Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.869337007403374 cohesive_energy=3.206600283772908 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.01083603274589879 Energy: 0.01131185524273531 Energy: 0.01088878517516882 Energy: 0.011311855243282782 Energy: 0.01131185524273531 Energy: 0.5380710731158561 Energy: 0.011311855243282782 Energy: 0.5380710731158561 Energy: 0.010888785175685877 Energy: 0.01131185524273531 Energy: 0.01083603274589879 Energy: 0.01131185524273531 Energy: 0.01131185524273531 Energy: 0.5380710731158561 Energy: 0.011311855243282782 Energy: 0.5380710731164036 minimum gb energy = 0.01083603274589879 eV minimum distance = 2.632053764774 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.793359908445739 Energy: 0.7688891907654966 Energy: 0.7847562086682356 Energy: 0.7688891907648326 Energy: 0.7951407567288887 Energy: 0.7684463036785345 Energy: 0.7813343064237886 Energy: 0.7684463036791984 Energy: 0.7423070747047498 Energy: 0.7551577176848091 Energy: 0.7747185519059103 Energy: 0.7551577176854732 Energy: 0.7684108208837844 Energy: 0.7833596067496462 Energy: 0.7564380422546337 Energy: 0.7833596067503101 Energy: 0.7669752264945503 Energy: 0.7702769452765756 Energy: 0.7690599994791113 Energy: 0.7702769452759117 Energy: 0.7570826885201498 Energy: 0.7780576703792632 Energy: 0.7210447289266154 Energy: 0.7780576703792632 Energy: 0.7753139032807004 Energy: 0.7551163432300764 Energy: 0.7592035576737108 Energy: 0.7551163432300764 Energy: 0.7271307192055739 Energy: 0.77026047612716 Energy: 0.7188950179504856 Energy: 0.7702604761284879 Energy: 0.7572728217934096 Energy: 0.7968293561727245 Energy: 0.792762583343148 Energy: 0.7968293561720606 Energy: 0.717977412901409 Energy: 0.7547580262866771 Energy: 0.7232386936942151 Energy: 0.754758026287341 Energy: 0.7757312634581438 Energy: 0.7886792818558603 Energy: 0.7570871211526633 Energy: 0.7886792818558603 Energy: 0.7836503838385155 Energy: 0.7701135800376886 Energy: 0.7282314895721678 Energy: 0.7701135800390166 Energy: 0.7781628519628486 Energy: 0.7547666507234463 Energy: 0.7963453371332908 Energy: 0.7547666507221183 Energy: 0.7740264038750407 Energy: 0.7658914871483755 Energy: 0.7469536102568934 Energy: 0.7658914871483755 Energy: 0.7744655298431827 Energy: 0.7701626533339799 Energy: 0.7783506501327208 Energy: 0.770162653333316 Energy: 0.7880041494617317 Energy: 0.7710226887399836 Energy: 0.7782283278704835 Energy: 0.7710226887406475 Energy: 0.7746471030690678 Energy: 0.7552204840974864 Energy: 0.7466365591260399 Energy: 0.7552204840968225 Energy: 0.781471276086682 Energy: 0.7553221534370561 Energy: 0.7952283160611476 Energy: 0.755322153436392 Energy: 0.7228615027773209 Energy: 0.76973226096332 Energy: 0.7274212377356067 Energy: 0.7697322609626559 Energy: 0.7805721869323352 Energy: 0.786366857517869 Energy: 0.7560543910985766 Energy: 0.786366857517869 Energy: 0.7189424427778915 Energy: 0.7551265811529592 Energy: 0.7219071328582524 Energy: 0.7551265811522953 Energy: 0.7564100617548292 Energy: 0.7841048041495188 Energy: 0.7849048055879817 Energy: 0.7841048041501828 Energy: 0.7701532509089908 Energy: 0.770343958788441 Energy: 0.7463992869564486 Energy: 0.7703439587877771 Energy: 0.7605391138134316 Energy: 0.7565407105309419 Energy: 0.7570863701959473 Energy: 0.7565407105309419 Energy: 0.7592518971518808 Energy: 0.7664534194246644 Energy: 0.7957756431275124 Energy: 0.7664534194253283 Energy: 0.7667017611558333 Energy: 0.7702778492508027 Energy: 0.7486813129379433 Energy: 0.7702778492501386 Energy: 0.7780206095911859 Energy: 0.7661402969914406 Energy: 0.7572255074661124 Energy: 0.7661402969901128 Energy: 0.7449286275325779 Energy: 0.754688008760167 Energy: 0.7770452385814001 Energy: 0.754688008760167 Energy: 0.7954218875093424 Energy: 0.7704998390010842 Energy: 0.7750625676791663 Energy: 0.7704998390010842 Energy: 0.7920828851352442 Energy: 0.7692253368644187 Energy: 0.7857372913050149 Energy: 0.7692253368637548 Energy: 0.7960549040199928 Energy: 0.7645826417173922 Energy: 0.7782324779492044 Energy: 0.7645826417167283 Energy: 0.7626499207524313 Energy: 0.7556574279249143 Energy: 0.7739961879728582 Energy: 0.7556574279249143 Energy: 0.7669017580426772 Energy: 0.783909500019561 Energy: 0.757288337859756 Energy: 0.783909500019561 minimum gb energy = 0.717977412901409 eV minimum distance = 2.50282201512102 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.837869946108183 Energy: 0.8262301225748834 Energy: 0.8235026743688262 Energy: 0.8262301225696185 Energy: 0.8024636251426821 Energy: 0.826737048588589 Energy: 0.8068046568417014 Energy: 0.826737048589346 Energy: 0.7792869245126284 Energy: 0.8264724242923641 Energy: 0.789617037530858 Energy: 0.8264724242961149 Energy: 0.7519086066200785 Energy: 0.7941611236443207 Energy: 0.7708521938912504 Energy: 0.7941611236465573 Energy: 0.751853265626585 Energy: 0.8055785056418583 Energy: 0.7991500286398141 Energy: 0.8055785056395872 Energy: 0.82970997280169 Energy: 0.8054491323102911 Energy: 0.7997888361151225 Energy: 0.8054491323110483 Energy: 0.8018430423987402 Energy: 0.7935275401181366 Energy: 0.7858695367405577 Energy: 0.7935275401158655 Energy: 0.7486511265056567 Energy: 0.8266239034715601 Energy: 0.7528535928029785 Energy: 0.8266239034723171 Energy: 0.7588750862328779 Energy: 0.8263358055521529 Energy: 0.8073151339755337 Energy: 0.8263358055521529 Energy: 0.7523490605285769 Energy: 0.8264897846357846 Energy: 0.8204878716620095 Energy: 0.8264897846335134 Energy: 0.8014350264892282 Energy: 0.8076132394987855 Energy: 0.7945525175685898 Energy: 0.8076132394934863 Energy: 0.753064363086016 Energy: 0.8142952547342324 Energy: 0.7898570010255201 Energy: 0.8142952547334754 Energy: 0.8248580823207441 Energy: 0.8052820772210334 Energy: 0.7609928896862107 Energy: 0.8052820772225475 Energy: 0.8248146680485451 Energy: 0.8039821697761121 Energy: 0.7995281568783759 Energy: 0.803982169774598 Energy: 0.7528709387507213 Energy: 0.8140706864756543 Energy: 0.8079945995811969 Energy: 0.8140706864741403 Energy: 0.8016691210115916 Energy: 0.8076228584846851 Energy: 0.8070286637861998 Energy: 0.8076228584877132 Energy: 0.7523996725509939 Energy: 0.8264515473625591 Energy: 0.752077411752824 Energy: 0.8264515473618022 Energy: 0.7589960664824403 Energy: 0.8412117732989539 Energy: 0.8073574689391205 Energy: 0.8412117732966827 Energy: 0.7486474084897988 Energy: 0.8266678540988712 Energy: 0.7522266120570075 Energy: 0.8266678540966002 Energy: 0.8010245416000978 Energy: 0.7936412903382241 Energy: 0.7710175064319783 Energy: 0.7936412903344389 Energy: 0.8297120577913598 Energy: 0.8054518263488932 Energy: 0.7535015006880107 Energy: 0.8054518263496502 Energy: 0.7518499228192052 Energy: 0.8055484900514763 Energy: 0.7920713574800806 Energy: 0.8055484900537474 Energy: 0.7519303111266508 Energy: 0.7941764592963692 Energy: 0.782951459944209 Energy: 0.7941764592986404 Energy: 0.7791622214981545 Energy: 0.8263940777776457 Energy: 0.820094954393732 Energy: 0.8263940777813965 Energy: 0.8025842129522353 Energy: 0.8267570434547092 Energy: 0.8068491804279107 Energy: 0.826757043452438 Energy: 0.837869946107426 Energy: 0.8262301225741264 Energy: 0.8241757737764368 Energy: 0.8262301225696185 Energy: 0.8024636251434392 Energy: 0.826737048588589 Energy: 0.8068046568432155 Energy: 0.8267370485901031 Energy: 0.7792869245118713 Energy: 0.8264724242923641 Energy: 0.789617037532372 Energy: 0.8264724242961149 Energy: 0.7519086066231067 Energy: 0.7941611236450776 Energy: 0.7708521938912504 Energy: 0.7941611236465573 minimum gb energy = 0.7486474084897988 eV minimum distance = 2.44817163245512 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.8176461033328126 Energy: 0.8566609688533984 Energy: 0.8656017204624091 Energy: 0.8566609688525183 Energy: 0.7944761408150899 Energy: 0.8295644188873575 Energy: 0.7927439604847761 Energy: 0.8295644188873575 Energy: 0.7895205668703708 Energy: 0.8905305626831551 Energy: 0.7935466188700002 Energy: 0.8905305626831551 Energy: 0.7875310412231604 Energy: 0.8487436972657257 Energy: 0.7962527372168823 Energy: 0.8487436972648456 Energy: 0.7953313915569015 Energy: 0.8574269685267322 Energy: 0.8341447999468585 Energy: 