Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.608429037034512 cohesive_energy=4.255447061354489 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 0.016505506900062993 Energy: 1.2891112849285173 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 1.2891112849282025 Energy: 0.2639943289375978 Energy: 1.2891112849282025 Energy: 0.2639943289379125 Energy: 1.2891112849279227 Energy: 0.2639943289379125 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 1.2891112849279227 Energy: 0.2639943289382273 Energy: 1.2891112849282025 Energy: 0.2639943289379125 Energy: 1.2891112849279227 Energy: 0.2639943289382273 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 0.016505506900062993 Energy: 1.2891112849282025 Energy: 1.2891112849282025 Energy: 0.2639943289375978 Energy: 1.2891112849282025 Energy: 0.2639943289375978 Energy: 1.2891112849282025 Energy: 0.2639943289375978 minimum gb energy = 0.016505506900062993 eV minimum distance = 2.52013217050439 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.2501280350738768 Energy: 1.071784553244205 Energy: 1.2501280350731192 Energy: 1.0717845532449628 Energy: 1.2501280350731192 Energy: 1.071784553246478 Energy: 1.3140352210063522 Energy: 0.9788631024102423 Energy: 1.3140352210093829 Energy: 0.978863102411 Energy: 1.3140352210071098 Energy: 0.978863102411 Energy: 1.1666218608094507 Energy: 1.120598360526478 Energy: 1.1666218608094507 Energy: 1.1205983605257206 Energy: 1.166621860808693 Energy: 1.120598360526478 Energy: 1.2506718938410102 Energy: 1.0447052329126885 Energy: 1.2506718938410102 Energy: 1.0447052329134459 Energy: 1.2506718938410102 Energy: 1.0447052329134459 Energy: 1.1240479709931417 Energy: 1.2052633506121693 Energy: 1.1240479709938993 Energy: 1.2052633506121693 Energy: 1.1240479709931417 Energy: 1.2052633506121693 Energy: 1.139368618184077 Energy: 1.0385582201358965 Energy: 1.1393686181833191 Energy: 1.0385582201366539 Energy: 1.139368618184077 Energy: 1.0385582201366539 Energy: 1.1162244289724526 Energy: 1.19056921985152 Energy: 1.1162244289732104 Energy: 1.1905692198507623 Energy: 1.1162244289716952 Energy: 1.19056921985152 Energy: 1.0561355670178616 Energy: 1.3029310005718722 Energy: 1.0561355670163464 Energy: 1.3029310005711146 Energy: 1.0561355670178616 Energy: 1.3029310005711146 Energy: 1.2143478533964196 Energy: 1.191255902568316 Energy: 1.2143478533964196 Energy: 1.191255902568316 Energy: 1.2143478533964196 Energy: 1.191255902568316 Energy: 0.9719538219933553 Energy: 1.2765723232752166 Energy: 0.9719538219933553 Energy: 1.276572323274459 Energy: 0.9719538219933553 Energy: 1.2765723232737014 Energy: 1.334024870037669 Energy: 1.0475717955792523 Energy: 1.3340248700384267 Energy: 1.0475717955792523 Energy: 1.334024870036911 Energy: 1.0475717955792523 Energy: 0.9378855692538915 Energy: 1.2334920700908403 Energy: 0.9378855692538915 Energy: 1.2334920700908403 Energy: 0.9378855692538915 Energy: 1.2334920700900827 Energy: 1.2882336320833634 Energy: 0.921145848641583 Energy: 1.288233632084121 Energy: 0.921145848641583 Energy: 1.2882336320833634 Energy: 0.921145848641583 Energy: 1.0585649429662647 Energy: 1.0037958655296677 Energy: 1.0585649429670225 Energy: 1.0037958655304253 Energy: 1.0585649429670225 Energy: 1.0037958655304253 Energy: 1.382209639622553 Energy: 0.9769455398051635 Energy: 1.382209639622553 Energy: 0.976945539805921 Energy: 1.3822096396217953 Energy: 0.976945539805921 Energy: 1.3850833010610393 Energy: 1.1898981336050254 Energy: 1.3850833010610393 Energy: 1.1898981336035102 Energy: 1.3850833010610393 Energy: 1.1898981336050254 Energy: 1.1661890167458717 Energy: 1.123905973046642 Energy: 1.166189016747387 Energy: 1.123905973046642 Energy: 1.166189016747387 Energy: 1.123905973046642 Energy: 1.1662375549814081 Energy: 1.083479998519271 Energy: 1.1662375549806505 Energy: 1.0834799985200285 Energy: 1.166237554982166 Energy: 1.083479998519271 Energy: 0.976642389321768 Energy: 1.0446469029628926 Energy: 0.976642389321768 Energy: 1.0446469029651657 Energy: 0.9766423893210103 Energy: 1.044646902964408 Energy: 1.155116038565879 Energy: 1.0387145408419838 Energy: 1.1551160385651216 Energy: 1.0387145408419838 Energy: 1.1551160385636061 Energy: 1.0387145408419838 Energy: 1.0009032087409266 Energy: 1.4639354490774912 Energy: 1.0009032087416845 Energy: 1.4639354490797643 Energy: 1.0009032087409266 Energy: 1.4639354490774912 Energy: 1.1249043337195659 Energy: 1.1911614772135712 Energy: 1.1249043337195659 Energy: 1.1911614772135712 Energy: 1.1249043337195659 Energy: 1.1911614772135712 Energy: 0.9089602082794087 Energy: 1.3934200526653127 Energy: 0.9089602082794087 Energy: 1.3934200526653127 Energy: 0.9089602082794087 Energy: 1.3934200526653127 minimum gb energy = 0.9089602082794087 eV minimum distance = 2.31856065815631 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.4152460309367187 Energy: 1.2466430320676896 Energy: 1.3551386588361014 Energy: 1.2466430320672586 Energy: 1.4152460309367187 Energy: 1.2466430320672586 Energy: 1.2553195804676744 Energy: 1.0874883593093243 Energy: 1.2553195804698292 Energy: 1.0874883593093243 Energy: 1.2553195804693982 Energy: 1.0874883593114792 Energy: 1.027641512523966 Energy: 1.1003651716271097 Energy: 1.0276415125235348 Energy: 1.1003651968184827 Energy: 1.027641512523966 Energy: 1.1003651425916596 Energy: 1.257715980541027 Energy: 1.2915056926256911 Energy: 1.257715980540596 Energy: 1.291505692626122 Energy: 1.257715980541458 Energy: 1.2915056926248292 Energy: 1.1770548228454896 Energy: 1.1704845865033353 Energy: 1.1770548228441968 Energy: 1.1704845865029045 Energy: 1.1770548228450586 Energy: 1.1704845865033353 Energy: 1.0557274653713329 Energy: 0.8917218962507212 Energy: 1.055727465370471 Energy: 0.8917218962507212 Energy: 1.0557274653717637 Energy: 0.8917218962537379 Energy: 1.280175527837319 Energy: 0.7901657370188087 Energy: 1.2815869860160318 Energy: 0.7901163412194476 Energy: 1.2801755278394737 Energy: 0.790164017409569 Energy: 0.9511668720203832 Energy: 1.3596985146695408 Energy: 0.9516267688640139 Energy: 1.3596985146712646 Energy: 0.951166872020814 Energy: 1.3596985146716956 Energy: 0.991975909445057 Energy: 1.0307565524992275 Energy: 0.9919759094437641 Energy: 1.0307565524992275 Energy: 0.991975909445057 Energy: 1.0307565524996585 Energy: 0.9748298691006635 Energy: 1.3070263849368753 Energy: 0.974828611672512 Energy: 1.307026384937737 Energy: 0.9748298691010946 Energy: 1.3070263849390298 Energy: 1.2592540677496378 Energy: 0.9762702554185093 Energy: 1.259254067677709 Energy: 0.9762702554180783 Energy: 1.2592540676880517 Energy: 0.9762702554193712 Energy: 1.0286482355473463 Energy: 1.0698206589955672 Energy: 1.0286482610631045 Energy: 1.069820658995136 Energy: 1.0286482355477775 Energy: 1.0698206589925505 Energy: 1.2318189431720181 Energy: 0.9720959599865339 Energy: 1.2318189431702944 Energy: 0.9720959599861029 Energy: 1.2318189431702944 Energy: 0.9720959599861029 Energy: 1.2320442257527626 Energy: 1.2619971692183982 Energy: 1.2320442257549176 Energy: 1.2619971692183982 Energy: 1.2320442257527626 Energy: 1.26199716921926 Energy: 1.2138792986787106 Energy: 1.0864319877891562 Energy: 1.213879298680003 Energy: 1.0864319877887252 Energy: 1.2138792986787106 Energy: 1.086431987789587 Energy: 1.0274818027186516 Energy: 1.086522236750353 Energy: 1.0274818027199446 Energy: 1.0865222367486294 Energy: 1.0274818027195138 Energy: 1.0865222367520768 Energy: 1.2487190885338373 Energy: 1.1218320627880296 Energy: 1.2487190885308206 Energy: 1.1218320627880296 Energy: 1.2487190885338373 Energy: 1.1218320627893226 Energy: 1.1751234676281548 Energy: 0.8914573344671879 Energy: 1.175123467627293 Energy: 0.8914573344913209 Energy: 1.1751234676277236 Energy: 0.8914573344598619 Energy: 1.0581652919215034 Energy: 1.0796152473419944 Energy: 1.0581652919232272 Energy: 1.0796152473428562 Energy: 1.0581652919210724 Energy: 1.0796152473419944 Energy: 1.2342024992907237 Energy: 1.2940402101373232 Energy: 1.2342024992911549 Energy: 1.2940402101368922 Energy: 1.2342024992899012 Energy: 1.2940402101373232 Energy: 0.9251703058463607 Energy: 1.3546694566198112 Energy: 0.925170305845068 Energy: 1.3546694565853747 Energy: 0.9251703058463607 Energy: 1.3546694566465298 Energy: 1.0844825798745599 Energy: 1.0304317928117368 Energy: 1.0844825798732671 Energy: 1.0304317928117368 Energy: 1.0844825798749909 Energy: 1.0304317928087203 Energy: 0.975661962051877 Energy: 1.3039220183516036 Energy: 0.9754010846766628 Energy: 1.3039220183507416 Energy: 0.975661962051877 Energy: 1.3039220183520344 Energy: 1.2372480836263628 Energy: 1.1769332800126293 Energy: 1.2372480836250699 Energy: 1.1769332800126293 Energy: 1.2372480836267936 Energy: 1.1769332800126293 Energy: 1.0277990557493055 Energy: 1.1088935744051018 Energy: 1.0274376773370795 Energy: 1.1088935744063948 Energy: 1.0277990557488745 Energy: 1.108893574405533 Energy: 1.3658713240805977 Energy: 1.2641075882230404 Energy: 1.3071340432246898 Energy: 1.2641075882239023 Energy: 1.365871324080167 Energy: 1.2641075882243331 Energy: 1.3658264001649414 Energy: 1.2737523742258177 Energy: 1.3070145531320785 Energy: 1.2737523742258177 Energy: 1.3658264001653722 Energy: 1.2737523742236627 Energy: 1.0274992878657334 Energy: 1.1181842535536008 Energy: 1.0274992878657334 Energy: 1.1181842535536008 Energy: 1.0274992878653024 Energy: 1.1181842535536008 Energy: 1.3036725199544055 Energy: 1.0874504753412728 Energy: 1.3036725199548365 Energy: 1.0874504753412728 Energy: 1.3036725199561294 Energy: 1.0874504753404108 Energy: 0.9753264684021303 Energy: 1.3303515827131631 Energy: 0.9753264684021303 Energy: 1.3303515827123014 Energy: 0.9753264684021303 Energy: 1.3303515827101464 Energy: 1.1990478740363273 Energy: 1.0306899452016647 Energy: 1.199047874035465 Energy: 1.0306899452016647 Energy: 1.19904787403762 Energy: 1.0306899452038196 Energy: 0.96919178335003 Energy: 0.6610773169942816 Energy: 0.969191783347875 Energy: 0.6610925587841073 Energy: 0.969191783349599 Energy: 0.6610396273512518 Energy: 1.2874839525313146 Energy: 1.2940875483251009 Energy: 