Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.917371600866318 cohesive_energy=5.770453839330309 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.023269880065681422 Energy: 0.5846917257078689 Energy: 0.9892568846110581 Energy: 0.5847172401289266 Energy: 0.023269880063549315 Energy: 0.5846917257078689 Energy: 0.3231780031984618 Energy: 0.5922470115113582 Energy: 0.02373430069278339 Energy: 1.9590176760277913 Energy: 0.02395322006906195 Energy: 0.5922470115113582 Energy: 0.02373430069278339 Energy: 1.9590176760299236 Energy: 0.023269880065681422 Energy: 0.5846917257078689 Energy: 0.9892568846110581 Energy: 0.5847172401289266 Energy: 0.023269880063549315 Energy: 0.5846917257078689 Energy: 0.3231780031984618 Energy: 0.5922470115113582 Energy: 0.02373430069278339 Energy: 1.9590176760299236 Energy: 0.02395322006906195 Energy: 0.5922470115134902 Energy: 0.02373430069278339 Energy: 1.9590176760277913 Energy: 0.023269880065681422 Energy: 0.5846917257078689 Energy: 0.3231780031984618 Energy: 0.5847172401289266 Energy: 0.023269880063549315 Energy: 0.5846917257078689 Energy: 0.3231780031984618 Energy: 0.5922470115113582 Energy: 0.02373430069278339 Energy: 1.9590176760277913 Energy: 0.02395322006906195 Energy: 0.5922470115134902 Energy: 0.02373430069278339 Energy: 1.9590176760277913 minimum gb energy = 0.023269880063549315 eV minimum distance = 2.65859842575749 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.7715074394100114 Energy: 2.0032750478971093 Energy: 1.9894710317851783 Energy: 2.0303091238372426 Energy: 1.7715074394125692 Energy: 2.0032750478971093 Energy: 1.9894710317826207 Energy: 1.6703402945393726 Energy: 1.7536333788112843 Energy: 2.037513166294334 Energy: 1.742411749879524 Energy: 1.6703402945419297 Energy: 1.753633378816494 Energy: 2.037513166291682 Energy: 1.6809346790978954 Energy: 1.7929284548523088 Energy: 2.0961169423932096 Energy: 1.7418234603096767 Energy: 1.6809346790926858 Energy: 1.7929284548548663 Energy: 2.0961169423932096 Energy: 1.8356505390031879 Energy: 1.986054839690705 Energy: 2.0619550843077707 Energy: 1.797587957171413 Energy: 1.8356505389979783 Energy: 1.9860548396880526 Energy: 2.06195508431298 Energy: 1.70597319577628 Energy: 1.6079169458089517 Energy: 2.1236924172083906 Energy: 1.7635466160263646 Energy: 1.70597319577628 Energy: 1.6079169458089517 Energy: 2.1236924172083906 Energy: 1.6778536378625275 Energy: 1.8677278652359277 Energy: 2.070557931681909 Energy: 1.7801513686469654 Energy: 1.6778536378598756 Energy: 1.8677278652411373 Energy: 2.0705579316845615 Energy: 1.6411817642365012 Energy: 1.8421240392722988 Energy: 2.122044473442289 Energy: 1.9443007714213456 Energy: 1.6411817642365012 Energy: 1.8421240392775085 Energy: 2.1320377558780623 Energy: 1.6552495136699628 Energy: 1.721558978891387 Energy: 2.1848974686651235 Energy: 1.7692045717644047 Energy: 1.655249513675172 Energy: 1.7215589788888295 Energy: 2.1848974686624714 Energy: 1.678795853858228 Energy: 1.7456825483053484 Energy: 2.1276168483313453 Energy: 1.748998552623613 Energy: 1.6787958538634373 Energy: 1.7456825483105578 Energy: 2.1276168483209266 Energy: 1.7126057678046134 Energy: 1.8421820493081702 Energy: 2.2116312361556254 Energy: 1.8366526399345835 Energy: 1.7126057678071707 Energy: 1.8421820493081702 Energy: 2.211631236160835 Energy: 1.7230865005084777 Energy: 1.7374584356462024 Energy: 1.9736015208612228 Energy: 1.7967783701000304 Energy: 1.7230865005110347 Energy: 1.7374584356462024 Energy: 1.9736015208585702 Energy: 1.7345675769345594 Energy: 1.8052919636158749 Energy: 2.102311944307007 Energy: 1.7354733333053547 Energy: 1.7345675769345594 Energy: 1.8052919636237368 Energy: 2.102311944307007 Energy: 1.8360158326797493 Energy: 1.822073453520396 Energy: 2.060884833987965 Energy: 1.76455247092061 Energy: 1.8360158326771916 Energy: 1.8220734535229535 Energy: 2.0608848339905226 Energy: 1.6482342294429735 Energy: 1.787858341609432 Energy: 2.0541766472634713 Energy: 1.6959193402953197 Energy: 1.6482342294429735 Energy: 1.78785834160678 Energy: 2.0541766472634713 Energy: 1.6697027320935407 Energy: 1.7601600387910266 Energy: 1.9809767183563722 Energy: 1.751523812939776 Energy: 1.669702732096098 Energy: 1.7601600387910266 Energy: 1.9809767183511626 Energy: 1.7235210989730165 Energy: 1.9750811853764152 Energy: 2.203629354375324 Energy: 1.9996588236367199 Energy: 1.7235210989703647 Energy: 1.9750811853789727 Energy: 2.203629354375324 Energy: 1.6622228528483491 Energy: 1.75197451275398 Energy: 1.9806001094376264 Energy: 1.7783059129259693 Energy: 1.6622228528431395 Energy: 1.7519745127565374 Energy: 1.980600109440184 Energy: 1.6935774986180017 Energy: 1.812441398138805 Energy: 2.1820352317224008 Energy: 1.7604705291135845 Energy: 1.6935774986180017 Energy: 1.812441398138805 Energy: 2.182035231725053 Energy: 1.782281656567143 Energy: 1.858792486288485 Energy: 2.086416368844049 Energy: 1.7777072442740087 Energy: 1.7822816565697004 Energy: 1.8587924862910425 Energy: 2.086416368844049 Energy: 1.6691506900142874 Energy: 1.6114233373530946 Energy: 2.1986944673435143 Energy: 1.7707530937945488 Energy: 1.6691506900142874 Energy: 1.6114233373583045 Energy: 2.1986944673461664 Energy: 1.5980889699572784 Energy: 1.8864768379243935 Energy: 2.1401402489605936 Energy: 1.691679484393191 Energy: 1.5980889699572784 Energy: 1.886476837919184 Energy: 2.1401402489658037 Energy: 1.5954541994518856 Energy: 1.8462661173911967 Energy: 2.0895154010152424 Energy: 1.9285792085019 Energy: 1.5954541994518856 Energy: 1.8462661173911967 Energy: 2.0895154010152424 Energy: 1.632074092136301 Energy: 1.7216286776595662 Energy: 2.1264541534181456 Energy: 1.7538966798191065 Energy: 1.632074092133744 Energy: 1.7216286776647756 Energy: 2.1264541534181456 Energy: 1.7346107573505245 Energy: 1.8057539752112166 Energy: 2.0622976403838855 Energy: 1.8252829340670322 Energy: 1.7346107573557341 Energy: 1.805753975216426 Energy: 2.062297640389095 Energy: 1.7100359491695798 Energy: 1.8225382159549361 