0.8574269685258522 Energy: 0.8767996359615057 Energy: 0.8904695735224227 Energy: 0.7940364829467376 Energy: 0.8904695735224227 Energy: 0.7936071531347411 Energy: 0.796983319316636 Energy: 0.8197641448004643 Energy: 0.796983319315756 Energy: 0.9425842474360641 Energy: 0.8570190161432466 Energy: 0.7866390981325615 Energy: 0.8570190161432466 Energy: 0.8197331158644712 Energy: 0.833572891843131 Energy: 0.7932648397926336 Energy: 0.833572891843131 Energy: 0.7930610841128768 Energy: 0.8907773468914743 Energy: 0.7849439274014536 Energy: 0.8907773468923543 Energy: 0.7938144232870993 Energy: 0.8571716849063288 Energy: 0.7927425870250077 Energy: 0.8571716849054487 Energy: 0.7981776041472429 Energy: 0.8566709117194746 Energy: 0.7927680596706084 Energy: 0.8566709117203548 Energy: 0.7934172782242638 Energy: 0.8475516178594302 Energy: 0.7865920918059065 Energy: 0.8475516178594302 Energy: 0.821810849096243 Energy: 0.7929665056683813 Energy: 0.7958968560030583 Energy: 0.7929665056675015 Energy: 0.7850071451256708 Energy: 0.8569195780272217 Energy: 0.784595822562865 Energy: 0.8569195780272217 Energy: 0.7927562348141886 Energy: 0.7977459122462146 Energy: 0.7942424187997073 Energy: 0.7977459122462146 Energy: 0.7740345951267974 Energy: 0.8904175463464161 Energy: 0.7734301767133347 Energy: 0.8904175463464161 Energy: 0.7966540966556346 Energy: 0.8592150985890771 Energy: 0.7892640175897879 Energy: 0.8592150985890771 Energy: 0.7851600903645066 Energy: 0.8488480450742778 Energy: 0.7954386090165815 Energy: 0.8488480450742778 Energy: 0.7939650456730861 Energy: 0.8904096331111593 Energy: 0.7963305800137461 Energy: 0.8904096331111593 Energy: 0.8064995925260705 Energy: 0.8293082751089336 Energy: 0.7926179397899935 Energy: 0.8293082751089336 Energy: 0.8179805998777737 Energy: 0.8567594216449932 Energy: 0.8700585417540666 Energy: 0.8567594216449932 Energy: 0.793503553410428 Energy: 0.8396923539795718 Energy: 0.7933903226787399 Energy: 0.8396923539795718 Energy: 0.7900502329887272 Energy: 0.8908408249455538 Energy: 0.7934650202942404 Energy: 0.8908408249455538 Energy: 0.7930862308949514 Energy: 0.8484140442772039 Energy: 0.7945750282409386 Energy: 0.8484140442772039 minimum gb energy = 0.7734301767133347 eV minimum distance = 2.45253791484509 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.8502038731937077 Energy: 0.8502173912543881 Energy: 0.8917036226311919 Energy: 0.8502173912522885 Energy: 0.8488706917005001 Energy: 0.8915614916296967 Energy: 0.8475316861663853 Energy: 0.891561491627597 Energy: 0.8004537445855028 Energy: 0.8464237648921035 Energy: 0.8198463077118469 Energy: 0.8464237648910539 Energy: 0.8481700685722717 Energy: 0.9084291809149801 Energy: 0.8160335807817856 Energy: 0.9084291809149801 Energy: 0.9312731186431997 Energy: 0.8851203659485768 Energy: 0.8219112704152456 Energy: 0.8851203659464771 Energy: 0.7922306185098945 Energy: 0.8470071789049827 Energy: 0.8187679033774866 Energy: 0.8470071789070823 Energy: 0.8521285844629263 Energy: 0.8789949226571024 Energy: 0.8160217009455089 Energy: 0.878994922652903 Energy: 0.891507852444566 Energy: 0.8469676208126922 Energy: 0.8117879568202204 Energy: 0.8469676208147919 Energy: 0.8533480221760359 Energy: 0.8914997260443828 Energy: 0.8861136111310338 Energy: 0.8914997260454325 Energy: 0.8464851823315399 Energy: 0.8507218117918881 Energy: 0.8189712435584255 Energy: 0.8507218117908383 Energy: 0.8216061721875773 Energy: 0.8831086034631201 Energy: 0.8203765826840248 Energy: 0.8831086034610205 Energy: 0.8481545843759964 Energy: 0.849429379402837 Energy: 0.81607174223063 Energy: 0.849429379402837 Energy: 0.7922544360962556 Energy: 0.850053258414307 Energy: 0.792058996209135 Energy: 0.850053258414307 Energy: 0.8645486589695083 Energy: 0.847494850518994 Energy: 0.8456939429542922 Energy: 0.847494850517968 Energy: 0.7922667999454689 Energy: 0.8497365841422029 Energy: 0.8916862587114172 Energy: 0.8497365841422029 Energy: 0.8481775361791328 Energy: 0.8498290553768131 Energy: 0.8160704157973053 Energy: 0.8498290553757633 Energy: 0.8216306790465565 Energy: 0.8832089507368431 Energy: 0.820384956587528 Energy: 0.8832089507368431 Energy: 0.8465789078984626 Energy: 0.8506209233931723 Energy: 0.8189560442320556 Energy: 0.8506209233921226 Energy: 0.8535143724989674 Energy: 0.8916655465574844 Energy: 0.8214807662799946 Energy: 0.891665546559584 Energy: 0.8914159403984903 Energy: 0.846952412417796 Energy: 0.8117907138582503 Energy: 0.846952412416746 Energy: 0.8521776514344988 Energy: 0.878894022407005 Energy: 0.8160431306949566 Energy: 0.8788940224091046 minimum gb energy = 0.792058996209135 eV minimum distance = 2.45581609398782 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.8299402661417652 Energy: 0.9518221363839708 Energy: 0.9648189937894667 Energy: 0.9518221363826727 Energy: 0.8133411607466664 Energy: 0.9040000756004934 Energy: 0.8059911840186031 Energy: 0.9040000755978969 Energy: 0.8059260417559744 Energy: 0.9622338474255475 Energy: 0.8055736061031873 Energy: 0.9622338474268457 Energy: 0.8297992435075682 Energy: 0.9475006867079809 Energy: 0.9304582637472352 Energy: 0.9475006867092792 Energy: 0.9289556150249664 Energy: 0.8152258968480567 Energy: 0.8295626762208015 Energy: 0.8152258968467583 Energy: 0.8067299466298503 Energy: 0.9614489746866599 Energy: 0.8068491630131565 Energy: 0.9614489746866599 Energy: 0.8284946720513644 Energy: 0.8992360038064239 Energy: 0.8057281723010279 Energy: 0.8992360038051257 Energy: 0.9219566810609495 Energy: 0.9456079021560955 Energy: 0.8324450199630395 Energy: 0.945607902158692 Energy: 0.8055188680582799 Energy: 0.9000444602470427 Energy: 0.8155838828414497 Energy: 0.9000444602470427 Energy: 0.9591535294347929 Energy: 0.919748480702762 Energy: 0.8078069298843721 Energy: 0.9197484807014638 Energy: 0.8281614138001884 Energy: 0.9456787012236706 Energy: 1.0437742126260376 Energy: 0.9456787012236706 Energy: 0.8063212166030956 Energy: 0.8378918212278199 Energy: 0.9604993743007708 Energy: 0.8378918212265217 Energy: 0.9235164107239895 Energy: 0.9690865507087252 Energy: 0.8052729392555554 Energy: 0.9690865507087252 Energy: 0.8062858128601454 Energy: 0.9436493022411405 Energy: 0.8301689676755771 Energy: 0.9436493022424389 Energy: 0.8291071950899167 Energy: 0.9456388933027087 Energy: 0.922163597633115 Energy: 0.9456388933027087 Energy: 0.816669155499554 Energy: 0.8573892149052346 Energy: 0.8065446853270235 Energy: 0.8573892148909826 Energy: 0.8063936179626644 Energy: 0.864201049223594 Energy: 0.9581986814812503 Energy: 0.8642010492222956 minimum gb energy = 0.8052729392555554 eV minimum distance = 2.52069464665853 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.8895305850716946 Energy: 0.8909853301271838 Energy: 1.063086216245623 Energy: 0.8909853301264485 Energy: 0.9333130767293287 Energy: 0.8674930587700215 Energy: 0.8212667836981475 Energy: 0.8674930587693194 Energy: 0.9383458498662387 Energy: 0.9015872155134081 Energy: 0.8210620837760774 Energy: 0.9015872155134081 Energy: 0.821824408618762 Energy: 0.9090109617447678 Energy: 0.887086746512545 Energy: 0.9090109617462383 Energy: 0.9626186611390642 Energy: 0.9305221669432273 Energy: 0.8349611809237549 Energy: 0.930522166944698 Energy: 0.830341340881111 Energy: 0.8456605013677108 Energy: 0.9374006164066739 Energy: 0.8456605013743284 Energy: 0.8229303599629174 Energy: 0.8946588118111921 Energy: 0.8215875895909911 Energy: 0.8946588118111921 Energy: 0.9371344810883654 Energy: 0.9081925000058264 Energy: 0.8336385947246123 Energy: 0.908192500007297 Energy: 0.8323347005225341 Energy: 0.9416840261503756 Energy: 0.9633266433213125 Energy: 0.9416840261511108 Energy: 1.0331938061832633 Energy: 0.8781651584016761 Energy: 0.8245719701501235 Energy: 0.8781651584009408 Energy: 0.8221554832793875 Energy: 0.9079391434058266 Energy: 0.9409777053062013 Energy: 0.9079391434058266 Energy: 0.8339383905756075 Energy: 0.8926218998344971 Energy: 0.8336892506878494 Energy: 0.8926218998337618 Energy: 0.932399127528083 Energy: 0.888816503396753 Energy: 0.8867759337541105 Energy: 0.8888165033974883 Energy: 0.8253083381096726 Energy: 0.9567735119405011 Energy: 0.9342326236723284 Energy: 0.9567735119419717 Energy: 0.8965565213381471 