1.2883177909706172 Energy: 1.2940875483251009 Energy: 1.2874839525317456 Energy: 1.29408754832467 Energy: 1.088345547913328 Energy: 1.2138458403993924 Energy: 1.0883455479146207 Energy: 1.2138458403998234 Energy: 1.088345547913328 Energy: 1.213845840402409 Energy: 1.086629508746025 Energy: 1.0274179121500788 Energy: 1.0866295087486106 Energy: 1.0274179121500788 Energy: 1.0866295087468871 Energy: 1.0274179121470624 Energy: 1.11984650311211 Energy: 1.2592623833083334 Energy: 1.11984650311211 Energy: 1.2592623833087644 Energy: 1.1198465031112481 Energy: 1.2592623833091954 Energy: 1.027441821078835 Energy: 1.1750311811353769 Energy: 1.027474218152086 Energy: 1.1750311811353769 Energy: 1.027441821078835 Energy: 1.1750311811353769 Energy: 1.0749598500904478 Energy: 1.0561255624967523 Energy: 1.0749598500921715 Energy: 1.0561255624976145 Energy: 1.0749598500904478 Energy: 1.0561255624984762 Energy: 1.2321701630726205 Energy: 1.2339222408922885 Energy: 1.2321701630721895 Energy: 1.2339222408858241 Energy: 1.2321701630726205 Energy: 1.2339222408922885 Energy: 1.3935456936447654 Energy: 0.9249062163946893 Energy: 1.3935456936421797 Energy: 0.9249062163942583 Energy: 1.3935456936417487 Energy: 0.924906216396413 Energy: 1.028552165067425 Energy: 0.9903700713665585 Energy: 1.0285521650657012 Energy: 0.9903700713661278 Energy: 1.0285521650669942 Energy: 0.9903700713656968 minimum gb energy = 0.6610396273512518 eV minimum distance = 2.36350370027471 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 1.1970359729057694 Energy: 1.1695899608278693 Energy: 1.1970359729057694 Energy: 1.1695899608278693 Energy: 1.1970359729057694 Energy: 1.1695899608278693 Energy: 1.3070045060626718 Energy: 1.0458471000421363 Energy: 1.3070045060626718 Energy: 1.0458471000421363 Energy: 1.3070045060636704 Energy: 1.0458471000431349 Energy: 1.10137122074855 Energy: 1.3056470081870901 Energy: 1.10137122074855 Energy: 1.3056470081870901 Energy: 1.10137122074855 Energy: 1.3056470081870901 Energy: 1.0993727909248499 Energy: 0.9358198427203396 Energy: 1.0993727909248499 Energy: 0.9358198427203396 Energy: 1.0993727909248499 Energy: 0.9358198427203396 Energy: 1.169622195253001 Energy: 1.1349554598413887 Energy: 1.169622195253001 Energy: 1.1349554598413887 Energy: 1.1696221952539998 Energy: 1.1349554598413887 Energy: 1.2001130460295013 Energy: 1.1351109200796172 Energy: 1.200113046028503 Energy: 1.1351109200806158 Energy: 1.2001130460295013 Energy: 1.1351109200806158 Energy: 1.0569049089738964 Energy: 1.1420208022053735 Energy: 1.0569049089738964 Energy: 1.1420208022053735 Energy: 1.056904908974895 Energy: 1.1420208022053735 Energy: 1.0330298205962736 Energy: 1.1354321652942638 Energy: 1.0330298205962736 Energy: 1.1354321652942638 Energy: 1.0330298205962736 Energy: 1.1354321652942638 Energy: 1.2965531565860529 Energy: 0.9314860874546556 Energy: 1.2965531565880497 Energy: 0.9314860874546556 Energy: 1.2965531565870512 Energy: 0.9314860874546556 Energy: 0.9755168972301947 Energy: 1.2935409586565174 Energy: 0.9755168972301947 Energy: 1.2935409586565174 Energy: 0.9755168972301947 Energy: 1.2935409586565174 Energy: 1.4297232418147066 Energy: 0.9358479410631555 Energy: 1.429723241815705 Energy: 0.9358479410631555 Energy: 1.429723241815705 Energy: 0.9358479410631555 Energy: 1.1907020911010218 Energy: 1.1710121994021438 Energy: 1.1907020911010218 Energy: 1.1710121994021438 Energy: 1.1907020911010218 Energy: 1.1710121994031426 Energy: 1.3934737125120698 Energy: 1.0466900105933528 Energy: 1.3934737125120698 Energy: 1.0466900105933528 Energy: 1.3934737125110712 Energy: 1.0466900105933528 Energy: 1.101245857739871 Energy: 1.0737654901751261 Energy: 1.1012458577388724 Energy: 1.0737654901751261 Energy: 1.101245857739871 Energy: 1.0737654901741271 Energy: 1.0951535621185193 Energy: 1.132175649070621 Energy: 1.0951535621185193 Energy: 1.1321756490696226 Energy: 1.0951535621195179 Energy: 1.1321756490696226 Energy: 1.200362907484302 Energy: 1.1350088510299892 Energy: 1.2003629074853006 Energy: 1.1350088510289906 Energy: 1.200362907484302 Energy: 1.1350088510299892 Energy: 1.16817771434611 Energy: 1.266708603094835 Energy: 1.16817771434611 Energy: 1.2667086030958332 Energy: 1.1681777143451113 Energy: 1.2667086030958332 Energy: 1.0578268322617514 Energy: 1.1362733068541242 Energy: 1.0578268322617514 Energy: 1.1362733068541242 Energy: 1.0578268322617514 Energy: 1.1362733068541242 minimum gb energy = 0.9314860874546556 eV minimum distance = 2.27650224725468 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.9166674091328652 Energy: 0.8723297485033565 Energy: 0.9166674091328652 Energy: 0.8723297485039487 Energy: 0.9166674091334575 Energy: 0.8723297485033565 Energy: 1.1232075322456643 Energy: 1.1795241467914401 Energy: 1.1232075322450719 Energy: 1.1795241467920323 Energy: 1.1232075322450719 Energy: 1.1795241467914401 Energy: 0.8234626452361081 Energy: 1.1778963870591372 Energy: 0.8234626452367004 Energy: 1.177896387058545 Energy: 0.8234626452367004 Energy: 1.177896387058545 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.8749033099058233 Energy: 0.9140466442999281 Energy: 0.9613618786061615 Energy: 0.8233499730370014 Energy: 0.9613618786055692 Energy: 0.8233499730370014 Energy: 0.9613618786061615 Energy: 0.8233499730370014 Energy: 0.8234527189224897 Energy: 1.1778244266273583 Energy: 0.8234527189224897 Energy: 1.1778244266279503 Energy: 0.8234527189218973 Energy: 1.1778244266279503 Energy: 1.1232895190345966 Energy: 1.179557499776804 Energy: 1.1232895190345966 Energy: 1.179557499776804 Energy: 1.1232895190357814 Energy: 1.179557499776804 Energy: 0.9166674091334575 Energy: 0.8723297485033565 Energy: 0.9166674091328652 Energy: 0.8723297485033565 Energy: 0.9166674091334575 Energy: 0.8723297485039487 Energy: 1.1232075322450719 Energy: 1.1795241467920323 Energy: 1.1232075322444797 Energy: 1.1795241467920323 Energy: 1.1232075322450719 Energy: 1.1795241467920323 Energy: 0.8234626452361081 Energy: 1.1778963870579526 Energy: 0.8234626452367004 Energy: 1.177896387058545 Energy: 0.8234626452367004 Energy: 1.177896387058545 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.961312986497375 Energy: 0.8233450242004492 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8748140210447028 Energy: 0.9139623027633268 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.9613618786061615 Energy: 0.8233499730370014 Energy: 0.9613618786061615 Energy: 0.8233499730370014 Energy: 0.9613618786067537 Energy: 0.8233499730370014 Energy: 0.8234527189224897 Energy: 1.1778244266273583 Energy: 0.8234527189224897 Energy: 1.1778244266279503 Energy: 0.8234527189224897 Energy: 1.1778244266279503 Energy: 1.1232895190351893 Energy: 1.179557499776804 Energy: 1.1232895190351893 Energy: 1.179557499776804 Energy: 1.1232895190351893 Energy: 1.179557499776804 Energy: 0.9166674091328652 Energy: 0.8723297485039487 Energy: 0.9166674091334575 Energy: 0.8723297485033565 Energy: 0.9166674091328652 Energy: 0.8723297485033565 Energy: 1.1232075322450719 Energy: 1.1795241467914401 Energy: 1.1232075322444797 Energy: 1.1795241467914401 Energy: 1.1232075322450719 Energy: 1.1795241467920323 Energy: 0.8234626452361081 Energy: 1.177896387058545 Energy: 0.8234626452361081 Energy: 1.177896387058545 Energy: 0.8234626452361081 Energy: 1.177896387058545 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.9613129864979674 Energy: 0.8233450242004492 Energy: 0.961312986497375 Energy: 0.8233450242004492 Energy: 0.8748140210447028 Energy: 0.9139623027627344 Energy: 0.8748140210447028 Energy: 0.9139623027627344 Energy: 0.8748140210447028 Energy: 0.9139623027627344 Energy: 0.8749033099058233 Energy: 0.9140466442993359 Energy: 0.8749033099058233 Energy: 0.9140466442993359 Energy: 0.8749033099064155 Energy: 0.9140466442999281 Energy: 0.9613618786067537 Energy: 0.8233499730370014 Energy: 0.9613618786061615 Energy: 0.8233499730370014 Energy: 0.9613618786073461 Energy: 0.8233499730370014 Energy: 0.8234527189224897 Energy: 1.1778244266279503 Energy: 0.8234527189218973 Energy: 1.1778244266279503 Energy: 0.8234527189218973 Energy: 1.1778244266273583 Energy: 1.1232895190345966 Energy: 1.179557499776804 Energy: 1.1232895190334122 Energy: 1.1795574997762117 Energy: 1.1232895190345966 Energy: 1.179557499776804 Energy: 0.9166674091334575 Energy: 0.8723297485033565 Energy: 0.9166674091328652 Energy: 0.8723297485033565 Energy: 0.9166674091334575 Energy: 0.8723297485033565 Energy: 1.1232075322456643 Energy: 1.1795241467920323 Energy: 1.1232075322456643 Energy: 1.1795241467920323 Energy: 1.1232075322456643 Energy: 1.1795241467920323 Energy: 0.8234626452361081 Energy: 1.1778963870597297 Energy: 0.8234626452355158 Energy: 1.177896387058545 Energy: 0.8234626452361081 Energy: 1.1778963870591372 minimum gb energy = 0.8233450242004492 eV minimum distance = 2.29539844532102 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.8844011042666727 Energy: 0.8316067007431096 Energy: 0.8844011042666727 Energy: 0.8316067007431096 Energy: 0.8844011042666727 Energy: 0.8316067007431096 Energy: 1.0089692221318127 Energy: 0.8707553555990986 Energy: 1.0089692221347142 Energy: 0.8707553555976478 Energy: 1.0089692221274604 Energy: 0.8707553555976478 Energy: 0.8395099236918288 Energy: 1.0088677798843078 Energy: 0.8395099237324506 Energy: 1.0088677798843078 Energy: 0.8395099237179429 Energy: 1.0088677798843078 Energy: 1.0247108916309853 Energy: 0.8064990383978851 Energy: 1.0247108916309853 Energy: 0.8064990383978851 Energy: 1.0247108916309853 Energy: 0.8064990383978851 Energy: 1.0225838616906846 Energy: 0.806431271076685 Energy: 1.0225838616906846 Energy: 0.806431271076685 Energy: 1.0225838616906846 Energy: 0.8064312710781357 Energy: 1.0335889389755688 Energy: 1.1126050322000238 Energy: 1.0335889389770196 Energy: 1.112605032198573 Energy: 1.0335889389755688 Energy: 1.112605032198573 Energy: 0.9644737719938365 Energy: 0.8669621826733062 Energy: 0.9644737719938365 Energy: 0.8669621826747568 Energy: 0.9644737719938365 Energy: 0.8669621826733062 Energy: 0.8799325245085102 Energy: 0.8334786183030878 