy: 0.5778166868612654 Energy: 0.5928038902729375 Energy: 0.5778166868612654 Energy: 0.5704034642901697 Energy: 0.5993073919508553 Energy: 0.5704034642901697 Energy: 0.5993073919508553 Energy: 0.5704034642895032 Energy: 0.5993073919515219 Energy: 0.5636352210879861 Energy: 0.568740441064038 Energy: 0.5636352210879861 Energy: 0.5687404410607045 Energy: 0.5636352210879861 Energy: 0.568740441064038 Energy: 0.5919943747228545 Energy: 0.5695481683663699 Energy: 0.5919943747228545 Energy: 0.5695481683637031 Energy: 0.5919943747221879 Energy: 0.5695481683657032 Energy: 0.5858518193880424 Energy: 0.5659653726838866 Energy: 0.5858518193873757 Energy: 0.5659653726838866 Energy: 0.5858518193887092 Energy: 0.5659653726832199 Energy: 0.5781474333769887 Energy: 0.5667989239098037 Energy: 0.5781474333763219 Energy: 0.5667989239091371 Energy: 0.5781474333756553 Energy: 0.5667989239098037 Energy: 0.6138388901332539 Energy: 0.5755551397108022 Energy: 0.6138388901332539 Energy: 0.5755551397121357 Energy: 0.6138388901332539 Energy: 0.5755551397114689 Energy: 0.558054027430933 Energy: 0.5717516220331251 Energy: 0.558054027430933 Energy: 0.5717516220331251 Energy: 0.5580540274315996 Energy: 0.5717516220331251 Energy: 0.5632096436199893 Energy: 0.5497623378438954 Energy: 0.5632096436193226 Energy: 0.5497623378432288 Energy: 0.5632096436206558 Energy: 0.5497623378432288 Energy: 0.5910095794466727 Energy: 0.5762941267540941 Energy: 0.5910095794473393 Energy: 0.5762941267534273 Energy: 0.5910095794473393 Energy: 0.5762941267534273 minimum gb energy = 0.548852538280816 eV minimum distance = 2.58469538523832 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6125553535464094 Energy: 0.6411476348784326 Energy: 0.6020016444756197 Energy: 0.6411476348784326 Energy: 0.6125553535464094 Energy: 0.6411476348778706 Energy: 0.6025715714457186 Energy: 0.5815415015097154 Energy: 0.6025715714462806 Energy: 0.5815415015097154 Energy: 0.6025715714457186 Energy: 0.5815415015091534 Energy: 0.5661421348315377 Energy: 0.5636231691886071 Energy: 0.5661421348304139 Energy: 0.5636231691886071 Energy: 0.5661421348315377 Energy: 0.5636231691886071 Energy: 0.5660277690352463 Energy: 0.6146129245645159 Energy: 0.5660277690358083 Energy: 0.6146129245650779 Energy: 0.5660277690352463 Energy: 0.6146129245650779 Energy: 0.5601067924991168 Energy: 0.5831608578267922 Energy: 0.5601067924991168 Energy: 0.5831608578267922 Energy: 0.5601067924985548 Energy: 0.5831608578262302 Energy: 0.5903362523616902 Energy: 0.6020720553223834 Energy: 0.5903362523622521 Energy: 0.6020720553223834 Energy: 0.5903362523616902 Energy: 0.6020720553229454 Energy: 0.5726877208430511 Energy: 0.5924593796817514 Energy: 0.5726877208424892 Energy: 0.5924593796817514 Energy: 0.5726877208430511 Energy: 0.592459379680653 Energy: 0.6016894615402145 Energy: 0.5642493951442774 Energy: 0.6016894615407765 Energy: 0.5642493951442774 Energy: 0.6016894615402145 Energy: 0.5642493951437154 Energy: 0.6104403375932105 Energy: 0.5683420278690342 Energy: 0.6105890722922886 Energy: 0.5683420278695962 Energy: 0.6104403375937725 Energy: 0.5683420278701582 Energy: 0.5983184783408144 Energy: 0.5820986758811124 Energy: 0.5983809374157366 Energy: 0.5820986758816743 Energy: 0.5983184783408144 Energy: 0.5820986758811124 Energy: 0.5987971813726852 Energy: 0.5858332938897999 Energy: 0.5987772712567894 Energy: 