Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003 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=4.061213478446007 cohesive_energy=2.700628357150368 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: 0.00828642477572715 Energy: 0.83678978060974 Energy: 0.00828642477572715 Energy: 0.8367897806094913 Energy: 0.00828642477572715 Energy: 0.8367897806094913 Energy: 0.8367897806094913 Energy: 0.008636748437980011 Energy: 0.8367897806099747 Energy: 0.008636748437013697 Energy: 0.8367897806094913 Energy: 0.00863674843458411 Energy: 0.00828642477572715 Energy: 0.8367897806099747 Energy: 0.00828642477572715 Energy: 0.8367897806099747 Energy: 0.00828642477572715 Energy: 0.83678978060974 Energy: 0.83678978060974 Energy: 0.008636748437496854 Energy: 0.83678978060974 Energy: 0.00863674843458411 Energy: 0.8367897806094913 Energy: 0.008636748437013697 Energy: 0.00828642477572715 Energy: 0.83678978060974 Energy: 0.00828642477572715 Energy: 0.8367897806094913 Energy: 0.00828642477572715 Energy: 0.8367897806099747 Energy: 0.8367897806094913 Energy: 0.008636748437248374 Energy: 0.83678978060974 Energy: 0.008636748438214686 Energy: 0.8367897806094913 Energy: 0.008636748437013697 minimum gb energy = 0.00828642477572715 eV minimum distance = 2.8686079766023 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9535831350803938 Energy: 0.8517839843954896 Energy: 0.9535831350809919 Energy: 0.8517839843937224 Energy: 0.9535831350809919 Energy: 0.8517839843942933 Energy: 1.0042771856877526 Energy: 0.7801688713680934 Energy: 1.0042771856829673 Energy: 0.7801688713680934 Energy: 1.004277185681173 Energy: 0.7801688713674952 Energy: 0.8767482799459466 Energy: 0.8941187900411974 Energy: 0.876748279947741 Energy: 0.8941187900417957 Energy: 0.8767482799453485 Energy: 0.8941187900411974 Energy: 0.9603161136604105 Energy: 0.8388307045555274 Energy: 0.9603161136610087 Energy: 0.8388307045555274 Energy: 0.960316113662803 Energy: 0.8388307045555274 Energy: 0.8864451420157511 Energy: 0.9565135120880809 Energy: 0.8864451420163492 Energy: 0.9565135120874827 Energy: 0.8864451420163492 Energy: 0.9565135120880809 Energy: 0.9197983831172724 Energy: 0.8187978091499045 Energy: 0.9197983831172724 Energy: 0.8187978091546895 Energy: 0.9197983831178704 Energy: 0.8187978091564837 Energy: 0.8785238342302858 Energy: 0.9298078551178647 Energy: 0.8785238342260989 Energy: 0.9298078551190609 Energy: 0.8785238342314821 Energy: 0.929807855119659 Energy: 0.8300578137889968 Energy: 0.9904116701530272 Energy: 0.8300578137878006 Energy: 0.9904116701536255 Energy: 0.8300578137889968 Energy: 0.9904116701524293 Energy: 0.9309863414290543 Energy: 0.930701559005894 Energy: 0.9309863414290543 Energy: 0.930701559005894 Energy: 0.9309863414290543 Energy: 0.930701559005894 Energy: 0.7748463968657967 Energy: 0.9851198917944571 Energy: 0.774846396866993 Energy: 0.9851198917974477 Energy: 0.7748463968663948 Energy: 0.9851198917920647 Energy: 0.9215881799206294 Energy: 0.8246690202910543 Energy: 0.9215880532364201 Energy: 0.8246690202916522 Energy: 0.9215838633175022 Energy: 0.8246690202910543 Energy: 0.7356586253139539 Energy: 0.9494301260478087 Energy: 0.7356586253139539 Energy: 0.9494301260484068 Energy: 0.7356586253139539 Energy: 0.9494301260472107 Energy: 1.004799614359263 Energy: 0.7259097191626286 Energy: 1.0047996143580669 Energy: 0.7259097191632267 Energy: 1.0047996143586648 Energy: 0.7259097191632267 Energy: 0.8294081930786299 Energy: 0.8846561189900627 Energy: 0.8294081930786299 Energy: 0.8846561189906608 Energy: 0.8294081930792281 Energy: 0.8846561189894644 Energy: 1.033834351589392 Energy: 0.777656412197695 Energy: 1.0338343515911863 Energy: 0.7776564121970969 Energy: 1.033834351588794 Energy: 0.7776564121959008 Energy: 1.0364372395297494 Energy: 0.9194326991313048 Energy: 1.0364372395297494 Energy: 0.9194326991319027 Energy: 1.0364372395291512 Energy: 0.9194326991313048 Energy: 0.9225354383104465 Energy: 0.9029431607283007 Energy: 0.9225354383104465 Energy: 0.9029431607283007 Energy: 0.9225354383110447 Energy: 0.9029431607288989 Energy: 0.922260776365846 Energy: 0.8403090634774119 Energy: 0.9222607763664443 Energy: 0.84030906347801 Energy: 0.9222607763646499 Energy: 0.8403090634774119 Energy: 0.7728578121005454 Energy: 0.8386589540836257 Energy: 0.7728578121011435 Energy: 0.8386589540866164 Energy: 0.7728578121017416 Energy: 0.8386589540830277 Energy: 0.9062947982942376 Energy: 0.8189611103888871 Energy: 0.9062947982978264 Energy: 0.8189611103870926 Energy: 0.9062947982978264 Energy: 0.8189611103876908 Energy: 0.7870698498137442 Energy: 0.9688183217706925 Energy: 0.7870698498143424 Energy: 0.968818311158113 Energy: 0.7870698498131461 Energy: 0.9688183111754586 Energy: 0.9317150225969723 Energy: 0.931305265885087 Energy: 0.9317150225945796 Energy: 0.931305265885087 Energy: 0.9317150225975703 Energy: 0.9313052658856851 Energy: 0.7422843223876464 Energy: 1.0050077903672257 Energy: 0.7422843223870482 Energy: 1.0050077903702161 Energy: 0.7422843223876464 Energy: 1.00500779036902 minimum gb energy = 0.7259097191626286 eV minimum distance = 2.61312484165199 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.0303776084387004 Energy: 0.9932458881710392 Energy: 0.9785534800153645 Energy: 0.9932458881703586 Energy: 1.0303776084383602 Energy: 0.9932458881720597 Energy: 0.9668049982807915 Energy: 0.8594637565312687 Energy: 0.9668049982756884 Energy: 0.8594637565305883 Energy: 0.9668049982821524 Energy: 0.8594637565336503 Energy: 0.7896754250798812 Energy: 0.8585691310142982 Energy: 0.7896754250788606 Energy: 0.8585691310142982 Energy: 0.789675425079541 Energy: 0.8585691310142982 Energy: 0.9624295399355627 Energy: 0.9319775152035547 Energy: 0.9624295399369236 Energy: 0.9319775128622274 Energy: 0.9624295399335215 Energy: 0.931977513313841 Energy: 0.9031482475778818 Energy: 0.8938272122114426 Energy: 0.9031482475775416 Energy: 0.8938272122094013 Energy: 0.9031482475785624 Energy: 0.8938272122097415 Energy: 0.8659446858226917 Energy: 0.7138147131781182 Energy: 0.8659446858753934 Energy: 0.7138147131774378 Energy: 0.8659446858135061 Energy: 0.7138147131787986 Energy: 0.9929647083033534 Energy: 0.9720849422659421 Energy: 0.9929647083081165 Energy: 0.9720849422666226 Energy: 0.9929647083002916 Energy: 0.9720849422635607 Energy: 0.741750997251732 Energy: 0.9762558252378548 Energy: 0.7417509972534331 Energy: 0.9762558251416371 Energy: 0.741750997251732 Energy: 0.9762558251378949 Energy: 0.7893553211346854 Energy: 0.7921993287133091 Energy: 0.7893553211360462 Energy: 0.7921993287133091 Energy: 0.7893553211350256 Energy: 0.7921993287160307 Energy: 0.7738616086893687 Energy: 0.751687089708886 Energy: 0.7738662050532598 Energy: 0.7803769295926147 Energy: 0.7738616086893687 Energy: 0.7596390739639384 Energy: 0.9819833548102737 Energy: 0.776239845104799 Energy: 0.9819833547841084 Energy: 0.7762398451041186 Energy: 0.9819833546161063 Energy: 0.7762398451037783 Energy: 0.7903488866420719 Energy: 0.833186276232945 Energy: 0.7903494107050056 Energy: 0.833186276232945 Energy: 0.7903488866417318 Energy: 0.8331862762312748 Energy: 1.0007517789072042 Energy: 0.7842842587159717 Energy: 1.0007517789099258 Energy: 0.7842842587156315 Energy: 1.0007517789078846 Energy: 0.7842842587159717 Energy: 0.9694537832528851 Energy: 0.993462499504095 Energy: 0.9694537832518644 Energy: 0.993462499504095 Energy: 0.9694537832525448 Energy: 0.9934624995027341 Energy: 0.9174506180756322 Energy: 0.85907500046936 Energy: 0.9174506180814158 Energy: 0.8590750004679991 Energy: 0.917450618076653 Energy: 0.8590750004700403 Energy: 0.7898618947409267 Energy: 0.8588509340235569 Energy: 0.7898618947409267 Energy: 0.8588509340242373 Energy: 0.7898618947409267 Energy: 0.8588509340242373 Energy: 0.961270604785048 Energy: 0.9336353234978289 Energy: 0.9612706050560719 Energy: 0.9336353235015712 Energy: 0.9612706099621209 Energy: 0.9336353235002104 Energy: 0.9025245708408074 Energy: 0.7813717689664696 Energy: 0.9025245708411476 Energy: 0.7813717689671501 Energy: 0.9025245708394465 Energy: 0.7813717689688512 Energy: 0.8681105672172035 Energy: 0.887343349461942 Energy: 0.8681105672161827 Energy: 0.8873433494639833 Energy: 0.8681105672175436 Energy: 0.887343349461942 Energy: 0.9945107284408027 Energy: 0.9712672542154117 Energy: 0.994510728439782 Energy: 0.971267254215752 Energy: 0.994510728439782 Energy: 0.9712672542147314 Energy: 0.7415740185956462 Energy: 1.0389203717408815 Energy: 0.7415740185939451 Energy: 1.0389203717408815 Energy: 0.7415740185956462 Energy: 1.0389203717405413 Energy: 0.8778452557848987 Energy: 0.7921776958555273 Energy: 0.8778452557825173 Energy: 0.792177695855187 Energy: 0.8778452557852389 Energy: 0.7921776958548469 Energy: 0.7740481800254148 Energy: 0.7218677833772307 Energy: 0.77404445099658 Energy: 0.7092925417169686 Energy: 0.7740481800254148 Energy: 0.7110374755088914 Energy: 0.9804375681177038 Energy: 0.9023915905613347 Energy: 0.9804375681190647 Energy: 0.9023915905623553 Energy: 0.9804375681160027 Energy: 0.9023915905613347 Energy: 0.789599336918187 Energy: 0.8794970721825305 Energy: 0.7896497262003106 Energy: 0.8794970721842316 Energy: 0.789599336918187 Energy: 0.8794970721876335 Energy: 1.0202824686922352 Energy: 0.9955102999755282 Energy: 0.9690939644510058 Energy: 0.9955102999748477 Energy: 1.0202824686942762 Energy: 0.9955102999694043 Energy: 1.0203235422111014 Energy: 0.9864415046658791 Energy: 0.9691257280318504 Energy: 0.9864415046634978 Energy: 1.0203235422138233 Energy: 0.9864415046668997 Energy: 0.7896425511960576 Energy: 0.877979650574455 Energy: 0.7896425511957175 Energy: 0.877979650575816 Energy: 0.7896425511960576 Energy: 0.877979650575816 Energy: 0.7599990605241931 Energy: 0.8593296337476038 Energy: 0.7589935105216367 Energy: 0.859329633747944 Energy: 0.7804868407349694 Energy: 0.8593296337455626 Energy: 0.7740774836367219 Energy: 0.985519465249555 Energy: 0.774077483635361 Energy: 0.9855188836917932 Energy: 0.7740774836367219 Energy: 0.9855189120554654 Energy: 0.9026885968118822 Energy: 0.7807080980347626 Energy: 0.9026885968040883 Energy: 0.7807080980344224 Energy: 0.9026885968482846 Energy: 0.7807080980361235 Energy: 0.7841478079533521 Energy: 1.0014818219631456 Energy: 0.7841478079533521 Energy: 1.0014818219624653 Energy: 0.7841478079533521 Energy: 1.0014818219631456 Energy: 0.9944822585667137 Energy: 0.9712032298038135 Energy: 0.9944822585684147 Energy: 0.9712032298038135 Energy: 0.9944822585670539 Energy: 0.9712032298021125 Energy: 0.8609562693820011 Energy: 0.91740911955444 Energy: 0.8609562693837021 Energy: 0.9174091195523988 Energy: 0.8609562693826817 Energy: 0.9174091195496772 Energy: 0.8586239425071283 Energy: 0.7896674950723195 Energy: 0.8586239425071283 Energy: 0.7896674950726598 Energy: 0.8586239425074684 Energy: 0.789667495068237 Energy: 0.9319392317048487 Energy: 0.96219810626496 Energy: 0.9319392316626935 Energy: 0.9621981062734651 Energy: 0.9319392316235694 Energy: 0.962198106273125 Energy: 0.7898328950314013 Energy: 0.9028554804175009 Energy: 0.789838028858924 Energy: 0.9028554804198823 Energy: 0.7898328950314013 Energy: 0.9028554804195421 Energy: 0.8875825970628911 Energy: 0.8664238317963107 Energy: 0.8875825970635715 Energy: 0.8664238317959705 Energy: 0.8875825970625509 Energy: 0.8664238317966508 Energy: 0.9694428168383128 Energy: 0.9933062781103669 Energy: 0.9694428168379725 Energy: 0.993306278109006 Energy: 0.9694428168383128 Energy: 0.9933062781113875 Energy: 0.9879650348606551 Energy: 0.7417557884457686 Energy: 0.9879651428168654 Energy: 0.7417557884457686 Energy: 0.9879646039749801 Energy: 0.7417557884427066 Energy: 0.790367265508289 Energy: 0.7901298036723685 Energy: 0.7903672655072682 Energy: 0.7901298036723685 Energy: 0.790367265508289 Energy: 0.790129803673049 minimum gb energy = 0.7092925417169686 eV minimum distance = 2.66576252185618 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9224349257182662 Energy: 0.9246561086197941 Energy: 0.9224349257174781 Energy: 0.9246561086197941 Energy: 0.9224349257182662 Energy: 0.9246561086197941 Energy: 0.9669109423933366 Energy: 0.8277607402293884 Energy: 0.9669109423933366 Energy: 0.8277607402254471 Energy: 0.9669109423933366 Energy: 0.8277607402270236 Energy: 0.8312649016859047 Energy: 0.8956054889166496 Energy: 0.8312649016866928 Energy: 0.8956054888685836 Energy: 0.8312649016866928 Energy: 0.8956054888654305 Energy: 0.9091145870792172 Energy: 0.763718489824735 Energy: 0.9091145870792172 Energy: 0.763718489824735 Energy: 0.9091145870792172 Energy: 0.763718489824735 Energy: 0.9111488845311457 Energy: 0.8987738356630556 Energy: 0.9111488845327224 Energy: 0.8987738356638438 Energy: 0.9111488845327224 Energy: 0.8987738356638438 Energy: 0.9214842311446543 Energy: 0.8987127120773877 Energy: 0.921484231143078 Energy: 0.8987127120773877 Energy: 0.9214842311446543 Energy: 0.898712712078964 Energy: 0.8864987123112034 Energy: 0.8989126783567616 Energy: 0.8864987123096268 Energy: 0.8989126783551851 Energy: 0.8864987123096268 Energy: 0.8989126783567616 Energy: 0.8349924836064935 Energy: 0.8990711546593906 Energy: 0.8349924836057053 Energy: 0.8990711546570258 Energy: 0.8349924836057053 Energy: 0.8990711546570258 Energy: 1.0197126583746394 Energy: 0.7613348196350022 Energy: 1.019712658373063 Energy: 0.7613348196357904 Energy: 1.019712658373063 Energy: 0.7613348196357904 Energy: 0.7767505401983434 Energy: 1.0043918189984498 Energy: 0.7767505401983434 Energy: 1.0043918189992382 Energy: 0.7767505401983434 Energy: 1.0043918190000265 Energy: 0.7024247422170061 Energy: 0.7697319271965539 Energy: 0.9286034465596781 Energy: 0.7697319271965539 Energy: 0.722325908009961 Energy: 0.7697319271965539 Energy: 0.9215412163075873 Energy: 0.9252999075984325 Energy: 0.9215412163075873 Energy: 0.9252999075952795 Energy: 0.9215412163083756 Energy: 