Energy: 2.2008403908786685 Energy: 1.8221059324371052 Energy: 1.7100359491747892 Energy: 1.8225382159574939 Energy: 2.2008403908786685 Energy: 1.6643849875998025 Energy: 1.7873492345498867 Energy: 1.9122133650550108 Energy: 1.8441366696764612 Energy: 1.6643849875971506 Energy: 1.7873492345498867 Energy: 1.9122133650602204 Energy: 1.707389634223614 Energy: 1.826622202350632 Energy: 2.0302066703208617 Energy: 1.7983640738240314 Energy: 1.7073896342261716 Energy: 1.826622202353284 Energy: 2.0302066703208617 Energy: 1.8250900890071156 Energy: 1.9004461124946375 Energy: 2.0929161158385696 Energy: 1.9087831753285025 Energy: 1.8250900890097677 Energy: 1.9004461124919854 Energy: 2.0929161158412217 Energy: 1.6743411538661324 Energy: 1.7773786423905729 Energy: 2.056549861943699 Energy: 1.7009733051445346 Energy: 1.6743411538582706 Energy: 1.7773786423880154 Energy: 2.056549861941142 Energy: 1.6728396841124114 Energy: 1.8479226321713176 Energy: 2.0858213376179746 Energy: 1.7188220244608028 Energy: 1.672839684109759 Energy: 1.847922632176527 Energy: 2.085821337620532 Energy: 1.8146285846349501 Energy: 1.7641678958349167 Energy: 2.191824795670799 Energy: 1.9530415686229226 Energy: 1.8146285846376022 Energy: 1.7641678958349167 Energy: 2.1918247956655894 Energy: 1.6906915822172957 Energy: 1.7523937098419502 Energy: 2.042338397162489 Energy: 1.734168309107671 Energy: 1.6906915822172957 Energy: 1.7523937098445075 Energy: 2.042338397159837 Energy: 1.7145249236617042 Energy: 1.87857701435439 Energy: 2.220461951637184 Energy: 1.7369663086056994 Energy: 1.7145249236643567 Energy: 1.8785770143569478 Energy: 2.220461951637184 Energy: 1.6718883070629125 Energy: 1.8909310631263423 Energy: 2.157068060425778 Energy: 1.8382618695962272 Energy: 1.6718883070602601 Energy: 1.8909310631341094 Energy: 2.1570680604205688 Energy: 1.6127938931476793 Energy: 1.663220054632814 Energy: 2.1029091970213956 Energy: 1.7657777846819702 Energy: 1.612793893145122 Energy: 1.663220054632814 Energy: 2.102909197016186 Energy: 1.7403118501451176 Energy: 1.8002950810193492 Energy: 2.238397247273044 Energy: 1.7378890419172512 Energy: 1.7403118501451176 Energy: 1.8002950810219065 Energy: 2.2383972472678346 Energy: 1.7319197384184386 Energy: 1.7746012558211572 Energy: 2.043775089412414 Energy: 1.8115638516004895 Energy: 1.7319197384184386 Energy: 1.7746012558238096 Energy: 2.0437750894150666 Energy: 1.6078363707898244 Energy: 1.7385146177139406 Energy: 2.095638338857346 Energy: 1.793303624882405 Energy: 1.6078363707898244 Energy: 1.7385146177165929 Energy: 2.095638338859998 Energy: 1.7341485324705048 Energy: 1.8509866769466299 Energy: 2.0487148047899244 Energy: 1.7281245169251 Energy: 1.7341485324705048 Energy: 1.8509866769518395 Energy: 2.0487148047899244 Energy: 1.7194552941602685 Energy: 1.9102049903586162 Energy: 2.071242906764569 Energy: 1.9011301467232178 Energy: 1.719455294162826 Energy: 1.9102049903586162 Energy: 2.071242906764569 Energy: 1.674377837932902 Energy: 1.7477016683762527 Energy: 1.9432433213149687 Energy: 1.789220250604158 Energy: 1.674377837932902 Energy: 1.7477016683736006 Energy: 1.9432433213123166 Energy: 1.7121747658620534 Energy: 1.763312155235485 Energy: 2.035589793877758 Energy: 1.8148315793659466 Energy: 1.7121747658620534 Energy: 1.763312155235485 Energy: 2.035589793880315 Energy: 1.862386397246224 Energy: 1.769961012589139 Energy: 2.050048370529391 Energy: 1.869302095415969 Energy: 1.8623863972488763 Energy: 1.769961012589139 Energy: 2.050048370526834 Energy: 1.6559197826277665 Energy: 1.8335428038314565 Energy: 2.11421161876172 Energy: 1.759966845350529 Energy: 1.6559197826277665 Energy: 1.8335428038314565 Energy: 2.11421161876172 Energy: 1.6966534875810784 Energy: 1.7887430938200746 Energy: 2.0549227935602947 Energy: 1.752952593600636 Energy: 1.6966534875810784 Energy: 1.7887430938174225 Energy: 2.0549227935628522 Energy: 1.7492577248211325 Energy: 1.7985138210186806 Energy: 2.2625565469282534 Energy: 1.9476644815414852 Energy: 1.7492577248211325 Energy: 1.7985138210212381 Energy: 2.2625565469309055 Energy: 1.6302377607492369 Energy: 1.725488918216349 Energy: 2.077259158562443 Energy: 1.7403851488185578 Energy: 1.6302377607440275 Energy: 1.7254889182136972 Energy: 2.0772591585650955 minimum gb energy = 1.5954541994518856 eV minimum distance = 2.5005167378244 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.5978698996163092 Energy: 1.8349097198622184 Energy: 2.0923795842576185 Energy: 1.8224760684104218 Energy: 1.5978698996103957 Energy: 1.834909719865175 Energy: 2.1069588045445995 Energy: 1.5987483939747063 Energy: 1.7327176694210222 Energy: 1.9090509734204406 Energy: 1.7826827814477393 Energy: 1.5987483939806195 Energy: 1.7327176694180655 Energy: 1.9090509734204406 Energy: 1.7137274482457774 Energy: 1.7264882089661142 Energy: 1.946197531751633 Energy: 1.8290353190336999 Energy: 1.7137274482546476 Energy: 1.726488208969071 Energy: 1.9461975317545896 Energy: 1.7944123285170959 Energy: 1.71155094044974 Energy: 1.8011441827583266 Energy: 1.6987525890404116 Energy: 1.794412328514139 Energy: 1.71155094044974 Energy: 1.801144182749456 Energy: 1.8033135946929895 Energy: 1.7196852735770864 Energy: 2.0417238439648107 Energy: 1.7839301759751645 Energy: 1.803313594695946 Energy: 1.71968527357413 Energy: 2.0417238439677674 Energy: 1.6035984116787265 Energy: 1.7002307881087686 Energy: 2.175572974848882 Energy: 1.8490121604786856 Energy: 1.6035984116816833 Energy: 1.7002307881117253 Energy: 2.1755729748459247 Energy: 1.59100839897924 Energy: 2.0125194401840414 Energy: 2.238552764005129 Energy: 1.8433277568770732 Energy: 1.5910083989851536 Energy: 2.0125194401840414 Energy: 2.2817980656099177 Energy: 1.5909531437460902 Energy: 1.843832389416302 Energy: 2.251408337998741 Energy: 2.0124792958928945 Energy: 1.5909531437431337 Energy: 1.8438323894133453 Energy: 2.251408337998741 Energy: 1.6035587120286687 Energy: 1.8498746188770903 Energy: 1.9855045732904475 Energy: 1.70058583617833 