Energy: 0.8956893228142173 Energy: 0.8315171521020297 Energy: 0.8956893228127467 Energy: 0.939149541126198 Energy: 0.9084050897250416 Energy: 0.9384015078105925 Energy: 0.908405089723571 Energy: 0.8217089402170429 Energy: 0.9185998791751794 Energy: 0.9391274166703544 Energy: 0.9185998791766499 Energy: 0.9147581815455231 Energy: 0.8858800970781047 Energy: 0.8303817228920499 Energy: 0.8858800970795753 Energy: 0.8215011183714672 Energy: 0.9186832390741551 Energy: 0.8683398045186427 Energy: 0.9186832390748904 Energy: 0.821363130370782 Energy: 0.9086225776017939 Energy: 0.8216339854992705 Energy: 0.9086225776017939 Energy: 0.8823328554161805 Energy: 0.9016545316294935 Energy: 0.9387205888988893 Energy: 0.9016545316280229 Energy: 0.821039510641066 Energy: 0.976796307442711 Energy: 1.031922115155828 Energy: 0.9767963074419755 Energy: 0.9558798504156977 Energy: 0.908847319049424 Energy: 0.8204807002047203 Energy: 0.9088473190501593 Energy: 0.8296843146318167 Energy: 0.8965246645631166 Energy: 0.9277106663520953 Energy: 0.8965246645631166 Energy: 0.8299017535029253 Energy: 0.9012718602551474 Energy: 0.9277321655069235 Energy: 0.9012718602544121 Energy: 0.9578618552206295 Energy: 0.9086987020819147 Energy: 0.8212842233429721 Energy: 0.90869870208265 Energy: 0.8349950755763518 Energy: 0.9624188783585771 Energy: 1.0567578769459338 Energy: 0.9624188783600476 Energy: 0.948076334591861 Energy: 0.8504750462182604 Energy: 0.939556060736899 Energy: 0.8504750462123781 Energy: 1.0029992348272756 Energy: 0.9083336061434686 Energy: 0.8228331211323726 Energy: 0.9083336061471451 Energy: 0.833981550161418 Energy: 0.9193986383229645 Energy: 0.9162898704541115 Energy: 0.9193986383229645 minimum gb energy = 0.8204807002047203 eV minimum distance = 2.43161478515586 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.7650583691354007 Energy: 0.7653950706096883 Energy: 1.0240442818167428 Energy: 0.765395070611381 Energy: 0.942371831739361 Energy: 0.8182361990228656 Energy: 0.7728155714453244 Energy: 0.8182361990211728 Energy: 0.7665402674916253 Energy: 0.7659076941383266 Energy: 0.9206991244803587 Energy: 0.7659076941383266 Energy: 0.7663396081285291 Energy: 0.7658020144338882 Energy: 0.8779196586376364 Energy: 0.7658020144338882 Energy: 0.9424980423561994 Energy: 0.8182131572894332 Energy: 0.771968937677876 Energy: 0.8182131572911261 Energy: 0.7650583691354007 Energy: 0.7653950706096883 Energy: 1.0803396782392007 Energy: 0.765395070611381 Energy: 0.9423718317410538 Energy: 0.8182361990228656 Energy: 0.8712983363345359 Energy: 0.8182361990211728 Energy: 0.7665402674916253 Energy: 0.7659076941366336 Energy: 0.920699124478666 Energy: 0.7659076941366336 Energy: 0.7663396081285291 Energy: 0.7658020144305027 Energy: 0.9315781977228543 Energy: 0.7658020144321954 Energy: 0.9424980423561994 Energy: 0.8182131572894332 Energy: 0.870962275593292 Energy: 0.8182131572911261 Energy: 0.7650583691354007 Energy: 0.7653950706096883 Energy: 1.0803396782392007 Energy: 0.765395070611381 Energy: 0.9423718317410538 Energy: 0.8182361990228656 Energy: 0.9208391776463634 Energy: 0.8182361990211728 Energy: 0.7665402674916253 Energy: 0.7659076941484831 Energy: 0.9206991244803587 Energy: 0.7659076941366336 minimum gb energy = 0.7650583691354007 eV minimum distance = 2.49449135141092 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.8620717300309433 Energy: 1.0122431686664584 Energy: 1.1343509057287593 Energy: 1.0122431686664584 Energy: 0.9934515095345854 Energy: 0.8812932728805286 Energy: 0.853378123404562 Energy: 0.8812932728792755 Energy: 0.8460524590418941 Energy: 0.8505380217744776 Energy: 0.8472257203900817 Energy: 0.8505380217769837 Energy: 0.9621966667553906 Energy: 0.8890513106871487 Energy: 0.8532051519018037 Energy: 0.8890513106865221 Energy: 0.961466216001532 Energy: 0.885670650544533 Energy: 0.8531931003153077 Energy: 0.885670650544533 Energy: 0.8511145759206323 Energy: 0.8503309245834749 Energy: 0.9680944309834719 Energy: 0.8503309245841015 Energy: 1.1345377802761827 Energy: 0.8815723663294909 Energy: 0.8516897669928621 Energy: 0.8815723663294909 Energy: 0.8485762018592692 Energy: 0.9102413366104216 Energy: 0.9695834927627608 Energy: 0.9102413366116746 Energy: 0.8466144745212495 Energy: 0.8992870011333913 Energy: 0.8462948590999626 Energy: 0.8992870011358974 Energy: 0.8451406535732473 Energy: 0.8815581798367152 Energy: 0.8471558426312037 Energy: 0.8815581798360888 Energy: 0.8485308950321104 Energy: 0.9344578451313993 Energy: 1.125238038435585 Energy: 0.9344578451320258 Energy: 0.9831211908334961 Energy: 1.025765541093834 Energy: 0.8479877469063491 Energy: 1.0257655410932076 Energy: 0.8465250650171326 Energy: 0.941856099312059 Energy: 1.0449024250083712 Energy: 0.941856099312059 Energy: 0.9697200309066397 Energy: 1.017058580946703 Energy: 0.8551769735399486 Energy: 1.017058580946703 Energy: 0.8496903944712655 Energy: 0.94007679913849 Energy: 0.9647047435789676 Energy: 0.9400767991378635 Energy: 0.8474620522274359 Energy: 0.8998439218624558 Energy: 0.9648207702600002 Energy: 0.8998439218624558 Energy: 0.9073473562959914 Energy: 0.8605651062293992 Energy: 0.8494534966176476 Energy: 0.8605651062287727 Energy: 0.8493975653997418 Energy: 0.8810262755685291 Energy: 0.9591932368322917 Energy: 0.8810262755685291 Energy: 0.9608299458534508 Energy: 0.9423032832702938 Energy: 0.8484978104577355 Energy: 0.9423032832702938 Energy: 0.849080141258815 Energy: 0.8889351455714403 Energy: 0.9186014723559566 Energy: 0.8889351455701872 Energy: 0.9652706684302942 Energy: 0.8867961683254593 Energy: 0.9618101709511798 Energy: 0.8867961683292184 Energy: 0.9264817910729138 Energy: 0.8541089263568217 Energy: 0.8464053518531311 Energy: 0.8541089263580747 Energy: 0.8460522106334033 Energy: 0.9414098407644909 Energy: 0.8488058930376597 Energy: 0.9414098407638645 Energy: 1.124160394923832 Energy: 0.939057377371512 Energy: 0.8484233850660496 Energy: 0.9390573773721385 Energy: 0.8514328362318899 Energy: 1.010972732514055 Energy: 1.075075504986706 Energy: 1.010972732514055 Energy: 0.9089831737624522 Energy: 0.8491422004224657 Energy: 0.8461711576418096 Energy: 0.8491422004249717 Energy: 0.9659137183030977 Energy: 0.9423498964069423 Energy: 0.9638810292735839 Energy: 0.9423498964075687 Energy: 0.8546174893699551 Energy: 0.9402107603796297 Energy: 0.9650742073077 Energy: 0.940210760379003 Energy: 0.9090537428789999 Energy: 0.8529765567831953 Energy: 0.8465083251303256 Energy: 0.8529765567831953 Energy: 0.8527803694220097 Energy: 1.0095329352428113 Energy: 1.0742249050041708 Energy: 1.009532935242185 Energy: 1.0614519538828595 Energy: 0.9397185281027653 Energy: 0.8487741859126384 Energy: 0.9397185281027653 Energy: 0.8462410847623958 Energy: 0.8821496492423737 Energy: 0.8473211399722618 Energy: 0.8821496492430003 Energy: 0.8468536615181949 Energy: 0.854497279726499 Energy: 0.8464720987882473 Energy: 0.854497279725246 Energy: 0.968098774933598 Energy: 1.0119881742329704 Energy: 0.9616840431722634 Energy: 1.011988174232344 Energy: 0.8561760508060858 Energy: 0.990637394577152 Energy: 1.135713395561045 Energy: 0.9906373945784052 minimum gb energy = 0.8451406535732473 eV minimum distance = 2.4593059668824 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.9306436460389398 Energy: 0.8635211831798283 Energy: 1.1119951258180067 Energy: 0.8635211831798283 Energy: 0.9256249088477 Energy: 0.9098051154763158 Energy: 0.8553046593664931 Energy: 0.9098051154763158 Energy: 0.8551159266306273 Energy: 0.8939210376116807 Energy: 0.8486536360546472 Energy: 0.8939210376106868 Energy: 0.8505533644029674 Energy: 0.8653540298002215 Energy: 0.8668970074807685 Energy: 0.8653540297992275 Energy: 0.9100705587021215 Energy: 0.9102464452032818 Energy: 0.8488832789518382 Energy: 0.9102464452022878 Energy: 0.8638302124328774 Energy: 0.8495266878340377 Energy: 1.054619446164472 Energy: 0.8495266878350318 Energy: 1.121919973507374 Energy: 0.9741034038617448 Energy: 0.857514244157319 Energy: 0.9741034038617448 Energy: 0.8528379735868529 Energy: 0.8499887481149863 Energy: 1.0425245857066199 Energy: 0.8499887481149863 Energy: 1.0903939255837216 Energy: 0.8482075800239655 Energy: 0.8485320819683851 