Energy: 0.8799325245085102 Energy: 0.8334786183030878 Energy: 0.8799325245085102 Energy: 0.8334786183030878 Energy: 1.038237580575111 Energy: 0.8390007806281161 Energy: 1.0382375805736603 Energy: 0.839000761612478 Energy: 1.038237580575111 Energy: 0.8390007810587999 Energy: 0.9369970266709546 Energy: 1.0624677025235083 Energy: 0.9369970266709546 Energy: 1.0624677025235083 Energy: 0.9369970266724056 Energy: 1.0624677025220577 Energy: 0.8871771730645868 Energy: 0.8076836542969098 Energy: 0.8871771730660376 Energy: 0.8076836542969098 Energy: 0.8871771730645868 Energy: 0.8076836542969098 Energy: 1.0736813866070598 Energy: 1.0097177540620847 Energy: 1.0736813866070598 Energy: 1.0097177540620847 Energy: 1.0736813866070598 Energy: 1.0097177540635354 minimum gb energy = 0.806431271076685 eV minimum distance = 2.26723970727167 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.9492352794276826 Energy: 0.7700847658686186 Energy: 0.9492352794276826 Energy: 0.7700847658686186 Energy: 0.9492352794280903 Energy: 0.7700847658690262 Energy: 0.8690862809105868 Energy: 0.7010066196087783 Energy: 0.869086280819314 Energy: 0.7010066196087783 Energy: 0.8690862810120507 Energy: 0.7010066196087783 Energy: 0.7042372718782299 Energy: 0.9834274107202163 Energy: 0.7042372718765995 Energy: 0.9834274107194012 Energy: 0.7042372718774147 Energy: 0.983427410720624 Energy: 0.7745285192101947 Energy: 0.7407539645119194 Energy: 0.7745285192106024 Energy: 0.740753964510289 Energy: 0.7745285192101947 Energy: 0.7407539645111043 Energy: 0.7761474587269864 Energy: 0.7378284358916143 Energy: 0.7761474587261712 Energy: 0.7378284358916143 Energy: 0.7761474587282093 Energy: 0.7378284358916143 Energy: 0.8578170336605236 Energy: 0.8767156551190728 Energy: 0.8578170336621541 Energy: 0.8767156551198881 Energy: 0.8578170336613388 Energy: 0.8767156551178499 Energy: 0.8241671737804109 Energy: 0.7924943510675381 Energy: 0.8241671737800033 Energy: 0.7924943510675381 Energy: 0.8241671737791879 Energy: 0.7924943510667227 Energy: 0.7125366525331742 Energy: 0.7909649909816092 Energy: 0.7125366525335819 Energy: 0.7909649909820169 Energy: 0.7125366525327665 Energy: 0.7909649909820169 Energy: 0.7781680528785626 Energy: 0.7352613065417208 Energy: 0.7781680528777473 Energy: 0.7352613065417208 Energy: 0.7781680528797855 Energy: 0.7352613065421285 Energy: 0.7748826216664247 Energy: 0.9457200870571442 Energy: 0.7748826216652018 Energy: 0.9457200871431181 Energy: 0.7748826216652018 Energy: 0.9457200870310556 Energy: 0.7724552754902579 Energy: 0.7463276844069324 Energy: 0.7724552754890351 Energy: 0.7463276844069324 Energy: 0.7724552754922961 Energy: 0.74632768440734 Energy: 0.740379526529317 Energy: 0.8278546537411947 Energy: 0.7403795265285019 Energy: 0.827854653739972 Energy: 0.7403795265285019 Energy: 0.8278546537395644 Energy: 0.8679644586765999 Energy: 0.8003055995857933 Energy: 0.8679644586786381 Energy: 0.8003055995853856 Energy: 0.8679644586888289 Energy: 0.8003055995841626 Energy: 0.9393755310388463 Energy: 0.9553800186113784 Energy: 0.9393755310400692 Energy: 0.9553800186121938 Energy: 0.9393755310376235 Energy: 0.9553800186121938 Energy: 0.7428286465021158 Energy: 0.7719889431569911 Energy: 0.7428286465029311 Energy: 0.7719889431561758 Energy: 0.7428286465013006 Energy: 0.7719889431573986 Energy: 0.878583384783162 Energy: 0.9111736461285075 Energy: 0.8785833847619652 Energy: 0.9111736461297305 Energy: 0.8785833847635957 Energy: 0.9111736461301382 Energy: 0.9737195620282172 Energy: 0.7415476336588344 Energy: 0.97371956202944 Energy: 0.7415476336600572 Energy: 0.97371956202944 Energy: 0.7415476336612802 Energy: 0.7564695736338717 Energy: 0.736029196674621 Energy: 0.7564695736330566 Energy: 0.7360291966742133 Energy: 0.7564695736330566 Energy: 0.7360291966742133 Energy: 0.7085902699730977 Energy: 0.9869403865108414 Energy: 0.7085902699743206 Energy: 0.9869403865132873 Energy: 0.7085902699730977 Energy: 0.9869403865149176 Energy: 0.9042703503078192 Energy: 0.7093967779311535 Energy: 0.9042703503070039 Energy: 0.7093967779303382 Energy: 0.9042703503074115 Energy: 0.7093967779303382 Energy: 0.7086050997219053 Energy: 0.9877954467239762 Energy: 0.7086050997194595 Energy: 0.9877954467235686 Energy: 0.70860509972109 Energy: 0.9877954467235686 Energy: 0.7561793278190038 Energy: 0.7355764636166732 Energy: 0.7561793278194114 Energy: 0.7355764636162655 Energy: 0.7561793278177809 Energy: 0.7355764636166732 Energy: 0.9736538804567298 Energy: 0.7417664088817539 Energy: 0.9736538804567298 Energy: 0.7417664088813463 Energy: 0.9736538804571375 Energy: 0.7417664088825692 Energy: 0.8785685005440271 Energy: 0.8255667132321622 Energy: 0.8785685005436195 Energy: 0.8255667132317546 Energy: 0.8785685005460652 Energy: 0.8255667132321622 Energy: 0.7421585230970489 Energy: 0.7718776690133841 Energy: 0.7421585230966412 Energy: 0.7718776690133841 Energy: 0.7421585230970489 Energy: 0.7718776690129764 Energy: 0.9391232238940805 Energy: 0.9553035673572156 Energy: 0.9391232238932653 Energy: 0.9553035673576231 Energy: 0.9391232238936729 Energy: 0.9553035673576231 Energy: 0.8689915974145037 Energy: 0.800572516467731 Energy: 0.8689915974332177 Energy: 0.8005725164673233 Energy: 0.8689915974336254 Energy: 0.8005725164685463 Energy: 0.7403041886556259 Energy: 0.7383391753336441 Energy: 0.7403041886556259 Energy: 0.7383391753332365 Energy: 0.7403041886552182 Energy: 0.7383391753344595 Energy: 0.7725131734718581 Energy: 0.7467270300058158 Energy: 0.7725131734714505 Energy: 0.7467270300058158 Energy: 0.7725131734714505 Energy: 0.7467270300058158 Energy: 0.7749962729012085 Energy: 0.7037482604986681 Energy: 0.7749962728995781 Energy: 0.7037482604958146 Energy: 0.7749962728995781 Energy: 0.7037482604949993 Energy: 0.7779404128969309 Energy: 0.7359203548980293 Energy: 0.7779404128948928 Energy: 0.7359203548980293 Energy: 0.7779404128969309 Energy: 0.7359203548976218 Energy: 0.7125085453203834 Energy: 0.7910721465285107 Energy: 0.7125085453207911 Energy: 0.791072146529326 Energy: 0.7125085453207911 Energy: 0.7910721465289183 Energy: 0.8243576789775894 Energy: 0.7925964301107257 Energy: 0.824357678977997 Energy: 0.7925964301111331 Energy: 0.8243576789796274 Energy: 0.7925964301115408 Energy: 0.8576619502358129 Energy: 0.915078172272946 Energy: 0.8576619502362206 Energy: 0.9150781722578634 Energy: 0.8576619502349976 Energy: 0.9150781722586787 Energy: 0.7764571239524124 Energy: 0.7352631204447906 Energy: 0.7764571239532277 Energy: 0.7352631204435678 Energy: 0.7764571239515973 Energy: 0.7352631204447906 Energy: 0.7745544916820469 Energy: 0.7406732939948697 Energy: 0.7745544916812317 Energy: 0.7406732939948697 Energy: 0.7745544916812317 Energy: 0.7406732939969078 Energy: 0.7040802582373107 Energy: 0.986433071497859 Energy: 0.704080258236903 Energy: 0.9864330714933749 Energy: 0.7040802582364953 Energy: 0.9864330714950054 Energy: 0.8701849155440976 Energy: 0.7482673299555035 Energy: 0.8701849151195283 Energy: 0.7482673299567264 Energy: 0.8701849152649797 Energy: 0.7482673299542806 Energy: 0.9492352794288684 Energy: 0.7700847658690262 Energy: 0.9492352794284608 Energy: 0.7700847658690262 Energy: 0.9492352794288684 Energy: 0.7700847658673957 Energy: 0.869086281450072 Energy: 0.7010066196091859 Energy: 0.8690862817275595 Energy: 0.7010066196095935 Energy: 0.8690862814920212 Energy: 0.7010066196095935 Energy: 0.7042372718782299 Energy: 0.9834274107234776 Energy: 0.7042372718770071 Energy: 0.9834274107247003 Energy: 0.7042372718778223 Energy: 0.9834274107226623 Energy: 0.7745285192110101 Energy: 0.7407539645119194 Energy: 0.7745285192106024 Energy: 0.7407539645115119 Energy: 0.7745285192101947 Energy: 0.7407539645115119 Energy: 0.7761474587278017 Energy: 0.7378284358944678 Energy: 0.776147458727394 Energy: 0.7378284358940601 Energy: 0.776147458727394 Energy: 0.7378284358936524 minimum gb energy = 0.7010066196087783 eV minimum distance = 2.338046551479 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.47384984309576966 Energy: 0.33633794335049305 Energy: 0.4738498430966976 Energy: 0.3363379433514209 Energy: 0.4738498430966976 Energy: 0.33633794335049305 Energy: 0.39963034023898864 Energy: 0.4443629037696092 Energy: 0.39963034023898864 Energy: 0.4443629037696092 Energy: 0.39963034023898864 Energy: 0.4443629037696092 Energy: 0.3466891125684943 Energy: 0.3367017558167618 Energy: 0.3466891125684943 Energy: 0.33670175581768974 Energy: 0.34668911256942225 Energy: 0.3367017558167618 Energy: 0.474707787746601 Energy: 0.4801446838051446 Energy: 0.474707787746601 Energy: 0.4801446838042167 Energy: 0.474707787746601 Energy: 0.4801446838051446 Energy: 0.33683530189179184 Energy: 0.4001725264031264 Energy: 0.3368353018927198 Energy: 0.4001725264031264 Energy: 0.33683530189179184 Energy: 0.4001725264021986 Energy: 0.3367610110081063 Energy: 0.40008006320789086 Energy: 0.3367610110081063 Energy: 0.40008006320789086 Energy: 0.3367610110090343 Energy: 0.40008006320789086 Energy: 0.47467198896217194 Energy: 0.47999096002026426 Energy: 0.47467198896217194 Energy: 0.47999096002026426 Energy: 0.47467198896217194 Energy: 0.47999096002026426 Energy: 0.346149084582069 Energy: 0.33666721372411895 Energy: 0.346149084582069 Energy: 0.33666721372411895 Energy: 0.346149084582069 Energy: 0.3366672137250469 Energy: 0.399518077464878 Energy: 0.44446140664705536 Energy: 0.399518077464878 Energy: 0.4444614066461274 Energy: 0.399518077464878 Energy: 0.44446140664705536 Energy: 0.4753191942971818 Energy: 0.3361866364119715 Energy: 0.4753191942971818 Energy: 0.3361866364119715 Energy: 0.4753191942981097 Energy: 0.3361866364119715 Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.3362991500849839 Energy: 0.34484454066508047 Energy: 0.4738498430966976 Energy: 0.33633794335049305 Energy: 0.4738498430966976 Energy: 0.33633794335049305 Energy: 0.4738498430966976 Energy: 0.33633794335049305 Energy: 0.39963034023898864 Energy: 0.4443629037696092 Energy: 0.39963034023898864 Energy: 0.4443629037696092 Energy: 0.39963034023898864 Energy: 0.4443629037686813 Energy: 0.3466891125684943 