0.5858332938897999 Energy: 0.5987971813726852 Energy: 0.5858332938903619 Energy: 0.5906175413784576 Energy: 0.582253529876925 Energy: 0.5906175413790196 Energy: 0.582253529876925 Energy: 0.5906175413784576 Energy: 0.582253529877487 Energy: 0.5817018155671593 Energy: 0.610220116784379 Energy: 0.5817018155671593 Energy: 0.610220116784379 Energy: 0.5817018155671593 Energy: 0.6102201167860649 Energy: 0.565875051335516 Energy: 0.5752678821809012 Energy: 0.5658750513349541 Energy: 0.5752678821814375 Energy: 0.565875051335516 Energy: 0.5752678821803393 Energy: 0.5987718560638736 Energy: 0.6033616603039993 Energy: 0.5983842598226454 Energy: 0.6033616603039993 Energy: 0.5987718560644356 Energy: 0.6033616603039993 Energy: 0.5831557323068219 Energy: 0.5830161340274261 Energy: 0.5831557323068219 Energy: 0.5830161340274261 Energy: 0.5831557323068219 Energy: 0.583016134027988 Energy: 0.5841034424186734 Energy: 0.5639813268621087 Energy: 0.5841034424192353 Energy: 0.5639813268626707 Energy: 0.5841034424186734 Energy: 0.5639813268637945 Energy: 0.6160825932163236 Energy: 0.5641164830376432 Energy: 0.6160825932157616 Energy: 0.5641164830376432 Energy: 0.6160825932163236 Energy: 0.564116483038767 Energy: 0.5748564611579056 Energy: 0.5608993342132166 Energy: 0.5538849331361063 Energy: 0.5608993342126547 Energy: 0.5748564611567816 Energy: 0.5608993342120928 Energy: 0.6125553535458476 Energy: 0.6411476348789946 Energy: 0.6020016444744958 Energy: 0.6411476348784326 Energy: 0.6125553535458476 Energy: 0.6411476348778706 Energy: 0.6025715714457186 Energy: 0.5815415015102773 Energy: 0.6025715714468426 Energy: 0.5815415015102773 Energy: 0.6025715714457186 Energy: 0.5815415015097154 Energy: 0.5661421348315377 Energy: 0.563623169189731 Energy: 0.5661421348304139 Energy: 0.563623169189731 Energy: 0.5661421348315377 Energy: 0.5636231691908549 Energy: 0.5660277690352463 Energy: 0.6146129245650779 Energy: 0.5660277690352463 Energy: 0.6146129245650779 Energy: 0.5660277690352463 Energy: 0.6146129245650779 Energy: 0.5601067924991168 Energy: 0.5831608578262302 Energy: 0.5601067924991168 Energy: 0.5831608578267922 Energy: 0.5601067924991168 Energy: 0.5831608578262302 Energy: 0.5903362523616902 Energy: 0.6020720553218215 Energy: 0.5903362523616902 Energy: 0.6020720553212594 Energy: 0.5903362523616902 Energy: 0.6020720553235074 minimum gb energy = 0.5538849331361063 eV minimum distance = 2.53682636413341 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5656120675945494 Energy: 0.5840662655730788 Energy: 0.5656120675945494 Energy: 0.5840662655730788 Energy: 0.5656120675945494 Energy: 0.5840662655730788 Energy: 0.58181434760149 Energy: 0.565306721973675 Energy: 0.581814347601975 Energy: 0.5653067219741601 Energy: 0.58181434760149 Energy: 0.565306721973675 Energy: 0.5720068476918707 Energy: 0.5413451317668494 Energy: 0.5992333447762367 Energy: 0.5413451317658793 Energy: 0.5762961765700536 Energy: 0.5413451317673346 Energy: 0.5417807167302895 Energy: 0.5849215484069872 Energy: 0.5417807167298044 Energy: 0.5849215484069872 Energy: 0.5417807167298044 Energy: 0.5849215484069872 Energy: 0.5763167543904355 Energy: 0.586506488646367 Energy: 0.5763167543904355 Energy: 0.586506488646852 Energy: 0.5763167543904355 Energy: 0.586506488646852 Energy: 0.5921192589437625 Energy: 0.5481632183213259 Energy: 0.5921192589437625 Energy: 0.5481632183213259 Energy: 