Energy: 1.6035587120286687 Energy: 1.84987461886822 Energy: 2.079157967975103 Energy: 1.803198628781626 Energy: 1.7842156999156655 Energy: 1.957325999850196 Energy: 1.719599432072401 Energy: 1.8031986287786694 Energy: 1.7842156999097523 Energy: 1.6860333571883594 Energy: 1.794494811980129 Energy: 1.6991235131752593 Energy: 1.8395105551804385 Energy: 1.7030568948943559 Energy: 1.7944948119830855 Energy: 1.6991235131841294 Energy: 1.8395105551774817 Energy: 1.7139281831454682 Energy: 1.8287269073112233 Energy: 2.0358218999379236 Energy: 1.7264131044089077 Energy: 1.7139281831513278 Energy: 1.8287269073112233 Energy: 2.040779603700602 Energy: 1.6010509133243829 Energy: 1.782565100229476 Energy: 2.049383068702446 Energy: 1.732133467227187 Energy: 1.6010509133302964 Energy: 1.782565100235389 Energy: 2.049383068699489 Energy: 1.5978698996163092 Energy: 1.834909719865175 Energy: 2.0923795842546613 Energy: 1.8224760684133783 Energy: 1.5978698996103957 Energy: 1.834909719865175 Energy: 2.1069588045445995 Energy: 1.598748393977663 Energy: 1.7327176694210222 Energy: 1.909050973417484 Energy: 1.7826827814506423 Energy: 1.5987483939806195 Energy: 1.7327176694180655 Energy: 1.9090509734204406 Energy: 1.7137274482457774 Energy: 1.7264882089661142 Energy: 1.946197531751633 Energy: 1.8290353190336999 Energy: 1.7137274482546476 Energy: 1.7264882089661142 Energy: 1.9461975317545896 Energy: 1.7944123285170959 Energy: 1.71155094044974 Energy: 1.9034012150119504 Energy: 1.6987525890404116 Energy: 1.794412328514139 Energy: 1.71155094044974 Energy: 1.8011441827553698 Energy: 1.8033135946929895 Energy: 1.7196852735770864 Energy: 2.0417238439648107 Energy: 1.7839301759722077 Energy: 1.803313594695946 Energy: 1.71968527357413 Energy: 2.0417238439677674 Energy: 1.6035984116787265 Energy: 1.7002307881087686 Energy: 2.175572974848882 Energy: 1.8490121604786856 Energy: 1.6035984116816833 Energy: 1.7002307881087686 Energy: 2.1755729748459247 Energy: 1.591008398982197 Energy: 2.0125194401840414 Energy: 2.238552764005129 Energy: 1.8433277568770732 Energy: 1.5910083989851536 Energy: 2.0125194401840414 Energy: 2.238552764008032 Energy: 1.5909531437460902 Energy: 1.843832389416302 Energy: 2.2142321740900157 Energy: 2.0124792958928945 Energy: 1.5909531437431337 Energy: 1.8438323894133453 Energy: 2.2142321740900157 Energy: 1.6035587120286687 Energy: 1.8498746188770903 Energy: 2.0791579679780603 Energy: 1.70058583617833 Energy: 1.6035587120286687 Energy: 1.84987461886822 Energy: 2.0791579679721464 Energy: 1.803198628781626 Energy: 1.7842156999097523 Energy: 1.849927522718013 Energy: 1.7195994320753576 Energy: 1.8031986287786694 Energy: 1.7842156999186223 Energy: 1.6860333571912622 Energy: 1.7944948119830855 Energy: 1.6991235131870859 Energy: 1.8395105551804385 Energy: 1.7030568948943559 Energy: 1.7944948119830855 Energy: 1.6991235131841294 Energy: 1.8395105551774817 Energy: 1.7139281831454682 Energy: 1.8287269073112233 Energy: 2.040779603694689 Energy: 1.7264131044089077 Energy: 1.7139281831513278 Energy: 1.8287269073112233 Energy: 2.040779603700602 Energy: 1.6010509133243829 Energy: 1.782565100229476 Energy: 2.049383068699489 Energy: 1.732133467227187 Energy: 1.6010509133302964 Energy: 1.782565100235389 Energy: 2.0493830686965326 Energy: 1.5978698996163092 Energy: 1.8349097198622184 Energy: 2.1069588045445995 Energy: 1.8224760684074648 Energy: 1.5978698996103957 Energy: 1.834909719865175 Energy: 2.106958804547556 Energy: 1.598748393977663 Energy: 1.7327176694180655 Energy: 1.9090509734204406 Energy: 1.7826827814477393 Energy: 1.5987483939806195 Energy: 1.7327176694180655 Energy: 1.9090509734204406 Energy: 1.7137274482457774 Energy: 1.7264882089661142 Energy: 1.946197531751633 Energy: 1.8290353190336999 Energy: 1.7137274482546476 Energy: 1.7264882089661142 Energy: 1.9461975317545896 Energy: 1.7944123285170959 Energy: 1.71155094044974 Energy: 1.801144182761283 Energy: 1.698752589037455 Energy: 1.794412328514139 Energy: 1.71155094044974 Energy: 1.8011441827553698 Energy: 1.8033135946929895 Energy: 1.7196852735770864 Energy: 2.0417238439648107 Energy: 1.7839301759722077 Energy: 1.803313594695946 Energy: 1.71968527357413 Energy: 2.0417238439677674 Energy: 1.6035984116787265 Energy: 1.7002307881117253 Energy: 2.175572974848882 Energy: 1.8490121604786856 Energy: 1.6035984116816833 Energy: 1.7002307881117253 Energy: 2.1755729748459247 Energy: 1.591008398982197 Energy: 2.0125194401840414 Energy: 2.213046272116235 Energy: 1.8433277568770732 Energy: 1.5910083989851536 Energy: 2.012519440186998 Energy: 2.2130462721221487 Energy: 1.5909531437460902 Energy: 1.843832389416302 Energy: 2.2142321740900157 Energy: 2.0124792958928945 Energy: 1.5909531437431337 Energy: 1.8438323894133453 Energy: 2.2142321740900157 Energy: 1.6035587120286687 Energy: 1.8498746188770903 Energy: 2.079157967975103 Energy: 1.70058583617833 Energy: 1.6035587120286687 Energy: 1.84987461886822 Energy: 2.0791579679721464 Energy: 1.803198628781626 Energy: 1.7842156999156655 Energy: 1.6860333572001325 Energy: 1.7195994320753576 Energy: 1.8031986287786694 Energy: 1.7842156999156655 Energy: 1.6860333572119592 Energy: 1.7944948119830855 Energy: 1.6991235131841294 Energy: 1.8395105551774817 Energy: 1.7030568948943559 Energy: 1.7944948119830855 Energy: 1.6991235131929994 Energy: 1.8395105551774817 Energy: 1.7139281831454682 Energy: 1.8287269073112233 Energy: 2.040779603694689 Energy: 1.7264131044089077 Energy: 1.7139281831513278 Energy: 1.8287269073112233 Energy: 2.040779603700602 Energy: 1.6010509133243829 Energy: 1.782565100229476 Energy: 2.049383068699489 Energy: 1.732133467227187 Energy: 1.6010509133273396 Energy: 1.7825651002383462 Energy: 2.049383068699489 Energy: 1.5978698996163092 Energy: 1.8349097198592617 Energy: 2.1069588045416423 Energy: 1.8224760684104218 Energy: 1.5978698996103957 Energy: 1.834909719865175 Energy: 2.106958804547556 Energy: 1.598748393977663 Energy: 1.7327176694210222 Energy: 1.9090509734204406 Energy: 1.7826827814477393 