0.9252999075960677 Energy: 0.9660418258494157 Energy: 0.8283213470886805 Energy: 0.9660418241065499 Energy: 0.8283213470878922 Energy: 0.9660418144648664 Energy: 0.8283213470886805 Energy: 0.8898702733950684 Energy: 0.8476258653311805 Energy: 0.8898702733950684 Energy: 0.8476258653311805 Energy: 0.8898702733958566 Energy: 0.847625865332757 Energy: 0.8958296627020196 Energy: 0.9158284988799952 Energy: 0.8958296627020196 Energy: 0.9158284988799952 Energy: 0.895829662702808 Energy: 0.9158284988799952 Energy: 0.9104228057260844 Energy: 0.89873856431007 Energy: 0.9104228057260844 Energy: 0.8987385643092818 Energy: 0.9104228057245078 Energy: 0.8987385643092818 Energy: 0.9111426686075789 Energy: 0.9764834272886297 Energy: 0.9111426686091553 Energy: 0.9764834272862649 Energy: 0.9111426686075789 Energy: 0.9764834272909944 Energy: 0.8877381589188018 Energy: 0.8997222186226795 Energy: 0.8877381589188018 Energy: 0.8997222186226795 Energy: 0.8877381589188018 Energy: 0.8997222186226795 minimum gb energy = 0.7024247422170061 eV minimum distance = 2.51518951562346 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7417995062584274 Energy: 0.7553314907199681 Energy: 0.7417995062584274 Energy: 0.7553314907199681 Energy: 0.74179950625796 Energy: 0.7553314907209033 Energy: 0.824003119936174 Energy: 0.9175769616579734 Energy: 0.8240031199375766 Energy: 0.9175769616575059 Energy: 0.8240031199357063 Energy: 0.9175769616579734 Energy: 0.7155531759039022 Energy: 0.9162600190576622 Energy: 0.7155531759039022 Energy: 0.9162600190581297 Energy: 0.7155531759043698 Energy: 0.9162600190576622 Energy: 0.7765112889919683 Energy: 0.7154806351740917 Energy: 0.7765112889891628 Energy: 0.7154806351745591 Energy: 0.7765112889896303 Energy: 0.7154806351740917 Energy: 0.7358245822428838 Energy: 0.7395378940079473 Energy: 0.7358245822424163 Energy: 0.7395378940070122 Energy: 0.7358245822433516 Energy: 0.7395378940074797 Energy: 0.7357916272663382 Energy: 0.7396465074037171 Energy: 0.7357916272663382 Energy: 0.7396465074018468 Energy: 0.7357916272668059 Energy: 0.7396465074018468 Energy: 0.7765126884337766 Energy: 0.7154638111714825 Energy: 0.7765126884291007 Energy: 0.715463811171015 Energy: 0.7765126884291007 Energy: 0.715463811171015 Energy: 0.7155322014528861 Energy: 0.9161103551111928 Energy: 0.7155322014524186 Energy: 0.9161103551116604 Energy: 0.7155322014528861 Energy: 0.9161103551107252 Energy: 0.8239908368972412 Energy: 0.9173863088681607 Energy: 0.823990836892098 Energy: 0.9173863088681607 Energy: 0.8239908368935006 Energy: 0.9173863088681607 Energy: 0.7417995062584274 Energy: 0.7553314907213708 Energy: 0.7417995062584274 Energy: 0.7553314907218384 Energy: 0.7417995062584274 Energy: 0.7553314907209033 Energy: 0.8240031199375766 Energy: 0.9175769616579734 Energy: 0.8240031199343036 Energy: 0.9175769616579734 Energy: 0.824003119937109 Energy: 0.9175769616579734 Energy: 0.7155531759039022 Energy: 0.9162600190581297 Energy: 0.7155531759039022 Energy: 0.9162600190595324 Energy: 0.7155531759034348 Energy: 0.9162600190576622 Energy: 0.776511288990098 Energy: 0.7154806351740917 Energy: 0.776511288990098 Energy: 0.7154806351740917 Energy: 0.77651128898776 Energy: 0.7154806351740917 Energy: 0.7358245822424163 Energy: 0.7395378940074797 Energy: 0.7358245822424163 Energy: 0.7395378940070122 Energy: 0.7358245822424163 Energy: 0.7395378940060771 Energy: 0.7357916272658708 Energy: 0.7396465074027819 Energy: 0.7357916272663382 Energy: 0.7396465074023144 Energy: 0.7357916272663382 Energy: 0.7396465074023144 Energy: 0.7765126884319062 Energy: 0.7154638111714825 Energy: 0.7765126884295684 Energy: 0.715463811171015 Energy: 0.7765126884305036 Energy: 0.7154638111714825 Energy: 0.7155322014524186 Energy: 0.9161103551116604 Energy: 0.7155322014528861 Energy: 0.9161103551111928 Energy: 0.7155322014524186 Energy: 0.9161103551111928 Energy: 0.8239908368935006 Energy: 0.9173863088681607 Energy: 0.8239908368902276 Energy: 0.9173863088681607 Energy: 0.8239908368939682 Energy: 0.9173863088681607 Energy: 0.7417995062584274 Energy: 0.7553314907209033 Energy: 0.74179950625796 Energy: 0.7553314907199681 Energy: 0.7417995062584274 Energy: 0.7553314907204358 Energy: 0.8240031199352388 Energy: 0.9175769616579734 Energy: 0.8240031199389792 Energy: 0.9175769616579734 Energy: 0.824003119936174 Energy: 0.917576961658441 Energy: 0.7155531759039022 Energy: 0.9162600190571946 Energy: 0.7155531759039022 Energy: 0.9162600190585972 Energy: 0.7155531759039022 Energy: 0.9162600190571946 Energy: 0.776511288991033 Energy: 0.7154806351745591 Energy: 0.7765112889882276 Energy: 0.7154806351740917 Energy: 0.7765112889882276 Energy: 0.7154806351740917 Energy: 0.7358245822424163 Energy: 0.7395378940070122 Energy: 0.7358245822424163 Energy: 0.7395378940070122 Energy: 0.7358245822424163 Energy: 0.7395378940079473 Energy: 0.7357916272658708 Energy: 0.7396465074027819 Energy: 0.7357916272663382 Energy: 0.7396465074032496 Energy: 0.7357916272663382 Energy: 0.7396465074027819 Energy: 0.7765126884291007 Energy: 0.715463811171015 Energy: 0.7765126884314387 Energy: 0.7154638111714825 Energy: 0.7765126884314387 Energy: 0.7154638111719502 Energy: 0.7155322014533536 Energy: 0.9161103551116604 Energy: 0.7155322014528861 Energy: 0.9161103551125955 Energy: 0.7155322014528861 Energy: 0.9161103551121279 Energy: 0.8239908368930331 Energy: 0.9173863088676931 Energy: 0.8239908368963061 Energy: 0.9173863088681607 Energy: 0.8239908368949034 Energy: 0.9173863088681607 Energy: 0.7417995062584274 Energy: 0.7553314907204358 Energy: 0.7417995062584274 Energy: 0.7553314907204358 Energy: 0.7417995062584274 Energy: 0.7553314907209033 Energy: 0.824003119936174 Energy: 0.917576961658441 Energy: 0.8240031199380442 Energy: 0.9175769616579734 Energy: 0.8240031199329009 Energy: 0.9175769616579734 Energy: 0.7155531759039022 Energy: 0.9162600190590647 Energy: 0.7155531759039022 Energy: 0.9162600190581297 Energy: 0.7155531759039022 Energy: 0.9162600190590647 minimum gb energy = 0.715463811171015 eV minimum distance = 2.54762288478314 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7116298060617233 Energy: 0.6970816724734695 Energy: 0.7116298060617233 Energy: 0.6970816724734695 Energy: 0.7116298060617233 Energy: 0.6970816724734695 Energy: 0.8169569180266096 Energy: 0.7165564809855819 Energy: 0.8169569180254644 Energy: 0.7165564809867272 Energy: 0.8169569180266096 Energy: 0.7165564809855819 Energy: 0.7240808339387483 Energy: 0.78414209511541 Energy: 0.7240808339376031 Energy: 0.78414209511541 Energy: 0.7240808339387483 Energy: 0.78414209511541 Energy: 0.7812310800550595 Energy: 0.6781687510190127 Energy: 0.7812310800584954 Energy: 0.6781687510178673 Energy: 0.7812310800573501 Energy: 0.6781687510178673 Energy: 0.8709437257046752 Energy: 0.6783273168282551 Energy: 0.8709437257035298 Energy: 0.6783273168294004 Energy: 0.8709437257035298 Energy: 0.6783273168282551 Energy: 0.8400416091593848 Energy: 0.8641759583891018 Energy: 0.8400416091582394 Energy: 0.8641759583891018 Energy: 0.8400416091582394 Energy: 0.8641759583891018 Energy: 0.7900198311611438 Energy: 0.7187229370441656 Energy: 0.7900198311611438 Energy: 0.7187229370441656 Energy: 0.7900198311599984 Energy: 0.7187229370441656 Energy: 0.706977913812793 Energy: 0.6969780563966977 Energy: 0.706977913812793 Energy: 0.6969780563966977 Energy: 0.7069779138116477 Energy: 0.6969780563966977 Energy: 0.7981174323922373 Energy: 0.7239552125757099 Energy: 0.7981174312440035 Energy: 0.7239552125230513 Energy: 0.7981174240099376 Energy: 0.723955212521906 Energy: 0.774156446018918 Energy: 0.8353921566138495 Energy: 0.7741564460177727 Energy: 0.8353921566127042 Energy: 0.7741564460166274 Energy: 0.8353921566127042 Energy: 0.6967300017204177 Energy: 0.6790824144064036 Energy: 0.6967300017204177 Energy: 0.6790824144064036 Energy: 0.6967300017204177 Energy: 0.679082414407549 Energy: 0.8400175113126651 Energy: 0.7981615617067599 Energy: 0.8400174975154295 Energy: 0.7981615617021786 Energy: 0.8400175222307262 Energy: 0.7981615617033239 minimum gb energy = 0.6781687510178673 eV minimum distance = 2.51850321137217 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7285254400272725 Energy: 0.6443288239381028 Energy: 0.7285254400266288 Energy: 0.644328823937781 Energy: 0.7285254400275942 Energy: 0.644328823937781 Energy: 0.6647788180126253 Energy: 0.6354999937806 Energy: 0.6647788180119818 Energy: 0.6354999937802782 Energy: 0.6647788180116599 Energy: 0.6354999937806 Energy: 0.61668608830173 Energy: 0.6784140229651838 Energy: 0.6166860883023736 Energy: 0.6784140229645402 Energy: 0.6166860883010864 Energy: 0.6784140229632529 Energy: 0.6336623351939852 Energy: 0.6064036815844203 Energy: 0.6336623351939852 Energy: 0.606403681584742 Energy: 0.633662335194307 Energy: 0.606403681581524 Energy: 0.6632699066480683 Energy: 0.6446943695253455 Energy: 0.663269906647103 Energy: 0.6446943695269546 Energy: 0.663269906647103 Energy: 0.6446943695253455 Energy: 0.6953481418280473 Energy: 0.6873739641485492 Energy: 0.6953481418261165 Energy: 0.6873739641514455 Energy: 0.6953481418306218 Energy: 0.6873739641501582 Energy: 0.660420191063683 Energy: 0.7254307769637407 Energy: 0.6604201910617522 Energy: 0.7254307769637407 Energy: 0.6604201910627177 Energy: 0.7254307769637407 Energy: 0.5982356559954847 Energy: 0.6655269884871968 Energy: 0.5982356559954847 Energy: 0.6655269884836571 Energy: 0.5982356559958065 Energy: 0.6655269884868751 Energy: 0.668794084070228 Energy: 0.6448195760917832 Energy: 0.6687940840663663 Energy: 0.6448195760917832 Energy: 0.6687940840760205 Energy: 0.6448195760917832 Energy: 0.6588029882784647 Energy: 0.72758059766801 Energy: 0.6588029882784647 Energy: 0.7275805976692973 Energy: 0.6588029882787865 Energy: 0.7275805976689755 Energy: 0.6318691192417712 Energy: 0.6109831505760771 Energy: 0.6318691192417712 Energy: 0.6109831505767208 Energy: 0.6318691192414496 Energy: 0.6109831505763988 Energy: 0.6323886694484745 Energy: 0.6958397362506084 Energy: 0.632388669447509 Energy: 0.695839736256079 Energy: 0.6323886694500834 Energy: 0.695839736256079 Energy: 0.6741202303012633 Energy: 0.6765043347156834 Energy: 0.674120230308665 Energy: 0.6765043347172924 Energy: 0.674120230303516 Energy: 0.6765043347156834 Energy: 0.7248581528980157 Energy: 0.6359584347459444 Energy: 0.7248581529028427 Energy: 0.6359584347478753 Energy: 0.7248581529005902 Energy: 0.6359584347443354 Energy: 0.6185813592642063 Energy: 0.6591184828268666 Energy: 0.61858135926485 Energy: 0.6591184828255794 Energy: 0.61858135926485 Energy: 0.6591184828252575 Energy: 0.6207241139573518 Energy: 0.661194753489187 Energy: 0.6207241139583173 Energy: 0.661194753490796 Energy: 0.6207241139560645 Energy: 0.661194753485647 Energy: 0.6126651161836354 Energy: 0.6069867653316015 Energy: 0.6127597751977174 Energy: 0.6069867653328886 Energy: 0.612572594421204 Energy: 0.606986765330636 Energy: 0.6242752936476075 Energy: 0.6521560460317657 Energy: 0.6242752936482512 Energy: 0.6521560460320875 Energy: 0.6242752936472857 Energy: 0.6521560460317657 Energy: 0.5953588110740934 Energy: 0.7602031470598276 Energy: 0.595358811073128 Energy: 0.7602031470527478 Energy: 0.5953588110750588 Energy: 0.7602031470479207 Energy: 0.7271962695913537 Energy: 0.6155635337202783 Energy: 0.7271962695939281 Energy: 0.6155635337202783 Energy: 0.7271962695919973 Energy: 0.6155635337206001 Energy: 0.5955163868666213 Energy: 0.7602168110508002 Energy: 0.5955163868656559 Energy: 0.7602168110501566 Energy: 0.5955163868669432 Energy: 0.7602168110379278 Energy: 0.6243515077527027 Energy: 0.6521472417703553 Energy: 0.6243515077533464 Energy: 0.6521472417700336 Energy: 0.6243515077533464 Energy: 0.6521472417700336 Energy: 0.6129146274611668 Energy: 0.606897671938341 Energy: 0.6129256977768406 Energy: 0.606897671938341 Energy: 0.6129949270750514 Energy: 0.6068976719393064 Energy: 0.6206894441023768 Energy: 0.7176391261110856 Energy: 0.620689444098837 Energy: 0.7176391260821523 Energy: 0.6206894441001242 Energy: 0.7176391260882373 Energy: 0.618563084716742 Energy: 0.6588646494001502 Energy: 0.6185630847180291 Energy: 0.658864649400472 Energy: 0.6185630847173855 Energy: 0.6588646493995065 Energy: 0.7248212046436571 Energy: 0.6792769212184285 Energy: 0.7248212046465535 Energy: 0.6792769212164977 Energy: 0.7248212046443008 Energy: 0.679276921217785 Energy: 0.6741474152984567 Energy: 0.6765476596601732 Energy: 0.674147415301353 Energy: 0.6765476596607874 Energy: 0.6741474152746724 Energy: 0.6765476596604949 Energy: 0.6325069657851844 Energy: 0.673700726462379 Energy: 0.6325069657851844 Energy: 0.6737007264701025 Energy: 0.6325069657855062 Energy: 0.673700726463988 Energy: 0.6318830507193667 Energy: 0.6108829165961697 Energy: 0.6318830507196885 Energy: 0.610882916595526 Energy: 0.6318830507200103 Energy: 0.6108829165961697 Energy: 0.6587852435374046 Energy: 0.6443439826951031 Energy: 0.6587852435383701 Energy: 0.6443439826951031 Energy: 0.6587852435383701 Energy: 0.6443439826922069 Energy: 0.6688150256632556 Energy: 0.6447708532815647 Energy: 0.6688150256648646 Energy: 0.6447708532812431 Energy: 0.668815025667761 Energy: 0.6447708532815647 Energy: 0.5981626070182413 Energy: 0.6656240891151503 Energy: 0.5981626070166322 Energy: 0.6656240891161156 Energy: 0.5981626070192066 Energy: 0.6656240891161156 Energy: 0.660473083402593 Energy: 0.7253559554173379 Energy: 0.660473083402593 Energy: 0.7253559554176597 Energy: 0.660473083400984 Energy: 0.7253559554173379 Energy: 0.695263280832663 Energy: 0.6822129165919787 Energy: 0.6952632808316975 Energy: 0.6822129165939095 Energy: 0.6952632808313758 Energy: 0.6822129165910132 Energy: 0.6632685042219921 Energy: 0.6447494126354454 Energy: 0.6632685042219921 Energy: 0.6447494126351236 Energy: 0.6632685042219921 Energy: 0.6447494126348018 Energy: 0.6337602499293375 Energy: 0.6063954629885954 