Energy: 0.3367017558167618 Energy: 0.3466891125684943 Energy: 0.3367017558167618 Energy: 0.34668911256942225 Energy: 0.3367017558167618 Energy: 0.474707787746601 Energy: 0.4801446838051446 Energy: 0.474707787746601 Energy: 0.4801446838042167 Energy: 0.474707787746601 Energy: 0.4801446838051446 Energy: 0.33683530189179184 Energy: 0.4001725264031264 Energy: 0.3368353018927198 Energy: 0.4001725264031264 Energy: 0.33683530189179184 Energy: 0.4001725264031264 Energy: 0.3367610110081063 Energy: 0.40008006320603495 Energy: 0.3367610110081063 Energy: 0.40008006320603495 Energy: 0.3367610110090343 Energy: 0.40008006320603495 Energy: 0.47467198896217194 Energy: 0.47999096002026426 Energy: 0.47467198896217194 Energy: 0.47999096002026426 Energy: 0.47467198896217194 Energy: 0.47999096002026426 minimum gb energy = 0.3361866364119715 eV minimum distance = 2.45037572615433 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5567068598499831 Energy: 0.7751974857447823 Energy: 0.5567068598486237 Energy: 0.7751974857441026 Energy: 0.5567068598459047 Energy: 0.7751974857441026 Energy: 0.7467396757684645 Energy: 0.6846781660151394 Energy: 0.7467396757677848 Energy: 0.6846781660158192 Energy: 0.7467396757677848 Energy: 0.6846781660151394 Energy: 0.7138740217954579 Energy: 1.213837002133318 Energy: 0.7138740218029348 Energy: 1.213837002133318 Energy: 0.7138740218056537 Energy: 1.2138370021326383 Energy: 0.8489396148816801 Energy: 0.16208918520460436 Energy: 0.8489396148796411 Energy: 0.16208918520596377 Energy: 0.8489396148789614 Energy: 0.16208918520528406 Energy: 0.7462588495801247 Energy: 0.4841819049740852 Energy: 0.7462588495814843 Energy: 0.484181904974765 Energy: 0.7462588495808045 Energy: 0.4841819049740852 Energy: 0.3004695565415443 Energy: 0.7431842821006273 Energy: 0.30046955654086455 Energy: 0.7431842820986498 Energy: 0.30046955654086455 Energy: 0.7431842820986498 Energy: 0.16788524320551224 Energy: 1.0025223725123726 Energy: 0.16788524320823114 Energy: 1.0025223725116927 Energy: 0.16788524320143391 Energy: 1.0025223725123726 Energy: 0.8406618501145586 Energy: 0.1302484315190611 Energy: 0.8406618501152383 Energy: 0.1302465446996251 Energy: 0.8406618501145586 Energy: 0.130245650784558 Energy: 0.804559042821138 Energy: 0.13033605184973712 Energy: 0.804559042821138 Energy: 0.13033605047120048 Energy: 0.8045590428218177 Energy: 0.13033605249856206 Energy: 0.08554372466038458 Energy: 1.024998022736543 Energy: 0.08554373515330471 Energy: 1.024998022736543 Energy: 0.08554370652189704 Energy: 1.0249980227372226 Energy: 0.806380520885275 Energy: 0.7829153732772085 Energy: 0.8063805208676021 Energy: 0.7829153732765287 Energy: 0.8063805208832359 Energy: 0.7829153732765287 Energy: 0.7550990401188152 Energy: 0.15588171901374184 Energy: 0.7550990401201748 Energy: 0.15588171899063133 Energy: 0.755099040119495 Energy: 0.15588171899878797 Energy: 0.4262424052331877 Energy: 0.1624642427552798 Energy: 0.4262417273613075 Energy: 0.16246424275595953 Energy: 0.4262423021197075 Energy: 0.16246424275663926 Energy: 0.7621607921267691 Energy: 1.1786729300892191 Energy: 0.7621607921267691 Energy: 1.1786729300885395 Energy: 0.7621607921281286 Energy: 1.1786729300878598 Energy: 0.7454489044200736 Energy: 0.6893374480337547 Energy: 0.7454489044200736 Energy: 0.6893374480337547 Energy: 0.7454489044187143 Energy: 0.6893374480330748 Energy: 0.16653849447838043 Energy: 0.7754772224363846 Energy: 0.1665384944777007 Energy: 0.7754772224363846 Energy: 0.16653849447566152 Energy: 0.7754772224363846 Energy: 0.2303769557249436 Energy: 0.33731793484813516 Energy: 0.23037695575485131 Energy: 0.3373179348440568 Energy: 0.2303769558451925 Energy: 0.3373179348454162 Energy: 1.0917413552606638 Energy: 0.8416368080678011 Energy: 1.0917413552606638 Energy: 0.84163680807052 Energy: 1.0917413552599842 Energy: 0.84163680807052 Energy: 0.8416095424205745 Energy: 0.16222251303234658 Energy: 0.841609542419215 Energy: 0.1622225130241899 Energy: 0.8416095424198948 Energy: 0.16222251304186266 Energy: 0.7471315602640944 Energy: 0.6956816059505113 Energy: 0.7471315602634148 Energy: 0.6956816059505113 Energy: 0.7471315602634148 Energy: 0.6956816059505113 Energy: 0.08534255361852844 Energy: 0.3248939459302736 Energy: 0.0853425771645082 Energy: 0.4169651749824961 Energy: 0.08534256645549851 Energy: 0.4163694083230557 Energy: 0.7794738313930467 Energy: 0.6761351128324208 Energy: 0.7794738304622612 Energy: 0.6761351128310614 Energy: 0.7794738307795056 Energy: 0.6761351128310614 Energy: 0.33374849022044806 Energy: 0.21224471313309143 Energy: 0.32947362094201205 Energy: 0.21224471313445087 Energy: 0.3356720145138513 Energy: 0.21224471312493473 Energy: 0.7717762251918157 Energy: 0.6124600490298117 Energy: 0.771776225191136 Energy: 0.6124600490298117 Energy: 0.771776225191136 Energy: 0.6124600490304913 Energy: 0.08552866035175463 Energy: 1.0240499622423465 Energy: 0.08552847317645663 Energy: 1.0240499622423465 Energy: 0.08552844120292094 Energy: 1.024049962240987 Energy: 1.2163187941234876 Energy: 0.8662150805898834 Energy: 1.216318794122808 Energy: 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Energy: 0.3395790421738564 Energy: 0.6410318813748811 Energy: 0.3395937561111999 Energy: 0.6410318976751587 Energy: 0.33957755097922854 Energy: 0.23915431621476954 Energy: -0.5542870183905679 Energy: 0.24377612146253558 Energy: -0.5542870184113213 Energy: 0.24163489480779074 Energy: -0.5542870184556842 Energy: 0.7602263276047542 Energy: 0.16202986133043132 Energy: 0.7602263276047542 Energy: 0.16493891078587147 Energy: 0.7602263276053306 Energy: 0.16208640288058132 Energy: 0.7595300994291442 Energy: 0.780383361204316 Energy: 0.7595300994285676 Energy: 0.780383361204316 Energy: 0.7595300994285676 Energy: 0.780383361204316 Energy: 0.7126480563902247 Energy: 0.7399213834298201 Energy: 0.7126482738669688 Energy: 0.7399213834292436 Energy: 0.7126482701295866 Energy: 0.7399213834298201 minimum gb energy = -0.5542870184556842 eV minimum distance = 2.35095633180609 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.862391609768687 Energy: 0.7055624727410587 Energy: 0.8623916097679406 Energy: 0.7055624727410587 Energy: 0.862391609768687 Energy: 0.7055624727410587 Energy: 0.8464988013833026 Energy: 0.6538251219689855 Energy: 0.8464988013840489 Energy: 0.6538251219674927 Energy: 0.8464988013840489 Energy: 0.6538251219682389 Energy: 0.7553795173005275 Energy: 0.8309511884634887 Energy: 0.755379517324413 Energy: 0.8309511884634887 Energy: 0.755379517306499 Energy: 0.8309511884634887 Energy: 0.9579951895620851 Energy: 0.8000235614907792 Energy: 0.9579951895613724 Energy: 0.8000235610759391 Energy: 0.9579951895620851 Energy: 0.8000235614564437 Energy: 1.0833763792967572 Energy: 0.9686768075513051 Energy: 1.0833763792967572 Energy: 0.9686768075513051 Energy: 1.0833763792967572 Energy: 0.9686768075513051 Energy: 0.6728549078919953 Energy: 0.725727608251239 Energy: 0.6728549078927417 Energy: 0.725727608251239 Energy: 0.6728549078919953 Energy: 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Energy: -0.1434087741475207 Energy: 0.6543611386810154 Energy: -0.14286761763051367 Energy: 0.6543611386810154 Energy: -0.12580468860869984 Energy: 0.654361138680269 Energy: 0.7135253127575801 Energy: 0.7562433369089716 Energy: 0.7135253127612783 Energy: 0.7562433369089716 Energy: 0.7135253127590729 Energy: 0.7562433369089716 Energy: 0.6762494271228172 Energy: 0.6595309756930261 Energy: 0.6762494271220708 Energy: 0.6595309756937725 Energy: 0.6762494271213243 Energy: 0.6595309756922797 Energy: 0.9071766957842515 Energy: 0.23679804944921487 Energy: 0.9071766957849979 Energy: 0.2367980494499613 Energy: 0.9071766957849979 Energy: 0.23679804944921487 Energy: 0.6104694403822591 Energy: 0.8468757453163824 Energy: 0.6104694403815127 Energy: 0.8468757453163824 Energy: 0.6104694403822591 Energy: 0.8468757453163824 Energy: 0.7119183290023884 Energy: 0.7571676183761201 Energy: 0.7119183290023884 Energy: 0.7571676174412628 Energy: 0.7119183290023884 Energy: 0.7571676183462633 Energy: 0.6101558310352293 Energy: 0.846853282215267 Energy: 0.6101558310352293 Energy: 0.8468532822160134 Energy: 0.6101558310344829 Energy: 0.846853282215267 Energy: 0.9066732262296173 Energy: 0.1748912303519203 Energy: 0.9066732262303637 Energy: 0.17489123034598286 Energy: 0.9066732262296173 Energy: 0.1748912303631166 Energy: 0.6764402556745928 Energy: 0.6591306161228212 Energy: 0.676440255675339 Energy: 0.6591306161235677 Energy: 0.6764402556760856 Energy: 0.6591306161235677 Energy: 0.7134285909979821 Energy: 0.6584019381976602 Energy: 0.7134285908017753 Energy: 0.6584019381984066 Energy: 0.713428591070351 Energy: 0.6584019381984066 Energy: -0.12498516669745435 Energy: 0.6544060005047091 Energy: -0.12537606879987598 Energy: 0.6544060005047091 Energy: -0.12490964167860308 Energy: 0.6544060005047091 Energy: 0.9073029268701316 Energy: 0.1199859122575964 Energy: 0.9073029268701316 Energy: 0.11998591075644362 Energy: 0.9073029268701316 Energy: 0.11998591147718017 minimum gb energy = -0.1434087741475207 eV minimum distance = 2.35680322281087 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.8927571628530583 Energy: 0.7731638986662054 Energy: 0.8927571628530583 Energy: 0.7731638986662054 Energy: 0.8927571628530583 Energy: 0.7731638986662054 Energy: 0.711584200103439 Energy: 0.7034462488409028 Energy: 0.711584200103439 Energy: 0.7034462488387917 Energy: 0.711584200103439 Energy: 0.7034462488409028 Energy: 0.6926526643486325 Energy: 0.8828796705628301 Energy: 0.692652664349688 Energy: 0.8828796705628301 Energy: 0.692652664349688 Energy: 0.8828796705628301 Energy: 0.6037209261686636 Energy: 0.9123905109336395 Energy: 0.603720926167608 Energy: 0.9123905109336395 Energy: 0.6037209261644412 Energy: 0.9123905109336395 Energy: 0.8701649572786881 Energy: 0.8685926471509021 Energy: 0.8701649572406867 Energy: 0.8685926471509021 Energy: 0.8701649572058999 Energy: 0.8685926471509021 Energy: 0.818408750166191 Energy: 0.7799570808053798 Energy: 0.818408750166191 Energy: 0.7799570808053798 Energy: 