Energy: 1.5987483939835765 Energy: 1.7327176694180655 Energy: 1.9090509734204406 minimum gb energy = 1.5909531437431337 eV minimum distance = 2.52260962706886 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.8384421185062279 Energy: 1.7680027219454924 Energy: 2.142528625349981 Energy: 1.768184222147326 Energy: 1.8384421185075936 Energy: 1.7680027219485648 Energy: 2.0456848747693472 Energy: 1.750084173685039 Energy: 1.8051319961419898 Energy: 1.9431967433515536 Energy: 1.8810593583756383 Energy: 1.7500841736864048 Energy: 1.805131996142331 Energy: 1.943196743350871 Energy: 1.7586258995651258 Energy: 1.8432485485045504 Energy: 1.9129471489515673 Energy: 1.775606602488093 Energy: 1.7586258995668331 Energy: 1.8432485485038679 Energy: 1.912947148950543 Energy: 1.7447079901813076 Energy: 1.722779374635308 Energy: 2.112898948460208 Energy: 1.7405582626822613 Energy: 1.7447079901802833 Energy: 1.7227793746366735 Energy: 2.1128989484578184 Energy: 1.7936171322860397 Energy: 1.8491956848769984 Energy: 2.1586220964376746 Energy: 1.7532898086252078 Energy: 1.7936171322860397 Energy: 1.849195684877681 Energy: 2.158622096438699 Energy: 1.7683514122446016 Energy: 1.7210129351984125 Energy: 1.9697730783951526 Energy: 1.756420390854863 Energy: 1.7683514122435773 Energy: 1.721012935197047 Energy: 1.969773078392763 Energy: 1.762147996065998 Energy: 1.9931514490341093 Energy: 2.060029995095318 Energy: 1.8403737636312436 Energy: 1.7621479960649735 Energy: 1.993151449035475 Energy: 2.039934103760719 Energy: 1.6957297051122795 Energy: 1.770414798732974 Energy: 2.2276370879400536 Energy: 1.70388654574805 Energy: 1.695729705111938 Energy: 1.7704147987333154 Energy: 2.227637087939371 Energy: 1.7576809780851343 Energy: 1.76095673422666 Energy: 2.1081018668566545 Energy: 1.9208719542580754 Energy: 1.7576809780841098 Energy: 1.7609567342263186 Energy: 2.108101866857337 Energy: 1.6927026600122739 Energy: 1.8150931205781626 Energy: 2.173667296430775 Energy: 1.9480418932216175 Energy: 1.692702660010567 Energy: 1.8150931205785041 Energy: 2.173667296432824 Energy: 1.83423298290326 Energy: 1.8615182912384534 Energy: 1.9123259864630457 Energy: 1.6878551166698388 Energy: 1.8342329829029185 Energy: 1.8615182912398187 Energy: 1.9123259864627045 Energy: 1.719296539988983 Energy: 1.8258324706787776 Energy: 2.152901328864577 Energy: 1.723782978568131 Energy: 1.7192965399893243 Energy: 1.8258324706777536 Energy: 2.152901328864918 Energy: 1.7839134286010063 Energy: 1.7259839635794152 Energy: 1.950437332508886 Energy: 1.7774368514475776 Energy: 1.7839134285989577 Energy: 1.7259839635797567 Energy: 1.9504373325082034 Energy: 1.6180644932066082 Energy: 1.8182361172051718 Energy: 2.057316051199782 Energy: 1.818255634192696 Energy: 1.6180644932079735 Energy: 1.8182361172072203 Energy: 2.0573160512011475 Energy: 1.7776369908824075 Energy: 1.7893732040783854 Energy: 1.9655009442109845 Energy: 1.7427332967455456 Energy: 1.7776369908807002 Energy: 1.789373204078044 Energy: 1.965500944210302 Energy: 1.7199512479403647 Energy: 1.7267883253138674 Energy: 2.1343372169747425 Energy: 1.826524672422022 Energy: 1.719951247941389 Energy: 1.7267883253148917 Energy: 2.1343372169767907 Energy: 1.8342271509745824 Energy: 1.687904985489785 Energy: 1.9124728368677726 Energy: 1.8609628420337514 Energy: 1.8342271509742407 Energy: 1.6879049854891022 Energy: 1.9124728368657244 Energy: 1.6926650285279363 Energy: 1.9506616216323052 Energy: 2.173705065275179 Energy: 1.8150378380479537 Energy: 1.6926650285272535 Energy: 1.950661621632988 Energy: 2.1737050652738135 Energy: 1.7575209216404124 Energy: 1.966766841980939 Energy: 2.173163301754135 Energy: 1.7609949744978797 Energy: 1.7575209216404124 Energy: 1.966766841980939 Energy: 2.1731633017568663 Energy: 1.6742072469428293 Energy: 1.7043906697611158 Energy: 2.22756173690653 Energy: 1.7704974233586273 Energy: 1.674207246941805 Energy: 1.70439066976453 Energy: 2.22756173690653 Energy: 1.7621397122232851 Energy: 1.8407577663236572 Energy: 2.095073345537741 Energy: 1.9930763125967077 Energy: 1.7621397122232851 Energy: 1.8407577663222916 Energy: 2.0728812912615564 Energy: 1.7684443268692802 Energy: 1.756836482046038 Energy: 1.9172851770272503 Energy: 1.7210681455134706 Energy: 1.7684443268679142 Energy: 1.756836482046038 Energy: 1.9172851770262263 Energy: 1.7936325624709393 Energy: 1.7511192014940942 Energy: 2.2150086332187824 Energy: 1.8489909501263757 Energy: 1.793632562471622 Energy: 1.7511192014940942 Energy: 2.2150086332184413 Energy: 1.7447203314868929 Energy: 1.7401315103976813 Energy: 2.112697227980152 Energy: 1.7113578355518195 Energy: 1.744720331488259 Energy: 1.7401315103966573 Energy: 2.1126972279794693 Energy: 1.770253486454181 Energy: 1.7756469310262764 Energy: 2.1076791832299793 Energy: 1.843720615148838 Energy: 1.7702534864514499 Energy: 1.7756469310242275 Energy: 2.0805920153500903 Energy: 1.7498245204351792 Energy: 1.8810311883791833 Energy: 1.943174140723955 Energy: 1.8050056023726069 Energy: 1.749824520434838 Energy: 1.881031188378159 Energy: 1.9431741407225893 Energy: 1.8384421185058866 Energy: 1.7680027219475405 Energy: 2.1500731736695657 Energy: 1.7681842221466435 Energy: 1.8384421185082764 Energy: 1.768002721947882 Energy: 2.1520603865743593 Energy: 1.7500841736846977 Energy: 1.805131996142331 Energy: 1.9431967433498467 Energy: 1.8810593583742725 Energy: 1.7500841736860633 Energy: 1.8051319961419898 Energy: 1.9431967433522368 Energy: 1.75862589956615 Energy: 1.8432485485045504 Energy: 1.912947148950543 Energy: 1.7756066024884345 Energy: 1.7586258995647845 Energy: 1.8432485485042092 Energy: 1.912947148950543 Energy: 1.7447079901826732 Energy: 1.7227793746373563 Energy: 2.112898948459184 Energy: 1.740558262680896 Energy: 1.7447079901802833 Energy: 1.7227793746366735 Energy: 2.1128989484578184 Energy: 1.7936171322870638 Energy: 1.8491956848773397 Energy: 2.158622096438699 Energy: 1.7532898086248665 Energy: 1.7936171322853565 Energy: 1.8491956848769984 