Energy: 0.6337602499290158 Energy: 0.6063954629889172 Energy: 0.6337602499293375 Energy: 0.6063954629879518 Energy: 0.6166425289582286 Energy: 0.6783835919384269 Energy: 0.6166425289595159 Energy: 0.6783835919397141 Energy: 0.616642528959194 Energy: 0.678383591940036 Energy: 0.664663945509952 Energy: 0.6422633838505994 Energy: 0.6646639455105956 Energy: 0.6422633838486685 Energy: 0.6646639455089866 Energy: 0.6422633838460942 Energy: 0.7285254400237325 Energy: 0.6443288239371374 Energy: 0.7285254400243761 Energy: 0.6443288239374592 Energy: 0.7285254400237325 Energy: 0.6443288239374592 Energy: 0.6647788180084419 Energy: 0.6354999937809218 Energy: 0.6647788180090854 Energy: 0.6354999937812436 Energy: 0.6647788180087636 Energy: 0.6354999937809218 Energy: 0.6166860883007645 Energy: 0.6784140229632529 Energy: 0.6166860883007645 Energy: 0.678414022961644 Energy: 0.6166860883004427 Energy: 0.6784140229642184 Energy: 0.6336623351920543 Energy: 0.6064036815844203 Energy: 0.6336623351917325 Energy: 0.6064036815805586 Energy: 0.633662335192698 Energy: 0.6064036815837766 Energy: 0.6632699066464592 Energy: 0.6446943695253455 Energy: 0.6632699066467811 Energy: 0.6446943695266328 Energy: 0.6632699066467811 Energy: 0.6446943695253455 minimum gb energy = 0.595358811073128 eV minimum distance = 2.64467642716654 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.7115042891467614 Energy: 0.5529608747160875 Energy: 0.33521083692612613 Energy: 0.5529608747153549 Energy: 0.711504289146029 Energy: 0.5529608747153549 Energy: 0.6029360652335324 Energy: 0.5525488168382023 Energy: 0.6029360652335324 Energy: 0.5525062652686412 Energy: 0.6029360652327999 Energy: 0.5525488168396674 Energy: 0.5546431242510678 Energy: 0.5494628248089716 Energy: 0.5546431242496027 Energy: 0.5105421175212306 Energy: 0.5546431242503352 Energy: 0.5494628248075064 Energy: 0.5824622180182412 Energy: 0.5007750781755853 Energy: 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Energy: 0.5933847266203218 Energy: 0.3584162982357436 Energy: 0.5933847266181242 Energy: 0.38627989269608315 Energy: 0.55268762025556 Energy: 0.3862798926982808 Energy: 0.5526876202577574 Energy: 0.38627989269754825 Energy: 0.5526876202577574 Energy: 0.7115042891474941 Energy: 0.5529608747153549 Energy: 0.33521083692685866 Energy: 0.5529608747153549 Energy: 0.7115042891452964 Energy: 0.5529608747146224 Energy: 0.6029360652342649 Energy: 0.5525488168396674 Energy: 0.6029360652342649 Energy: 0.5525062652679087 Energy: 0.6029360652335324 Energy: 0.5525488168396674 Energy: 0.5546431242518003 Energy: 0.5494628248111693 Energy: 0.5546431242503352 Energy: 0.5105421175190329 Energy: 0.5546431242503352 Energy: 0.5494628248067739 Energy: 0.5824622180197063 Energy: 0.5007750781748528 Energy: 0.5824622180189738 Energy: 0.33467921800618106 Energy: 0.5824622180182412 Energy: 0.5007750781748528 Energy: 0.3861809070821881 Energy: 0.6030424179313945 Energy: 0.3861809070814555 Energy: 0.6030424179306619 Energy: 0.3861809070821881 Energy: 0.6030424179313945 Energy: 0.334727713227828 Energy: 0.5573956949100521 Energy: 0.33472771322489775 Energy: 0.5573956949093196 Energy: 0.33472771322563033 Energy: 0.557395694908587 Energy: 0.3347676721489555 Energy: 0.35945995027898614 Energy: 0.3347676721489555 Energy: 0.3594599502782536 Energy: 0.3347676721474904 Energy: 0.3594599502782536 Energy: 0.6212682183539312 Energy: 0.3871126146210535 Energy: 0.6212682183531986 Energy: 0.3871126146195884 Energy: 0.6212682183539312 Energy: 0.3871126146225186 minimum gb energy = 0.33467921800471595 eV minimum distance = 2.7295874686816 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.525834486645159 Energy: 0.7038872817309169 Energy: 0.5258344866446223 Energy: 0.7038872817309169 Energy: 0.5258344866462321 Energy: 0.7038872817309169 Energy: 0.5904355653400214 Energy: 0.5836048442600196 Energy: 0.5904355598814203 Energy: 0.583604844259483 Energy: 0.5904355593541559 Energy: 0.5836048442605561 Energy: 0.713173700403131 Energy: 0.7548011848843154 Energy: 0.7131737004047409 Energy: 0.7548011848853886 Energy: 0.7131737004149364 Energy: 0.754801184884852 Energy: 0.7327106878646428 Energy: 0.4962278054552672 Energy: 0.7327106878651792 Energy: 0.4962278054552672 Energy: 0.7327106878624964 Energy: 0.49622780545473055 Energy: 0.6925150304665104 Energy: 0.48275359757274866 Energy: 0.6925150304654372 Energy: 0.48275359757274866 Energy: 0.6925150304654372 Energy: 0.48275359757274866 Energy: 0.5051170243729547 Energy: 0.49106273035774023 Energy: 0.505117024374028 Energy: 0.49106273035720366 Energy: 0.5051170243729547 Energy: 0.49106273035720366 Energy: 0.4730178399793746 Energy: 0.5129569507735408 Energy: 0.47301783997991115 Energy: 0.5129569507751506 Energy: 0.4730178399793746 Energy: 0.5129569507762237 Energy: 0.6047338632347334 Energy: 0.46337686525505406 Energy: 0.6047338632331236 Energy: 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Energy: 0.7174009673968446 Energy: 0.7414777666197285 Energy: 0.6867281178322229 Energy: 0.5824582846147043 Energy: 0.6867281178338327 Energy: 0.5824582846147043 Energy: 0.6867281178338327 Energy: 0.5824582846147043 Energy: 0.5041312693279307 Energy: 0.7064480493545717 Energy: 0.5041312693279307 Energy: 0.7064480493545717 Energy: 0.5041312693279307 Energy: 0.7064480493545717 Energy: 0.5042729621051982 Energy: 0.585568211698638 Energy: 0.5042729621078812 Energy: 0.5855682116991746 Energy: 0.5042729621089544 Energy: 0.5855682116991746 Energy: 0.731194389846322 Energy: 0.5343753138882918 Energy: 0.7311943898479317 Energy: 0.5343753138818526 Energy: 0.7311943898468586 Energy: 0.5343753138968775 Energy: 0.6285434411550689 Energy: 0.49285439360991745 Energy: 0.6285434411556053 Energy: 0.49285439360991745 Energy: 0.6285434411550689 Energy: 0.49285439360991745 Energy: 0.6926506213094195 Energy: 0.5014553230392942 Energy: 0.6926506213088828 Energy: 0.5014553230387576 Energy: 0.6926506213094195 Energy: 0.5014553230392942 Energy: 0.4706528671380481 Energy: 0.5008193033616952 Energy: 0.4706528671380481 Energy: 0.500819303363305 Energy: 0.4706528671375114 Energy: 0.5008193033600853 Energy: 0.4945064451328468 Energy: 0.5128051892415187 Energy: 0.4945064451333835 Energy: 0.5128051892404455 Energy: 0.49450644513231024 Energy: 0.5128051892399089 Energy: 0.597054082478636 Energy: 0.5994923514441785 Energy: 0.5970540824775626 Energy: 0.5994923514425686 Energy: 0.5970540824764895 Energy: 0.5994923514431053 Energy: 0.6076986772722196 Energy: 0.586856858411968 Energy: 0.6076986772727561 Energy: 0.586856858411968 Energy: 0.6076986772732927 Energy: 0.5868568584114313 Energy: 0.47078489242304083 Energy: 0.7207391517198405 Energy: 0.47078489242304083 Energy: 0.7207391507136066 Energy: 0.47078489242304083 Energy: 0.7207391507415101 Energy: 0.9631937727033961 Energy: 0.6654903699001037 Energy: 0.9631937727039328 Energy: 0.6654903699001037 Energy: 0.9631937727033961 Energy: 0.6654903698995671 minimum gb energy = 0.46337686525398086 eV minimum distance = 2.58457756543811 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5914400792736542 Energy: 0.5348253595918953 Energy: 0.5914400792732312 Energy: 0.5348253595914723 Energy: 0.5914400792732312 Energy: 0.5348253595914723 Energy: 0.5534960670805898 Energy: 0.5252195157753075 Energy: 0.5534960670814356 Energy: 0.5252195157753075 Energy: 0.5534960670805898 Energy: 0.5252195157740386 Energy: 0.6693307908515708 Energy: 0.5976631498883785 Energy: 0.6693307908507248 Energy: 0.5976631498883785 Energy: 0.6693307908519938 Energy: 0.5976631498909162 Energy: 0.5465441461781796 Energy: 0.515033136525179 Energy: 0.5465441461769107 Energy: 0.515033136525179 Energy: 0.5465441461777566 Energy: 0.515033136525179 Energy: 0.5213915633482048 Energy: 0.5533018900652874 Energy: 0.5213915633477819 Energy: 0.5533018900652874 Energy: 0.5213915633482048 Energy: 0.5533018900657104 Energy: 0.5424846199969212 Energy: 0.5318550899435569 Energy: 0.5424846199969212 Energy: 0.5318550899464984 Energy: 0.5424846199969212 Energy: 0.5318550899439607 Energy: 0.516850406039537 Energy: 0.8035064554871907 Energy: 0.51685040603996 Energy: 0.8035064554871907 Energy: 0.516850406039114 Energy: 0.8035064554859219 Energy: 0.49859846272539443 Energy: 0.5150434341326332 Energy: 0.49859846272539443 Energy: 0.5150434341326332 Energy: 0.49859846272539443 Energy: 0.5150434341326332 Energy: 0.5280342273687104 Energy: 0.5520138202014218 Energy: 0.5280342273687104 Energy: 0.5520138202014218 Energy: 0.5280342273687104 Energy: 0.5520138202014218 Energy: 0.5423790003280018 Energy: 0.5562119716925219 Energy: 0.54237900032631 Energy: 0.5562119716967513 Energy: 0.5423790003280018 Energy: 0.5562119716950595 Energy: 0.5467700578471522 Energy: 0.5640864705177105 Energy: 0.5467700578475752 Energy: 0.5640864705223629 Energy: 0.5467700578471522 Energy: 0.5640864705194024 Energy: 0.49562718534239103 Energy: 0.516622672022157 Energy: 0.49562718534239103 Energy: 0.5166226720200423 Energy: 0.49562718534239103 Energy: 0.5166226720238488 Energy: 0.49777569653577813 Energy: 0.5148784199285593 Energy: 0.4977756965353552 Energy: 0.5148784199285593 Energy: 0.49777569653577813 Energy: 0.5148784199289822 Energy: 0.49378617352418575 Energy: 0.555997847038648 Energy: 0.49378617352376275 Energy: 0.5559978470403397 Energy: 0.49378617352376275 Energy: 0.555997847038225 Energy: 0.5467405960009536 Energy: 0.5320747541098325 Energy: 0.5467405960009536 Energy: 0.532074754106449 Energy: 0.5467405960009536 Energy: 0.532074754106449 Energy: 0.486171381335526 Energy: 0.5611566112250688 Energy: 0.4861713813351031 Energy: 0.5611566112237999 Energy: 0.4861713813351031 Energy: 0.5611566112280293 Energy: 0.5055291031746253 Energy: 0.514918654720904 Energy: 0.5055291031746253 Energy: 0.5149186547213269 Energy: 0.5055291031742023 Energy: 0.5149186547213269 Energy: 0.5214318596874404 Energy: 0.5977742927875906 Energy: 0.5214318596878633 Energy: 0.5977742927804198 Energy: 0.5214318596874404 Energy: 0.5977742927897053 Energy: 0.5532361182096687 Energy: 0.5248730310990349 Energy: 0.5532361182092457 Energy: 0.5248730310973431 Energy: 0.5532361182096687 Energy: 0.5248730310973431 Energy: 0.5435718437845771 Energy: 0.518807658502933 Energy: 0.5435718437845771 Energy: 0.5188076585020871 Energy: 0.5435718437845771 Energy: 0.518807658502933 Energy: 0.5059250964411233 Energy: 0.52562382886276 Energy: 0.5059250964423919 Energy: 0.525623828862337 Energy: 0.505925096441969 Energy: 0.5256238288610683 Energy: 0.5271941209214859 Energy: 0.5908451690455038 Energy: 0.5271941209231776 Energy: 0.5908451690480414 Energy: 0.5271941209214859 Energy: 0.5908451690471955 Energy: 0.5464854698100856 Energy: 0.5192619059975457 Energy: 0.5464854698096627 Energy: 0.5192619059975457 Energy: 0.5464854698096627 Energy: 0.5192619059975457 Energy: 0.48633613122374975 Energy: 0.5589185868770559 Energy: 0.48633613122374975 Energy: 0.5589185868825541 Energy: 0.48633613122417263 Energy: 0.5589185868800164 Energy: 0.4862580519910745 Energy: 0.531926123744307 Energy: 0.4862580519914974 Energy: 0.5319261237464218 Energy: 0.4862580519914974 Energy: 0.5319261237438841 Energy: 0.5129838486193851 Energy: 0.5538645620957414 Energy: 0.5129838486189622 Energy: 0.5538645620965872 Energy: 0.5129838486189622 Energy: 0.5538645620974332 Energy: 0.49853369781420254 Energy: 0.5191997629856641 Energy: 0.49853369781377954 Energy: 0.5191997629860869 Energy: 0.49853369781377954 Energy: 0.5191997629856641 Energy: 0.52759605922204 Energy: 0.5582564010805903 Energy: 0.52759605922204 Energy: 0.5582564010801673 Energy: 0.52759605922204 Energy: 0.5582564010810132 Energy: 0.5422820782418828 Energy: 0.5267067444167216 Energy: 0.5422820782422866 Energy: 0.5267067444171446 Energy: 0.5422820782418828 Energy: 0.5267067444213739 Energy: 0.5869463965092245 Energy: 0.530679386608874 Energy: 0.5869463965104933 Energy: 0.5306793866050676 Energy: 0.5869463965096474 Energy: 0.5306793866054905 Energy: 0.4960010253647874 Energy: 0.517043083848228 Energy: 0.4960010253647874 Energy: 0.5170430838444214 Energy: 0.4960010253647874 Energy: 0.5170430838520345 Energy: 0.5288789665882896 Energy: 0.5459937312472751 Energy: 0.5288789665874436 Energy: 0.5459937312472751 Energy: 0.5288789665874436 Energy: 0.5459937312472751 Energy: 0.48607286298045227 Energy: 0.524891416974592 Energy: 0.48607286298002933 Energy: 0.5248914169737461 Energy: 0.48607286298002933 Energy: 0.524891416974592 minimum gb energy = 0.48607286298002933 eV minimum distance = 2.67303830290506 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.605787327313993 Energy: 0.5551209996949338 Energy: 0.6057873273137232 Energy: 0.5551209996952307 Energy: 0.6057873273128327 Energy: 0.5551209996958243 Energy: 0.6159848573437889 Energy: 0.5114680159436333 Energy: 0.6159848573428984 Energy: 0.5114680159433365 Energy: 0.6159848573437889 Energy: 0.5114680159439301 Energy: 0.5730144019721244 Energy: 0.6159779499421869 Energy: 0.5730144019670784 Energy: 0.61597794994189 Energy: 0.5730144019664848 Energy: 0.61597794994189 Energy: 0.554623439087987 Energy: 0.542287826536597 Energy: 0.5546234390876903 Energy: 0.5422878265360034 Energy: 0.5546234390876903 Energy: 0.5422878265368938 Energy: 0.5620923518385287 Energy: 0.5743747623299496 Energy: 0.562092351837935 Energy: 0.5743747623305431 Energy: 0.562092351838232 Energy: 0.5743747623305431 Energy: 0.568727457511808 Energy: 0.5531913683770893 Energy: 0.5687274575109175 Energy: 0.5531913683770893 Energy: 0.5687274575076524 Energy: 0.5531913683767925 Energy: 0.5469273485763054 Energy: 0.5919739776327226 Energy: 0.5469273485771959 Energy: 0.5919739776330193 Energy: 0.5469273485768991 Energy: 0.5919739776324258 Energy: 0.5681040770124617 Energy: 0.5689336444119278 Energy: 0.5681040770124617 Energy: 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0.5968578751623332 Energy: 0.550893462043179 