0.5921192589437625 Energy: 0.5481632183213259 Energy: 0.5316371749277559 Energy: 0.5785306244865658 Energy: 0.53163717338783 Energy: 0.578530624487051 Energy: 0.5316371728287771 Energy: 0.578530624487536 Energy: 0.5530386817483769 Energy: 0.5788126443038079 Energy: 0.5530386817275186 Energy: 0.5788126443033228 Energy: 0.5530386817260633 Energy: 0.5788126443038079 Energy: 0.6043803082967749 Energy: 0.5346309922548583 Energy: 0.60438030829726 Energy: 0.5346309922543732 Energy: 0.60438030829726 Energy: 0.5346309922543732 Energy: 0.573459310784399 Energy: 0.5767530883194079 Energy: 0.573459310784399 Energy: 0.5767530883198929 Energy: 0.5734593107839139 Energy: 0.5767530883198929 Energy: 0.5405857867369436 Energy: 0.5811485984141007 Energy: 0.5405857867374286 Energy: 0.5811485984145858 Energy: 0.5405857867374286 Energy: 0.5811485984141007 Energy: 0.5908592914824199 Energy: 0.542840751295562 Energy: 0.590859291482905 Energy: 0.542840751295077 Energy: 0.590859291482905 Energy: 0.542840751295077 Energy: 0.57822059030914 Energy: 0.5640438346591139 Energy: 0.57822059030914 Energy: 0.564043834659599 Energy: 0.5782205903096249 Energy: 0.5640438346610542 Energy: 0.5468575747897041 Energy: 0.585584200259251 Energy: 0.5468575747897041 Energy: 0.5855842002597359 Energy: 0.5468575747906743 Energy: 0.585584200259251 Energy: 0.5844341257090142 Energy: 0.5450400762067366 Energy: 0.5844341257099844 Energy: 0.5450399662586917 Energy: 0.5844341257094993 Energy: 0.5450403599185839 Energy: 0.5736004203091245 Energy: 0.5346586728585511 Energy: 0.5736004203086394 Energy: 0.5346586728604914 Energy: 0.5736004203086394 Energy: 0.5346586728648571 Energy: 0.5465090851684263 Energy: 0.5850305546400122 Energy: 0.5465090851684263 Energy: 0.5850305546400122 Energy: 0.5465090851689114 Energy: 0.5850305546404972 Energy: 0.5784329068110918 Energy: 0.5769902975490573 Energy: 0.5784329068110918 Energy: 0.5769902972969266 Energy: 0.5784329068110918 Energy: 0.5769902972964417 Energy: 0.5877038957304397 Energy: 0.5473850121086039 Energy: 0.5877038957304397 Energy: 0.5473850121081187 Energy: 0.5877038957304397 Energy: 0.5473850121071486 Energy: 0.5546089100736507 Energy: 0.5837266721101323 Energy: 0.5546089100736507 Energy: 0.5837266721101323 Energy: 0.5546089100741358 Energy: 0.5837266721096472 Energy: 0.542196465396894 Energy: 0.596559669511886 Energy: 0.5421905486582069 Energy: 0.596559669511886 Energy: 0.5421899462424493 Energy: 0.596559669511886 Energy: 0.6048915713754633 Energy: 0.5413639440498731 Energy: 0.6048915713754633 Energy: 0.541363944049388 Energy: 0.6048915713754633 Energy: 0.541363944049388 Energy: 0.5911887043656491 Energy: 0.5730563851893321 Energy: 0.5911887043656491 Energy: 0.5730563851893321 Energy: 0.5911887043656491 Energy: 0.5730563851898173 Energy: 0.5618837249985634 Energy: 0.5805597542017055 Energy: 0.5618837249985634 Energy: 0.5805597542017055 Energy: 0.5618837249985634 Energy: 0.5805597542017055 Energy: 0.5769929890321293 Energy: 0.541350369444533 Energy: 0.5769929890321293 Energy: 0.541350369443563 Energy: 0.5769929890321293 Energy: 0.5413503694808919 Energy: 0.5795452949662285 Energy: 0.548807125231918 Energy: 0.5795452949667137 Energy: 0.548807125256635 Energy: 0.5795452949667137 Energy: 0.5488071252338584 Energy: 0.534586038848406 Energy: 0.5844488993197243 Energy: 0.5345860388469508 Energy: 0.5844488993197243 