Energy: 0.8482075800229714 Energy: 0.8544315538979149 Energy: 0.9028221626155234 Energy: 0.850976639393907 Energy: 0.9028221626155234 Energy: 0.85242520777767 Energy: 0.8482653232556618 Energy: 1.0426906639419964 Energy: 0.8482653232556618 Energy: 0.9682455389746312 Energy: 0.8560200979182708 Energy: 0.8505945621960266 Energy: 0.8560200979192648 Energy: 0.8629015287820581 Energy: 0.8955216518700879 Energy: 1.0086682486483607 Energy: 0.8955216518690939 Energy: 1.0676108102427744 Energy: 0.9006055366593417 Energy: 0.8650957202388984 Energy: 0.9006055366583704 Energy: 0.8505605382579018 Energy: 0.8816888349994976 Energy: 1.0221695060250247 Energy: 0.8816888350004917 Energy: 1.0401235645253082 Energy: 0.8484077291004845 Energy: 0.8535346233853722 Energy: 0.8484077290984964 Energy: 0.9158627801020146 Energy: 0.9110003278219915 Energy: 0.8561380797807538 Energy: 0.9110003278209975 Energy: 0.9142399990857941 Energy: 0.941688174065753 Energy: 0.8580366091944662 Energy: 0.941688174067741 Energy: 0.9671818813497143 Energy: 0.8566099205255002 Energy: 0.8544371791630972 Energy: 0.8566099205245061 Energy: 0.8592982529331539 Energy: 0.9214452737672286 Energy: 1.068475070613868 Energy: 0.9214452737672286 Energy: 1.081555263855237 Energy: 0.8948675202349272 Energy: 0.8632962651853721 Energy: 0.8948675202339332 Energy: 0.8668944315580858 Energy: 0.907924226620572 Energy: 0.9700705513152421 Energy: 0.907924226620572 minimum gb energy = 0.8482075800229714 eV minimum distance = 2.46009344344071 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.8887094280140517 Energy: 0.8818810024237129 Energy: 1.1238390748903326 Energy: 0.8818810024159811 Energy: 1.0766150195878117 Energy: 0.8984603295552398 Energy: 0.8495188293182672 Energy: 0.898460329553834 Energy: 0.8557507836291217 Energy: 0.8795840823482096 Energy: 0.8860679793372505 Energy: 0.8795840823496154 Energy: 0.8880629212477207 Energy: 0.9193880581729429 Energy: 0.8598528373593819 Energy: 0.9193880581743487 Energy: 0.8522639847442431 Energy: 0.9046398669868608 Energy: 0.8626735831948736 Energy: 0.9046398669826434 Energy: 0.854585864141103 Energy: 0.8778418021408013 Energy: 1.0656950952802602 Energy: 0.8778418021415043 Energy: 0.9767881485929147 Energy: 0.9522524289464865 Energy: 0.8692425510057455 Energy: 0.9522524289478923 Energy: 0.8545259695584638 Energy: 0.8778943112722374 Energy: 1.121306037242791 Energy: 0.877894311269426 Energy: 0.9775890204262637 Energy: 0.9110145515782287 Energy: 0.8606756443865987 Energy: 0.9110145515775261 Energy: 0.846774001047706 Energy: 0.9245964145097486 Energy: 0.9604975949646131 Energy: 0.9245964145083428 Energy: 0.8862446773510058 Energy: 0.9531404212173638 Energy: 0.881841013326321 Energy: 0.9531404212159579 Energy: 0.8808512726735541 Energy: 0.9051100570165762 Energy: 0.8846650280321999 Energy: 0.905110057018685 Energy: 0.8765133834422513 Energy: 0.8773291232036914 Energy: 0.8919287605735523 Energy: 0.8773291232043944 Energy: 0.874659081983682 Energy: 0.8754106371136171 Energy: 0.8800734521470763 Energy: 0.8754106371136171 Energy: 0.8445633838683735 Energy: 1.0084507389412312 Energy: 0.9750822541670461 Energy: 1.0084507389461512 Energy: 1.1492370554986178 Energy: 0.8773565315724026 Energy: 0.8650557763239018 Energy: 0.8773565315724026 Energy: 0.844357474619027 Energy: 0.9003670457790705 Energy: 0.9710122701987152 Energy: 0.9003670457790705 Energy: 0.8627706155866991 Energy: 0.9142934306984969 Energy: 0.8824056393167832 Energy: 0.9142934306935766 Energy: 0.8443998950595204 Energy: 0.9542270760426509 Energy: 0.8844673703167074 Energy: 0.9542270760405421 Energy: 0.8463586632725468 Energy: 0.9039456948502204 Energy: 0.8822819913383851 Energy: 0.903945694846003 Energy: 0.8860195724277161 Energy: 0.8804141515818881 Energy: 0.8606393739148808 Energy: 0.8804141515839967 Energy: 0.8539824107747715 Energy: 0.8778641140442732 Energy: 0.96471151425553 Energy: 0.8778641140463819 Energy: 1.0796019299356567 Energy: 0.9123426308032896 Energy: 0.8793359522998839 Energy: 0.9123426308096156 Energy: 0.8788981579430785 Energy: 0.8774438468066829 Energy: 1.0587307974563853 Energy: 0.8774438468045743 Energy: 0.8784369390006334 Energy: 0.904068558405817 Energy: 0.881351126834594 Energy: 0.904068558405817 Energy: 0.8850601086528184 Energy: 0.8780699551387056 Energy: 0.8818535781292189 Energy: 0.8780699551450317 Energy: 0.8547957419609153 Energy: 0.9225100435471447 Energy: 0.9643500331356845 Energy: 0.9225100435506592 Energy: 0.892409522132973 Energy: 0.9007991688591981 Energy: 0.8600474041936502 Energy: 0.9007991688634155 Energy: 0.8588349900886847 Energy: 0.8833110170398155 Energy: 1.015845661997126 Energy: 0.8833110170348953 Energy: 0.8918005649827178 Energy: 0.8865949842939096 Energy: 0.8494968645653078 Energy: 0.8865949842939096 Energy: 0.8590288362590669 Energy: 0.88369140626793 Energy: 1.028402695382216 Energy: 0.8836914062623389 minimum gb energy = 0.844357474619027 eV minimum distance = 2.44448232708936 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.8369035164204149 Energy: 0.842245717892998 Energy: 0.8990409828408134 Energy: 0.8422457178932428 Energy: 0.8169409062150212 Energy: 0.8377940937334242 Energy: 0.8378750299739591 Energy: 0.8377940937334242 Energy: 0.8182312282450755 Energy: 0.8898522593596111 Energy: 0.8989557060440035 Energy: 0.8898522593600736 Energy: 0.8369204014025922 Energy: 0.8104757944289532 Energy: 0.8391573964475445 Energy: 0.8104757944256071 Energy: 0.8373372616124869 Energy: 0.8539553163240128 Energy: 0.8998144078567073 Energy: 0.8539553163247201 Energy: 0.836120554591579 Energy: 0.8683082248155617 Energy: 0.8359321061851699 Energy: 0.8683082248136574 Energy: 0.8179299201816119 Energy: 0.8538467646416094 Energy: 0.837172793045454 Energy: 0.8538467646418542 Energy: 0.8380412142276903 Energy: 0.8105357424401608 Energy: 0.8388820318399276 Energy: 0.810535742437277 Energy: 0.8996743087929243 Energy: 0.8900325792321014 Energy: 0.8433249399674392 Energy: 0.8900325792323464 minimum gb energy = 0.8104757944256071 eV minimum distance = 2.52780782545136 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.8415816169281136 Energy: 0.850595168452758 Energy: 0.8700749569956818 Energy: 0.8505951684487741 Energy: 0.8305499538099363 Energy: 0.8728142757774887 Energy: 0.7938899638935207 Energy: 0.8728142757814725 Energy: 0.8005007170329902 Energy: 0.851937577786522 Energy: 0.9590581861143911 Energy: 0.8519375777871859 Energy: 0.8213371254721272 Energy: 0.8664036265131467 Energy: 0.8202581132504478 Energy: 0.8664036265131467 Energy: 0.8123494101886639 Energy: 0.8743726106771472 Energy: 0.950968687992522 Energy: 0.8743726106778112 Energy: 0.850284900102983 Energy: 0.8587096143541588 Energy: 0.8107537349785826 Energy: 0.8587096143568148 Energy: 0.816448584670082 Energy: 0.877015911119183 Energy: 0.8102945589591424 Energy: 0.8770159111231668 Energy: 0.8145120071057467 Energy: 0.8585270496150423 Energy: 0.8008797397412166 Energy: 0.8585270496117225 Energy: 0.826534180214242 Energy: 0.8705183242417096 Energy: 0.7998876874613474 Energy: 0.8705183242410457 Energy: 0.8238360889568466 Energy: 0.8680428551326749 Energy: 0.8277351465981583 Energy: 0.8680428551333388 Energy: 0.8171469136531442 Energy: 0.8597182959035561 Energy: 0.801778857295738 Energy: 0.8597182959002363 Energy: 0.8070547771821382 Energy: 0.8597363473156765 Energy: 0.9316545257753656 Energy: 0.8597363473156765 Energy: 0.8561274206260544 Energy: 0.8571384658389387 Energy: 0.8414368276225478 Energy: 0.8571384658415947 Energy: 0.8072375472185178 Energy: 0.859396458825696 Energy: 0.8711037883926056 Energy: 0.859396458825696 Energy: 0.8926964668352639 Energy: 0.8679302072553456 Energy: 0.8014862271255386 Energy: 0.8679302072526898 Energy: 0.8249135705811051 Energy: 0.8416277035284098 Energy: 0.90089683272951 Energy: 0.8416277035290737 Energy: 0.9536884734844867 Energy: 0.8784116281336712 Energy: 0.8066119906309996 Energy: 0.8784116281330072 Energy: 0.8114050844055704 Energy: 0.8579030009049501 Energy: 0.9116161959385959 Energy: 0.8579030009049501 Energy: 0.8175185341410655 Energy: 0.8772953000632617 Energy: 0.8119013944698092 Energy: 0.8772953000665816 Energy: 0.7991274070889115 