Energy: 0.5968578751623332 Energy: 0.550893462043476 Energy: 0.5968578751620364 Energy: 0.5508934620437729 Energy: 0.5738392531054827 Energy: 0.5290899396323209 Energy: 0.5738392531069669 Energy: 0.5290899396323209 Energy: 0.5738392531051859 Energy: 0.529089939631727 Energy: 0.5525023198315735 Energy: 0.577288507214118 Energy: 0.5525023198318701 Energy: 0.577288507214118 Energy: 0.552502319832167 Energy: 0.577288507214118 Energy: 0.5381758575708925 Energy: 0.609765651316246 Energy: 0.5381758575717829 Energy: 0.6097656513153555 Energy: 0.5381758575708925 Energy: 0.6097656513141684 Energy: 0.5533872548444153 Energy: 0.5336964214004579 Energy: 0.5533872548438217 Energy: 0.5336964214004579 Energy: 0.5533872548441185 Energy: 0.5336964214004579 Energy: 0.5273050857145353 Energy: 0.5823247053220013 Energy: 0.5273050857136449 Energy: 0.5823247053264536 Energy: 0.5273050857145353 Energy: 0.5823247053270474 Energy: 0.5262821225226332 Energy: 0.5408783493430198 Energy: 0.5262821225169936 Energy: 0.5408783493453944 Energy: 0.526282122512838 Energy: 0.5408783493489561 Energy: 0.5759819106693106 Energy: 0.584401883718606 Energy: 0.5759819106696075 Energy: 0.5844018837189029 Energy: 0.5759819106693106 Energy: 0.5844018837189029 Energy: 0.5761185809017362 Energy: 0.584384249087626 Energy: 0.576118580902033 Energy: 0.5843842490879226 Energy: 0.5761185809011427 Energy: 0.5843842490879226 Energy: 0.5263716684523646 Energy: 0.540882171669195 Energy: 0.5263716684502869 Energy: 0.540882171666227 Energy: 0.5263716684505837 Energy: 0.540882171666227 Energy: 0.5272208179948703 Energy: 0.5828443451167988 Energy: 0.5272208179954639 Energy: 0.5828443452194451 Energy: 0.5272208179954639 Energy: 0.5828443451452667 Energy: 0.5533277604470036 Energy: 0.5336852412187062 Energy: 0.5533277604470036 Energy: 0.5336852412192998 Energy: 0.5533277604475972 Energy: 0.5336852412190031 Energy: 0.538175472492144 Energy: 0.6098139041581018 Energy: 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0.576097271963397 Energy: 0.5272417464185212 Energy: 0.5760972719639905 Energy: 0.5795371102483489 Energy: 0.5169679505307935 Energy: 0.5795371102486457 Energy: 0.516967950529903 Energy: 0.5795371102486457 Energy: 0.5169679505304966 Energy: 0.5262012713428427 Energy: 0.5969272378259167 Energy: 0.5262012713425458 Energy: 0.5969272378259167 Energy: 0.5262012713434362 Energy: 0.5969272378256198 minimum gb energy = 0.5114680159433365 eV minimum distance = 2.66477572024952 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.6628441398484307 Energy: 0.617669423836262 Energy: 0.6628441398496255 Energy: 0.617669423836465 Energy: 0.6628441398476418 Energy: 0.617669423836262 Energy: 0.6125762302101683 Energy: 0.5359380841762821 Energy: 0.6125762302103711 Energy: 0.5359380841776572 Energy: 0.6125762302101683 Energy: 0.5359380841780629 Energy: 0.5913674730867048 Energy: 0.6950819127398462 Energy: 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0.6593697682181935 Energy: 0.6315544412988421 Energy: 0.6593697682177383 Energy: 0.6719119234717086 Energy: 0.6411245969113449 Energy: 0.671919955073871 Energy: 0.6411245969108897 Energy: 0.6719159596855749 Energy: 0.6411245969127103 Energy: 0.6997488738902853 Energy: 0.5955955852547774 Energy: 0.6997488738889199 Energy: 0.5958499159734627 Energy: 0.699748873889375 Energy: 0.5956473495577793 Energy: 0.5959641182814706 Energy: 0.6749293574935967 Energy: 0.5959641182810154 Energy: 0.6749293574935967 Energy: 0.5959641182814706 Energy: 0.6749293574949622 Energy: 0.685013768964694 Energy: 0.6667320971021891 Energy: 0.6850559629316376 Energy: 0.6667320971021891 Energy: 0.6849526940697503 Energy: 0.6667320971026441 Energy: 0.6560581414682894 Energy: 0.6648058864757967 Energy: 0.6560581414687445 Energy: 0.6648058864762518 Energy: 0.6560581414678344 Energy: 0.6648058864753417 Energy: 0.6999387195145145 Energy: 0.702821068899088 Energy: 0.6999387195140593 Energy: 0.7028210688972883 Energy: 0.6999387195149693 Energy: 0.7028210688977433 Energy: 0.6637377810649153 Energy: 0.6186990294913117 Energy: 0.6637377708719225 Energy: 0.6186990294917669 Energy: 0.6637340070652805 Energy: 0.6186990294913117 Energy: 0.64350131738922 Energy: 0.6345849339848786 Energy: 0.6581712610149613 Energy: 0.6345849339848786 Energy: 0.6435364835443724 Energy: 0.6345849339857889 Energy: 0.6561096964156886 Energy: 0.6120532201388508 Energy: 0.6561096964161436 Energy: 0.612065233254799 Energy: 0.6561096964161436 Energy: 0.6121534854984867 Energy: 0.7172723488102924 Energy: 0.7324476483381022 Energy: 0.7172723488102924 Energy: 0.7324476483381022 Energy: 0.7172723488107475 Energy: 0.7324476483385365 Energy: 0.6691196614754626 Energy: 0.6671012258509933 Energy: 0.6689504866610448 Energy: 0.6671012258509933 Energy: 0.6346317360931101 Energy: 0.6671012258509933 minimum gb energy = 0.5945282062197261 eV minimum distance = 2.66822837927151 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7086343218413842 Energy: 0.6701437113542932 Energy: 0.7086343218407948 Energy: 0.6701437113542932 Energy: 0.7086343218413842 Energy: 0.6701437113542932 Energy: 0.6725815884544605 Energy: 0.5884158094156967 Energy: 0.6725815884550498 Energy: 0.5884158094156967 Energy: 0.6725815884538713 Energy: 0.588415809416286 Energy: 0.7198359868813929 Energy: 0.7726753649171428 Energy: 0.7198359868790358 Energy: 0.7726753649177323 Energy: 0.7198359868766789 Energy: 0.7726753649165536 Energy: 0.6786740119067578 Energy: 0.5794657309076368 Energy: 0.6786740119067578 Energy: 0.5795696506521326 Energy: 0.6786740119067578 Energy: 0.5796386029884089 Energy: 0.6441158512943226 Energy: 0.5788070984817376 Energy: 0.6441158512937334 Energy: 0.5790232811206317 Energy: 0.644115851294912 Energy: 0.5788825337508049 Energy: 0.6616615116971473 Energy: 0.6153730486429877 Energy: 0.6616605415536556 Energy: 0.6153730486429877 Energy: 0.6616597492333512 Energy: 0.6153730486429877 Energy: 0.6956357546563532 Energy: 0.637531168610307 Energy: 0.6956357546563532 Energy: 0.6375311686156104 Energy: 0.6956357546569424 Energy: 0.6375311686144319 Energy: 0.6782512043614841 Energy: 0.6190604177469896 Energy: 0.6782512043614841 Energy: 0.6190604177469896 Energy: 0.6782512043597163 Energy: 0.6190604177475789 Energy: 0.6448339233518929 Energy: 0.5889350706276107 Energy: 0.6448339233518929 Energy: 0.5889350706264322 Energy: 0.6448339233518929 Energy: 0.5889350706270214 Energy: 0.547868220725401 Energy: 0.6971242272665786 Energy: 0.5478682207259902 Energy: 0.6971242272665786 Energy: 0.5478682207248117 Energy: 0.6971242272659894 Energy: 0.6954330928021769 Energy: 0.5845671652878434 Energy: 0.6954330928021769 Energy: 0.579163614235063 Energy: 0.6954330928021769 Energy: 0.5792299555253801 Energy: 0.6303542539429228 Energy: 0.6166627269903935 Energy: 0.6303542539429228 Energy: 0.5896797255650463 Energy: 0.6303542539429228 Energy: 0.5896079682639994 Energy: 0.5394777302853135 Energy: 0.5882398646703368 Energy: 0.5395439560957221 Energy: 0.5882398646697475 Energy: 0.5392676747513973 Energy: 0.5882398646703368 Energy: 0.6133919907367226 Energy: 0.58750714415184 Energy: 0.6133919906601722 Energy: 0.5875071441500723 Energy: 0.6133919907208393 Energy: 0.5875071441500723 Energy: 0.614135926706707 Energy: 0.5868527005100066 Energy: 0.6141359267061178 Energy: 0.5868527005094174 Energy: 0.6141359267078854 Energy: 0.5868527005082389 Energy: 0.6424879876531403 Energy: 0.649348914030804 Energy: 0.6424879876543188 Energy: 0.649348914030804 Energy: 0.6424879876519618 Energy: 0.6493489140302146 Energy: 0.5464656852522276 Energy: 0.6729446680019611 Energy: 0.5464656852522276 Energy: 0.6729446680031396 Energy: 0.5464656852516384 Energy: 0.6729446680019611 Energy: 0.6945807340292002 Energy: 0.547675962362188 Energy: 0.6945807340292002 Energy: 0.5476759623627772 Energy: 0.6945807340292002 Energy: 0.5476759623568845 Energy: 0.5467045816430507 Energy: 0.673320298262551 Energy: 0.5467045816436399 Energy: 0.673320298262551 Energy: 0.5467045816424615 Energy: 0.673320298262551 Energy: 0.6419973074578594 Energy: 0.6513275481465793 Energy: 0.6419973074590378 Energy: 0.6513275481418651 Energy: 0.6419973074590378 Energy: 0.6513275481430437 Energy: 0.614404784180371 Energy: 0.5868029891463186 Energy: 0.6144047841791924 Energy: 0.5868029891457293 Energy: 0.6144047841786032 Energy: 0.5868029891463186 Energy: 0.6971532749490795 Energy: 0.696058189865331 Energy: 0.6971532749514365 Energy: 0.696058189865331 Energy: 0.6971532749496687 Energy: 0.696058189865331 Energy: 0.5465895687676322 Energy: 0.58848937838559 Energy: 0.5390057608066504 Energy: 0.5884893783850008 Energy: 0.5393373958108667 Energy: 0.5884893783844116 Energy: 0.629577133112261 Energy: 0.6166098991470154 Energy: 0.6295771331128502 Energy: 0.6118512509473135 Energy: 0.629577133112261 Energy: 0.6191290428013694 minimum gb energy = 0.5390057608066504 eV minimum distance = 2.68162679616849 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.6144225757925521 Energy: 0.6743045635781871 Energy: 0.6144225757925521 Energy: 0.6743045635790204 Energy: 0.6144225757925521 Energy: 0.6743045635781871 Energy: 0.5910130062976386 Energy: 0.5813779403364255 Energy: 0.5910130063042863 Energy: 0.5813779403364255 Energy: 0.5910130063051197 Energy: 0.5813779403364255 Energy: 0.6955309514834269 Energy: 0.7022324555860001 Energy: 0.6955309514842603 Energy: 0.7022324555851667 Energy: 0.6955309514834269 Energy: 0.7022324555851667 Energy: 0.5317519135593215 Energy: 0.5758235252819953 Energy: 0.5317519135584882 Energy: 0.577533421500746 Energy: 0.5317519135593215 Energy: 0.5758905770282637 Energy: 0.6871813716404965 Energy: 0.6328210054421721 Energy: 0.6871813713806076 Energy: 0.6327972247208163 Energy: 0.6871813691615704 Energy: 0.6327826982335352 Energy: 0.5267737025938389 Energy: 0.7052896451033024 Energy: 0.526699126962124 Energy: 0.7052896451033024 Energy: 0.5268675539430943 Energy: 0.7052896451033024 Energy: 0.6370896383153375 Energy: 0.6112720195566471 Energy: 0.6370896383145042 Energy: 0.6112720195566471 Energy: 0.6370896383153375 Energy: 0.6112720195566471 Energy: 0.5319399980870271 Energy: 0.645726931360712 Energy: 0.5319399980861937 Energy: 0.6457269313590452 Energy: 0.5319399980861937 Energy: 0.645726931360712 Energy: 0.5234911403186796 Energy: 0.581183603880127 Energy: 0.5237036950117183 Energy: 0.581183603880127 Energy: 0.524670171263845 Energy: 0.5811836038809602 Energy: 0.6256742156451313 Energy: 0.6409326585467578 Energy: 0.6256742156442979 Energy: 0.6409326585475913 Energy: 0.6256742156442979 Energy: 0.6409326585467578 Energy: 0.6142760318328158 Energy: 0.6403774411683127 Energy: 0.6142760318328158 Energy: 0.6403774411683127 Energy: 0.6142760318328158 Energy: 0.6403774411691461 Energy: 0.6048917519072209 Energy: 0.5803536401028077 Energy: 0.6048917519080542 Energy: 0.5803536401028077 Energy: 0.6048917519072209 Energy: 0.5803536401028077 Energy: 0.5286939854153746 Energy: 0.7028717576364809 Energy: 0.5286939854153746 Energy: 0.7028717576364809 Energy: 0.5286939854145412 Energy: 0.7028717576364809 Energy: 0.626480490236342 Energy: 0.6007697955280266 Energy: 0.626480490236342 Energy: 0.6007614027290337 Energy: 0.626480490236342 Energy: 0.6007680230343393 Energy: 0.5331092485490967 Energy: 0.6648372240165078 Energy: 0.5329395057236773 Energy: 0.6648372240165078 Energy: 0.5335353929099172 Energy: 0.6648372240165078 Energy: 0.5236233795282073 Energy: 0.642064818521817 Energy: 0.5235799610998212 Energy: 0.642064818521817 Energy: 0.523680517445944 Energy: 0.642064818521817 Energy: 0.6260463289749638 Energy: 0.6702220660609951 Energy: 0.6260463289749638 Energy: 0.6702220660609951 Energy: 0.6260463289749638 Energy: 0.6702220660601619 minimum gb energy = 0.5234911403186796 eV minimum distance = 2.60084319570781 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.5572010791954063 Energy: 0.5932606958642559 Energy: 0.5572010791941192 Energy: 0.593260695863934 Energy: 0.5572010791954063 Energy: 0.5932606958642559 Energy: 0.5612294378291093 Energy: 0.5309715134372176 Energy: 0.5612294378300746 Energy: 0.5309715134394702 Energy: 0.561229437829431 Energy: 0.5309715134343214 Energy: 0.5279696706797214 Energy: 0.6258793858228233 Energy: 0.529273287257766 Energy: 0.6258793858228233 Energy: 0.5292796291921278 Energy: 0.6258793858225015 Energy: 0.5071525051524056 Energy: 0.6525367257154626 Energy: 0.507152505153371 Energy: 0.652536725714819 Energy: 0.5071525051543364 Energy: 0.6525367257177151 Energy: 0.5694647886832589 Energy: 0.5681842851205003 Energy: 0.5694647886839025 Energy: 0.5681842851205003 Energy: 0.5694647887183358 Energy: 0.5681842851205003 Energy: 0.6059722709292792 Energy: 0.6029677131771063 Energy: 0.6059722709180161 Energy: 0.6029677131767845 Energy: 0.6059722709176941 Energy: 0.6029677131767845 Energy: 0.5619532443789859 Energy: 0.6144389015774369 Energy: 0.561953244380273 Energy: 0.6144389015787242 Energy: 0.5619532443799512 Energy: 0.6144389015784023 Energy: 0.6048953960405791 Energy: 0.6032789947395694 Energy: 0.6048953960412227 Energy: 0.6032789947437529 Energy: 0.6048953960418663 Energy: 0.6032789947443965 Energy: 0.6297555556687503 Energy: 0.5925346592757585 Energy: 0.6297555556668196 Energy: 0.5925346592754367 Energy: 0.6297555556690722 Energy: 0.5925346592751148 Energy: 0.556855419674567 Energy: 0.5538282732914497 Energy: 0.5568554196736015 Energy: 0.5538282732914497 Energy: 0.5568554196739233 Energy: 0.5538282732917715 Energy: 0.5069253695565997 Energy: 0.5882053470973693 Energy: 0.506925369556278 Energy: 0.5882053470970475 Energy: 0.506925369556278 Energy: 0.588205347098949 Energy: 0.6758740938801477 Energy: 0.5453593644536973 Energy: 0.6758740938785386 Energy: 0.5453593644530536 Energy: 0.6758740938785386 Energy: 0.5453593644530536 Energy: 0.604042916599922 Energy: 0.5628189254550163 Energy: 0.6040429165986348 