Energy: 0.5345860388464657 Energy: 0.5844488993197243 Energy: 0.5808816318106469 Energy: 0.5579238089964217 Energy: 0.5808816318101618 Energy: 0.557923808998847 Energy: 0.5808816318101618 Energy: 0.5579238089930261 Energy: 0.5778946465259187 Energy: 0.5476568926290861 Energy: 0.5778946465259187 Energy: 0.5476568926276308 Energy: 0.5778946465259187 Energy: 0.5476568926290861 minimum gb energy = 0.5316371728287771 eV minimum distance = 2.58160731073956 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.5277063781447442 Energy: 0.5844396334488398 Energy: 0.5277063781447442 Energy: 0.5844396334492663 Energy: 0.5277063781447442 Energy: 0.5844396334488398 Energy: 0.5600874440412178 Energy: 0.5321417997568085 Energy: 0.5600874317516412 Energy: 0.532141799757235 Energy: 0.5600874247744466 Energy: 0.5321417997568085 Energy: 0.5828312917041251 Energy: 0.5149803819969866 Energy: 0.5828312917041251 Energy: 0.5149803819974129 Energy: 0.5828312917041251 Energy: 0.5149803819965603 Energy: 0.500053756848043 Energy: 0.5632531088501013 Energy: 0.5000537568484694 Energy: 0.5918934685348564 Energy: 0.5000537568488959 Energy: 0.5834183504019356 Energy: 0.5385279126893924 Energy: 0.5483096855888107 Energy: 0.5385279126906715 Energy: 0.5483096855892371 Energy: 0.5385279126893924 Energy: 0.5483096855888107 Energy: 0.5855822303937589 Energy: 0.509636679667013 Energy: 0.5855822303937589 Energy: 0.509636679667013 Energy: 0.5855822303937589 Energy: 0.509636679667013 Energy: 0.5337294324552824 Energy: 0.5538046480853741 Energy: 0.5337294324569879 Energy: 0.553804648092623 Energy: 0.5337294324569879 Energy: 0.5538046480879326 Energy: 0.5002153598920527 Energy: 0.5638920336510401 Energy: 0.5002153598916262 Energy: 0.5554974307628474 Energy: 0.500215359892479 Energy: 0.5679384583115353 Energy: 0.5840308471514581 Energy: 0.5103900710953742 Energy: 0.5840308471514581 Energy: 0.5103900710962271 Energy: 0.5840308471514581 Energy: 0.5103900710953742 Energy: 0.5336627280642153 Energy: 0.5582352224912999 Energy: 0.5336627280650681 Energy: 0.5826261032700726 Energy: 0.5336627280633625 Energy: 0.5629228161925967 Energy: 0.4989193414084234 Energy: 0.6210777908413162 Energy: 0.49891934140799693 Energy: 0.6210777908413162 Energy: 0.4989193414088498 Energy: 0.6210777908413162 Energy: 0.5694597809199182 Energy: 0.5238695884871409 Energy: 0.5694597809203447 Energy: 0.5238695884867144 Energy: 0.5694597809203447 Energy: 0.5238695884867144 Energy: 0.5715292590556693 Energy: 0.5151637853773035 Energy: 0.5715292590556693 Energy: 0.5151637852238742 Energy: 0.5715292590556693 Energy: 0.5151637852149196 Energy: 0.5305542842917159 Energy: 0.5724353919407585 Energy: 0.5305542842912895 Energy: 0.5724353919407585 Energy: 0.5305542842917159 Energy: 0.5724353919407585 Energy: 0.5612317841687144 Energy: 0.5481407239990685 Energy: 0.5612317841704201 Energy: 0.548140723998642 Energy: 0.5612317841704201 Energy: 0.548140723998642 Energy: 0.5844569581623533 Energy: 0.5163002733473471 Energy: 0.5844569581623533 Energy: 0.5163002733477735 Energy: 0.5844569581623533 Energy: 0.5163002733477735 Energy: 0.49945246614723526 Energy: 0.5615555146289309 Energy: 0.4994524661468088 Energy: 0.5615555146289309 Energy: 0.4994524661484951 Energy: 0.5615555146289309 Energy: 0.49702791932033624 Energy: 0.5798748678774235 Energy: 0.49702791932033624 Energy: 0.5798748678774235 Energy: 