0.818408750166191 Energy: 0.7799570808053798 Energy: 0.7334195784491242 Energy: 0.7072271529025437 Energy: 0.7334195784554577 Energy: 0.7072271529025437 Energy: 0.7334195784501799 Energy: 0.7072271529025437 Energy: 0.6036591916789114 Energy: 0.4351285906179252 Energy: 0.6036591916789114 Energy: 0.4351285906179252 Energy: 0.6036591916789114 Energy: 0.4351285906179252 Energy: 0.9027648066285545 Energy: 0.7034722406422235 Energy: 0.9027648066285545 Energy: 0.7034722406422235 Energy: 0.9027648066285545 Energy: 0.7034722406422235 Energy: 0.7513506055609658 Energy: 0.7110895250614189 Energy: 0.7513506055599102 Energy: 0.7110895250624744 Energy: 0.7513506055599102 Energy: 0.7110895250614189 Energy: 0.7289452005445701 Energy: 0.8683292192891872 Energy: 0.7289452005445701 Energy: 0.8683292192891872 Energy: 0.7289452005456258 Energy: 0.8683292192891872 Energy: 0.5827112592453934 Energy: 0.6691755683595423 Energy: 0.5827112592453934 Energy: 0.6691755683584866 Energy: 0.5827112592453934 Energy: 0.6691755683584866 Energy: 0.6485856757893588 Energy: 0.8686176918559002 Energy: 0.6485856757893588 Energy: 0.8686176918548446 Energy: 0.6485856757893588 Energy: 0.8686176918527333 Energy: 0.796215762609159 Energy: 0.9127590281950188 Energy: 0.796215762609159 Energy: 0.9127590281950188 Energy: 0.796215762609159 Energy: 0.9127590281950188 Energy: 0.8527101214843962 Energy: 0.7557757770158502 Energy: 0.8527101214854518 Energy: 0.7557757770158502 Energy: 0.8527101214833405 Energy: 0.7557757770147947 Energy: 0.8165856952975832 Energy: 0.7575973975467148 Energy: 0.8165856952986388 Energy: 0.7575973975467148 Energy: 0.8165856952975832 Energy: 0.7575973975467148 Energy: 0.7949740467424878 Energy: 0.7274831327283534 Energy: 0.7949740467424878 Energy: 0.7274831327283534 Energy: 0.7949740467424878 Energy: 0.7274831327283534 minimum gb energy = 0.4351285906179252 eV minimum distance = 2.32360746219305 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.7542124161962217 Energy: 0.6695757655885638 Energy: 0.7542124161966294 Energy: 0.6695757655889714 Energy: 0.7542124161958141 Energy: 0.6695757655889714 Energy: 0.6802765346866454 Energy: 0.7282494010429432 Energy: 0.6802765346854225 Energy: 0.7282494010433509 Energy: 0.6802765346870531 Energy: 0.7282494010429432 Energy: 0.6981561277245059 Energy: 0.7238849544605039 Energy: 0.6981561277253212 Energy: 0.7238849544588734 Energy: 0.698156127723283 Energy: 0.7238849544596887 Energy: 0.6220094115261112 Energy: 0.7615624866682741 Energy: 0.6220094115269265 Energy: 0.7615624866686816 Energy: 0.6220094115261112 Energy: 0.7615624866682741 Energy: 0.8094321881346258 Energy: 0.6318232955720126 Energy: 0.8094321881338106 Energy: 0.6318232955658981 Energy: 0.8094321881350335 Energy: 0.6318232955887256 Energy: 0.6871682805719984 Energy: 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0.6993647625296587 Energy: 0.7387799952639543 Energy: 0.7242632336224504 Energy: 0.7387799952639543 Energy: 0.7242632336220427 Energy: 0.7387799952635467 Energy: 0.7242632336208198 Energy: 0.795546864007863 Energy: 0.9285640200800852 Energy: 0.7955468640559268 Energy: 0.9285640200809003 Energy: 0.7955468640310611 Energy: 0.9285640200804929 Energy: 0.6824988123260683 Energy: 0.7090705433298802 Energy: 0.6824988123268836 Energy: 0.7090705433294725 Energy: 0.6824988123281065 Energy: 0.7090705433298802 Energy: 0.6870326309983915 Energy: 0.662269742757339 Energy: 0.6870326309979838 Energy: 0.662269742757339 Energy: 0.6870326309983915 Energy: 0.6622697427577466 Energy: 0.8095806633650985 Energy: 0.6309002800056052 Energy: 0.8095806633667288 Energy: 0.6309002800051975 Energy: 0.8095806633650985 Energy: 0.6309002800051975 Energy: 0.6273061486268401 Energy: 0.7615439215518682 Energy: 0.627306148628063 Energy: 0.7615439215518682 Energy: 0.6273061486268401 Energy: 0.7615439215522758 Energy: 0.6983653687718883 Energy: 0.7240664435627702 Energy: 0.6983653687718883 Energy: 0.7240664435627702 Energy: 0.6983653687722958 Energy: 0.7240664435627702 Energy: 0.6801131167487582 Energy: 0.7404149725980316 Energy: 0.6801131167483505 Energy: 0.7404149725988469 Energy: 0.6801131167483505 Energy: 0.7404149725980316 Energy: 0.7542124161966294 Energy: 0.669575765589379 Energy: 0.7542124161966294 Energy: 0.6695757655889714 Energy: 0.7542124161974447 Energy: 0.6695757655889714 Energy: 0.6802765346850148 Energy: 0.728249401042128 Energy: 0.6802765346841996 Energy: 0.728249401042128 Energy: 0.6802765346850148 Energy: 0.728249401042128 Energy: 0.698156127726544 Energy: 0.7238849544605039 Energy: 0.6981561277273594 Energy: 0.7238849544600963 Energy: 0.6981561277245059 Energy: 0.723884954459281 Energy: 0.622009411525296 Energy: 0.7889679097411975 Energy: 0.6220094115261112 Energy: 0.7889679097411975 Energy: 0.6220094115257035 Energy: 0.78896790974079 Energy: 0.8094321881362563 Energy: 0.6318232954396057 Energy: 0.8094321881350335 Energy: 0.6318232954453126 Energy: 0.809432188136664 Energy: 0.631823295439198 minimum gb energy = 0.5822646586058622 eV minimum distance = 2.34240951039143 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6741598673576226 Energy: 0.6027707942927137 Energy: 0.6741598673549676 Energy: 0.6027707942913862 Energy: 0.6741598673562952 Energy: 0.6027707942933774 Energy: 0.7233776947615882 Energy: 0.6559211332806355 Energy: 0.7233776947622519 Energy: 0.6559211332806355 Energy: 0.7233776947615882 Energy: 0.6559211332799718 Energy: 0.7014910747914661 Energy: 0.6525599605145775 Energy: 0.7014910747914661 Energy: 0.6525599605145775 Energy: 0.7014910747901386 Energy: 0.6525599605145775 Energy: 0.5706758073288897 Energy: 0.6968577237290539 Energy: 0.5706758073315445 Energy: 0.6968577237290539 Energy: 0.5706758073288897 Energy: 0.6968577237290539 Energy: 0.7242692640693709 Energy: 0.6254539469778371 Energy: 0.7242692640687071 Energy: 0.6254539469785008 Energy: 0.7242692640706982 Energy: 0.6254539469778371 Energy: 0.619239858659774 Energy: 0.5931425990851049 Energy: 0.6192398586591104 Energy: 0.5931425990857687 Energy: 0.619239858660438 Energy: 0.5931425990851049 Energy: 0.8233107435627445 Energy: 0.6761536664973742 Energy: 0.8233107435627445 Energy: 0.6761536664973742 Energy: 0.8233107435634082 Energy: 0.6761536664980379 Energy: 0.8347704822303826 Energy: 0.8419419658156597 Energy: 0.8347704822303826 Energy: 0.841941965814996 Energy: 0.8347704822303826 Energy: 0.8419419658156597 Energy: 0.6383988251106834 Energy: 0.5944211220332992 Energy: 0.6383988251120107 Energy: 0.5944211220319716 Energy: 0.6383988251120107 Energy: 0.5944211220313079 Energy: 0.7242036691087327 Energy: 0.6522295688717079 Energy: 0.7242036691093963 Energy: 0.6522295688717079 Energy: 0.7242036691093963 Energy: 0.6522295688723717 Energy: 0.8232567755656888 Energy: 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0.6675835575774821 Energy: 0.6259530292622811 Energy: 0.6675835575774821 Energy: 0.6742624815152496 Energy: 0.7706918255825791 Energy: 0.6742624815159133 Energy: 0.7706918255825791 Energy: 0.674262481516577 Energy: 0.7706918255832428 Energy: 0.6652780722765362 Energy: 0.8511726947967911 Energy: 0.6652780722772 Energy: 0.8511726947961273 Energy: 0.6652780722758727 Energy: 0.8511726947967911 Energy: 0.6057653356666464 Energy: 0.6661135603615846 Energy: 0.6057653356659826 Energy: 0.6661135603615846 Energy: 0.6057653356659826 Energy: 0.6661135603615846 Energy: 0.5715753074185727 Energy: 0.7683383428644993 Energy: 0.5715753074185727 Energy: 0.7683383428651631 Energy: 0.5715753074185727 Energy: 0.7683383428644993 minimum gb energy = 0.5706758073288897 eV minimum distance = 2.31139670845831 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.8013010917379495 Energy: 0.5257888173156654 Energy: 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Energy: -0.039717179383535 Energy: -0.07446648401260231 Energy: -0.040614547505084156 Energy: -0.07446648401260231 Energy: -0.040614547505084156 Energy: -0.07446648401260231 Energy: -0.040614547505084156 Energy: 0.9051385106729551 Energy: -0.040644088175133715 Energy: 0.9051385106711783 Energy: -0.040644088175133715 Energy: 0.9051385106729551 Energy: -0.04064408817691055 Energy: 0.9051444795622912 Energy: -0.03971717961262563 Energy: 0.9051444795605142 Energy: -0.039717179610848787 Energy: 0.9051444795622912 Energy: -0.03971717961795613 Energy: -0.07446648401260231 Energy: -0.040614547505084156 Energy: -0.07446648401260231 Energy: -0.040614547505084156 Energy: -0.07446648401260231 Energy: -0.040614547505084156 minimum gb energy = -0.07446648401260231 eV minimum distance = 2.52335498610102 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.3362656357308499 Energy: 0.1681924240889506 Energy: 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0.016566487912766183 Energy: 0.404238250400152 Energy: 0.016566487916554403 Energy: 0.40423825039939426 Energy: 0.01656648791125089 Energy: 0.4042382504009096 Energy: 0.2820039253796314 Energy: 0.12276138999462956 Energy: 0.2820039253796314 Energy: 0.12283149636815296 Energy: 0.2820039253796314 Energy: 0.1232753762581249 Energy: 0.4527676106057987 Energy: -0.20096322327159255 Energy: 0.4527676106057987 Energy: -0.20096322327235022 Energy: 0.45276761060504095 Energy: -0.20096322327235022 minimum gb energy = -0.20299933981468243 eV minimum distance = 2.35618951287245 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.37976518471516363 Energy: 0.5330415666247592 Energy: 0.37976518471852805 Energy: 0.5330415666252399 Energy: 0.37976518471612486 Energy: 0.5330415666252399 Energy: 0.4644988006193882 Energy: 0.25083061406438567 Energy: 0.4644988006189075 Energy: 0.25083061406342444 Energy: 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Energy: 0.24000348550619166 Energy: 0.5328939527357244 Energy: 0.24000348550715295 Energy: 0.5328939527357244 Energy: 0.2400034855066723 Energy: 0.5328939527357244 Energy: 0.23964295471231073 Energy: 0.7079948069262619 Energy: 0.239642954713272 Energy: 0.7079948069272233 Energy: 0.239642954713272 Energy: 0.7079948069267425 Energy: 0.5858659648100661 Energy: 0.24898484998770273 