Energy: 0.5628189254556599 Energy: 0.6040429165996003 Energy: 0.5628189254553382 Energy: 0.5580853775682166 Energy: 0.5978846276984593 Energy: 0.5580853775675733 Energy: 0.5978846276984593 Energy: 0.5580853775675733 Energy: 0.5978846276974938 Energy: 0.5665504105749406 Energy: 0.5455094575786601 Energy: 0.5665504062704249 Energy: 0.5455094575799472 Energy: 0.5665504105430819 Energy: 0.5455094575751201 Energy: 0.559460510088222 Energy: 0.6153495329791008 Energy: 0.5594605100866129 Energy: 0.6153495329778135 Energy: 0.5594605100872565 Energy: 0.6153495329781353 Energy: 0.6044919101740637 Energy: 0.6478950431199562 Energy: 0.6044919101747074 Energy: 0.6478950431196344 Energy: 0.6044919101750291 Energy: 0.6478950431196344 Energy: 0.6429017461091152 Energy: 0.6233710062378207 Energy: 0.6429017343728828 Energy: 0.6233710062371771 Energy: 0.6429017207115145 Energy: 0.6233710062374989 Energy: 0.6289892900065084 Energy: 0.5971200602666497 Energy: 0.6289892900113356 Energy: 0.5971200602669714 Energy: 0.6289892900071521 Energy: 0.5971200602666497 Energy: 0.6041066789878655 Energy: 0.550911468416135 Energy: 0.6041066789881874 Energy: 0.550911468416135 Energy: 0.6041066789869002 Energy: 0.550911468416457 Energy: 0.6289198820742362 Energy: 0.5964423630375267 Energy: 0.6289198820742362 Energy: 0.596442363036883 Energy: 0.6289198820771325 Energy: 0.5964423630378485 Energy: 0.6426617227338643 Energy: 0.623375939203454 Energy: 0.6426616818413579 Energy: 0.6233759392047411 Energy: 0.6426618086480084 Energy: 0.6233759392037759 Energy: 0.6043359238216668 Energy: 0.6479532719788142 Energy: 0.6043359238216668 Energy: 0.6479532719788142 Energy: 0.6043359238216668 Energy: 0.6479532719784925 Energy: 0.5594451343409003 Energy: 0.6275867222310195 Energy: 0.5594451343341424 Energy: 0.6275867222287669 Energy: 0.5594451343402568 Energy: 0.6275867222306978 Energy: 0.566530025210112 Energy: 0.5453498594212064 Energy: 0.5665300251567212 Energy: 0.5453498594212064 Energy: 0.5665300251789259 Energy: 0.5453498594199191 Energy: 0.5581043159034462 Energy: 0.5980163486503308 Energy: 0.5581043159040898 Energy: 0.5980163486503308 Energy: 0.5581043159040898 Energy: 0.5980163486500091 Energy: 0.6040366267696371 Energy: 0.5628557957210376 Energy: 0.6040366267702808 Energy: 0.5628557957216813 Energy: 0.6040366267706025 Energy: 0.5628557957216813 Energy: 0.6758925875604641 Energy: 0.5454184880758937 Energy: 0.6758925875598206 Energy: 0.545418488072032 Energy: 0.675892587560786 Energy: 0.5454184880746065 Energy: 0.5069300460052992 Energy: 0.5882435673189691 Energy: 0.5069300460069082 Energy: 0.5882435673147857 Energy: 0.506930046005621 Energy: 0.58824356731736 Energy: 0.55696892314534 Energy: 0.5538020298683315 Energy: 0.5569689231456617 Energy: 0.5538020298686533 Energy: 0.55696892314534 Energy: 0.5538020298686533 Energy: 0.6296805327810481 Energy: 0.5924847669028429 Energy: 0.6296805327787954 Energy: 0.5924847669018775 Energy: 0.6296805327816918 Energy: 0.5924847669015557 Energy: 0.6043368156955904 Energy: 0.6033883043018078 Energy: 0.6043368156901198 Energy: 0.6033883043030951 Energy: 0.604336815691085 Energy: 0.6033883043008423 Energy: 0.5620999366714569 Energy: 0.6150520309224726 Energy: 0.5620999366717786 Energy: 0.615052030911853 Energy: 0.5620999366714569 Energy: 0.6150520309131402 Energy: 0.6059736401229606 Energy: 0.5708307628827288 Energy: 0.6059736401345457 Energy: 0.5708307628827288 Energy: 0.6059736401194208 Energy: 0.5708307628827288 Energy: 0.5693156591869558 Energy: 0.5681505254613097 Energy: 0.5693156591853469 Energy: 0.5681505254600224 Energy: 0.5693156591882431 Energy: 0.5681505254606661 Energy: 0.5071732034668673 Energy: 0.6541216132303144 Energy: 0.5071732034652582 Energy: 0.6541216132251655 Energy: 0.5071732034668673 Energy: 0.6541216132293489 Energy: 0.5285674928220621 Energy: 0.6257798786201626 Energy: 0.5285945832587791 Energy: 0.6257798786204845 Energy: 0.5286725015414995 Energy: 0.6257798786204845 Energy: 0.5610766269624692 Energy: 0.56806478078327 Energy: 0.5610766269640782 Energy: 0.5680647807839138 Energy: 0.5610766269634346 Energy: 0.5680647807835919 Energy: 0.5572010791970153 Energy: 0.5932606958636122 Energy: 0.5572010791963717 Energy: 0.593260695863934 Energy: 0.5572010791979808 Energy: 0.593260695863934 Energy: 0.5612294378284656 Energy: 0.5309715134375395 Energy: 0.5612294378303965 Energy: 0.5309715134356086 Energy: 0.5612294378287874 Energy: 0.5309715134356086 Energy: 0.5287189841776191 Energy: 0.6258793858208924 Energy: 0.5288411699175267 Energy: 0.6258793858208924 Energy: 0.5293992678487619 Energy: 0.6258793858215361 Energy: 0.5071525051553019 Energy: 0.6398743014435839 Energy: 0.5071525051565889 Energy: 0.6398743014416531 Energy: 0.5071525051562673 Energy: 0.6398743014429404 Energy: 0.5694647886906604 Energy: 0.5681842851205003 Energy: 0.5694647886916259 Energy: 0.5681842851198567 Energy: 0.5694647886871205 Energy: 0.5681842851208222 minimum gb energy = 0.506925369556278 eV minimum distance = 2.63326371244434 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5552430641840276 Energy: 0.5430226672036051 Energy: 0.5552430641835036 Energy: 0.5430226672030811 Energy: 0.5552430641824557 Energy: 0.5430226672030811 Energy: 0.5371838658170106 Energy: 0.5323410354220988 Energy: 0.5371838658159626 Energy: 0.5323410354220988 Energy: 0.5371838658170106 Energy: 0.5323410354226228 Energy: 0.5694263619257258 Energy: 0.5779446433506567 Energy: 0.5694263619246779 Energy: 0.5779446433490847 Energy: 0.5694263618607763 Energy: 0.5779446433490847 Energy: 0.5471410239251719 Energy: 0.6006651232227486 Energy: 0.54714102392622 Energy: 0.6006651232227486 Energy: 0.5471410239236001 Energy: 0.6006651232232726 Energy: 0.5344545910804831 Energy: 0.50433551460532 Energy: 0.5344545910820551 Energy: 0.504335514605844 Energy: 0.5344545910783872 Energy: 0.504335514605844 Energy: 0.5702925449271534 Energy: 0.5362634927138996 Energy: 0.5702925449245336 Energy: 0.5362634927138996 Energy: 0.5702925449240096 Energy: 0.5362634927138996 Energy: 0.5159571518879466 Energy: 0.5832958586892043 Energy: 0.5159571518874226 Energy: 0.5832958586897282 Energy: 0.5159571518874226 Energy: 0.5832958586892043 Energy: 0.547616463656589 Energy: 0.6065208706901682 Energy: 0.547616463654493 Energy: 0.6065208706901682 Energy: 0.5476164636550171 Energy: 0.6065208706912162 Energy: 0.5510437102432549 Energy: 0.534407349497903 Energy: 0.551043710243779 Energy: 0.5344073494984272 Energy: 0.5510437102427309 Energy: 0.5344073494984272 Energy: 0.5458665068283695 Energy: 0.5605489802011743 Energy: 0.5458665068288935 Energy: 0.5605489802011743 Energy: 0.5458665068294174 Energy: 0.5605489802006504 Energy: 0.5113678740581934 Energy: 0.5691590067310568 Energy: 0.5113678740581934 Energy: 0.5691590067289609 Energy: 0.5113678740581934 Energy: 0.5691590067342007 Energy: 0.5744429347206726 Energy: 0.5163937813521843 Energy: 0.5744429347186005 Energy: 0.5163937813443247 Energy: 0.5744429347206726 Energy: 0.5163937813527084 Energy: 0.5430269108324941 Energy: 0.5791405062833674 Energy: 0.5430269108319701 Energy: 0.5791405062838916 Energy: 0.543026910833018 Energy: 0.5791405062844154 Energy: 0.5213683532076886 Energy: 0.5710272060931381 Energy: 0.5213683532061167 Energy: 0.57102720609209 Energy: 0.5213683532076886 Energy: 0.5710272060915661 Energy: 0.608566535161687 Energy: 0.5474572214596441 Energy: 0.608566535163259 Energy: 0.5474572214606921 Energy: 0.608566535163259 Energy: 0.5474572214601681 Energy: 0.5413992597603897 Energy: 0.5369033941306323 Energy: 0.5413992597614378 Energy: 0.5369033941306323 Energy: 0.5413992597603897 Energy: 0.5369033941316802 Energy: 0.5603879320453601 Energy: 0.6024878967526064 Energy: 0.5603879320453601 Energy: 0.6024878967526064 Energy: 0.5603879320458841 Energy: 0.6024878967526064 Energy: 0.5163343631410676 Energy: 0.566930523343321 Energy: 0.5161071782910125 Energy: 0.5669305233443689 Energy: 0.4873264961634494 Energy: 0.5669305233443689 Energy: 0.5282011394900956 Energy: 0.5644109825491732 Energy: 0.5282011394906195 Energy: 0.5644109825491732 Energy: 0.5282011394900956 Energy: 0.564410982547625 Energy: 0.5214626927742838 Energy: 0.5972112874338253 Energy: 0.5214626927737599 Energy: 0.5972112874333012 Energy: 0.5214626927742838 Energy: 0.5972112874333012 Energy: 0.5562326727171956 Energy: 0.5704646429809008 Energy: 0.5562326727171956 Energy: 0.5704646429814249 Energy: 0.5562326727177195 Energy: 0.5704646429824727 Energy: 0.5114906944315506 Energy: 0.5653484978905325 Energy: 0.5114906944310267 Energy: 0.5653484978748369 Energy: 0.5114906944310267 Energy: 0.5653484978727411 Energy: 0.5629005823440949 Energy: 0.5755956432422474 Energy: 0.5629005823440949 Energy: 0.5755956432417235 Energy: 0.562900582344619 Energy: 0.5755956432422474 Energy: 0.5730611186147725 Energy: 0.5646317205734422 Energy: 0.5730611186142485 Energy: 0.5646317205734422 Energy: 0.5730611186147725 Energy: 0.5646317205739663 Energy: 0.5648822898214629 Energy: 0.6720130466850406 Energy: 0.5648822895648089 Energy: 0.6720130466850406 Energy: 0.5648822889232213 Energy: 0.6720130466850406 Energy: 0.5405459656801533 Energy: 0.5748376144611319 Energy: 0.5405459656785814 Energy: 0.5748376144611319 Energy: 0.5405459656796292 Energy: 0.5748376144611319 Energy: 0.5180925629211085 Energy: 0.5644404100775551 Energy: 0.5180925629216324 Energy: 0.564440410078603 Energy: 0.5180925629216324 Energy: 0.5644404100775551 minimum gb energy = 0.4873264961634494 eV minimum distance = 2.6205835466164 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5046599799054157 Energy: 0.4744720309309357 Energy: 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Energy: 0.44640451270153486 Energy: 0.45043490017879895 Energy: 0.4574202620119263 Energy: 0.499812108654004 Energy: 0.4574202620119263 Energy: 0.49981210865438586 Energy: 0.457420262012308 Energy: 0.499812108654004 Energy: 0.4946436353456988 Energy: 0.4557579022054368 Energy: 0.4946436353464623 Energy: 0.455757902203528 Energy: 0.49464363534608047 Energy: 0.45575790220505513 Energy: 0.42451318518193853 Energy: 0.4534350591229425 Energy: 0.42451318518155684 Energy: 0.45343505912370613 Energy: 0.424513185181175 Energy: 0.45343505912370613 Energy: 0.45727423899114994 Energy: 0.47557260872423573 Energy: 0.45727423899114994 Energy: 0.47557260872461754 Energy: 0.45727423899153175 Energy: 0.47557260872423573 Energy: 0.466641459774952 Energy: 0.45005235642736824 Energy: 0.4666414597757156 Energy: 0.45005235642736824 Energy: 0.4666414597757156 Energy: 0.45005235642736824 Energy: 0.4272473004088937 Energy: 0.45365345267765395 Energy: 0.42724730040927544 Energy: 0.4536534526807081 Energy: 0.42724730040851194 Energy: 0.4536534526772722 Energy: 0.45774682234372766 Energy: 0.4617877962888233 Energy: 0.45774682234372766 Energy: 0.4617877962888233 Energy: 0.4577468223433632 Energy: 0.4617877962888233 Energy: 0.45117974669843464 Energy: 0.45080708789220425 Energy: 0.4511797466988164 Energy: 0.45080708789029533 Energy: 0.45117974669958 Energy: 0.45080708789144064 Energy: 0.5180430901291392 Energy: 0.5072283014847367 Energy: 0.5180430901287574 Energy: 0.507228301484355 Energy: 0.5180430901295209 Energy: 0.5072283014847367 Energy: 0.47464341675049004 Energy: 0.44728669845204805 Energy: 0.47464341675087185 Energy: 0.4472866984512846 Energy: 0.47464341675049004 Energy: 0.44728669845166635 Energy: 0.4144345361946756 Energy: 0.45119564202977114 Energy: 0.4144345361946756 Energy: 0.4511956420290076 Energy: 0.4144345361942938 Energy: 0.4511956420290076 minimum gb energy = 0.4144345361942938 eV minimum distance = 2.58807122409335 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.006196837167931158 Energy: 0.032194937586098905 Energy: 0.006196837167931158 Energy: 0.03219493758597138 Energy: 0.006196837167931158 Energy: 0.03219493758582792 Energy: 0.4037019207232187 Energy: 0.0067185429087198165 Energy: 0.4037019207230752 Energy: 0.0067185429087198165 Energy: 0.4037019207232187 Energy: 0.0067185429087198165 Energy: 0.4036987955065122 Energy: 0.007061412262998199 Energy: 0.4036987955066557 Energy: 0.007061412265803644 Energy: 0.40369879550679905 Energy: 0.0070614122646878415 Energy: 0.006196837167660177 Energy: 0.032194937585684466 Energy: 0.006196837167787698 Energy: 0.032194937585684466 Energy: 0.006196837167787698 Energy: 0.03219493758582792 Energy: 0.40370192072363315 Energy: 0.006718542906201291 Energy: 0.40370192072377664 Energy: 0.006718542906201291 Energy: 0.40370192072377664 Energy: 0.006718542905069548 Energy: 0.40369879550568327 Energy: 0.00706141226369956 Energy: 0.4036987955060977 Energy: 0.007061412263141659 Energy: 0.4036987955060977 Energy: 0.007061412263986481 Energy: 0.006196837167931158 Energy: 0.03219493758597138 Energy: 0.006196837167931158 Energy: 0.03219493758582792 Energy: 0.006196837167660177 Energy: 0.03219493758597138 Energy: 0.4037019207230752 Energy: 0.006718542902407562 Energy: 0.40370192072336214 Energy: 0.006718542905499929 Energy: 0.4037019207234897 Energy: 0.006718542903953746 Energy: 0.4036987955055399 Energy: 0.007061412261595475 Energy: 0.40369879550568327 Energy: 0.007061412257674227 Energy: 0.40369879550568327 Energy: 0.0070614122618823955 Energy: 0.006196837167931158 Energy: 0.03219493758597138 Energy: 0.006196837168074618 Energy: 0.032194937586098905 Energy: 0.006196837167787698 Energy: 0.03219493758582792 minimum gb energy = 0.006196837167660177 eV minimum distance = 2.84546427379365 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.37004748581660074 Energy: 0.3950288778682541 Energy: 0.37004748581660074 Energy: 0.3950288778682541 Energy: 0.37004748581742125 Energy: 0.3950288778669947 Energy: 0.3213018086284355 Energy: 0.3549360056081484 Energy: 0.3213018086280158 Energy: 0.3549360056081484 Energy: 0.321301808627596 Energy: 0.35493600560772864 Energy: 0.38228598717990303 