Energy: 2.1586220964373335 Energy: 1.768351412243919 Energy: 1.7210129351987538 Energy: 1.9697730783941285 Energy: 1.756420390854863 Energy: 1.7683514122435773 Energy: 1.7210129351987538 Energy: 1.9697730783937872 Energy: 1.7621479960656568 Energy: 1.993151449035475 Energy: 2.0399341037603773 Energy: 1.8403737636302193 Energy: 1.7621479960663393 Energy: 1.9931514490344506 Energy: 2.039934103761743 Energy: 1.6957297051122795 Energy: 1.7704147987333154 Energy: 2.2276370879400536 Energy: 1.7038865457483916 Energy: 1.6957297051133036 Energy: 1.770414798732974 Energy: 2.2276370879390295 Energy: 1.7576809780844513 Energy: 1.7609567342256358 Energy: 2.0986924136139553 Energy: 1.9208719542570512 Energy: 1.757680978084793 Energy: 1.7609567342270016 Energy: 2.098692413613614 Energy: 1.69270266001125 Energy: 1.8150931205791871 Energy: 2.1736672964314576 Energy: 1.9480418932202521 Energy: 1.6927026600115913 Energy: 1.8150931205781626 Energy: 2.1736672964311166 minimum gb energy = 1.6180644932066082 eV minimum distance = 2.49947002964574 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.9260344680113537 Energy: 1.7372545533939365 Energy: 1.8673729109904547 Energy: 1.7369204759252836 Energy: 1.9260344680121595 Energy: 1.7372545533935337 Energy: 1.8673729109924693 Energy: 1.717028895938628 Energy: 1.5711118428426847 Energy: 2.1504178064930435 Energy: 1.685852760059541 Energy: 1.7170288959398368 Energy: 1.5711118428511461 Energy: 2.150417806494655 Energy: 1.925848198496906 Energy: 1.519332759572077 Energy: 2.0080082680749514 Energy: 1.705280401150423 Energy: 1.9258481984948916 Energy: 1.519332759569256 Energy: 2.0080082680753546 Energy: 1.8547965384147393 Energy: 1.5678964107426336 Energy: 1.9940024745341007 Energy: 1.8339022139313057 Energy: 1.8547965384127247 Energy: 1.5678964107442455 Energy: 1.9940024745365184 Energy: 1.7209548851158374 Energy: 1.7453756256415311 Energy: 1.8933943353034288 Energy: 1.707572352937092 Energy: 1.7209548851162402 Energy: 1.7453756256423372 Energy: 1.893394335302623 Energy: 1.8546605846991409 Energy: 1.8209568020114488 Energy: 2.322581261041274 Energy: 1.8699938991884935 Energy: 1.8546605847015583 Energy: 1.8209568020138667 Energy: 2.3225812610400647 Energy: 1.7827317165551875 Energy: 1.7564892091352264 Energy: 1.7836781337337495 Energy: 1.881825122455218 Energy: 1.78273171655559 Energy: 1.7564892091400617 Energy: 1.7610183737614804 Energy: 1.8946293995618804 Energy: 1.6779459791885956 Energy: 1.680327880380555 Energy: 1.6780648603847719 Energy: 1.8946293995594625 Energy: 1.6779459791865807 Energy: 1.680327880380555 Energy: 1.7827453264067747 Energy: 1.8816868792924895 Energy: 1.8020322320851478 Energy: 1.7556403532528553 Energy: 1.7827453264087894 Energy: 1.8816868792900718 Energy: 1.8020322320754776 Energy: 1.8547433492419054 Energy: 1.8702099084949773 Energy: 2.323094238581211 Energy: 1.8210281817421083 Energy: 1.854743349239891 Energy: 1.8702099084921568 Energy: 2.323094238580808 Energy: 1.7207559496039038 Energy: 1.707430081086522 Energy: 2.225626925264266 Energy: 1.8507427190605739 Energy: 1.7207559496055156 Energy: 1.7074300810897451 Energy: 2.204671367316856 Energy: 1.8548787927527288 Energy: 1.8339568850933792 Energy: 1.99388999030992 Energy: 1.56771639699833 Energy: 1.8548787927539379 Energy: 1.8339568850921706 Energy: 1.9938899903091143 Energy: 1.9258254551329488 Energy: 1.7067083676464254 Energy: 1.9806321653253478 Energy: 1.519497683598813 Energy: 1.9258254551321428 Energy: 1.7067083676464254 Energy: 1.8397607726900906 Energy: 1.7169436120956465 Energy: 1.6857882918698275 Energy: 2.150729238096665 Energy: 1.5652126573374285 Energy: 1.7169436120940347 Energy: 1.6857882918706333 Energy: 2.1507292380950536 Energy: 1.9260344680121595 Energy: 1.7372545533939365 Energy: 1.8673729109900516 Energy: 1.7369204759297159 Energy: 1.9260344680113537 Energy: 1.737254553391922 Energy: 1.867372910992872 Energy: 1.717028895939031 Energy: 1.571111842842282 Energy: 2.1504178064934467 Energy: 1.6858527600591382 Energy: 1.7170288959398368 Energy: 1.57111184284752 Energy: 2.1504178064934467 Energy: 1.925848198497309 Energy: 1.5193327595724797 Energy: 2.008008268078175 Energy: 1.7052804011508262 Energy: 1.9258481984961002 Energy: 1.519332759569659 Energy: 2.0080082680741453 Energy: 1.8547965384155451 Energy: 1.5678964107442455 Energy: 1.9940024745353098 Energy: 1.8339022139317087 Energy: 1.8547965384115157 Energy: 1.5678964107418278 Energy: 1.9940024745320861 Energy: 1.7209548851166434 Energy: 1.7453756256411281 Energy: 1.893394335302623 Energy: 1.707572352936689 Energy: 1.7209548851182548 Energy: 1.7453756256411281 Energy: 1.8933943353034288 Energy: 1.8546605846995439 Energy: 1.8209568020122548 Energy: 2.3225812610416767 Energy: 1.8699938991884935 Energy: 1.8546605847011555 Energy: 1.8209568020142695 Energy: 2.322581261040468 Energy: 1.7827317165551875 Energy: 1.7564892091364352 Energy: 1.7610183737643006 Energy: 1.8818251224532034 Energy: 1.7827317165559928 Energy: 1.7564892091384499 Energy: 1.7610183737606746 Energy: 1.8946293995618804 Energy: 1.6779459791853724 Energy: 1.680327880379749 Energy: 1.678064860383966 Energy: 1.8946293995602685 Energy: 1.6779459791849693 Energy: 1.6803278803813608 Energy: 1.7827453264067747 Energy: 1.8816868792912806 Energy: 1.802032232067016 Energy: 1.755640353253258 Energy: 1.7827453264083863 Energy: 1.8816868792941013 Energy: 1.8020322320593603 Energy: 1.8547433492427114 Energy: 1.8702099084949773 Energy: 2.323094238580808 Energy: 1.8210281817421083 Energy: 1.854743349239891 Energy: 1.8702099084925596 Energy: 2.323094238580808 Energy: 1.7207559496047098 Energy: 1.7074300810873277 Energy: 2.187190905010448 Energy: 1.8507427190613797 Energy: 1.7207559496047098 Energy: 1.7074300810893424 Energy: 2.187190905006419 Energy: 1.8548787927527288 Energy: 1.8339568850933792 Energy: 1.9938899903083085 Energy: 1.5677163970003447 Energy: 1.8548787927539379 Energy: 1.8339568850921706 Energy: 1.993889990310323 Energy: 