0.4970279193207626 Energy: 0.5798748678774235 Energy: 0.5841558317061204 Energy: 0.5105196585181306 Energy: 0.5841558317056941 Energy: 0.5105196585177043 Energy: 0.5841558317061204 Energy: 0.5105196585181306 Energy: 0.5336381756939629 Energy: 0.5580161614441734 Energy: 0.5336381756939629 Energy: 0.5580161614437471 Energy: 0.5336381756935366 Energy: 0.5580161614445999 Energy: 0.5059007669576583 Energy: 0.6100130959817263 Energy: 0.5059007669580848 Energy: 0.6100130959808734 Energy: 0.5059007669580848 Energy: 0.6100130959817263 Energy: 0.5750534042421201 Energy: 0.50981024503994 Energy: 0.5750534042421201 Energy: 0.50981024503994 Energy: 0.5750534042421201 Energy: 0.5098102450395136 Energy: 0.5745998591031736 Energy: 0.507208627043071 Energy: 0.5745998591031736 Energy: 0.5072086296988356 Energy: 0.5745998591040263 Energy: 0.5072086264195271 Energy: 0.5000329772636409 Energy: 0.587238902955727 Energy: 0.5000329772640674 Energy: 0.587238902955727 Energy: 0.5000329772640674 Energy: 0.5872389029561533 Energy: 0.5689060063972923 Energy: 0.5460621229543239 Energy: 0.5689060063972923 Energy: 0.5460621229547504 Energy: 0.5689060063977186 Energy: 0.5460621229547504 Energy: 0.5749162657606863 Energy: 0.5162235041332797 Energy: 0.57491626576026 Energy: 0.5162235041328532 Energy: 0.5749162657606863 Energy: 0.5162235041332797 Energy: 0.5278629234658416 Energy: 0.5641703735227779 Energy: 0.5278629234773352 Energy: 0.5641703735227779 Energy: 0.5278629234620039 Energy: 0.5641703735227779 Energy: 0.5282996316299836 Energy: 0.5680242360087036 Energy: 0.5282990685565881 Energy: 0.5680242360087036 Energy: 0.5282805468360299 Energy: 0.5680242360087036 Energy: 0.587237914598972 Energy: 0.514776661391921 Energy: 0.5872379146002511 Energy: 0.5147766613923473 Energy: 0.5872379146002511 Energy: 0.5147766613923473 Energy: 0.4977204149180954 Energy: 0.5679400570672918 Energy: 0.49772041405328216 Energy: 0.5679400570677182 Energy: 0.4977204144445502 Energy: 0.5679400570677182 Energy: 0.4994938045732316 Energy: 0.569958424804951 Energy: 0.49949380457280523 Energy: 0.5699584248053775 Energy: 0.4994938045736581 Energy: 0.569958424804951 Energy: 0.5748192087304016 Energy: 0.5098358210049971 Energy: 0.5748192087304016 Energy: 0.5098358210049971 Energy: 0.5748192087304016 Energy: 0.5098358210054236 Energy: 0.5715155982071544 Energy: 0.5072691599780574 Energy: 0.5715155982075807 Energy: 0.5072691599776311 Energy: 0.5715155982075807 Energy: 0.5072691599742197 minimum gb energy = 0.49702791932033624 eV minimum distance = 2.59885431769595 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733831250999114 Energy: 0.39261476947951923 Energy: 0.011733831250999114 Energy: 0.3926147694798736 Energy: 0.011733831250999114 Energy: 0.3926147694798736 Energy: 0.013135557982619889 Energy: 0.17518774667644185 Energy: 0.013135557982619889 Energy: 0.17518774667644185 Energy: 0.013135557982619889 Energy: 0.17518774667644185 Energy: 0.3929467822565741 Energy: 0.17557433082881568 Energy: 0.39294679638508395 Energy: 0.1755722872299612 Energy: 0.3929468030111629 Energy: 0.17557106184225324 Energy: 0.013135557982619889 Energy: 0.17518774667608758 Energy: 0.013135557982619889 Energy: 0.17518774667644185 Energy: 0.013135557982954496 Energy: 0.17518774667644185 minimum gb energy = 0.011733831250999114 eV minimum distance = 2.83530856287948 Angstroms sigma value = 1