Energy: 0.35676027448312086 Energy: 0.3822859871807426 Energy: 0.35676027448312086 Energy: 0.3822859871807426 Energy: 0.3567602744822813 Energy: 0.3541012963001873 Energy: 0.3897571909204493 Energy: 0.354101296300607 Energy: 0.3897571909204493 Energy: 0.3541012963001873 Energy: 0.38975719092002953 Energy: 0.33659507696276164 Energy: 0.35447929111398857 Energy: 0.33659507696110164 Energy: 0.35447929111440835 Energy: 0.33659507696276164 Energy: 0.35447929111398857 Energy: 0.38269383981535915 Energy: 0.3635692896795161 Energy: 0.38269383981535915 Energy: 0.3635692896795161 Energy: 0.38269383981577887 Energy: 0.3635692896795161 Energy: 0.36338584409836205 Energy: 0.40562454402033377 Energy: 0.36338584409752256 Energy: 0.4056245440207536 Energy: 0.36338584409836205 Energy: 0.4056245440211733 Energy: 0.33460378814005354 Energy: 0.3538363005348528 Energy: 0.33460378813921393 Energy: 0.3538363005352726 Energy: 0.33460378813921393 Energy: 0.3538363005348528 Energy: 0.39053467817088233 Energy: 0.36974965817127897 Energy: 0.3905346781696231 Energy: 0.36974965817127897 Energy: 0.39053467817004284 Energy: 0.36974965817169875 Energy: 0.3639069510075591 Energy: 0.3707822550887629 Energy: 0.36390695100797893 Energy: 0.3707822550875035 Energy: 0.36390695100797893 Energy: 0.3707822550883431 Energy: 0.3578386543762023 Energy: 0.35320347273598485 Energy: 0.3578386543749431 Energy: 0.35320347273598485 Energy: 0.3578386543745233 Energy: 0.35320347273556507 Energy: 0.39889409619844685 Energy: 0.39890529741830427 Energy: 0.39889409619802707 Energy: 0.39890529741830427 Energy: 0.39889409619844685 Energy: 0.39890529741830427 Energy: 0.35350654272546256 Energy: 0.34902255435999846 Energy: 0.35350654272588233 Energy: 0.3490225543604182 Energy: 0.35350654272546256 Energy: 0.34902255435999846 Energy: 0.4232934342131169 Energy: 0.3394437099481847 Energy: 0.4232934342131169 Energy: 0.33944370994860446 Energy: 0.4232934342131169 Energy: 0.3394437099481847 Energy: 0.3690343874205227 Energy: 0.3848522778461183 Energy: 0.3690343874209425 Energy: 0.3848522778461183 Energy: 0.3690343874209425 Energy: 0.3848522778452788 Energy: 0.35358618673874814 Energy: 0.3409318666170026 Energy: 0.35358618673874814 Energy: 0.3409318666170026 Energy: 0.35358618673874814 Energy: 0.3409318666170026 Energy: 0.3794072451993883 Energy: 0.3839656640385347 Energy: 0.37940724519854874 Energy: 0.38396566403811494 Energy: 0.37940724519896857 Energy: 0.3839656640385347 Energy: 0.3743589408063018 Energy: 0.36258332129651927 Energy: 0.3743589408063018 Energy: 0.3625833212960995 Energy: 0.3743589408063018 Energy: 0.3625833212960995 Energy: 0.35403619879535647 Energy: 0.33027939017721075 Energy: 0.35403619879619597 Energy: 0.33027939017721075 Energy: 0.35403619879535647 Energy: 0.33027939017721075 Energy: 0.3665920178542998 Energy: 0.3848751480433211 Energy: 0.36659201785388007 Energy: 0.3848751480441607 Energy: 0.3665920178542998 Energy: 0.3848751480433211 Energy: 0.3727612545044057 Energy: 0.2658437652339606 Energy: 0.3727612545039859 Energy: 0.2658437652343804 Energy: 0.3727612545044057 Energy: 0.2658437652343804 Energy: 0.3403507028300495 Energy: 0.3610717076545764 Energy: 0.34035070283046925 Energy: 0.3610717076545764 Energy: 0.3403507028308891 Energy: 0.3610717076545764 Energy: 0.38067898029115144 Energy: 0.33800170321957707 Energy: 0.3806789802907508 Energy: 0.33800170321957707 Energy: 0.3806789802907508 Energy: 0.33800170321957707 Energy: 0.37465635973739997 Energy: 0.2660907564957191 Energy: 0.37465635973739997 Energy: 0.2660907564961389 Energy: 0.37465635973823946 Energy: 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Energy: 0.4001943200589708 Energy: 0.3915756558982382 Energy: 0.40019432006148936 Energy: 0.3915756558982382 Energy: 0.4001943200589708 Energy: 0.3915756558982382 Energy: 0.3693281065021013 Energy: 0.35985849645150153 Energy: 0.3693281065021013 Energy: 0.35985849645150153 Energy: 0.36932810650252107 Energy: 0.35985849645150153 Energy: 0.369509763410545 Energy: 0.3895961049866171 Energy: 0.36950976341012515 Energy: 0.3895961049866171 Energy: 0.36950976341012515 Energy: 0.3895961049866171 minimum gb energy = 0.2658437652339606 eV minimum distance = 2.67080946637961 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.48420535462550046 Energy: 0.48124550810417266 Energy: 0.48420535462550046 Energy: 0.48124550810477074 Energy: 0.48420535462609854 Energy: 0.48124550810417266 Energy: 0.47654536899419153 Energy: 0.4780697165618715 Energy: 0.47654536899478966 Energy: 0.4780697165618715 Energy: 0.4765453689953878 Energy: 0.4780697165612734 Energy: 0.5042736078853174 Energy: 0.47729708026311235 Energy: 0.5042736078853174 Energy: 0.4772970802625142 Energy: 0.5042736078847193 Energy: 0.4772970802625142 Energy: 0.48110764434659914 Energy: 0.5196830386890989 Energy: 0.48110764434839354 Energy: 0.5196830386890989 Energy: 0.4811076443471972 Energy: 0.5196830386890989 Energy: 0.4822391033219135 Energy: 0.4807383593870605 Energy: 0.4822391033225117 Energy: 0.4807383593876586 Energy: 0.4822391033231098 Energy: 0.4807383593876586 Energy: 0.5075443424075488 Energy: 0.47943081684257605 Energy: 0.5075443424081469 Energy: 0.4794308168419779 Energy: 0.5075443424075488 Energy: 0.4794308168419779 Energy: 0.47894709269829194 Energy: 0.501319676244705 Energy: 0.4789470926988901 Energy: 0.5013196762453032 Energy: 0.47894709269829194 Energy: 0.501319676244705 Energy: 0.5008386392248148 Energy: 0.4829702266648244 Energy: 0.5008386392236185 Energy: 0.48297022666303 Energy: 0.5008386392236185 Energy: 0.4829702266636282 Energy: 0.5202452604456937 Energy: 0.5230479265792621 Energy: 0.5202452604450957 Energy: 0.5230479265798603 Energy: 0.5202452604450957 Energy: 0.5230479265792621 Energy: 0.47745018598295846 Energy: 0.47431153360780925 Energy: 0.47745018598295846 Energy: 0.47431153360780925 Energy: 0.47745018598295846 Energy: 0.47431153360780925 Energy: 0.504351792272994 Energy: 0.4838001816433236 Energy: 0.504351792272994 Energy: 0.4838001816433236 Energy: 0.5043517922723958 Energy: 0.4838001816427255 Energy: 0.4775234647774376 Energy: 0.495652117863635 Energy: 0.4775234647768395 Energy: 0.495652117863635 Energy: 0.4775234647774376 Energy: 0.49565211786306407 Energy: 0.47701590795616056 Energy: 0.4782427049385605 Energy: 0.4770159079567587 Energy: 0.4782427049385605 Energy: 0.47701590795616056 Energy: 0.47824270493915866 Energy: 0.49633909112346686 Energy: 0.4691350458789956 Energy: 0.4963390911228688 Energy: 0.4691350458789956 Energy: 0.4963390911228688 Energy: 0.46913504587959376 Energy: 0.46988647094759795 Energy: 0.4742538964934566 Energy: 0.46988647094759795 Energy: 0.4742538964928585 Energy: 0.4698864709469998 Energy: 0.4742538964934566 Energy: 0.4789320574272655 Energy: 0.4826812493546269 Energy: 0.4789320574266674 Energy: 0.4826812493546269 Energy: 0.4789320574266674 Energy: 0.4826812493546269 Energy: 0.5153995774010602 Energy: 0.47980093852405425 Energy: 0.515399577399864 Energy: 0.47980093852405425 Energy: 0.5153995774004622 Energy: 0.47980093852405425 Energy: 0.46850627236691234 Energy: 0.4728705561225054 Energy: 0.4685062723663142 Energy: 0.4728705561213091 Energy: 0.46850627236691234 Energy: 0.4728705561213091 Energy: 0.4783783037043654 Energy: 0.5050188725444126 Energy: 0.47837830370556167 Energy: 0.5050188725444126 Energy: 0.4783783037049636 Energy: 0.5050188725450107 Energy: 0.4733108047952904 Energy: 0.478463007813905 Energy: 0.4733108047934961 Energy: 0.478463007813905 Energy: 0.4733108047946923 Energy: 0.478463007813905 Energy: 0.4955335417894554 Energy: 0.487551331911029 Energy: 0.4955335417894554 Energy: 0.487551331911029 Energy: 0.49553354178885733 Energy: 0.487551331911029 Energy: 0.4840887720888701 Energy: 0.5235821108247137 Energy: 0.4840887720888701 Energy: 0.5235821108241155 Energy: 0.4840887720888701 Energy: 0.5235821108235175 Energy: 0.4836909231986709 Energy: 0.4772085328305877 Energy: 0.4836909231986709 Energy: 0.4772085328311858 Energy: 0.4836909231986709 Energy: 0.4772085328311858 minimum gb energy = 0.4685062723663142 eV minimum distance = 2.68124156426619 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5574609608019292 Energy: 0.5754725268735447 Energy: 0.5574609608030676 Energy: 0.5754725268731652 Energy: 0.5574609608023088 Energy: 0.5754725268731652 Energy: 0.5559894575786233 Energy: 0.5459966380813079 Energy: 0.5559894575805204 Energy: 0.5459966380813079 Energy: 0.5559894575786233 Energy: 0.5459966380816874 Energy: 0.5720904458759343 Energy: 0.5535864159797358 Energy: 0.5720904458766931 Energy: 0.5535864159797358 Energy: 0.5720904458759343 Energy: 0.5535864159801153 Energy: 0.556374890275997 Energy: 0.6110246125670282 Energy: 0.556374890275997 Energy: 0.6110246125670282 Energy: 0.556374890275997 Energy: 0.6110246125674077 Energy: 0.5808040338773434 Energy: 0.5453706066016571 Energy: 0.5808040338773434 Energy: 0.5453706066020366 Energy: 0.5808040338773434 Energy: 0.5453706066016571 Energy: 0.5973962267029171 Energy: 0.6158057178851728 Energy: 0.5973962267040555 Energy: 0.6158057178851728 Energy: 0.5973962267044348 Energy: 0.6158057178847933 Energy: 0.5529686761719776 Energy: 0.5918175527065266 Energy: 0.5529686761723572 Energy: 0.5918175527069061 Energy: 0.5529686761723572 Energy: 0.5918175527069061 Energy: 0.6051504426019023 Energy: 0.5755767518739171 Energy: 0.6051504426015227 Energy: 0.5755767518739171 Energy: 0.6051504426026612 Energy: 0.5755767518739171 Energy: 0.5656272854303387 Energy: 0.5887528360668788 Energy: 0.5656272854299593 Energy: 0.5887528360668788 Energy: 0.5656272854303387 Energy: 0.5887528360664993 Energy: 0.5450200315008068 Energy: 0.5836006271907375 Energy: 0.5450200315008068 Energy: 0.583600627190358 Energy: 0.5450200315015656 Energy: 0.5836006271907375 Energy: 0.5970547868143358 Energy: 0.5451592779418127 Energy: 0.5970547868131975 Energy: 0.5451592779418127 Energy: 0.5970547868135768 Energy: 0.5451592779418127 Energy: 0.55523097893049 Energy: 0.5684357348074847 Energy: 0.5552309789297311 Energy: 0.5684357348071052 Energy: 0.5552309789301104 Energy: 0.5684357348074847 Energy: 0.5438652580748947 Energy: 0.5580001287334573 Energy: 0.5438652580737564 Energy: 0.5580001287334573 Energy: 0.5438652580741357 Energy: 0.5580001287330778 Energy: 0.563404591485942 Energy: 0.5460503419573375 Energy: 0.5634045914870803 Energy: 0.546050341956958 Energy: 0.563404591485942 Energy: 0.546050341956958 Energy: 0.5492067362508094 Energy: 0.5637680625114582 Energy: 0.5492067362511889 Energy: 0.5637680625114582 Energy: 0.5492067362508094 Energy: 0.5637680625118375 Energy: 0.5561268170300818 Energy: 0.580889129599088 Energy: 0.556126817029323 Energy: 0.580889129599088 Energy: 0.5561268170289434 Energy: 0.580889129599088 Energy: 0.5830340825341321 Energy: 0.5540321899518692 Energy: 0.5830340825345114 Energy: 0.5540321899522486 Energy: 0.5830340825337527 Energy: 0.5540321899522486 Energy: 0.5775074783780794 Energy: 0.6009673818421885 Energy: 0.5775074783761822 Energy: 0.6009673818421885 Energy: 0.5775074783780794 Energy: 0.6009673818429473 Energy: 0.5576466312193774 Energy: 0.5892231730919422 Energy: 0.5576466312193774 Energy: 0.5892231730919422 Energy: 0.5576466312193774 Energy: 0.5892231730915627 Energy: 0.600281430367767 Energy: 0.5459995374722342 Energy: 0.6002814303681464 Energy: 0.5459995374722342 Energy: 0.600281430367767 Energy: 0.5459995374726138 Energy: 0.5548936807348079 Energy: 0.5876809003913995 Energy: 0.5548936807355668 Energy: 0.5876809003917789 Energy: 0.5548936807355668 Energy: 0.5876809003917789 Energy: 0.5484182977520211 Energy: 0.5723588561991697 Energy: 0.5484182977524005 Energy: 0.5723588561991697 Energy: 0.5484182977508827 Energy: 0.5723588561991697 Energy: 0.614020926627033 Energy: 0.5452818599780433 Energy: 0.614020926627033 Energy: 0.5452818599780433 Energy: 0.614020926627033 Energy: 0.5452818599776639 Energy: 0.5456226878893493 Energy: 0.5643485693548916 Energy: 0.5456226878901081 Energy: 0.5643485693545122 Energy: 0.5456226878901081 Energy: 0.5643485693545122 Energy: 0.5536596666255577 Energy: 0.5647119080852409 Energy: 0.5536596666263166 Energy: 0.5647119080848614 Energy: 0.5536596666259371 Energy: 0.5647119080848614 Energy: 0.5982723541076826 Energy: 0.5610917561704358 Energy: 0.5982723541069238 Energy: 0.5610917561704358 Energy: 0.5982723541023706 Energy: 0.5610917561700564 Energy: 0.5531979885992513 Energy: 0.5724552965355928 Energy: 0.5531979885984925 Energy: 0.5724552965359723 Energy: 0.5531979885988717 Energy: 0.5724552965359723 Energy: 0.5543683531555759 Energy: 0.6248572988046641 Energy: 0.5543683531551964 Energy: 0.6248572988042846 Energy: 0.5543683531555759 Energy: 0.6248572988042846 Energy: 0.6043810142769369 Energy: 0.5455945859530604 Energy: 0.6043810142769369 Energy: 0.5455945859530604 Energy: 0.6043810142773163 Energy: 0.545594585952681 Energy: 0.5559571304909846 Energy: 0.5996414866685912 Energy: 0.5559571304917434 Energy: 0.5996414866674529 Energy: 0.555957130491364 Energy: 0.5996414866682118 Energy: 0.6050258385805156 Energy: 0.6081598217020746 Energy: 0.6050258385793773 Energy: 0.6081598217016952 Energy: 0.605025838580136 Energy: 0.6081598217016952 Energy: 0.5802922818148185 Energy: 0.5460652186956213 Energy: 0.5802922818155773 Energy: 0.5460652186956213 Energy: 0.5802922818136801 Energy: 0.5460652186956213 Energy: 0.5574105934123694 Energy: 0.5804544119236212 Energy: 0.5574105934119901 Energy: 0.5804544119228624 Energy: 0.5574105934123694 Energy: 0.5804544119228624 Energy: 0.5505926599256976 Energy: 0.5464530143806202 Energy: 0.5505926599268359 Energy: 0.5464530143806202 Energy: 0.5505926599264565 Energy: 0.5464530143802407 Energy: 0.564628273173909 Energy: 0.5541973611372303 Energy: 0.5646282731742882 Energy: 0.5541973611372303 Energy: 0.564628273173909 Energy: 0.5541973611368508 Energy: 0.544271544204241 