Energy: 0.5858659648100661 Energy: 0.24898484998770273 Energy: 0.5858659648091049 Energy: 0.24898484998818335 Energy: 0.4269044300548949 Energy: 0.5907028664069468 Energy: 0.4269044300548949 Energy: 0.5907028664069468 Energy: 0.42690443005393364 Energy: 0.5907028664069468 Energy: 0.3323283149070054 Energy: 0.3493917319454694 Energy: 0.33232831556761716 Energy: 0.3493920045658529 Energy: 0.33232831422336684 Energy: 0.34939153427190095 Energy: 0.5499442319820985 Energy: 0.24816223470927665 Energy: 0.5499442319816178 Energy: 0.24816223471119922 Energy: 0.5499442319820985 Energy: 0.24816223471119922 Energy: 0.4268356156359071 Energy: 0.4925037076285278 Energy: 0.4268356156349459 Energy: 0.4925037076285278 Energy: 0.42683561563542644 Energy: 0.4925037076290085 Energy: 0.4229755245381477 Energy: 0.24687680737774617 Energy: 0.42297552453718645 Energy: 0.24687680737774617 Energy: 0.4229755245381477 Energy: 0.24687680737774617 Energy: 0.48285731224040246 Energy: 0.2423419816298786 Energy: 0.48285731224088296 Energy: 0.24234198163035925 Energy: 0.48285731224040246 Energy: 0.2423419816298786 Energy: -0.17701893950434053 Energy: 0.43397818084927536 Energy: -0.17701893950434053 Energy: 0.43397818085071727 Energy: -0.1770189395057824 Energy: 0.43397818084927536 Energy: 0.44895194314408116 Energy: 0.43101316927196087 Energy: 0.44895194314360054 Energy: 0.43101316927244154 Energy: 0.4489519431445618 Energy: 0.43101316927292216 minimum gb energy = -0.17808043476210828 eV minimum distance = 2.37014360722375 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.737963685050216 Energy: 0.7777778929823274 Energy: 0.737963685050216 Energy: 0.7777778929823274 Energy: 0.7379636850515283 Energy: 0.7777778929823274 Energy: 0.7790317327032279 Energy: 0.7783539321679104 Energy: 0.7790317327019156 Energy: 0.7783539321679104 Energy: 0.7790317327019156 Energy: 0.7783539321679104 Energy: 0.9399313488001182 Energy: 0.7800502678493126 Energy: 0.9399313488001182 Energy: 0.7800502678480004 Energy: 0.9399313488001182 Energy: 0.7800502678480004 Energy: 0.7236931832484942 Energy: 0.8634627411881487 Energy: 0.7236931832484942 Energy: 0.8634627411881487 Energy: 0.7236931832498065 Energy: 0.8634627411881487 Energy: 0.8975921968867923 Energy: 0.784356187087333 Energy: 0.8975921968867923 Energy: 0.784356187087333 Energy: 0.8975921968867923 Energy: 0.784356187087333 Energy: 0.8484452404243888 Energy: 0.8410703970106835 Energy: 0.8484452404243888 Energy: 0.8410703970106835 Energy: 0.8484452404243888 Energy: 0.8410703970093714 Energy: 0.741163130903451 Energy: 0.8119066687901049 Energy: 0.741163130903451 Energy: 0.8119066687901049 Energy: 0.741163130903451 Energy: 0.8119066687901049 Energy: 0.7583068101602493 Energy: 0.7797472339957542 Energy: 0.7583068101602493 Energy: 0.7797472339957542 Energy: 0.7583068101602493 Energy: 0.7797472339957542 Energy: 0.7799454515131852 Energy: 0.7807122457131014 Energy: 0.7799454515131852 Energy: 0.7807122457131014 Energy: 0.7799454515131852 Energy: 0.7807122457131014 Energy: 0.7241272220864596 Energy: 0.8356303820280105 Energy: 0.7241272220851473 Energy: 0.8356303820280105 Energy: 0.7241272220851473 Energy: 0.8356303820280105 Energy: 0.7719356261631594 Energy: 0.7807486433277732 Energy: 0.7719356261631594 Energy: 0.7807486433264609 Energy: 0.7719356261631594 Energy: 0.7807486433264609 Energy: 0.7717706269490228 Energy: 0.7785540780522041 Energy: 0.7717706269490228 Energy: 0.7785540780535164 Energy: 0.7717706269490228 Energy: 0.7785540780535164 Energy: 0.7546702749828218 Energy: 0.8642660369534413 Energy: 0.7546702749828218 Energy: 0.8642660369521291 Energy: 0.7546702749828218 Energy: 0.8642660369534413 Energy: 0.8307593765341513 Energy: 0.7797216445229245 Energy: 0.8307593765341513 Energy: 0.7797216445242368 Energy: 0.8307593765341513 Energy: 0.7797216445242368 minimum gb energy = 0.7236931832484942 eV minimum distance = 2.36816902129705 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.8849356869001908 Energy: 1.080076248693704 Energy: 0.8849356868961554 Energy: 1.080076248693704 Energy: 0.8849356868973083 Energy: 1.080076248693704 Energy: 0.9645534873099635 Energy: 0.9587230799522919 Energy: 0.964553487309387 Energy: 0.9587230799534447 Energy: 0.9645534873099635 Energy: 0.9587230799511387 Energy: 1.0978949961052948 Energy: 0.9793183780690351 Energy: 1.0978949961058715 Energy: 0.9793183780684586 Energy: 1.0978949961058715 Energy: 0.9793183780684586 Energy: 0.9751342414371071 Energy: 1.0272253529509603 Energy: 0.9751342414371071 Energy: 1.0272253529509603 Energy: 0.9751342414376836 Energy: 1.0272253529503839 Energy: 1.0207986355053305 Energy: 1.0217689173834563 Energy: 1.0207986355053305 Energy: 1.0217689173834563 Energy: 1.0207986355053305 Energy: 1.0217689173834563 Energy: 1.0134710159858047 Energy: 0.9508788902889422 Energy: 1.0134710159858047 Energy: 0.9508788902843304 Energy: 1.0134710159858047 Energy: 0.9508788902837537 Energy: 0.9796531302283954 Energy: 1.0347357274890616 Energy: 0.9796531302283954 Energy: 1.0347357274890616 Energy: 0.9796531302283954 Energy: 1.0347357274890616 Energy: 1.0445061818380164 Energy: 0.9311165474896023 Energy: 1.0445061818380164 Energy: 0.931116547489026 Energy: 1.0445061818380164 Energy: 0.931116547489026 Energy: 1.0457094068901398 Energy: 0.9279650240976504 Energy: 1.0457094068901398 Energy: 0.9279650240976504 Energy: 1.0457094068907162 Energy: 0.9279650240976504 Energy: 1.0286396724217914 Energy: 1.0678182321446803 Energy: 1.0286396724212152 Energy: 1.0678182321446803 Energy: 1.028639672422368 Energy: 1.067818232145257 Energy: 0.9970350230914458 Energy: 1.0109749485484028 Energy: 0.9970350230914458 Energy: 1.0109749485484028 Energy: 0.9970350230914458 Energy: 1.0109749485489792 Energy: 1.0116904875713857 Energy: 1.0125389362828672 Energy: 1.0116904875713857 Energy: 1.0125389362834436 Energy: 1.0116904875713857 Energy: 1.0125389362788317 Energy: 0.9449918806747579 Energy: 1.0255148452602665 Energy: 0.9449918806753345 Energy: 1.0255148452596898 Energy: 0.9449918806753345 Energy: 1.0255148452602665 Energy: 1.0559721748780815 Energy: 0.9552570465806691 Energy: 1.055972174878658 Energy: 0.9552570465864338 Energy: 1.0559721748780815 Energy: 0.9552570465812457 Energy: 0.9687201645293166 Energy: 1.0254307652327692 Energy: 0.9687201645310463 Energy: 1.0254307652327692 Energy: 0.9687201645310463 Energy: 1.0254307652327692 Energy: 0.9790291489934619 Energy: 1.0843648966356918 Energy: 0.9790291489934619 Energy: 1.0843648966362682 Energy: 0.9790291489940383 Energy: 1.0843648966362682 Energy: 0.9908630609589081 Energy: 0.9568041744467678 Energy: 0.9908630609594845 Energy: 0.9568041744467678 Energy: 0.9908630609589081 Energy: 0.9568041744467678 Energy: 1.029729340022854 Energy: 1.0504482904769934 Energy: 1.029729340022854 Energy: 1.0504482904769934 Energy: 1.029729340022854 Energy: 1.0504482904769934 Energy: 0.9849281505388194 Energy: 0.9993376654809866 Energy: 0.9849281505376666 Energy: 0.99933766548041 Energy: 0.9849281505388194 Energy: 0.9993376654809866 Energy: 1.0874034451224475 Energy: 0.9874552497823451 Energy: 1.087403445121871 Energy: 0.9874552497823451 Energy: 1.0874034451224475 Energy: 0.9874552497823451 Energy: 0.9873100271664312 Energy: 1.024517109757242 Energy: 0.9873100271721961 Energy: 1.0245171097578185 Energy: 0.9873100271727726 Energy: 1.024517109757242 Energy: 0.9249880128614827 Energy: 1.0743398787681098 Energy: 0.9249880128609062 Energy: 1.0743398787686864 Energy: 0.9249880128591766 Energy: 1.0743398787686864 Energy: 1.0615068217337493 Energy: 0.9699138443109818 Energy: 1.0615068217337493 Energy: 0.9699138443109818 Energy: 1.0615068217337493 Energy: 0.9699138443109818 Energy: 1.0453583161951625 Energy: 0.9599528149947503 Energy: 1.045358316194586 Energy: 0.9599528149953005 Energy: 1.045358316194586 Energy: 0.9599528149953005 Energy: 1.0266340614300518 Energy: 0.9970221143715107 Energy: 1.0266340614300518 Energy: 0.9970221143720872 Energy: 1.0266340614300518 Energy: 0.9970221143720872 Energy: 1.028508192535467 Energy: 1.0121043811178174 Energy: 1.0285081925360435 Energy: 1.0121043811178174 Energy: 1.028508192535467 Energy: 1.0121043811178174 Energy: 0.9948772644195714 Energy: 1.1065532285754969 Energy: 0.9948772644195714 Energy: 1.1065532285754969 Energy: 0.9948772644195714 Energy: 1.1065532285754969 Energy: 0.9489797715367421 Energy: 0.9955127509470564 Energy: 0.9489797715367421 Energy: 0.9955127509470564 Energy: 0.9489797715361655 Energy: 0.9955127509470564 Energy: 0.9976758351541991 Energy: 0.9507654585497696 Energy: 0.9976758351536226 Energy: 0.9507654585497696 Energy: 0.9976758351541991 Energy: 0.9507654585497696 Energy: 1.0202571267861926 Energy: 0.9769347275373655 Energy: 1.0202571267861926 Energy: 0.976934727537942 Energy: 1.0202571267861926 Energy: 0.9769347275373655 Energy: 0.9790687505516228 Energy: 1.060984790022989 Energy: 0.9790687505510463 Energy: 1.060984790022989 Energy: 0.9790687505516228 Energy: 1.060984790022989 minimum gb energy = 0.8849356868961554 eV minimum distance = 2.28250640703811 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.07206125525679 Energy: 1.1849540190783951 Energy: 1.07206125525679 Energy: 1.1849540190783951 Energy: 1.072061255257816 Energy: 1.1849540190773689 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.0628255994672011 Energy: 1.347272840953302 Energy: 1.062825599468227 Energy: 1.3472728409543275 Energy: 1.062825599468227 Energy: 1.3472728409522758 Energy: 1.2299830149433266 Energy: 1.1151502948980203 Energy: 1.2299830149443527 Energy: 1.1151502948980203 Energy: 1.2299830149433266 Energy: 1.1151502948980203 Energy: 1.0720432835718838 Energy: 1.1854048312430534 Energy: 1.0720432835718838 Energy: 1.1854048312430534 Energy: 1.0720432835718838 Energy: 1.1854048312420273 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.07206125525679 Energy: 1.1849540190804466 Energy: 1.07206125525679 Energy: 1.1849540190794208 Energy: 1.07206125525679 Energy: 1.1849540190804466 Energy: 1.2300921397199382 Energy: 1.1151397948690387 Energy: 1.2300921397189126 