Energy: 0.8911981152548737 Energy: 0.852143138359153 Energy: 0.8911981152581936 Energy: 0.7962035753199774 Energy: 0.9205497870627135 Energy: 0.82138281732632 Energy: 0.9205497870653693 Energy: 0.8164610809497772 Energy: 0.8671465397177855 Energy: 0.8273356212245571 Energy: 0.8671465397164576 Energy: 0.7964805492101965 Energy: 0.8598002164911579 Energy: 0.7961066983498455 Energy: 0.859800216488502 Energy: 0.9304927812473586 Energy: 0.8463953984800088 Energy: 0.798178357001569 Energy: 0.8463953984806729 Energy: 0.9254124327791557 Energy: 0.8279833514207241 Energy: 0.801387334342866 Energy: 0.827983351422052 Energy: 0.8372968303767835 Energy: 0.8599790242320434 Energy: 0.8078927399168032 Energy: 0.8599790242346994 Energy: 0.7963896337755634 Energy: 0.8609393966246849 Energy: 0.8942724085540412 Energy: 0.8609393966240209 Energy: 0.854180218931156 Energy: 0.8750134039590244 Energy: 0.8232754520429519 Energy: 0.8750134039523847 Energy: 0.8001504299369128 Energy: 0.8719612017064529 Energy: 0.893216766272123 Energy: 0.8719612017031331 Energy: 0.8861574690325242 Energy: 0.8571961766190684 Energy: 0.810431836316122 Energy: 0.8571961766190684 Energy: 0.8110704013576775 Energy: 0.8423325240319597 Energy: 0.9086490410375452 Energy: 0.8423325240346156 Energy: 0.9517096911770148 Energy: 0.8789774301664101 Energy: 0.8046375887959534 Energy: 0.8789774301684019 Energy: 0.8282664535101889 Energy: 0.9112882456813765 Energy: 0.799454280876835 Energy: 0.9112882456840323 minimum gb energy = 0.7938899638935207 eV minimum distance = 2.45660531658781 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.8189910289591444 Energy: 0.819507245139587 Energy: 0.9168019304451406 Energy: 0.8195072451386689 Energy: 0.824711829539758 Energy: 0.8247960123783789 Energy: 0.7664952436980487 Energy: 0.8247960123792969 Energy: 0.7545211888070982 Energy: 0.8193489462706761 Energy: 1.0452549796903787 Energy: 0.8193489462706761 Energy: 0.8163039815328781 Energy: 0.8436175391683101 Energy: 0.7599842700170473 Energy: 0.8436175391683101 Energy: 0.7550070240086615 Energy: 0.8804126662294638 Energy: 0.7965191730126031 Energy: 0.8804126662303818 Energy: 0.7526561769628121 Energy: 0.9175962629857075 Energy: 0.7599406762970367 Energy: 0.9175962629847894 Energy: 0.7549507090993427 Energy: 0.8792934683054439 Energy: 0.7869051983345832 Energy: 0.8792934683054439 Energy: 0.7548341348240829 Energy: 0.8222494102306247 Energy: 0.8063078104651464 Energy: 0.8222494102315429 Energy: 0.8201502530649771 Energy: 0.8031734430789219 Energy: 0.8120589495583211 Energy: 0.8031734430780039 Energy: 0.8200261211206766 Energy: 0.8031518671233203 Energy: 0.7922657140860003 Energy: 0.8031518671242384 Energy: 0.7551009678135976 Energy: 0.8222337284086689 Energy: 0.8382462187222827 Energy: 0.822233728409587 Energy: 0.7549529680083912 Energy: 0.8793266406395156 Energy: 0.7924836142545609 Energy: 0.8793266406395156 Energy: 0.7522064798492748 Energy: 0.9174995398805288 Energy: 0.7599315687899959 Energy: 0.9174995398777748 Energy: 0.7549428541898825 Energy: 0.8802910425690699 Energy: 0.8209886664137841 Energy: 0.8802910425681517 Energy: 0.816198200323249 Energy: 0.8435563386464731 Energy: 0.7597785922752265 Energy: 0.843556338644637 Energy: 0.7545329804256115 Energy: 0.8194931599200246 Energy: 0.861272507408608 Energy: 0.8194931599191064 Energy: 0.8246341421809126 Energy: 0.8253127238536607 Energy: 0.7632569033648615 Energy: 0.8253127238564149 Energy: 0.8189910289582264 Energy: 0.819507245139587 Energy: 0.9612512513594017 Energy: 0.819507245139587 Energy: 0.824711829539758 Energy: 0.8247960123792969 Energy: 0.7664952436971305 Energy: 0.8247960123792969 Energy: 0.7545211888061801 Energy: 0.8193489462706761 Energy: 1.0452549796903787 Energy: 0.8193489462697581 Energy: 0.8163039815328781 Energy: 0.8436175391683101 Energy: 0.7599842700161293 Energy: 0.8436175391683101 Energy: 0.7550070240086615 Energy: 0.8804126662294638 Energy: 0.7965191730383081 Energy: 0.8804126662303818 Energy: 0.752656176961894 Energy: 0.9175962629857075 Energy: 0.7599406762970367 Energy: 0.9175962629866254 Energy: 0.7549507090993427 Energy: 0.8792934683054439 Energy: 0.786905198333665 Energy: 0.8792934683054439 minimum gb energy = 0.7522064798492748 eV minimum distance = 2.46506343369939 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.8108653185095511 Energy: 0.8110413777128603 Energy: 1.009841121746797 Energy: 0.8110413777168322 Energy: 0.9335070740276206 Energy: 0.7942289472448636 Energy: 0.7697059438554005 Energy: 0.7942289472448636 Energy: 0.769485429258041 Energy: 0.8024215580397743 Energy: 0.9538908512362186 Energy: 0.8024215580397743 Energy: 0.8174981724825544 Energy: 0.885979082129752 Energy: 0.7648431080353497 Energy: 0.8859790821291845 Energy: 0.7654933730977339 Energy: 0.8510465136545908 Energy: 0.7960852940493485 Energy: 0.8510465136528884 Energy: 0.7649507084405874 Energy: 1.0260732522552314 Energy: 0.7801544668567905 Energy: 1.0260732522540965 Energy: 0.7757331708478262 Energy: 0.838445734682751 Energy: 0.8022973107845308 Energy: 0.838445734683886 Energy: 0.7634796917436216 Energy: 0.8225303462971307 Energy: 0.7701142696784113 Energy: 0.8225303462976982 Energy: 0.815514294622927 Energy: 0.7808413437440836 Energy: 0.7905827358577274 Energy: 0.780841343744651 Energy: 0.8135357195285305 Energy: 0.8136084546786919 Energy: 0.7719550788249863 Energy: 0.8136084546792594 Energy: 0.7693514593876387 Energy: 0.7981214381203725 Energy: 0.7690918828630163 Energy: 0.7981214381198051 Energy: 0.7713916077983144 Energy: 0.8255734903643173 Energy: 0.7778229370462848 Energy: 0.8255734903648847 Energy: 0.7631219978140001 Energy: 0.8063905222202873 Energy: 0.7752084963685731 Energy: 0.806390522218585 Energy: 0.7741304965592959 Energy: 0.849541025167764 Energy: 0.8291608510060701 Energy: 0.8495410251660618 Energy: 0.771768891407503 Energy: 0.8889016717346172 Energy: 0.8179040070434624 Energy: 0.8889016717351846 Energy: 0.7693201039842973 Energy: 0.8067906072198018 Energy: 0.8008260354000493 Energy: 0.8067906072203693 Energy: 0.790200260270721 Energy: 0.8908406822132469 Energy: 0.7750150771941847 Energy: 0.8908406822132469 Energy: 0.7658863332954405 Energy: 0.8116455548953921 Energy: 0.918298307356849 Energy: 0.8116455548942573 Energy: 0.9021626129653612 Energy: 0.8286068941793784 Energy: 0.769706266310196 Energy: 0.8286068941481702 Energy: 0.7759736030439753 Energy: 0.8023944601014223 Energy: 0.8318177107284486 Energy: 0.8023944601002877 Energy: 0.7823196396430869 Energy: 0.7883801642876177 Energy: 0.7670582822180624 Energy: 0.7883801642915897 Energy: 0.7658394388217213 Energy: 0.8125921164409918 Energy: 0.8726082773023903 Energy: 0.8125921164387222 Energy: 0.8016099473177369 Energy: 0.8973598159453476 Energy: 0.7774880121761695 Energy: 0.8973598159447803 Energy: 0.7697760203759892 Energy: 0.8402777159231272 Energy: 0.9277776189185298 Energy: 0.8402777159231272 Energy: 0.8042269953699603 Energy: 0.8117941982514281 Energy: 0.7675919770200273 Energy: 0.8117941982531304 Energy: 0.7765361597565921 Energy: 0.8514931592812615 Energy: 0.7837557221190808 Energy: 0.8514931592829638 Energy: 0.8946735687060063 Energy: 0.8085862406823423 Energy: 0.7699258368883993 Energy: 0.8085862406823423 Energy: 0.8217065483171379 Energy: 0.8893977939781267 Energy: 0.7695540669304329 Energy: 0.889397793979829 Energy: 0.8258004505205905 Energy: 0.8494150235272255 Energy: 0.7660638778295251 Energy: 0.849415023527793 Energy: 0.7644540061023302 Energy: 0.8062547363693497 Energy: 0.8232700077877239 Energy: 0.8062547363704846 Energy: 0.7685944210832351 Energy: 0.8497292129613236 Energy: 0.771997684617777 Energy: 0.8497292129590541 Energy: 0.7696891041697627 Energy: 0.7978520027984717 Energy: 0.7663273917771222 Energy: 0.7978520027984717 Energy: 0.7701820049135579 Energy: 0.8148117094051254 Energy: 0.9196848492307316 Energy: 0.81481170940626 Energy: 0.8245580069683635 Energy: 0.903086828810258 Energy: 0.7763218202034956 Energy: 0.9030868288130435 Energy: 0.7673106562917249 Energy: 0.8149498012008219 Energy: 0.8032475768739464 Energy: 0.8149498012008219 Energy: 0.806227769202905 Energy: 0.8396205103429004 Energy: 0.7741687972118494 