Energy: 0.5528488947812253 Energy: 0.5442715442038615 Energy: 0.5528488947812253 Energy: 0.544271544204241 Energy: 0.5528488947812253 Energy: 0.5576743236768659 Energy: 0.5560453229174404 Energy: 0.5576743236764863 Energy: 0.5560453229178199 Energy: 0.5576743236772453 Energy: 0.5560453229178199 minimum gb energy = 0.5438652580737564 eV minimum distance = 2.64111804510871 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.6919161741250002 Energy: 0.698155071314524 Energy: 0.6919161741250002 Energy: 0.698155071314524 Energy: 0.6919161741250002 Energy: 0.698155071314524 Energy: 0.7114184469501752 Energy: 0.6920770496565246 Energy: 0.7114184469491392 Energy: 0.6920770496565246 Energy: 0.7114184469491392 Energy: 0.6920770496565246 Energy: 0.7437135399185946 Energy: 0.6893286024531282 Energy: 0.7437135399185946 Energy: 0.6893286024531282 Energy: 0.7437135399196305 Energy: 0.6893286024531282 Energy: 0.677756159999133 Energy: 0.7493040294246995 Energy: 0.6777561599980971 Energy: 0.7493040294246995 Energy: 0.677756159999133 Energy: 0.7493040294246995 Energy: 0.7439502959327122 Energy: 0.6999104267504181 Energy: 0.7439502959327122 Energy: 0.6999104267504181 Energy: 0.7439502959327122 Energy: 0.6999104267514541 Energy: 0.7498962516803118 Energy: 0.7440969943979134 Energy: 0.7498962516813479 Energy: 0.7440969943989495 Energy: 0.7498962516813479 Energy: 0.7440969943979134 Energy: 0.683718369077468 Energy: 0.7167626912686963 Energy: 0.683718369077468 Energy: 0.7167626912686963 Energy: 0.6837183690764319 Energy: 0.7167626912686963 Energy: 0.7081429430606283 Energy: 0.6923490724720903 Energy: 0.7081429430606283 Energy: 0.6923490724720903 Energy: 0.7081429430595922 Energy: 0.6923490724720903 Energy: 0.7170821320249978 Energy: 0.7111791609659001 Energy: 0.7170821320249978 Energy: 0.7111791609669359 Energy: 0.7170821320249978 Energy: 0.7111791609669359 Energy: 0.6772050824379853 Energy: 0.7180740333042765 Energy: 0.6772050824379853 Energy: 0.7180740333042765 Energy: 0.6772050824379853 Energy: 0.7180740333042765 Energy: 0.7105957701444924 Energy: 0.6897718342151682 Energy: 0.7105957701444924 Energy: 0.6897718342151682 Energy: 0.7105957701434563 Energy: 0.6897718342151682 Energy: 0.7158014336316159 Energy: 0.691599920385424 Energy: 0.7158014336316159 Energy: 0.69159992038646 Energy: 0.7158014336316159 Energy: 0.691599920385424 Energy: 0.7015430913363468 Energy: 0.7489715809306039 Energy: 0.7015430913363468 Energy: 0.7489715809306039 Energy: 0.7015430913363468 Energy: 0.748971580929568 Energy: 0.7436017325714955 Energy: 0.6922566695811043 Energy: 0.7436017325725315 Energy: 0.6922566695811043 Energy: 0.7436017325725315 Energy: 0.6922566695811043 minimum gb energy = 0.6772050824379853 eV minimum distance = 2.64547820081976 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.8273247705435773 Energy: 0.8457889178857299 Energy: 0.8273247705431223 Energy: 0.8457889178857299 Energy: 0.8273247705431223 Energy: 0.8457889178857299 Energy: 0.8295820296191901 Energy: 0.8075327378793715 Energy: 0.8295820296191901 Energy: 0.8075327378789164 Energy: 0.8295820296191901 Energy: 0.8075327378789164 Energy: 0.8781399102810648 Energy: 0.8122564200221789 Energy: 0.8781399102815199 Energy: 0.8122564200221789 Energy: 0.8781399102810648 Energy: 0.8122564200221789 Energy: 0.8065668189051262 Energy: 0.8675830681649528 Energy: 0.8065668189055811 Energy: 0.8675830681640426 Energy: 0.8065668189055811 Energy: 0.8675830681644976 Energy: 0.8744631763138417 Energy: 0.8246097147473047 Energy: 0.8744631763133865 Energy: 0.8246097147468495 Energy: 0.8744631763133865 Energy: 0.8246097147473047 Energy: 0.8107284024496382 Energy: 0.8509315805817117 Energy: 0.8107284024496382 Energy: 0.8509315805817117 Energy: 0.8107284024496382 Energy: 0.8509315805817117 Energy: 0.8114683155580116 Energy: 0.8844193520925152 Energy: 0.8114683155584668 Energy: 0.8844193520929704 Energy: 0.8114683155580116 Energy: 0.8844193520934254 Energy: 0.8558332735327449 Energy: 0.8078677165707152 Energy: 0.8558332735327449 Energy: 0.8078677165707152 Energy: 0.8558332735327449 Energy: 0.8078677165707152 Energy: 0.8559261147368074 Energy: 0.8100584072635986 Energy: 0.8559261147363522 Energy: 0.8100584072635986 Energy: 0.8559261147372622 Energy: 0.8100584072635986 Energy: 0.8198506891983101 Energy: 0.8816741193949863 Energy: 0.819850689198765 Energy: 0.8816741193958965 Energy: 0.819850689198765 Energy: 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0.8618785125887399 Energy: 0.8168168986843961 Energy: 0.8618785125882847 Energy: 0.816816898683941 Energy: 0.8618785125882847 Energy: 0.8168168986843961 Energy: 0.8391637301672311 Energy: 0.8478819839182381 Energy: 0.839163730166776 Energy: 0.847881983917783 Energy: 0.8391637301672311 Energy: 0.847881983917783 Energy: 0.8158968406880573 Energy: 0.8479877690435386 Energy: 0.8158968406876023 Energy: 0.8479877690430835 Energy: 0.8158968406885124 Energy: 0.8479877690435386 Energy: 0.8578036154350687 Energy: 0.8266936764528043 Energy: 0.8578036154368891 Energy: 0.8266936764528043 Energy: 0.8578036154391647 Energy: 0.8266936764528043 Energy: 0.8156006454137358 Energy: 0.855027220544646 Energy: 0.8156006454132808 Energy: 0.8550272205441908 Energy: 0.8156006454137358 Energy: 0.855027220544646 Energy: 0.8037918903437536 Energy: 0.8702308835491931 Energy: 0.8037918903437536 Energy: 0.8702308835491931 Energy: 0.8037918903441881 Energy: 0.8702308835496483 Energy: 0.8751823488492892 Energy: 0.8130167259892971 Energy: 0.8751823488492892 Energy: 0.813016725988842 Energy: 0.8751823488497443 Energy: 0.813016725988842 Energy: 0.8600469489692286 Energy: 0.8072125704022879 Energy: 0.8600469489696838 Energy: 0.8072125704022879 Energy: 0.8600469489696838 Energy: 0.8072125704018328 Energy: 0.8171784082191603 Energy: 0.8669302310271036 Energy: 0.8171784082191603 Energy: 0.8669302310271036 Energy: 0.8171784082187051 Energy: 0.8669302310275588 Energy: 0.8569944263383573 Energy: 0.8270393779219614 Energy: 0.8569944263383573 Energy: 0.8270393779219614 Energy: 0.8569944263383573 Energy: 0.8270393779219614 Energy: 0.815252151769583 Energy: 0.8853406747605209 Energy: 0.8152521517691278 Energy: 0.8853406747605209 Energy: 0.8152521517691278 Energy: 0.8853406747600657 Energy: 0.8037059407444468 Energy: 0.848602839520468 Energy: 0.803705940745357 Energy: 0.848602839520468 Energy: 0.8037059407449019 Energy: 0.848602839520468 Energy: 0.8629471210082692 Energy: 0.8197203637489384 Energy: 0.8629471210087244 Energy: 0.8197203637498486 Energy: 0.8629471210087244 Energy: 0.8197203637493935 Energy: 0.8396162293510087 Energy: 0.814223832764989 Energy: 0.8396162293514638 Energy: 0.814223832764989 Energy: 0.8396162293510087 Energy: 0.8142238327663543 Energy: 0.8174084715995593 Energy: 0.8712818025898461 Energy: 0.8174084715995593 Energy: 0.8712818025875706 Energy: 0.8174084715995593 Energy: 0.8712818025884809 minimum gb energy = 0.8037059407444468 eV minimum distance = 2.59496869458225 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.86764594499513 Energy: 0.9785281980588421 Energy: 0.8676459449943202 Energy: 0.9785281980588421 Energy: 0.8676459449943202 Energy: 0.9785281980580322 Energy: 0.8663306308392705 Energy: 0.879314960234056 Energy: 0.8663306308392705 Energy: 0.879314960234056 Energy: 0.8663306308392705 Energy: 0.879314960234056 Energy: 0.9467604802661134 Energy: 0.8911376770011318 Energy: 0.9467604802661134 Energy: 0.8911376770003219 Energy: 0.9467604802661134 Energy: 0.8911376770011318 Energy: 0.8594142861425423 Energy: 0.9414109377044938 Energy: 0.8594142861425423 Energy: 0.9414109377044938 Energy: 0.8594142861425423 Energy: 0.9414109377044938 Energy: 0.9466792756156452 Energy: 0.8911457929066472 Energy: 0.9466792756156452 Energy: 0.8911457929066472 Energy: 0.946679275616455 Energy: 0.8911457929066472 Energy: 0.8663226259384582 Energy: 0.8795355967355294 Energy: 0.866322625940078 Energy: 0.8795355967355294 Energy: 0.866322625940078 Energy: 0.8795355967355294 Energy: 0.86764594499513 Energy: 0.9785281980588421 Energy: 0.86764594499513 Energy: 0.9785281980588421 Energy: 0.86764594499513 Energy: 0.9785281980588421 Energy: 0.8663306308384606 Energy: 0.8793149602324364 Energy: 0.8663306308400803 Energy: 0.8793149602324364 Energy: 0.8663306308392705 Energy: 0.8793149602324364 Energy: 0.9467604802653035 Energy: 0.8911376770011318 Energy: 0.9467604802653035 Energy: 0.8911376770011318 Energy: 0.9467604802653035 Energy: 0.8911376770011318 Energy: 0.859414286144162 Energy: 0.9842683144548603 Energy: 0.8594142861433522 Energy: 0.9842683144540504 Energy: 0.859414286144162 Energy: 0.9842683144556702 Energy: 0.9466792756140254 Energy: 0.8911457929058373 Energy: 0.9466792756132156 Energy: 0.8911457929058373 Energy: 0.9466792756148353 Energy: 0.8911457929058373 Energy: 0.8663226259416977 Energy: 0.8795355967355294 Energy: 0.8663226259416977 Energy: 0.8795355967355294 Energy: 0.866322625940078 Energy: 0.8795355967355294 Energy: 0.8676459449943202 Energy: 0.9785281980580322 Energy: 0.8676459449943202 Energy: 0.9785281980580322 Energy: 0.8676459449943202 Energy: 0.9785281980580322 Energy: 0.8663306308384606 Energy: 0.879314960234056 Energy: 0.8663306308392705 Energy: 0.879314960234056 Energy: 0.8663306308392705 Energy: 0.8793149602332463 Energy: 0.9467604802661134 Energy: 0.8911376770011318 Energy: 0.9467604802661134 Energy: 0.8911376770011318 Energy: 0.9467604802661134 Energy: 0.8911376770003219 Energy: 0.8594142861433522 Energy: 0.9842683144556702 Energy: 0.8594142861425423 Energy: 0.9842683144556702 Energy: 0.8594142861433522 Energy: 0.9842683144564801 Energy: 0.946679275616455 Energy: 0.8911457929066472 Energy: 0.9466792756156452 Energy: 0.8911457929066472 Energy: 0.946679275616455 Energy: 0.8911457929066472 minimum gb energy = 0.8594142861425423 eV minimum distance = 2.59792905044529 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9043164187185894 Energy: 0.9201711211772928 Energy: 0.9043164187185894 Energy: 0.9201711211766316 Energy: 0.9043164187185894 Energy: 0.9201711211772928 Energy: 0.9167480763343309 Energy: 0.9125414607907112 Energy: 0.9167480763349921 Energy: 0.9125414607907112 Energy: 0.9167480763349921 Energy: 0.9125414607900499 Energy: 0.9463527176843184 Energy: 0.896807205067838 Energy: 0.9463527176843184 Energy: 0.896807205067838 Energy: 0.9463527176843184 Energy: 0.8968072050671768 Energy: 0.8697815639423796 Energy: 0.9679911189871895 Energy: 0.8697815639437021 Energy: 0.9679911189878507 Energy: 0.869781563943041 Energy: 0.9679911189871895 Energy: 0.9134363908504248 Energy: 0.8938310234983736 Energy: 0.9134363908497635 Energy: 0.8938310234983736 Energy: 0.9134363908497635 Energy: 0.8938310234983736 Energy: 0.9379127974483733 Energy: 0.8781813170367423 Energy: 0.9379127974496959 Energy: 0.8781813170367423 Energy: 0.9379127974496959 Energy: 0.8781813170367423 Energy: 0.8675382311047011 Energy: 0.9569390485104377 Energy: 0.8675382311053623 Energy: 0.956939048511099 Energy: 0.8675382311053623 Energy: 0.956939048511099 Energy: 0.8660642677048694 Energy: 0.9379350258386783 Energy: 0.8660642677048694 Energy: 0.937935025838017 Energy: 0.8660642677048694 Energy: 0.9379350258386783 Energy: 0.9638371074486708 Energy: 0.893983093312267 Energy: 0.9638371074486708 Energy: 0.8939830933135896 Energy: 0.963837107449332 Energy: 0.8939830933129284 Energy: 0.8696995671220507 Energy: 0.9310801147126454 Energy: 0.8696995671220507 Energy: 0.9310801147133067 Energy: 0.8696995671213894 Energy: 0.9310801147126454 Energy: 0.9217667354002087 Energy: 0.91629689588297 Energy: 0.92176673540087 Energy: 0.9162968958823087 Energy: 0.9217667354002087 Energy: 0.9162968958823087 Energy: 0.9490991863511106 Energy: 0.8783296839509814 Energy: 0.949099186349788 Energy: 0.8783296839509814 Energy: 0.9490991863504492 Energy: 0.8783296839509814 Energy: 0.8667177313378462 Energy: 0.9544424590493965 Energy: 0.8667177313378462 Energy: 0.9544424590500579 Energy: 0.8667177313378462 Energy: 0.9544424590493965 Energy: 0.9130946214437561 Energy: 0.939543899662759 Energy: 0.9130946214437561 Energy: 0.939543899662759 Energy: 0.9130946214437561 Energy: 0.939543899662759 Energy: 0.9464730416752661 Energy: 0.8765662830405395 Energy: 0.9464730416746049 Energy: 0.8765662830405395 Energy: 0.9464730416746049 Energy: 0.8765662830405395 Energy: 0.915817045725902 Energy: 0.9621230033127416 Energy: 0.915817045725902 Energy: 0.9621230033127416 Energy: 0.915817045725902 Energy: 0.9621230033127416 Energy: 0.9030601182379742 Energy: 0.9597765646798901 Energy: 0.9030601182386353 Energy: 0.9597765646805514 Energy: 0.9030601182386353 Energy: 0.9597765646792288 Energy: 1.0394990942509992 Energy: 0.8783613012219779 Energy: 1.0394990942496767 Energy: 0.8783613012226391 Energy: 1.039499094250338 Energy: 0.8783613012226391 Energy: 0.8826861528972826 Energy: 0.9460354004583255 Energy: 0.8826861528979437 Energy: 0.9460354004583255 Energy: 0.882686152898605 Energy: 0.9460354004583255 Energy: 0.895655260112037 Energy: 0.9070298976854875 Energy: 0.8956552601107144 Energy: 0.9070298976854875 Energy: 0.8956552601113758 Energy: 0.9070298976854875 Energy: 0.9466459359393918 Energy: 0.8813771613685601 Energy: 0.9466459359380693 Energy: 0.8813771613678989 Energy: 0.9466459359387307 Energy: 0.8813771613678989 minimum gb energy = 0.8660642677048694 eV minimum distance = 2.60955086326807 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.8945487725557965 Energy: 0.9098241943238564 Energy: 0.8945487725557965 Energy: 0.9098241943244139 Energy: 0.8945487725557965 Energy: 0.9098241943238564 Energy: 0.8768741716718137 Energy: 0.8904533350717659 Energy: 0.8768741716718137 Energy: 0.8904533350717659 Energy: 0.8768741716718137 Energy: 0.8904533350717659 Energy: 0.9252643551379444 Energy: 0.8901212068308995 Energy: 0.9252643551379444 Energy: 0.8901212068303419 Energy: 