Energy: 1.1151397948690387 Energy: 1.2300921397189126 Energy: 1.1151397948690387 Energy: 1.062825599469253 Energy: 1.3526930862324833 Energy: 1.062825599469253 Energy: 1.3526930862335091 Energy: 1.062825599468227 Energy: 1.3526930862335091 Energy: 1.2299830149433266 Energy: 1.1151502948980203 Energy: 1.2299830149433266 Energy: 1.1151502948980203 Energy: 1.2299830149433266 Energy: 1.1151502948980203 Energy: 1.0720432835718838 Energy: 1.1854048312410015 Energy: 1.0720432835718838 Energy: 1.1854048312410015 Energy: 1.0720432835718838 Energy: 1.1854048312410015 Energy: 1.2281811395190863 Energy: 1.2380540825730055 Energy: 1.2281811395190863 Energy: 1.2380540825730055 Energy: 1.2281811395190863 Energy: 1.2380540825740316 Energy: 1.07206125525679 Energy: 1.1849540190783951 Energy: 1.07206125525679 Energy: 1.1849540190783951 Energy: 1.07206125525679 Energy: 1.1849540190783951 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.2300921397199382 Energy: 1.1151397948680128 Energy: 1.0628255994672011 Energy: 1.2157860363197182 Energy: 1.062825599468227 Energy: 1.2157860363197182 Energy: 1.062825599468227 Energy: 1.2157860363186923 Energy: 1.2299830149443527 Energy: 1.1151502948980203 Energy: 1.2299830149443527 Energy: 1.1151502948980203 Energy: 1.2299830149433266 Energy: 1.1151502948980203 minimum gb energy = 1.0628255994672011 eV minimum distance = 2.3447452139222 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 1.349576277239609 Energy: 1.012113666690091 Energy: 1.349576277239609 Energy: 1.0121136666892534 Energy: 1.349576277239609 Energy: 1.012113666690091 Energy: 1.1210156627930106 Energy: 1.1888585033688384 Energy: 1.1210156627930106 Energy: 1.1888585033688384 Energy: 1.1210156627938483 Energy: 1.1888585033688384 Energy: 1.0655734845071512 Energy: 1.0585832254816696 Energy: 1.065573484504638 Energy: 1.0585832254825074 Energy: 1.0655734845063136 Energy: 1.0585832254816696 Energy: 1.065601171650765 Energy: 1.1111634156544428 Energy: 1.065601171650765 Energy: 1.1111634156544428 Energy: 1.0656011716499274 Energy: 1.1111634156544428 Energy: 1.1202356553180162 Energy: 1.183109958850501 Energy: 1.1202356553180162 Energy: 1.1831099588496634 Energy: 1.1202356553180162 Energy: 1.183109958850501 Energy: 1.1464558516561645 Energy: 1.1420384325048032 Energy: 1.1464558516561645 Energy: 1.1420384325048032 Energy: 1.1464558516561645 Energy: 1.1420384325048032 Energy: 1.0647688577900716 Energy: 1.1261402459466707 Energy: 1.0647688577900716 Energy: 1.1261402459466707 Energy: 1.0647688577909091 Energy: 1.1261402459466707 Energy: 1.1596467346035735 Energy: 1.1080273822693087 Energy: 1.1596467346035735 Energy: 1.1080273822693087 Energy: 1.1596467346035735 Energy: 1.1080273822684712 Energy: 1.160912179661061 Energy: 1.122781733172225 Energy: 1.1609121796618986 Energy: 1.122781733172225 Energy: 1.160912179661061 Energy: 1.1227817331730627 Energy: 1.1294153157287972 Energy: 1.0629429896951068 Energy: 1.1294153157287972 Energy: 1.0629429896959444 Energy: 1.1294153157287972 Energy: 1.0629429896959444 Energy: 1.0995683368300704 Energy: 1.115165351648969 Energy: 1.0995683368300704 Energy: 1.115165351648969 Energy: 1.0995683368292328 Energy: 1.115165351648969 Energy: 1.250809323685952 Energy: 1.20295992292697 Energy: 1.2508093236867897 Energy: 1.2029599229311578 Energy: 1.2508093236867897 Energy: 1.2029599229278076 Energy: 1.1313913991906528 Energy: 1.1567444482985636 Energy: 1.1313913991906528 Energy: 1.1567444482977256 Energy: 1.1313913991906528 Energy: 1.1567444482977256 Energy: 1.0935051027984761 Energy: 1.1470688436040062 Energy: 1.0935051027984761 Energy: 1.1470688436040062 Energy: 1.0935051027984761 Energy: 1.1470688436040062 Energy: 1.1522848057463504 Energy: 1.0774835192254515 Energy: 1.1522848057455126 Energy: 1.0774835192254515 Energy: 1.1522848057455126 Energy: 1.0774835192254515 Energy: 1.1253455788755942 Energy: 1.162800318184943 Energy: 1.1253455788747566 Energy: 1.162800318180755 Energy: 1.1253455788747566 Energy: 1.162800318178242 Energy: 1.0889113218568103 Energy: 1.1910145782785557 Energy: 1.0889113218568103 Energy: 1.1910145782785557 Energy: 1.0889113218568103 Energy: 1.1910145782793933 Energy: 1.349374515144713 Energy: 1.1404574143758663 Energy: 1.3493745151430376 Energy: 1.1404574143758663 Energy: 1.3493745151438752 Energy: 1.1404574143758663 Energy: 1.0538694907813269 Energy: 1.1238814231720196 Energy: 1.0538694907813269 Energy: 1.123881423172857 Energy: 1.0538694907813269 Energy: 1.123881423172857 Energy: 1.1815134978890396 Energy: 1.0299976335917078 Energy: 1.1815134978890396 Energy: 1.0299976335908703 Energy: 1.1815134978898771 Energy: 1.0299976335917078 Energy: 1.2171654615136904 Energy: 1.2020520241811294 Energy: 1.2171654615120153 Energy: 1.2020520241811294 Energy: 1.2171654615136904 Energy: 1.2020520241811294 minimum gb energy = 1.0121136666892534 eV minimum distance = 2.30173470591633 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.306751815526308 Energy: 1.1601675298185843 Energy: 1.3067518155270141 Energy: 1.1601675298192904 Energy: 1.3067518155270141 Energy: 1.1601675298178784 Energy: 1.2541757472852222 Energy: 1.1644305389764504 Energy: 1.2541757472852222 Energy: 1.1644305389764504 Energy: 1.2541757472852222 Energy: 1.164430538975744 Energy: 1.1524574201002398 Energy: 1.164224593353953 Energy: 1.152457420099534 Energy: 1.164224593353953 Energy: 1.1524574201002398 Energy: 1.164224593353953 Energy: 1.274427397515686 Energy: 1.1708674140375934 Energy: 1.274427397515686 Energy: 1.1708674140382993 Energy: 1.274427397515686 Energy: 1.1708674140382993 Energy: 1.1849784677313395 Energy: 1.226073519098094 Energy: 1.1849784677299597 Energy: 1.226073519097388 Energy: 1.1849784677299597 Energy: 1.226073519098094 Energy: 1.1569545305592368 Energy: 1.2826118813625655 Energy: 1.1569545305542948 Energy: 1.2826118813618597 Energy: 1.1569545305592368 Energy: 1.2826118813618597 Energy: 1.2108653210369758 Energy: 1.2531747679911642 Energy: 1.2108653210362696 Energy: 1.253174767990458 Energy: 1.2108653210369758 Energy: 1.2531747679911642 Energy: 1.2272979339999301 Energy: 1.1527260925810074 Energy: 1.2272979339999301 Energy: 1.1527260925810074 Energy: 1.2272979339999301 Energy: 1.1527260925810074 Energy: 1.1887315117222843 Energy: 1.1176455151279625 Energy: 1.188731511723664 Energy: 1.1176455152613403 Energy: 1.1887315117215782 Energy: 1.117645515171737 Energy: 1.2791832813803965 Energy: 1.1438970561105806 Energy: 1.2791832813803965 Energy: 1.1438970561105806 Energy: 1.2791832813803965 Energy: 1.1438970561105806 Energy: 1.2906877888702233 Energy: 1.1916653881004384 Energy: 1.2906877888716355 Energy: 1.1916653881004384 Energy: 1.2906877888702233 Energy: 1.1916653881011443 Energy: 1.1320602613907753 Energy: 1.244078639444335 Energy: 1.1320602613914812 Energy: 1.244078639444335 Energy: 1.1320602613914812 Energy: 1.244078639444335 Energy: 1.2315575521589537 Energy: 1.1844789851392787 Energy: 1.2315575521582478 Energy: 1.1844789851399848 Energy: 1.2315575521589537 Energy: 1.1844789851392787 Energy: 1.2008413331783128 Energy: 1.1969696978699385 Energy: 1.200841333179019 Energy: 1.1969696978699385 Energy: 1.200841333179019 Energy: 1.1969696978699385 Energy: 1.2017446351564498 Energy: 1.200437706443399 Energy: 1.2017446351557437 Energy: 1.200437706443399 Energy: 1.2017446351557437 Energy: 1.200437706440575 Energy: 1.1646628210316738 Energy: 1.2302346342404007 Energy: 1.1646628210316738 Energy: 1.2302346342404007 Energy: 1.1646628210316738 Energy: 1.2302346342404007 Energy: 1.2497044724028366 Energy: 1.157786602578158 Energy: 1.2497044724021307 Energy: 1.157786602578158 Energy: 1.2497044724021307 Energy: 1.157786602578158 Energy: 1.1533626536691746 Energy: 1.1901761297548468 Energy: 1.1533626536691746 Energy: 1.1901761297548468 Energy: 1.1533626536691746 Energy: 1.190176129755553 Energy: 1.1254709853115792 Energy: 1.1576759446585856 Energy: 1.1254709853108729 Energy: 1.1576759446585856 Energy: 1.125470985310167 Energy: 1.1576759446585856 Energy: 1.306751815526308 Energy: 1.160167529811524 Energy: 1.3067518155248958 Energy: 1.1601675298108178 Energy: 1.3067518155248958 Energy: 1.1601675298108178 Energy: 1.2541757472859283 Energy: 1.1644305389771563 Energy: 1.2541757472852222 Energy: 1.1644305389764504 Energy: 1.2541757472852222 Energy: 1.1644305389764504 Energy: 1.1524574200988276 Energy: 1.164224593353953 Energy: 1.1524574201009457 Energy: 1.164224593353953 Energy: 1.1524574201009457 Energy: 1.164224593353953 Energy: 1.274427397516392 Energy: 1.1708674140375934 Energy: 1.274427397516392 Energy: 1.1708674140375934 Energy: 1.274427397516392 Energy: 1.1708674140375934 Energy: 1.1849784677306336 Energy: 1.226073519098094 Energy: 1.1849784677299597 Energy: 1.226073519098094 Energy: 1.1849784677299597 Energy: 1.226073519098094 Energy: 1.156954530559943 Energy: 1.2826118813625655 Energy: 1.1569545305578248 Energy: 1.2826118813625655 Energy: 1.156954530559943 Energy: 1.2826118813632716 minimum gb energy = 1.1176455151279625 eV minimum distance = 2.3011330511816 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 1.283432060849976 Energy: 1.0566606159512364 Energy: 1.283432060849976 Energy: 1.0566606159512364 Energy: 1.2834320608505856 Energy: 1.0566606159512364 Energy: 1.0843866587356283 Energy: 1.1364183369344223 Energy: 1.0843866587356283 Energy: 1.136418336935032 Energy: 1.0843866587356283 Energy: 1.1364183369344223 Energy: 1.1304675305171343 Energy: 1.1497883241723375 Energy: 1.1304675305177438 Energy: 1.1497883241723375 Energy: 1.1304675305171343 Energy: 1.1497883241723375 Energy: 1.1911241891532094 Energy: 1.0361671976684823 Energy: 1.1911241891532094 Energy: 1.0361671976690918 Energy: 1.1911241891532094 Energy: 1.0361671976690918 Energy: 1.1129088216882475 Energy: 1.1015644648359568 Energy: 1.1129088216882475 Energy: 1.1015644648359568 Energy: 1.1129088216882475 Energy: 1.1015644648365663 Energy: 1.026096991698865 Energy: 1.2063091856315984 Energy: 1.026096991698865 Energy: 1.2063091856315984 Energy: 1.026096991698865 Energy: 1.2063091856315984 Energy: 