Energy: 0.8396205103440353 Energy: 0.7772855973986466 Energy: 0.8119059779734298 Energy: 0.7678003389186202 Energy: 0.8119059779734298 Energy: 0.7945179928880549 Energy: 0.8523083706689399 Energy: 0.778687744184268 Energy: 0.8523083706672377 minimum gb energy = 0.7631219978140001 eV minimum distance = 2.45309853857588 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.7127800046976261 Energy: 0.7135047436742158 Energy: 0.736495673427107 Energy: 0.7135047436742158 Energy: 0.7226200937062424 Energy: 0.735104404223231 Energy: 0.7241335188572866 Energy: 0.735104404224125 Energy: 0.7223855824790062 Energy: 0.7682027772477417 Energy: 1.1656329688905487 Energy: 0.7682027772483321 Energy: 0.8747352521080886 Energy: 0.7350164465969472 Energy: 0.7240820696072053 Energy: 0.7350164465968123 Energy: 0.7223775562191161 Energy: 0.7699415909816228 Energy: 0.7142299475529769 Energy: 0.7699415909822132 Energy: 0.7224001091559085 Energy: 0.7140649671486824 Energy: 0.7158781077816202 Energy: 0.7140649671488343 Energy: 0.7226970468460981 Energy: 0.8285857203262611 Energy: 0.7143257738749352 Energy: 0.8285857203266997 Energy: 0.727886011216079 Energy: 0.7694212728017056 Energy: 0.7240462004015255 Energy: 0.7694212727944341 Energy: 0.7222215616737788 Energy: 0.7714910652587116 Energy: 0.7134576068496391 Energy: 0.7714910652587116 Energy: 0.736766385662677 Energy: 0.7143283069988187 Energy: 0.7141924848493588 Energy: 0.7143283069982281 Energy: 0.7128942836145472 Energy: 0.7354833563291596 Energy: 0.7222349777241728 Energy: 0.7354833563290246 Energy: 0.7131183626932396 Energy: 0.8256817444378689 Energy: 0.7242531124887233 Energy: 0.825681744437717 Energy: 0.7224545719868278 Energy: 0.7140062728101966 Energy: 0.714097108151949 Energy: 0.714006272809741 Energy: 0.7156366773910015 Energy: 0.7692554416363934 Energy: 0.714700086076548 Energy: 0.7692554416355162 Energy: 0.7262604845624411 Energy: 0.714155633131071 Energy: 0.7223293842903138 Energy: 0.714155633131223 minimum gb energy = 0.7127800046976261 eV minimum distance = 2.47747536206519 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.7158300245047357 Energy: 0.6897816867069667 Energy: 0.8750643008575711 Energy: 0.6897816867044777 Energy: 0.8257490311729649 Energy: 0.7050334904435208 Energy: 0.6882521533506276 Energy: 0.7050334904404093 Energy: 0.6908890521590739 Energy: 0.6903709119658905 Energy: 1.0164881670044348 Energy: 0.6903709119658905 Energy: 0.6939443061151853 Energy: 0.7053671827283174 Energy: 0.6845254404917929 Energy: 0.7053671827270729 Energy: 0.6953922108498094 Energy: 0.7351332488203768 Energy: 0.7262808723186751 Energy: 0.7351332488166431 Energy: 0.6853205534464436 Energy: 0.70604182825001 Energy: 0.7023415212354901 Energy: 0.7060418282562329 Energy: 0.6958288443316314 Energy: 0.7341099794719183 Energy: 0.7210078649676068 Energy: 0.734109979471296 Energy: 0.690389009942896 Energy: 0.7056759210484075 Energy: 0.7023288073409863 Energy: 0.705675921049652 Energy: 0.6955824211339322 Energy: 0.7335558477444171 Energy: 0.7999063149852405 Energy: 0.7335558477431726 Energy: 0.8161747098381809 Energy: 0.7478448578565471 Energy: 0.6845006320421538 Energy: 0.7478448578546802 Energy: 0.6954754073306859 Energy: 0.7484395228539904 Energy: 0.6927828961657541 Energy: 0.7484395228589686 Energy: 0.7193693373752897 Energy: 0.7477199666878032 Energy: 0.6839231054833406 Energy: 0.7477199666846919 Energy: 0.723610601988628 Energy: 0.703195769930244 Energy: 0.6914664822937933 Energy: 0.7031957699339777 Energy: 0.9339635769841634 Energy: 0.7479383456044347 Energy: 0.683441798424702 Energy: 0.7479383456087907 Energy: 0.6954571868895835 Energy: 0.6897717825906535 Energy: 0.6930980141232155 Energy: 0.6897717825912758 Energy: 0.6916695880233007 Energy: 0.7484522456642825 Energy: 0.6874758786217686 Energy: 0.7484522456624156 Energy: 0.7017681766453902 Energy: 0.730854943082757 Energy: 0.6878519476441446 Energy: 0.7308549430815123 Energy: 0.7018611095107916 Energy: 0.731505618453734 Energy: 0.711638365900028 Energy: 0.7315056184518672 Energy: 0.7019225241186842 Energy: 0.7029388501032289 Energy: 0.7114922708886344 Energy: 0.7029388501113185 Energy: 0.7020825669089699 Energy: 0.7033086104336198 Energy: 0.7116672222810239 Energy: 0.7033086104236634 Energy: 0.701324379847847 Energy: 0.7314920229610824 Energy: 0.7116570447466007 Energy: 0.7314920229629492 Energy: 0.7018621203219358 Energy: 0.7308327456963587 Energy: 0.6871083958304881 Energy: 0.7308327456963587 Energy: 0.6917166784106583 Energy: 0.7485138769113927 Energy: 0.6875158154314788 Energy: 0.7485138769151264 Energy: 0.6956476820111744 Energy: 0.6897970998049696 Energy: 0.689691955454603 Energy: 0.6897970997999914 Energy: 0.9340456637268257 Energy: 0.7480165704287863 Energy: 0.6837404697085486 Energy: 0.748016570425675 Energy: 0.7256227727644159 Energy: 0.7029725881506251 Energy: 0.6885378150035105 Energy: 0.7029725881506251 Energy: 0.7196065467989351 Energy: 0.7477228267244479 Energy: 0.6835592708080952 Energy: 0.7477228267263148 Energy: 0.6954719307163469 Energy: 0.748411517758458 Energy: 0.6898547063504858 Energy: 0.7484115177578358 Energy: 0.8161056448223148 Energy: 0.747637418021616 Energy: 0.6843641334839561 Energy: 0.7476374180259718 Energy: 0.6957292340149199 Energy: 0.73362558383039 Energy: 0.8063090315342297 Energy: 0.7336255838272786 Energy: 0.6891564844196445 Energy: 0.7055888209389574 Energy: 0.702257183907594 Energy: 0.7055888209395798 Energy: 0.6955698316362392 Energy: 0.7340964780204841 Energy: 0.8856120791248453 Energy: 0.7340964780198618 Energy: 0.6853704252480592 Energy: 0.7058752459867208 Energy: 0.7023544158721948 Energy: 0.7058752459836094 Energy: 0.6955718157331198 Energy: 0.7351670938043666 Energy: 0.8415515049926224 Energy: 0.7351670938062336 Energy: 0.6932193243983565 Energy: 0.705398964783417 Energy: 0.6845388604633348 Energy: 0.7053989647815501 minimum gb energy = 0.683441798424702 eV minimum distance = 2.48615969188957 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.7663200325984236 Energy: 0.6782577615095731 Energy: 0.6396638191029356 Energy: 0.6782577615095731 Energy: 0.769004111187558 Energy: 0.7196235466590926 Energy: 0.6405732453157307 Energy: 0.7196235466580218 Energy: 0.6545281517634812 Energy: 0.6813871766120205 Energy: 0.8542603696807464 Energy: 0.6813871766120205 Energy: 0.7217938070555493 Energy: 0.6570533349397725 Energy: 0.6438602754386581 Energy: 0.6570533349376313 Energy: 0.6426317769837031 Energy: 0.6568147309306999 Energy: 0.6691560239326851 Energy: 0.6568147309285587 Energy: 0.65004792181284 Energy: 0.7195416360363526 Energy: 0.7364066759530105 Energy: 0.7195416360363526 Energy: 0.6511768346149589 Energy: 0.7613181198707257 Energy: 0.9008565258733697 Energy: 0.7613181198707257 Energy: 0.6280589164507425 Energy: 0.6573081494103984 Energy: 0.6594672925319013 Energy: 0.6573081494103984 Energy: 0.6411032157089553 Energy: 0.7192785204661825 Energy: 0.8144959461063334 Energy: 0.7192785204661825 Energy: 0.9007832870876086 Energy: 0.7193658078534285 Energy: 0.7364052947887596 Energy: 0.7193658078534285 Energy: 0.6547029796581624 Energy: 0.7757652318510404 Energy: 0.7405863590837608 Energy: 0.7757652318499697 Energy: 0.8681687781606606 Energy: 0.6571641145886242 Energy: 0.6438948561277693 Energy: 0.6571641145886242 Energy: 0.738575862670172 Energy: 0.7203074131295917 Energy: 0.6372290576411751 Energy: 0.7203074131295917 Energy: 0.9195619629846423 Energy: 0.7478050851989674 Energy: 0.6279152018526917 Energy: 0.7478050851989674 Energy: 0.7715029735277902 Energy: 0.687778266107894 Energy: 0.6293949511708062 Energy: 0.6877782661046822 Energy: 0.770451936023535 Energy: 0.7192898566960385 Energy: 0.6400298336747144 Energy: 0.7192898566949679 Energy: 0.7384906819895289 Energy: 0.7207248724901187 Energy: 0.6296840512845118 Energy: 0.7207248724890482 Energy: 0.7366845605087974 Energy: 0.7136869658704034 Energy: 0.6428976531199088 Energy: 0.7136869658682622 Energy: 0.6427966738808572 Energy: 0.657665895573253 Energy: 0.6392030972862218 Energy: 0.657665895573253 Energy: 0.6391613373062776 Energy: 0.6580721632715225 Energy: 0.7369616866274177 Energy: 0.6580721632725931 minimum gb energy = 0.6279152018526917 eV minimum distance = 2.48845641125885 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.6104625874931192 Energy: 0.5815197718587571 Energy: 0.7434247695217667 Energy: 0.5815197718587571 Energy: 0.7353165079376406 Energy: 0.5936664426604497 Energy: 0.582739121242065 Energy: 0.5936664426604497 Energy: 0.5785976729863862 Energy: 0.5788694781026363 Energy: 0.5726733567730097 Energy: 0.5788694781026363 Energy: 0.5876438554678965 Energy: 0.5940416404040157 Energy: 0.5827241767236647 Energy: 0.5940416404040157 Energy: 0.5820219422399763 Energy: 0.5933182783556006 Energy: 0.5696937812302081 Energy: 0.5933182783564365 Energy: 0.566567506816686 Energy: 0.5939864223049258 Energy: 0.5825190183587338 Energy: 0.5939864223057618 Energy: 0.5848770955373658 Energy: 0.5791048892744081 Energy: 0.5882291485031551 Energy: 0.5791048892744081 Energy: 0.5673918589173075 Energy: 0.6111103783577586 Energy: 0.5801139389640504 Energy: 0.6111103783577586 Energy: 0.5841635441867815 Energy: 0.5939755070522528 Energy: 0.7363273945453874 Energy: 0.5939755070530887 Energy: 0.5662858013933053 Energy: 0.582003979990337 Energy: 0.6118481373184094 Energy: 0.582003979998659 Energy: 0.5844818459761544 Energy: 0.57935371302044 Energy: 0.8625914834720623 Energy: 0.57935371302044 Energy: 0.782680252556199 Energy: 0.6656520136102353 Energy: 0.5800520040864365 Energy: 0.6656520136102353 Energy: 0.5818757002560189 Energy: 0.5937742206239986 Energy: 0.7166963665766684 Energy: 0.5937742206239986 Energy: 0.7622127541679908 Energy: 0.6291611494286857 Energy: 0.5825158690067151 Energy: 0.6291611494295217 Energy: 0.5845815599030771 Energy: 0.5790782336050616 Energy: 0.5666631263510403 Energy: 0.5790782336050616 Energy: 0.7485548381674298 Energy: 0.661907823530779 Energy: 0.5835561377915113 Energy: 0.661907823530779 Energy: 0.5820979570469842 Energy: 0.6110275259612643 Energy: 0.5674815344677537 Energy: 0.6110275259604282 Energy: 0.7365712883584895 Energy: 0.5939600191158096 Energy: 0.5825332884667597 Energy: 0.5939600191149736 Energy: 0.6142008607216812 Energy: 0.5789568589419085 Energy: 0.5662765744938363 Energy: 0.5789568589410725 Energy: 0.8652056697274558 Energy: 0.6631396758285375 Energy: 0.5834096702723122 Energy: 0.6631396758293734 Energy: 0.5820085550255625 Energy: 0.6613586303326613 Energy: 0.5729530131226279 Energy: 0.6613586303326613 Energy: 0.5843528856151912 Energy: 0.593948306717277 Energy: 0.5827609807205492 Energy: 0.5939483067189492 Energy: 0.5847589105714761 Energy: 0.6295097930141111 Energy: 0.7623192830194933 Energy: 0.6295097930132751 Energy: 0.5675750872782177 Energy: 0.6620959989509893 Energy: 0.5832910865333644 Energy: 0.6620959989509893 Energy: 0.5833241720411244 Energy: 0.6623638082912079 Energy: 0.7536608532147309 Energy: 0.662363808290372 Energy: 0.5659380947135643 Energy: 0.6109202297216696 Energy: 0.5854337867326704 Energy: 0.6109202297225055 minimum gb energy = 0.5659380947135643 eV minimum distance = 2.4964324731949 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.7730520161841702 Energy: 0.5428405205975192 Energy: 0.6591342447106301 Energy: 0.5428405206002609 Energy: 0.7864555974474715 Energy: 0.5313024051991531 Energy: 0.5268196540807163 Energy: 0.5313024051991531 Energy: 0.5405373912082708 Energy: 0.5249300591629942 Energy: 0.5217256452054881 Energy: 0.5249300591629942 Energy: 0.7686000457720656 Energy: 0.532275600470473 Energy: 0.5269919307640827 Energy: 0.532275600470473 Energy: 0.5228629142755755 Energy: 0.554584805965194 Energy: 0.5190066839954165 Energy: 0.5545848059638232 Energy: 0.6440264496691673 Energy: 0.5320170100227218 Energy: 0.5269238293080767 Energy: 0.5320170100199801 Energy: 0.5260888343271647 Energy: 0.5314524211397053 Energy: 0.5390421474468134 Energy: 0.5314524211410759 Energy: 0.5166802355106035 Energy: 0.5416531908673943 Energy: 0.5236336918813469 Energy: 0.5416531908660234 Energy: 0.5287781992848173 Energy: 0.542741016248538 Energy: 0.6620597359687972 Energy: 0.5427410162492234 Energy: 0.5231648853905133 Energy: 0.5256875548249215 Energy: 0.5414052568933366 Energy: 0.5256875548235507 Energy: 0.5261772483441068 Energy: 0.5314333079846582 Energy: 0.8760349434498736 Energy: 0.531433307986029 Energy: 0.5168530143989631 Energy: 0.5434545660200887 Energy: 0.7737046597264942 Energy: 0.5434545660207742 Energy: 0.529265833735909 Energy: 0.5851401908330508 Energy: 0.8743686690138576 Energy: 0.5851401908762301 Energy: 0.632203692319013 Energy: 0.582749152403716 Energy: 0.541400261732928 Energy: 0.5827491524084826 Energy: 0.5261477185794095 Energy: 0.5315401644664128 Energy: 0.7656626178885417 Energy: 0.5315401644664128 Energy: 0.6847238622137558 Energy: 0.5441659360749516 Energy: 0.5238084818867559 Energy: 0.5441659360749516 Energy: 0.5289265770627954 Energy: 0.582186259786557 Energy: 0.6413559925327424 Energy: 0.582186259786557 Energy: 0.6837850668775481 Energy: 0.5866290931168159 Energy: 0.5269457247501369 Energy: 0.5866290931181867 Energy: 0.5261897600510175 Energy: 0.541377380589123 Energy: 0.5167181631826882 Energy: 0.5413773805863814 Energy: 0.6725059465954066 Energy: 0.5431510897643147 Energy: 0.5292994247906047 Energy: 0.5431510897643147 Energy: 0.5438859111083449 Energy: 0.5819172012560918 Energy: 0.517947520457816 Energy: 0.5819172012499234 Energy: 0.8730704871182617 Energy: 0.5948535235019144 Energy: 0.5270588817510802 Energy: 0.5948535235019144 Energy: 0.7751174031804597 Energy: 0.5413510384765462 Energy: 0.5168971025071388 Energy: 0.5413510384772315 Energy: 0.7867048419200916 Energy: 0.5431608090415372 Energy: 0.5289083165204317 Energy: 0.543160809033998 Energy: 0.5438021846899018 Energy: 0.5837340038220347 Energy: 0.5179406827498706 Energy: 0.5837340038227202 Energy: 0.7732682436871884 Energy: 0.554592141270927 Energy: 0.5270140277528228 Energy: 0.5545921412681856 Energy: 0.5261104274009633 Energy: 0.5417429532539817 Energy: 0.6849596545285255 Energy: 0.5417429532567232 Energy: 0.5293953540119978 Energy: 0.5819473021389656 Energy: 0.5292465051372977 Energy: 0.581947302139651 Energy: 0.529149349420482 Energy: 0.5836023965497784 Energy: 0.6762691071044393 Energy: 0.583602396550464 Energy: 0.5263544772462406 Energy: 0.6103088987672232 Energy: 0.5296469252760404 Energy: 0.6103088987336704 Energy: 0.5317404059814999 Energy: 0.5415652059296532 Energy: 0.6747992663977312 Energy: 0.5415652059289677 Energy: 0.5167185318779791 Energy: 0.5819667087582815 Energy: 0.5460737224834376 Energy: 0.5819667087582815 minimum gb energy = 0.5166802355106035 eV minimum distance = 2.48646468021637 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.7002746236778541 Energy: 0.4955603019496131 Energy: 0.48667628478385316 Energy: 0.495560301951355 Energy: 0.8006138396831802 Energy: 0.49286236264982736 Energy: 0.4934543679120045 Energy: 0.49286236265621414 Energy: 0.5080594098974641 Energy: 0.4925518002735772 Energy: 0.4814623385579059 Energy: 0.4925518002741578 Energy: 0.7098434598831256 Energy: 0.49353673491317895 Energy: 0.4936257353038962 Energy: 0.49353673491550143 Energy: 0.49106756372248916 Energy: 0.5344094329316826 Energy: 0.7355442450788681 Energy: 0.534409432928199 Energy: 0.6896520354032918 Energy: 0.49209932428234887 Energy: 0.4936058848443701 Energy: 0.49209932431074643 Energy: 0.4932134556388925 Energy: 0.5008903142518436 Energy: 0.4966639300763661 Energy: 0.500890314255908 Energy: 0.5842310003295086 Energy: 0.5005250822412383 Energy: 0.49342656686417824 Energy: 0.5005250822412383 Energy: 0.4950819742972916 Energy: 0.5016803830025912 Energy: 0.60514627917779 Energy: 0.5016803830002687 Energy: 0.4774432974892864 Energy: 0.4919517386927703 Energy: 0.4914251377213714 Energy: 0.4919517386945122 Energy: 0.49319321208531414 Energy: 0.4933279597505291 Energy: 0.7095684771377575 Energy: 0.49332795975169036 Energy: 0.48216768672667454 Energy: 0.49311461513574806 Energy: 0.5086423433531891 Energy: 0.49311461513574806 Energy: 0.4950875597236459 Energy: 0.501842383164149 Energy: 0.8719253984938066 Energy: 0.5018423831635684 Energy: 0.4770237259110794 Energy: 0.4923482898062556 Energy: 0.7004763877962665 Energy: 0.492348289805675 Energy: 0.49305596829262366 Energy: 