0.9252643551379444 Energy: 0.8901212068314568 Energy: 0.9084317788278101 Energy: 0.9268370307840477 Energy: 0.9084317788278101 Energy: 0.9268370307840477 Energy: 0.9084317788278101 Energy: 0.9268370307840477 Energy: 0.889781493332657 Energy: 0.8921843969317113 Energy: 0.8897814933332143 Energy: 0.8921843969317113 Energy: 0.889781493332657 Energy: 0.8921843969317113 Energy: 0.9097824721351938 Energy: 0.8988662561706684 Energy: 0.9097824721351938 Energy: 0.8988662561706684 Energy: 0.9097824721351938 Energy: 0.8988662561706684 Energy: 0.8939885907973975 Energy: 0.8765366978257069 Energy: 0.8939885907973975 Energy: 0.8765366978257069 Energy: 0.89398859079684 Energy: 0.8765366978251495 Energy: 0.9234541460443679 Energy: 0.9251099825937235 Energy: 0.9234541460438106 Energy: 0.9251099825942808 Energy: 0.9234541460477124 Energy: 0.9251099825942808 Energy: 0.8753101325251504 Energy: 0.8916946060965844 Energy: 0.87531013252738 Energy: 0.8916946060965844 Energy: 0.8753101325234783 Energy: 0.8916946060965844 Energy: 0.8895874016433738 Energy: 0.8769579289574272 Energy: 0.8895874016378 Energy: 0.8769579289579592 Energy: 0.8895874016422589 Energy: 0.8769579289579592 Energy: 0.8897390782714232 Energy: 0.8771825856023777 Energy: 0.8897390782691936 Energy: 0.8771825856029349 Energy: 0.8897390782714232 Energy: 0.8771825856023777 Energy: 0.8750690622456755 Energy: 0.8917623278706329 Energy: 0.8750690622462328 Energy: 0.8917623278711903 Energy: 0.8750690622456755 Energy: 0.8917623278706329 Energy: 0.9251750982182453 Energy: 0.9248367063773302 Energy: 0.9251750982182453 Energy: 0.9248367063801173 Energy: 0.9251750982143435 Energy: 0.9248367063795598 Energy: 0.8940569584973292 Energy: 0.8765649815152613 Energy: 0.8940569584978866 Energy: 0.8765649815152613 Energy: 0.8940569584978866 Energy: 0.8765649815152613 Energy: 0.9097593400639734 Energy: 0.8988735089485038 Energy: 0.9097593400634161 Energy: 0.8988735089485038 Energy: 0.9097593400639734 Energy: 0.8988735089485038 Energy: 0.8900811178839605 Energy: 0.8921667310819201 Energy: 0.8900811178839605 Energy: 0.8921667310819201 Energy: 0.8900811178822884 Energy: 0.8921667310819201 Energy: 0.9083435871656864 Energy: 0.9269956486706237 Energy: 0.9083435871645716 Energy: 0.926995648671181 Energy: 0.9083435871645716 Energy: 0.9269956486706237 Energy: 0.925295140839536 Energy: 0.8900959866026659 Energy: 0.925295140839536 Energy: 0.8900959866032231 Energy: 0.9252951408400935 Energy: 0.8900959866032231 Energy: 0.8768694006150517 Energy: 0.8903107073217675 Energy: 0.8768694006139368 Energy: 0.8903107073212103 Energy: 0.8768694006144944 Energy: 0.8903107073200955 Energy: 0.8945487725557965 Energy: 0.9098241943244139 Energy: 0.8945487725563538 Energy: 0.9098241943244139 Energy: 0.8945487725557965 Energy: 0.9098241943244139 Energy: 0.8768741716718137 Energy: 0.8904533350717659 Energy: 0.8768741716712563 Energy: 0.8904533350712086 Energy: 0.8768741716718137 Energy: 0.8904533350717659 Energy: 0.9252643551379444 Energy: 0.8901212068308995 Energy: 0.925264355137387 Energy: 0.8901212068303419 Energy: 0.9252643551379444 Energy: 0.8901212068303419 Energy: 0.9084317788278101 Energy: 0.9268370307846051 Energy: 0.9084317788278101 Energy: 0.9268370307846051 Energy: 0.9084317788278101 Energy: 0.9268370307840477 Energy: 0.889781493332657 Energy: 0.8921843969317113 Energy: 0.8897814933320995 Energy: 0.8921843969317113 Energy: 0.8897814933332143 Energy: 0.8921843969317113 Energy: 0.9097824721351938 Energy: 0.8988662561706684 Energy: 0.9097824721346365 Energy: 0.898866256170111 Energy: 0.9097824721357511 Energy: 0.8988662561706684 minimum gb energy = 0.8750690622456755 eV minimum distance = 2.61295805002075 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9019962166455413 Energy: 0.8775779736620203 Energy: 0.9019962166455413 Energy: 0.8775779736615392 Energy: 0.9019962166460225 Energy: 0.8775779736625015 Energy: 0.8772831313751329 Energy: 0.8772141872126983 Energy: 0.8772831313746516 Energy: 0.8772141872126983 Energy: 0.8772831313746516 Energy: 0.8772141872126983 Energy: 0.8962640845196356 Energy: 0.8683351664279452 Energy: 0.8962640845196356 Energy: 0.8683351664279452 Energy: 0.8962640845196356 Energy: 0.8683351664279452 Energy: 0.8695234136340052 Energy: 0.8871354729492215 Energy: 0.869523413633524 Energy: 0.8871354729492215 Energy: 0.8695234136340052 Energy: 0.8871354729492215 Energy: 0.8739752589888176 Energy: 0.8920662798935067 Energy: 0.8739752589892987 Energy: 0.8920662798939878 Energy: 0.8739752589888176 Energy: 0.8920662798935067 Energy: 0.8930070445508764 Energy: 0.8784173231334982 Energy: 0.8930070445508764 Energy: 0.8784173231334982 Energy: 0.8930070445508764 Energy: 0.8784173231334982 Energy: 0.8692363771450309 Energy: 0.882304132623477 Energy: 0.8692363771450309 Energy: 0.8823041326225146 Energy: 0.8692363771450309 Energy: 0.8823041326229958 Energy: 0.8732198347233849 Energy: 0.891102091974142 Energy: 0.873219834723866 Energy: 0.891102091974142 Energy: 0.873219834723866 Energy: 0.8911020919751043 Energy: 0.92164818678474 Energy: 0.8679061622622125 Energy: 0.9216481867837779 Energy: 0.8679061622626936 Energy: 0.9216481867818533 Energy: 0.8679061622626936 Energy: 0.8807199250539871 Energy: 0.8860917932302641 Energy: 0.880719925053506 Energy: 0.886091793229783 Energy: 0.8807199250539871 Energy: 0.886091793229783 Energy: 0.8704762259992177 Energy: 0.9159389559321666 Energy: 0.8704762259996988 Energy: 0.9159389559321666 Energy: 0.8704762260001799 Energy: 0.9159389559321666 Energy: 0.8955049414185404 Energy: 0.8694028214254527 Energy: 0.8955049414190216 Energy: 0.8694028214249715 Energy: 0.8955049414185404 Energy: 0.8694028214249715 Energy: 0.8748095714555143 Energy: 0.8835704465327154 Energy: 0.8748095714555143 Energy: 0.8835704465327154 Energy: 0.8748095714555143 Energy: 0.8835704465327154 Energy: 0.8707228644035576 Energy: 0.8824776258096453 Energy: 0.8707228644030766 Energy: 0.8824776258096453 Energy: 0.8707228644035576 Energy: 0.8824776258096453 Energy: 0.8885107125885681 Energy: 0.8679944406384302 Energy: 0.8885107125885681 Energy: 0.8679944406384302 Energy: 0.8885107125885681 Energy: 0.8679944406384302 Energy: 0.9055607305399237 Energy: 0.8640801416122276 Energy: 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0.8634240626918805 Energy: 0.93024046144237 Energy: 0.8634240626918805 Energy: 0.8913643505219329 Energy: 0.8899685690636446 Energy: 0.891364350522414 Energy: 0.8899685690636446 Energy: 0.8913643505228952 Energy: 0.8899685690636446 Energy: 0.8898178508758757 Energy: 0.8845697783505688 Energy: 0.8898178508758757 Energy: 0.8845697783510499 Energy: 0.8898178508763569 Energy: 0.8845697783505688 Energy: 0.8760097552028414 Energy: 0.8678846953059323 Energy: 0.8760097552028414 Energy: 0.8678846953059323 Energy: 0.8760097552033226 Energy: 0.8678846953059323 Energy: 0.880738127732525 Energy: 0.8869457395495253 Energy: 0.880738127732044 Energy: 0.8869457395495253 Energy: 0.880738127732525 Energy: 0.8869457395495253 Energy: 0.8759375439900654 Energy: 0.9080105834067947 Energy: 0.8634031834693011 Energy: 0.9080105834067947 Energy: 0.8759375439900654 Energy: 0.9080105834063137 Energy: 0.8851607732487689 Energy: 0.8762098118436557 Energy: 0.8851607732478065 Energy: 0.8762098118436557 Energy: 0.8851607732487689 Energy: 0.8762098118436557 Energy: 0.8604413364596268 Energy: 0.8801033385506709 Energy: 0.860441336460108 Energy: 0.8801033385506709 Energy: 0.860441336460108 Energy: 0.8801033385506709 minimum gb energy = 0.8604413364596268 eV minimum distance = 2.56416311230594 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8796585985351966 Energy: 0.8582249714203543 Energy: 0.8796585985347737 Energy: 0.8582249714203543 Energy: 0.8796585985351966 Energy: 0.8582249714203543 Energy: 0.8501687401043178 Energy: 0.842115209031094 Energy: 0.8501687401038946 Energy: 0.842115209030671 Energy: 0.8501687401043178 Energy: 0.842115209030671 Energy: 0.8563478416181682 Energy: 0.8489394396767697 Energy: 0.8563478416185911 Energy: 0.8489394396767697 Energy: 0.8563478416185911 Energy: 0.8489394396767697 Energy: 0.8346759900829033 Energy: 0.8582638374136785 Energy: 0.8346759900833262 Energy: 0.8582638374132556 Energy: 0.8346759900829033 Energy: 0.8582638374073345 Energy: 0.8419194058813023 Energy: 0.8506788123023666 Energy: 0.8419194058808791 Energy: 0.8506788123019436 Energy: 0.8419194058813023 Energy: 0.8506788123019436 Energy: 0.8412588167567349 Energy: 0.8472496228218919 Energy: 0.8412588167580038 Energy: 0.8472496228218919 Energy: 0.8412588167571577 Energy: 0.8472496228218919 Energy: 0.843130127109226 Energy: 0.8644650039192934 Energy: 0.8431301271088031 Energy: 0.8644650039188705 Energy: 0.8431301271088031 Energy: 0.8644650039188705 Energy: 0.8399449869727295 Energy: 0.8568648946676404 Energy: 0.8399449869723066 Energy: 0.8568648946680633 Energy: 0.8399449869727295 Energy: 0.8568648946672175 Energy: 0.8418039575677698 Energy: 0.8451728006536171 Energy: 0.8418039575686157 Energy: 0.8451728006536171 Energy: 0.8418039575681927 Energy: 0.84517280065404 Energy: 0.8421689714450675 Energy: 0.8504208490218804 Energy: 0.8421689714450675 Energy: 0.8504208490214575 Energy: 0.8421689714459133 Energy: 0.8504208490218804 Energy: 0.8424153154733701 Energy: 0.9621561346164568 Energy: 0.842415315473793 Energy: 0.9621561346164568 Energy: 0.842415315473793 Energy: 0.9621561346160339 Energy: 0.8664714751208079 Energy: 0.8431532842873473 Energy: 0.8664714751199621 Energy: 0.8431532842869243 Energy: 0.8664714751212308 Energy: 0.8431532842869243 Energy: 0.8312059163663457 Energy: 0.8485525694888056 Energy: 0.8312059163667685 Energy: 0.8485525694888056 Energy: 0.8312059163667685 Energy: 0.8485525694888056 Energy: 0.8508450830503786 Energy: 0.8745288862886562 Energy: 0.8508450830503786 Energy: 0.8745288862890791 Energy: 0.8508450830508016 Energy: 0.8745288862886562 Energy: 0.8500127560098868 Energy: 0.8479326481556014 Energy: 0.8500127560098868 Energy: 0.8479326481551784 Energy: 0.8500127560094638 Energy: 0.8479326481547556 Energy: 0.8559806796016213 Energy: 0.8475016255457114 Energy: 0.85598067960289 Energy: 0.8475016255457114 Energy: 0.8559806796016213 Energy: 0.8475016255457114 Energy: 0.8348658084571627 Energy: 0.8733817093169111 Energy: 0.8348658084563167 Energy: 0.8733817093164881 Energy: 0.8348658084571627 Energy: 0.8733817093169111 Energy: 0.8383281926424606 Energy: 0.849880586704361 Energy: 0.8383281926420377 Energy: 0.849880586704361 Energy: 0.8383281926428835 Energy: 0.8498805867047838 Energy: 0.8412503024724557 Energy: 0.8451187957566608 Energy: 0.8412503024724557 Energy: 0.8451187957566608 Energy: 0.8412503024724557 Energy: 0.8451187957566608 Energy: 0.8504469723393145 Energy: 0.8431160779978014 Energy: 0.8504469723388915 Energy: 0.8431160779978014 Energy: 0.8504469723393145 Energy: 0.8431160779973785 Energy: 0.8401533026398288 Energy: 0.9458348009509168 Energy: 0.8401533026402517 Energy: 0.9458348009496478 Energy: 0.8401533026398288 Energy: 0.9458348009504935 Energy: 0.8722545152830498 Energy: 0.8464040252394018 Energy: 0.8722545152830498 Energy: 0.8464040252394018 Energy: 0.8722545152826269 Energy: 0.8464040252398247 Energy: 0.87339387180842 Energy: 0.8483854794030962 Energy: 0.8733938718079971 Energy: 0.8483854794030962 Energy: 0.8733938718079971 Energy: 0.848385479403519 Energy: 0.8349067339425107 Energy: 0.9288282870714184 Energy: 0.8349067339437795 Energy: 0.9288282870714184 Energy: 0.8349067339429336 Energy: 0.9288282870718415 Energy: 0.8664978869365662 Energy: 0.8476800496108662 Energy: 0.8664978869374121 Energy: 0.8476800496108662 Energy: 0.8664978869365662 Energy: 0.8476800496112892 Energy: 0.8322009639010336 Energy: 0.8506242508439383 Energy: 0.8322009639023026 Energy: 0.8506242508435155 Energy: 0.8322009639010336 Energy: 0.8506242508384402 Energy: 0.8523585989601735 Energy: 0.8794093853730971 Energy: 0.8523585989601735 Energy: 0.87940938537352 Energy: 0.8523585989605964 Energy: 0.8794093853730971 Energy: 0.8524477013383844 Energy: 0.8469766182543566 Energy: 0.8524477013392304 Energy: 0.8469766182539334 Energy: 0.8524477013383844 Energy: 0.8469766182543566 Energy: 0.9297395299346285 Energy: 0.8452376672854369 Energy: 0.9297395299350514 Energy: 0.8452376672854369 Energy: 0.9297395299350514 Energy: 0.8452376672862828 Energy: 0.8381569238271971 Energy: 0.8471300883980238 Energy: 0.8381569238263513 Energy: 0.8471300883980238 Energy: 0.8381569238276201 Energy: 0.8471300883984467 Energy: 0.8400631111656222 Energy: 0.8540917110375661 Energy: 0.840063111166045 Energy: 0.8540917110367201 Energy: 0.8400631111651993 Energy: 0.8540917110367201 Energy: 0.872814892077439 Energy: 0.8438453038138803 Energy: 0.8728148920782849 Energy: 0.8438453038143034 Energy: 0.8728148920765931 Energy: 0.8438453038143034 Energy: 0.8731404971833764 Energy: 0.8469361779826422 Energy: 0.8731404971837993 Energy: 0.8469361779830652 Energy: 0.8731404971825305 Energy: 0.8469361779826422 minimum gb energy = 0.8312059163663457 eV minimum distance = 2.57137640999602 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.009372548294725605 Energy: 0.5318988531869511 Energy: 0.009372548294725605 Energy: 0.5318988531869511 Energy: 0.009372548294725605 Energy: 0.5318988531865998 Energy: 0.009881131576452517 Energy: 0.18788568808843384 Energy: 0.009881131576120635 Energy: 0.18788568808878528 Energy: 0.009881131576452517 Energy: 0.18788568808878528 Energy: 0.532357970626866 Energy: 0.1872210804953827 Energy: 0.5323579724347643 Energy: 0.18722108049503128 Energy: 0.5323579114028625 Energy: 0.18722108049399658 Energy: 0.009881131576452517 Energy: 0.18788568808810197 Energy: 0.009881131576803922 Energy: 0.18788568808810197 Energy: 0.009881131576803922 Energy: 0.18788568808843384 minimum gb energy = 0.009372548294725605 eV minimum distance = 2.8544052736247 Angstroms sigma value = 1