1.1042431860303255 Energy: 1.0808868194299457 Energy: 1.104243186030935 Energy: 1.0808868194299457 Energy: 1.104243186030935 Energy: 1.0808868194299457 Energy: 1.1640407852188468 Energy: 1.0883068490403218 Energy: 1.1640407852188468 Energy: 1.0883068490403218 Energy: 1.1640407852188468 Energy: 1.0883068490403218 Energy: 1.0852167140699653 Energy: 1.1950632265250039 Energy: 1.0852167140687465 Energy: 1.1950632265250039 Energy: 1.085216714069356 Energy: 1.1950632265243943 Energy: 1.1470507005057986 Energy: 1.1086572715259233 Energy: 1.1470507005064081 Energy: 1.1086572715271423 Energy: 1.147050700505189 Energy: 1.1086572715265328 Energy: 1.181815166532277 Energy: 1.1271545862651748 Energy: 1.1818151665328864 Energy: 1.1271545862651748 Energy: 1.1818151665328864 Energy: 1.1271545862651748 Energy: 1.0922455167879028 Energy: 1.123074734521641 Energy: 1.0922455167873208 Energy: 1.123074734521641 Energy: 1.0922455167873208 Energy: 1.123074734521641 Energy: 1.0634801176775786 Energy: 1.1095469562991749 Energy: 1.063480117678188 Energy: 1.1095469562991749 Energy: 1.0634801176769693 Energy: 1.1095469562991749 Energy: 1.2313168009343964 Energy: 0.9976128719275407 Energy: 1.231316800935006 Energy: 0.9976128719269312 Energy: 1.231316800935006 Energy: 0.9976128719275407 Energy: 1.095261005840434 Energy: 1.067791826398078 Energy: 1.0952610058398244 Energy: 1.067791826398078 Energy: 1.095261005840434 Energy: 1.067791826398078 Energy: 1.1117709714657615 Energy: 1.1641821868549882 Energy: 1.1117709714657615 Energy: 1.1641821868549882 Energy: 1.1117709714657615 Energy: 1.1641821868549882 Energy: 1.180196129170748 Energy: 1.0945542263802892 Energy: 1.180196129170748 Energy: 1.0945542263802892 Energy: 1.180196129170748 Energy: 1.0945542263802892 Energy: 1.0570370372721984 Energy: 1.1103219106216682 Energy: 1.0570370372715892 Energy: 1.1103219106192304 Energy: 1.0570370372721984 Energy: 1.1103219106216682 Energy: 1.0557602131574297 Energy: 1.1962958107798107 Energy: 1.0557602131568204 Energy: 1.1962958107798107 Energy: 1.0557602131568204 Energy: 1.1962958107798107 Energy: 1.1246589075216646 Energy: 1.0021892624810609 Energy: 1.1246589075216646 Energy: 1.0021892624804514 Energy: 1.1246589075216646 Energy: 1.0021892624810609 Energy: 1.1552263475764275 Energy: 1.0812281496712688 Energy: 1.1552263475764275 Energy: 1.0812281496712688 Energy: 1.1552263475764275 Energy: 1.0812281496712688 Energy: 1.1168985851021835 Energy: 1.1562004812051325 Energy: 1.1168985851021835 Energy: 1.1562004812051325 Energy: 1.1168985851021835 Energy: 1.156200481204523 Energy: 1.1198433497411544 Energy: 1.0347550510706296 Energy: 1.1198433497478586 Energy: 1.03475505107002 Energy: 1.11984334974603 Energy: 1.0347550510706296 Energy: 1.1404146948082783 Energy: 1.1056788233892854 Energy: 1.1404146948088878 Energy: 1.1056788233892854 Energy: 1.1404146948082783 Energy: 1.1056788233886758 Energy: 0.9909310259161768 Energy: 1.1304770791322778 Energy: 0.9909310259161768 Energy: 1.1304770791322778 Energy: 0.9909310259161768 Energy: 1.1304770791322778 Energy: 1.082663364230685 Energy: 1.154184179093466 Energy: 1.0826633642312944 Energy: 1.154184179093466 Energy: 1.082663364230685 Energy: 1.1541841790928564 Energy: 1.1808268611612942 Energy: 1.0467647319462727 Energy: 1.1808268611612942 Energy: 1.0467647319468822 Energy: 1.1808268611619037 Energy: 1.0467647319468822 Energy: 1.0632565591732699 Energy: 1.1556420098813966 Energy: 1.0632565591738794 Energy: 1.155642009880787 Energy: 1.0632565591738794 Energy: 1.1556420098813966 Energy: 1.0779054300226498 Energy: 1.1552825904415776 Energy: 1.0779054300226498 Energy: 1.1552825904421868 Energy: 1.0779054300232593 Energy: 1.1552825904415776 minimum gb energy = 0.9909310259161768 eV minimum distance = 2.29452377574704 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.193722479905435 Energy: 0.9783923695847772 Energy: 1.193722479904899 Energy: 0.9783923695847772 Energy: 1.193722479905435 Energy: 0.9783923695853128 Energy: 1.0888920938245525 Energy: 1.1312321810101553 Energy: 1.0888920938256241 Energy: 1.1312321810106911 Energy: 1.0888920938234812 Energy: 1.1312321810106911 Energy: 1.0350439278464174 Energy: 1.152422110442978 Energy: 1.0350439278458816 Energy: 1.152422110442978 Energy: 1.0350439278458816 Energy: 1.1524221104477996 Energy: 1.1205811878069714 Energy: 1.1849440261799122 Energy: 1.1205811878064356 Energy: 1.184944026180448 Energy: 1.1205811878064356 Energy: 1.1849440261799122 Energy: 1.122390023283513 Energy: 0.9735589655515553 Energy: 1.122390023282977 Energy: 0.9735589655515553 Energy: 1.122390023282977 Energy: 0.9735589655526268 Energy: 0.9647383837909272 Energy: 1.1414433957941261 Energy: 0.9647383837909272 Energy: 1.1414433957941261 Energy: 0.9647383837903916 Energy: 1.1414433957941261 Energy: 1.1214810415922125 Energy: 1.0146628584199284 Energy: 1.1214810415927483 Energy: 1.0146628584193929 Energy: 1.1214810415922125 Energy: 1.0146628584199284 Energy: 1.115944386677638 Energy: 1.1024895858809658 Energy: 1.1159443866771024 Energy: 1.1024895858809658 Energy: 1.115944386677638 Energy: 1.1024895858809658 Energy: 1.0467377761375969 Energy: 1.1505911892144103 Energy: 1.0467377761381325 Energy: 1.1505911892138745 Energy: 1.0467377761381325 Energy: 1.1505911892144103 Energy: 1.0980055057397387 Energy: 1.1170815567183814 Energy: 1.0980055057397387 Energy: 1.1170815567178456 Energy: 1.0980055057397387 Energy: 1.1170815567178456 Energy: 1.1111092672385976 Energy: 1.230464013418203 Energy: 1.1111092672385976 Energy: 1.2304640134187386 Energy: 1.1111092672385976 Energy: 1.2304640134192744 Energy: 1.0452621495079704 Energy: 1.1479601951267613 Energy: 1.0452621495063632 Energy: 1.1479601951262257 Energy: 1.0452621495074348 Energy: 1.1479601951262257 Energy: 0.9757044853958671 Energy: 1.050518379529597 Energy: 0.9757044853947956 Energy: 1.050518379529597 Energy: 0.9757044853953314 Energy: 1.0505183795301325 Energy: 1.1800186075818788 Energy: 1.1164020618590145 Energy: 1.1800186075818788 Energy: 1.1164020618590145 Energy: 1.1800186075818788 Energy: 1.1164020618590145 Energy: 1.0971516922887488 Energy: 1.0699865040609262 Energy: 1.0971516922882132 Energy: 1.0699865040603904 Energy: 1.0971516922882132 Energy: 1.0699865040609262 Energy: 1.0349341163139176 Energy: 1.1402923469950803 Energy: 1.0349341163144534 Energy: 1.140292346995616 Energy: 1.0349341163144534 Energy: 1.1402923469950803 Energy: 1.1144199791523797 Energy: 1.1335551859708577 Energy: 1.1144199791523797 Energy: 1.1335551859708577 Energy: 1.1144199791523797 Energy: 1.1335551859713935 Energy: 1.1122152494278554 Energy: 0.9721736570370162 Energy: 1.1122152494278554 Energy: 0.9721736570370162 Energy: 1.1122152494278554 Energy: 0.9721736570370162 Energy: 0.9513665058298013 Energy: 1.150729861580384 Energy: 0.9513665058303371 Energy: 1.1507298615809198 Energy: 0.9513665058298013 Energy: 1.1507298615809198 Energy: 1.0969890216323301 Energy: 1.0699402513635863 Energy: 1.0969890216328657 Energy: 1.0699402513635863 Energy: 1.0969890216328657 Energy: 1.0699402513630505 Energy: 1.1146124137367572 Energy: 1.165015895783105 Energy: 1.1146124137362214 Energy: 1.1650158957825691 Energy: 1.1146124137362214 Energy: 1.1650158957847119 Energy: 1.0045473056981546 Energy: 1.1312130830163993 Energy: 1.0045473056981546 Energy: 1.1312130830163993 Energy: 1.004547305699226 Energy: 1.1312130830163993 Energy: 1.0788790770107266 Energy: 1.042184635783584 Energy: 1.0788790770107266 Energy: 1.0421846357841198 Energy: 1.0788790770107266 Energy: 1.042184635783584 Energy: 1.1207989849329456 Energy: 1.0330955140817049 Energy: 1.1207989849329456 Energy: 1.0330955140817049 Energy: 1.1207989849329456 Energy: 1.0330955140817049 Energy: 1.0457070318817865 Energy: 1.0747403587504758 Energy: 1.0457070318833939 Energy: 1.0747403587504758 Energy: 1.0457070318812507 Energy: 1.0747403587499402 Energy: 0.9778011301593745 Energy: 1.1311514865322498 Energy: 0.9778011301593745 Energy: 1.1311514865322498 Energy: 0.9778011301593745 Energy: 1.1311514865333212 Energy: 1.137589664239977 Energy: 1.0237133078991436 Energy: 1.1375896642410483 Energy: 1.0237133078991436 Energy: 1.1375896642389054 Energy: 1.0237133078986078 Energy: 1.1227272843018288 Energy: 1.0231636604062138 Energy: 1.1227272843007572 Energy: 1.0231636604067496 Energy: 1.122727284301293 Energy: 1.0231636604072367 Energy: 1.2002302229857327 Energy: 1.1453418690392176 Energy: 1.2002302229857327 Energy: 1.1453418690392176 Energy: 1.2002302229857327 Energy: 1.1453418690392176 Energy: 1.1120876972815472 Energy: 1.059956107694887 Energy: 1.1120876972810116 Energy: 1.059956107694887 Energy: 1.1120876972810116 Energy: 1.059956107694887 Energy: 1.114397825568183 Energy: 0.9934853027424202 Energy: 1.114397825568183 Energy: 0.9934853027418844 Energy: 1.114397825568183 Energy: 0.9934853027424202 Energy: 1.0343547458255518 Energy: 1.1476413948134951 Energy: 1.0343547458260876 Energy: 1.1476413948134951 Energy: 1.0343547458260876 Energy: 1.1476413948134951 Energy: 1.006990071512658 Energy: 1.0421279578798206 Energy: 1.0069900715121223 Energy: 1.0421279578798206 Energy: 1.0069900715115865 Energy: 1.0421279578803564 minimum gb energy = 0.9513665058298013 eV minimum distance = 2.30275253716942 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.018677593034289296 Energy: 0.7764033830355376 Energy: 0.018677593034289296 Energy: 0.7764033830355376 Energy: 0.018677593034289296 Energy: 0.7764033830359827 Energy: 0.019161979173569987 Energy: 0.2722877093551788 Energy: 0.019161979174015114 Energy: 0.27228770935601965 Energy: 0.019161979174015114 Energy: 0.27228770935601965 Energy: 0.8504489322025974 Energy: 0.27193115868486495 Energy: 0.8504489322025974 Energy: 0.27193115868486495 Energy: 0.8504489322021522 Energy: 0.27193115868486495 Energy: 0.019161979173124864 Energy: 0.2722877093551788 Energy: 0.019161979173569987 Energy: 0.2722877093555745 Energy: 0.019161979173124864 Energy: 0.2722877093551788 minimum gb energy = 0.018677593034289296 eV minimum distance = 2.5334490631907 Angstroms sigma value = 1