1.9258254551329488 Energy: 1.7067083676472312 Energy: 1.8397607726369403 Energy: 1.519497683599216 Energy: 1.9258254551309342 Energy: 1.70670836764844 Energy: 1.8397607726929113 Energy: 1.7169436120952437 Energy: 1.6857882918694245 Energy: 2.150729238097068 Energy: 1.5652126573382346 Energy: 1.7169436120940347 Energy: 1.685788291873857 Energy: 2.1507292380962624 Energy: 1.9260344680117565 Energy: 1.737254553392325 Energy: 1.86737291098844 Energy: 1.7369204759256867 Energy: 1.9260344680121595 Energy: 1.737254553392325 Energy: 1.8673729109924693 Energy: 1.717028895938628 Energy: 1.5711118428418789 Energy: 2.1504178064934467 Energy: 1.6858527600571234 Energy: 1.7170288959398368 Energy: 1.5711118428491315 Energy: 2.150417806494252 minimum gb energy = 1.519332759569256 eV minimum distance = 2.51097097801322 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.5943272095357324 Energy: 1.9606648453414808 Energy: 2.066186557718449 Energy: 1.9600464994661195 Energy: 1.5943272095367105 Energy: 1.9606648453409916 Energy: 2.066186557717471 Energy: 1.845260876955506 Energy: 1.6234712855257265 Energy: 2.0417864045658636 Energy: 1.6853656129861787 Energy: 1.845260876955506 Energy: 1.6234712855281723 Energy: 2.041786404566842 Energy: 1.671677862147827 Energy: 1.7318422208260156 Energy: 2.0652470439359534 Energy: 1.9718267455058063 Energy: 1.671677862148805 Energy: 1.7318422208274828 Energy: 2.0652470439379096 Energy: 1.7805383402601629 Energy: 1.847518571561817 Energy: 2.155097442406716 Energy: 1.7160923214304094 Energy: 1.7805383402596737 Energy: 1.8475185715613278 Energy: 2.1550974424042706 Energy: 1.5186938273925956 Energy: 1.890682809292044 Energy: 1.9911076772281595 Energy: 1.7717091677351353 Energy: 1.518693827394063 Energy: 1.8906828092886199 Energy: 1.9911076772276701 Energy: 1.8167982422157434 Energy: 1.626609636735107 Energy: 2.2157646439497767 Energy: 1.7386904762060293 Energy: 1.8167982422167217 Energy: 1.6266096367336398 Energy: 2.215764643950755 Energy: 1.7764811333209867 Energy: 1.864858727293433 Energy: 1.8642467736194592 Energy: 1.7823884589606411 Energy: 1.7764811333214758 Energy: 1.8648587272914765 Energy: 1.864246773617992 Energy: 1.746719656211319 Energy: 1.7977445864080424 Energy: 1.9141713682668342 Energy: 1.8291011083390978 Energy: 1.7467196562122973 Energy: 1.7977445864080424 Energy: 1.9141713682673231 Energy: 1.7916772183673548 Energy: 1.7963192861112125 Energy: 2.200676257607238 Energy: 1.8432762056010024 Energy: 1.7916772183658873 Energy: 1.7963192861117017 Energy: 2.200676257607727 Energy: 1.7633529316721561 Energy: 1.651893431500874 Energy: 1.9045457408816748 Energy: 1.7917034774996141 Energy: 1.7633529316736238 Energy: 1.6518934315033196 Energy: 1.9045457408792292 Energy: 1.7773235130009895 Energy: 1.8030084653314848 Energy: 2.2195743319318115 Energy: 1.74202316250098 Energy: 1.7773235130019676 Energy: 1.8030084653314848 Energy: 2.219574331930344 Energy: 1.6436910750407938 Energy: 1.8424648375890624 Energy: 2.0407877418323213 Energy: 1.9025073871805065 Energy: 1.6436910750403046 Energy: 1.842464837591019 Energy: 2.040787741830854 Energy: 1.7693168118822726 Energy: 1.796023842622143 Energy: 1.944902548318923 Energy: 1.8387215385537674 Energy: 1.769316811884229 Energy: 1.7960238426206758 Energy: 1.9449025483174558 Energy: 1.7214863151925353 Energy: 1.7012146406639521 Energy: 2.0587575360264148 Energy: 1.8701431625189018 Energy: 1.7214863151925353 Energy: 1.7012146406649302 Energy: 2.0587575360254364 Energy: 1.83696405987128 Energy: 1.7700710211025628 Energy: 1.8641473132488877 Energy: 1.6796508403632358 Energy: 1.8369640598703014 Energy: 1.7700710211035409 Energy: 1.864147313246931 Energy: 1.703115254515153 Energy: 1.8500316092447227 Energy: 2.276074118668973 Energy: 1.8305354796052538 Energy: 1.7031152545146637 Energy: 1.8500316092452118 Energy: 2.2760741186679945 Energy: 1.772762473295912 Energy: 1.6953014934279382 Energy: 1.9856736937917154 Energy: 1.6847402221818055 Energy: 1.77276247329689 Energy: 1.695301493427449 Energy: 1.9856736937926935 Energy: 1.752145398425118 Energy: 1.6435522919687213 Energy: 1.8677397556634248 Energy: 1.7494550142869667 Energy: 1.7521453984241397 Energy: 1.6435522919672538 Energy: 1.8677397556634248 Energy: 1.5967168290480738 Energy: 1.7043120757051944 Energy: 1.995931470286738 Energy: 1.6418611239717722 Energy: 1.596716829048563 Energy: 1.7043120757051944 Energy: 1.9959314702901618 Energy: 1.6167230545129125 Energy: 1.6749025385916474 Energy: 2.0720353096977244 Energy: 1.6748523192910292 Energy: 1.6167230545134015 Energy: 1.6749025385877343 Energy: 2.0720353096977244 Energy: 1.5974817439293991 Energy: 1.649336697065672 Energy: 1.9959697731292305 Energy: 1.7044383921726154 Energy: 1.5974817439298883 Energy: 1.6493366970642047 Energy: 1.9959697731292305 Energy: 1.7520257672060677 Energy: 1.7512732563947202 Energy: 1.8680277631716502 Energy: 1.6465006906501192 Energy: 1.7520257672060677 Energy: 1.7512732563966769 Energy: 1.8680277631716502 Energy: 1.793452242975192 Energy: 1.7157318059244702 Energy: 1.9574816742147048 Energy: 1.6953168868735473 Energy: 1.7934522429742137 Energy: 1.7157318059244702 Energy: 1.9574816742137267 Energy: 1.7031603299983296 Energy: 1.8305108851576775 Energy: 2.27602144917031 Energy: 1.804902619654664 Energy: 1.7031603299988187 Energy: 1.8305108851586558 Energy: 2.2760214491698205 Energy: 1.8311434145973144 Energy: 1.6795551393993884 Energy: 1.971798567478086 Energy: 1.7700777173179616 Energy: 1.831143414598782 Energy: 1.6795551393979213 Energy: 1.9717985674795533 minimum gb energy = 1.5186938273925956 eV minimum distance = 2.48356033394661 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.7649385326434586 Energy: 1.8709220669451108 Energy: 2.0253951320471564 Energy: 1.871503924263862 Energy: 1.7649385326515985 Energy: 1.8709220669451108 Energy: 2.0253951320471564 Energy: 1.8303060457314897 Energy: 1.8583723476113094 Energy: 2.038057713933868 Energy: 1.9315480435766506 Energy: 