0.4931511734763262 Energy: 0.8795299577387099 Energy: 0.49315117347574555 Energy: 0.5925656589655423 Energy: 0.493007972912812 Energy: 0.5086249533828742 Energy: 0.4930079729116508 Energy: 0.4952751731181328 Energy: 0.5011375283121117 Energy: 0.7905357617324434 Energy: 0.5011375283103698 Energy: 0.62112401977246 Energy: 0.5291589096369597 Energy: 0.4915700411113513 Energy: 0.5291589096375403 Energy: 0.49303624131312274 Energy: 0.4917273679400905 Energy: 0.6891846540907992 Energy: 0.49172736793776795 Energy: 0.6276185132725972 Energy: 0.49319747291101573 Energy: 0.49358058792258047 Energy: 0.4931974729115964 Energy: 0.4951673648035 Energy: 0.5093434938860227 Energy: 0.5854968323429384 Energy: 0.5093434938785275 Energy: 0.6250894516675356 Energy: 0.4999323598029111 Energy: 0.49750631475662305 Energy: 0.49993235980465306 Energy: 0.4931256799703507 Energy: 0.4916920516396134 Energy: 0.4773770367494308 Energy: 0.4916920516425165 Energy: 0.8243117125922507 Energy: 0.4926830931600174 Energy: 0.4935267734575118 Energy: 0.4926830931571143 Energy: 0.5099847331881684 Energy: 0.5088729092399856 Energy: 0.4783843973583275 Energy: 0.5088729092428887 Energy: 0.7989658191420582 Energy: 0.4997641096775461 Energy: 0.4974527959319019 Energy: 0.49976410968915846 Energy: 0.7024897076777358 Energy: 0.4922744873121654 Energy: 0.4771822679852286 Energy: 0.4922744873086817 Energy: 0.8775744173208095 Energy: 0.4934631697197424 Energy: 0.493478321853685 Energy: 0.49346316971509746 Energy: 0.5100494140848371 Energy: 0.5474041466362762 Energy: 0.48446810221226805 Energy: 0.5474041466351149 Energy: 0.7087637138922632 Energy: 0.5011215540575314 Energy: 0.49767323867655605 Energy: 0.5011215540575314 Energy: 0.4929580831158347 Energy: 0.531214691983533 Energy: 0.622446099857805 Energy: 0.5312146919829525 Energy: 0.7012344456380463 Energy: 0.49173059451773266 Energy: 0.4934641193156478 Energy: 0.49173059451831325 Energy: 0.4948919205870058 Energy: 0.5471040193935518 Energy: 0.6243774537865858 Energy: 0.5471040193999386 Energy: 0.4954800202351222 Energy: 0.514717657776676 Energy: 0.49745539924231147 Energy: 0.5147176577726116 Energy: 0.49064095327438473 Energy: 0.5320634836662664 Energy: 0.6150424350040502 Energy: 0.5320634836598795 Energy: 0.4772736014572411 Energy: 0.4918297507527696 Energy: 0.49552024854498133 Energy: 0.49182975075509205 Energy: 0.49497286070159097 Energy: 0.5479905845410824 Energy: 0.8210396911683625 Energy: 0.5479905845410824 minimum gb energy = 0.4770237259110794 eV minimum distance = 2.48741377184273 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.6566848555789905 Energy: 0.47943070982143643 Energy: 0.4362561222535062 Energy: 0.47943070982294717 Energy: 0.8088429868149313 Energy: 0.4750346432114783 Energy: 0.45325074557264816 Energy: 0.4750346432114783 Energy: 0.6315390597647219 Energy: 0.47498552757724444 Energy: 0.43543190606436877 Energy: 0.47498552757674084 Energy: 0.7822808306949078 Energy: 0.4749541950335832 Energy: 0.4532614612126963 Energy: 0.47495419503106534 Energy: 0.4736992131425091 Energy: 0.45199657382134334 Energy: 0.4316388597200088 Energy: 0.45199657382083974 Energy: 0.7000881230397114 Energy: 0.475051936694726 Energy: 0.4532363035916539 Energy: 0.4750519366942225 Energy: 0.45063302333213795 Energy: 0.4890306089349279 Energy: 0.4686992338373354 Energy: 0.4890306089349279 Energy: 0.6171374912411804 Energy: 0.4737570893856433 Energy: 0.45321858635018664 Energy: 0.4737570893856433 Energy: 0.4527515403892681 Energy: 0.4620143228832775 Energy: 0.5614902622521621 Energy: 0.462014322887306 Energy: 0.5247266852925648 Energy: 0.4890351207722112 Energy: 0.4511335865740641 Energy: 0.4890351207727147 Energy: 0.4534760481000279 Energy: 0.47494447667283396 Energy: 0.6547574739052261 Energy: 0.4749444766733375 Energy: 0.43217962231455287 Energy: 0.4738632437436041 Energy: 0.4742443360215745 Energy: 0.47386324374410776 Energy: 0.4528318610497928 Energy: 0.46168552155810244 Energy: 0.7307193244462259 Energy: 0.46168552155759884 Energy: 0.435457131091379 Energy: 0.47516490307989584 Energy: 0.6321303309139672 Energy: 0.47516490308039944 Energy: 0.4533213702437832 Energy: 0.47500881424201374 Energy: 0.8592501871473704 Energy: 0.47500881424100666 Energy: 0.4317252673867762 Energy: 0.47905929828997385 Energy: 0.6574651167688993 Energy: 0.47905929828997385 Energy: 0.45273670187969645 Energy: 0.46166864001796326 Energy: 0.8588339315107305 Energy: 0.4616686400199776 Energy: 0.5104143219457546 Energy: 0.47532850860602127 Energy: 0.6321604526527558 Energy: 0.47532850860652487 Energy: 0.45345736726538755 Energy: 0.47492217079161675 Energy: 0.7817918584683244 Energy: 0.4749221707921204 Energy: 0.5568275105531875 Energy: 0.4786735241072988 Energy: 0.4740617131162987 Energy: 0.4786735241047809 Energy: 0.4527675407384248 Energy: 0.4616524037880105 Energy: 0.6999410542105267 Energy: 0.4616524037880105 Energy: 0.5530796011208113 Energy: 0.4752269948182919 Energy: 0.451179535786417 Energy: 0.47522699481678116 Energy: 0.45339070601749537 Energy: 0.4737953697665752 Energy: 0.6172023719765133 Energy: 0.4737953697665752 Energy: 0.5537096174586823 Energy: 0.48856030449368704 Energy: 0.4533384929891258 Energy: 0.48856030449519766 Energy: 0.4527504511798701 Energy: 0.4738895423369279 Energy: 0.5242145535556442 Energy: 0.4738895423364244 Energy: 0.7317748139730194 Energy: 0.47547500897379213 Energy: 0.4546600566457967 Energy: 0.4754750089747993 Energy: 0.4756950586595606 Energy: 0.4737226087067569 Energy: 0.43215684725445114 Energy: 0.4737226087062534 Energy: 0.7351618586494794 Energy: 0.4884610126140814 Energy: 0.45329956773998387 Energy: 0.4884610126135779 Energy: 0.6336578867094876 Energy: 0.47546598090397796 Energy: 0.4331684403649394 Energy: 0.4754659809044815 Energy: 0.8589312600806198 Energy: 0.4752733685856758 Energy: 0.45440387988080455 Energy: 0.4752733685856758 Energy: 0.6590297751058097 Energy: 0.47414152062538756 Energy: 0.43178290063128 Energy: 0.47414152062589116 Energy: 0.7965910438381468 Energy: 0.4887465991406774 Energy: 0.4532924588900252 Energy: 0.4887465991406774 Energy: 0.6336806333132908 Energy: 0.47531705519213 Energy: 0.43390484826948744 Energy: 0.47531705519364076 Energy: 0.7817752290505158 Energy: 0.4752455669930627 Energy: 0.4542548906247017 Energy: 0.47524556699356635 Energy: 0.4757870729647217 Energy: 0.4753047707278816 Energy: 0.5550502707754631 Energy: 0.4753047707308801 Energy: 0.6255891503419939 Energy: 0.48871079579522164 Energy: 0.45315904741782226 Energy: 0.4887107957957253 Energy: 0.4527094416200045 Energy: 0.47528942847948735 Energy: 0.5529186491409513 Energy: 0.4752894284815017 Energy: 0.6173410654895782 Energy: 0.47369408084736275 Energy: 0.45475392993507413 Energy: 0.47369408084534836 Energy: 0.4534163060332585 Energy: 0.47509309622581614 Energy: 0.5540586903550286 Energy: 0.47509309622682333 Energy: 0.4367015881504588 Energy: 0.5047522243893856 Energy: 0.45343940868430876 Energy: 0.5047522243833655 Energy: 0.452670215341636 Energy: 0.47524256515060365 Energy: 0.7313628868812422 Energy: 0.4752425651521144 Energy: 0.4320297395737111 Energy: 0.4737838810629094 Energy: 0.4764721580971684 Energy: 0.47378388106442004 Energy: 0.4534421011323815 Energy: 0.4752414055896603 Energy: 0.735522217205638 Energy: 0.4752414055896603 minimum gb energy = 0.4316388597200088 eV minimum distance = 2.4994660983113 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.0122508474796378 Energy: 0.01284297319528217 Energy: 0.6215248764297959 Energy: 0.012842973196422023 Energy: 0.6210160073839768 Energy: 0.2323105232106989 Energy: 0.23214802223563685 Energy: 0.23231052321033327 Energy: 0.0122508474796378 Energy: 0.01284297319528217 Energy: 0.6215248764225911 Energy: 0.012842973196034904 Energy: 0.6210160073847295 Energy: 0.2323105232095805 Energy: 0.23214802123602782 Energy: 0.23231052320919343 Energy: 0.0122508474796378 Energy: 0.01284297319566929 Energy: 0.6215248764214728 Energy: 0.012842973196034904 Energy: 0.6210160073847295 Energy: 0.2323105232095805 Energy: 0.2321480218618292 Energy: 0.23231052320919343 minimum gb energy = 0.0122508474796378 eV minimum distance = 2.72487021029561 Angstroms sigma value = 1