1.8303060457314897 Energy: 1.8583723476113094 Energy: 2.038057713928408 Energy: 1.8255899056520353 Energy: 1.9040014982344562 Energy: 1.9287000620085901 Energy: 1.8463465947700168 Energy: 1.8255899056411156 Energy: 1.9040014982344562 Energy: 1.9287000620058108 Energy: 1.6856338059600289 Energy: 1.9221347855541489 Energy: 2.1054885442297624 Energy: 1.8868513420288504 Energy: 1.6856338059627092 Energy: 1.922134785562388 Energy: 2.1054885442297624 Energy: 1.809032937715313 Energy: 1.7822492554278748 Energy: 1.9628832823537339 Energy: 1.7906150167966077 Energy: 1.809032937715313 Energy: 1.7822492554305551 Energy: 1.9628832823537339 Energy: 1.7271006599526013 Energy: 1.7869182575186655 Energy: 2.18274411235626 Energy: 1.7831727193398426 Energy: 1.7271006599526013 Energy: 1.7869182575186655 Energy: 2.182744112359039 Energy: 1.8110949647402144 Energy: 1.80440354869517 Energy: 1.962350874907333 Energy: 1.8287801631218359 Energy: 1.811094964737435 Energy: 1.80440354868971 Energy: 1.9623508749101126 Energy: 1.6378002695430003 Energy: 1.862409074884993 Energy: 2.074934926844795 Energy: 1.780777808652512 Energy: 1.6378002695430003 Energy: 1.8624090748877726 Energy: 2.0749349268420154 Energy: 1.7986977499297065 Energy: 1.7617311760300978 Energy: 1.9639148106159616 Energy: 1.7844405759482604 Energy: 1.798697749926927 Energy: 1.7617311760300978 Energy: 1.9639148106214215 Energy: 1.7371222720131017 Energy: 1.9078044757686385 Energy: 2.0840101922701217 Energy: 1.8161597319624239 Energy: 1.7371222720103223 Energy: 1.9078044757658592 Energy: 2.0840101922674417 Energy: 1.7739254356713239 Energy: 1.8539324372253636 Energy: 1.960873119865176 Energy: 1.807133183423368 Energy: 1.7739254356686436 Energy: 1.8539324372199038 Energy: 1.9608731198624958 Energy: 1.7369125172611624 Energy: 1.7727736576918542 Energy: 2.2594025029681704 Energy: 1.8210567822368318 Energy: 1.7369125172611624 Energy: 1.7727736576918542 Energy: 2.259402502965391 Energy: 1.7698124663281367 Energy: 1.7955025544838545 Energy: 2.0054179443257674 Energy: 1.8216111939900426 Energy: 1.7698124663281367 Energy: 1.795502554478395 Energy: 2.0054179443312274 Energy: 1.8135916998463437 Energy: 1.9387661457937184 Energy: 2.235499674254859 Energy: 1.8164721513656372 Energy: 1.8135916998463437 Energy: 1.9387661458018584 Energy: 2.2354996742520794 Energy: 1.7725783910544082 Energy: 1.8069921318799615 Energy: 2.1600687660014954 Energy: 1.9275641755596553 Energy: 1.7725783910489485 Energy: 1.8069921318799615 Energy: 2.1600687660014954 Energy: 1.7829771530415162 Energy: 1.740721242300526 Energy: 2.0371251567615944 Energy: 1.7993974592347268 Energy: 1.7829771530441967 Energy: 1.7407212422950662 Energy: 2.0371251567697346 Energy: 1.8385516400961621 Energy: 1.8983424032780527 Energy: 2.164013462247181 Energy: 1.815596973431928 Energy: 1.8385516400988422 Energy: 1.8983424032780527 Energy: 2.1640134622444016 Energy: 1.670121280307116 Energy: 1.7924377697668261 Energy: 2.145401434376338 Energy: 1.8518735238333104 Energy: 1.6701212803044356 Energy: 1.7924377697668261 Energy: 2.145401434379018 Energy: 1.821753948983719 Energy: 1.9099731952698236 Energy: 1.9735248994442565 Energy: 1.8795713932691571 Energy: 1.821753948989179 Energy: 1.9099731952698236 Energy: 1.9735248994469365 Energy: 1.6929727418909317 Energy: 1.8179246241182403 Energy: 2.1555713506165226 Energy: 1.7358405585727303 Energy: 1.6929727418882512 Energy: 1.817924624115461 Energy: 2.155571350621982 Energy: 1.76776186395428 Energy: 1.7497540931905702 Energy: 1.9597402983592873 Energy: 1.915633547110569 Energy: 1.7677618639570594 Energy: 1.74975409318789 Energy: 1.9597402983592873 Energy: 1.6955435335925566 Energy: 1.7799837031612902 Energy: 2.084001840887771 Energy: 1.799696163575578 Energy: 1.6955435336006965 Energy: 1.7799837031666508 Energy: 2.084001840890551 Energy: 1.7884423806220293 Energy: 1.7228266480161831 Energy: 2.0690622842523485 Energy: 1.8409145559996216 Energy: 1.788442380624809 Energy: 1.7228266480107235 Energy: 2.069062284246889 Energy: 1.7266441770310104 Energy: 1.774211847082827 Energy: 2.1083774536754767 Energy: 1.8125112660575473 Energy: 1.7266441770310104 Energy: 1.7742118470856063 Energy: 2.1083774536754767 Energy: 1.76147094880035 Energy: 1.8087519629298785 Energy: 2.041704967224573 Energy: 1.964963909426638 Energy: 1.76147094880303 Energy: 1.808751962927198 Energy: 2.0039928277305594 Energy: 1.7450996632355158 Energy: 1.8470904577856297 Energy: 2.2239225428305676 Energy: 1.9253923191254225 Energy: 1.7450996632355158 Energy: 1.8470904577856297 Energy: 2.223922542833347 Energy: 1.9212647106919916 Energy: 1.8382392006317807 Energy: 1.9345517088886324 Energy: 1.9917204499719423 Energy: 1.9212647107001313 Energy: 1.838239200629001 Energy: 1.9345517088968713 Energy: 1.7252313383866276 Energy: 1.9017934211753345 Energy: 2.222668072866048 Energy: 1.9636627132178845 Energy: 1.725231338381168 Energy: 1.901793421178114 Energy: 2.2226680728688275 Energy: 1.9033496836338148 Energy: 1.7676626247814446 Energy: 2.006524095670712 Energy: 1.8864044937052151 Energy: 1.9033496836311345 Energy: 1.7676626247842244 Energy: 1.995977574940862 Energy: 1.729123809852427 Energy: 1.8062776509248388 Energy: 2.031801706144324 Energy: 1.9364465929541752 Energy: 1.7291238098496475 Energy: 1.8062776509220593 Energy: 2.031801706144324 Energy: 1.7619492781952364 Energy: 1.7869834188277733 Energy: 2.102507848368189 Energy: 1.9116886804347928 Energy: 1.761949278200696 Energy: 1.7869834188223135 Energy: 2.1025078483708692 Energy: 1.6356229682693242 Energy: 1.7203400310770594 Energy: 2.107897624229062 Energy: 1.8045709435789812 Energy: 1.6356229682721037 Energy: 1.7203400310770594 Energy: 2.107897624226283 Energy: 1.7763594437946453 Energy: 1.7029975500577283 Energy: 2.074970555061973 Energy: 1.8672460132400295 Energy: 1.776359443791965 Energy: 1.702997550055048 Energy: 2.074970555064653 Energy: 1.6786084824503167 Energy: 1.7361676087660523 Energy: 2.0911927690141834 Energy: 1.7178467362735286 Energy: 1.6786084824503167 Energy: 1.7361676087688316 Energy: 2.0911927690114043 Energy: 1.6762765953861332 Energy: 1.7242822429237346 Energy: 1.9604443337957786 Energy: 1.8394435921226506 Energy: 1.6762765953914935 Energy: 1.7242822429237346 Energy: 1.9604443337957786 Energy: 1.6778930932209228 Energy: 1.680610961466455 Energy: 2.1143442656835107 Energy: 1.7680857148619342 Energy: 1.6778930932181435 Energy: 1.680610961466455 Energy: 2.1143442656835107 Energy: 1.756752326566444 Energy: 1.7308186913108758 Energy: 2.070159163006385 Energy: 1.777890088968868 Energy: 1.7567523265745841 Energy: 1.7308186913136554 Energy: 2.0701591630036056 Energy: 1.7284300831227413 Energy: 1.7510709438216236 Energy: 2.056496108807541 Energy: 1.7683512434591795 Energy: 1.7284300831200612 Energy: 1.7510709438270835 Energy: 2.056496108807541 Energy: 1.7565379516173218 Energy: 1.78907618175105 Energy: 2.205800789361123 Energy: 1.807597254601331 Energy: 1.7565379516146415 Energy: 1.7890761817482705 Energy: 2.205800789366583 Energy: 1.7888872072180002 Energy: 1.8951490199330185 Energy: 2.0727373802848774 Energy: 1.813610193797183 Energy: 1.78888720722078 Energy: 1.895149019927559 Energy: 2.0727373802903375 Energy: 1.8581293955013418 Energy: 1.8094262342821361 Energy: 1.9976210352949892 Energy: 1.8503697444174625 Energy: 1.8581293955041214 Energy: 1.8094262342793568 Energy: 1.99762103529221 Energy: 1.7599840049257638 Energy: 1.9436658203316666 Energy: 2.2215697291614225 Energy: 1.882175613989687 Energy: 1.7599840049230835 Energy: 1.9436658203316666 Energy: 2.221569729158643 Energy: 1.8497253806672467 Energy: 1.7649007126744354 Energy: 1.9929939940956105 Energy: 1.8323569546677696 Energy: 1.8497253806700262 Energy: 1.7649007126744354 Energy: 1.992993994098291 Energy: 1.7647199312554247 Energy: 1.9137952328715968 Energy: 2.138938507023277 Energy: 1.78576646638632 Energy: 1.764719931252645 Energy: 1.9137952328715968 Energy: 2.138938507023277 Energy: 1.708815334691544 Energy: 1.8590872726598802 Energy: 2.041407509558598 Energy: 1.8192705300064178 Energy: 1.7088153346860844 Energy: 1.8590872726598802 Energy: 2.041407509558598 minimum gb energy = 1.6356229682693242 eV minimum distance = 2.50176151987201 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.6235973057486857 Energy: 1.770824037852757 Energy: 1.7740921438429698 Energy: 1.770824037852757 Energy: 1.6235973057511475 Energy: 1.7708240378515265 Energy: 1.870740560724256 Energy: 1.6235973057493012 Energy: 1.770824037852757 Energy: 1.8707405607211791 Energy: 1.770824037852757 Energy: 1.623597305750532 Energy: 1.7708240378533728 Energy: 1.8707405607144083 Energy: 1.6235973057486857 Energy: 1.7708240378515265 Energy: 1.82555945552525 Energy: 1.770824037852142 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607119465 Energy: 1.6235973057486857 Energy: 1.770824037852757 Energy: 1.9171204313190071 Energy: 1.770824037852142 Energy: 1.623597305750532 Energy: 1.770824037852142 Energy: 1.8707405606916354 Energy: 1.623597305749917 Energy: 1.770824037852757 Energy: 1.9223088832455644 Energy: 1.770824037852142 Energy: 1.623597305750532 Energy: 1.7708240378533728 Energy: 1.870740560724256 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8246137601758414 Energy: 1.770824037852757 Energy: 1.6235973057486857 Energy: 1.770824037852757 Energy: 1.8707405607020988 Energy: 1.623597305749917 Energy: 1.770824037852757 Energy: 1.8206337639728336 Energy: 1.770824037852757 Energy: 1.623597305750532 Energy: 1.7708240378515265 Energy: 1.8707405607315861 Energy: 1.6235973057493012 Energy: 1.770824037852757 Energy: 1.9563025999851713 Energy: 1.770824037852142 Energy: 1.6235973057511475 Energy: 1.7708240378533728 Energy: 1.870740560723641 Energy: 1.6235973057493012 Energy: 1.7708240378515265 Energy: 1.86979342022648 Energy: 1.770824037852757 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607168703 Energy: 1.6235973057493012 Energy: 1.770824037852757 Energy: 1.8707405607199479 Energy: 1.770824037852757 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607168703 Energy: 1.623597305749917 Energy: 1.770824037852757 Energy: 1.9223088833236752 Energy: 1.770824037852142 Energy: 1.623597305750532 Energy: 1.7708240378533728 Energy: 1.8707405607174858 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405606947127 Energy: 1.770824037852142 Energy: 1.6235973057493012 Energy: 1.770824037852142 Energy: 1.8707405607070227 Energy: 1.623597305749917 Energy: 1.770824037852757 Energy: 1.8707405606879426 Energy: 1.7708240378533728 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607230254 Energy: 1.6235973057493012 Energy: 1.7708240378533728 Energy: 1.8707405607291803 Energy: 1.770824037852142 Energy: 1.6235973057511475 Energy: 1.7708240378533728 Energy: 1.870740560737741 Energy: 1.6235973057493012 Energy: 1.7708240378515265 Energy: 1.8707405607230254 Energy: 1.770824037852142 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607438958 Energy: 1.6235973057493012 Energy: 1.770824037852757 Energy: 1.8707405607549745 Energy: 1.770824037852757 Energy: 1.6235973057493012 Energy: 1.7708240378515265 Energy: 1.8707405607451266 Energy: 1.623597305749917 Energy: 1.7708240378533728 Energy: 1.8707405607328171 Energy: 1.7708240378515265 Energy: 1.623597305750532 Energy: 1.7708240378533728 Energy: 1.8707405607395875 Energy: 1.623597305749917 Energy: 1.770824037852142 Energy: 1.8707405607395875 Energy: 1.770824037852757 Energy: 1.6235973057493012 Energy: 1.770824037852142 Energy: 1.8707405607451266 Energy: 1.623597305749917 Energy: 1.770824037852757 Energy: 1.8707405607346637 Energy: 1.7708240378533728 Energy: 1.6235973057493012 Energy: 1.770824037852142 Energy: 1.8707405607371255 Energy: 1.6235973057493012 Energy: 1.770824037852757 Energy: 1.8707405607310268 Energy: 1.770824037852142 Energy: 1.6235973057511475 Energy: 1.7708240378533728 Energy: 1.870740560771593 minimum gb energy = 1.6235973057486857 eV minimum distance = 2.51390193461089 Angstroms sigma value = 23