Model name: model_name=EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 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=3.638568460941315 cohesive_energy=3.4069304484773077 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: 0.01593182109958887 Energy: 0.4721751374390433 Energy: 0.7690661420019215 Energy: 0.4721428257202221 Energy: 0.015931821099841623 Energy: 0.4721751374405037 Energy: 0.2565549171312713 Energy: 0.4891354113871069 Energy: 0.016249535500571656 Energy: 0.25042902104271486 Energy: 0.016178866456587643 Energy: 0.48913541138561845 Energy: 0.01624953550206009 Energy: 0.2504290210429676 Energy: 0.01593182109958887 Energy: 0.4721751374390433 Energy: 0.7690661420021742 Energy: 0.47214282571996935 Energy: 0.015931821099841623 Energy: 0.4721751374405037 Energy: 0.25655491713177686 Energy: 0.4891354113883426 Energy: 0.016249535500571656 Energy: 0.25042902104271486 Energy: 0.016178866456587643 Energy: 0.4891354113853938 Energy: 0.016249535501807338 Energy: 0.25042902104322035 Energy: 0.01593182109958887 Energy: 0.4721751374387906 Energy: 0.256554917132507 Energy: 0.4721428257202221 Energy: 0.01593182109958887 Energy: 0.47217513744075645 Energy: 0.2565549171312713 Energy: 0.48913541138637673 Energy: 0.01624953550034699 Energy: 0.2504290210429676 Energy: 0.016178866456587643 Energy: 0.4891354113846355 Energy: 0.016249535501807338 Energy: 0.25042902104322035 minimum gb energy = 0.01593182109958887 eV minimum distance = 2.55013804390416 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0666555982757358 Energy: 1.0618874644249012 Energy: 1.0478935233919242 Energy: 1.0619238538312568 Energy: 1.0666555982817743 Energy: 1.06188746440986 Energy: 1.0478935234009819 Energy: 1.0040161183206193 Energy: 1.0044552473381267 Energy: 1.061561966702059 Energy: 1.02835583229907 Energy: 1.004016118305523 Energy: 1.0044552473501491 Energy: 1.0615619667141363 Energy: 1.0004188616826581 Energy: 0.9973767913378762 Energy: 1.0590697973368879 Energy: 1.0067732467076635 Energy: 1.0004188616826581 Energy: 0.9973767913227799 Energy: 1.0590697973519294 Energy: 1.0792188018693822 Energy: 1.012822406058516 Energy: 1.0515484239184576 Energy: 1.0151757046722094 Energy: 1.0792188018542859 Energy: 1.012822406046439 Energy: 1.051548423921477 Energy: 1.0094167714524265 Energy: 0.9895579261646394 Energy: 1.0798513261425584 Energy: 1.0094211877253738 Energy: 1.0094167714614841 Energy: 0.9895579261797357 Energy: 1.07985132613652 Energy: 1.042559154451153 Energy: 1.0130057484857333 Energy: 1.0280023765309325 Energy: 0.9951392344717174 Energy: 1.0425591544662491 Energy: 1.0130057484947912 Energy: 1.0280023765309325 Energy: 0.9938581836433196 Energy: 1.0433490215191783 Energy: 1.0901545958802779 Energy: 1.0105233295612308 Energy: 0.9938581836553967 Energy: 1.0433490215221974 Energy: 1.0901545958832972 Energy: 0.9938755627848184 Energy: 0.9963211784862746 Energy: 1.0551763648979748 Energy: 1.0009704187880375 Energy: 0.9938755627727413 Energy: 0.9963211784953324 Energy: 1.0551763648949557 Energy: 0.982249492692356 Energy: 1.014472760789713 Energy: 1.1077836080581052 Energy: 1.004707581619545 Energy: 0.982249492704433 Energy: 1.0144727607927324 Energy: 1.1077836080792398 Energy: 1.006317360804676 Energy: 1.031363841602694 Energy: 1.0412865771650825 Energy: 1.011120204769945 Energy: 1.0063173608197173 Energy: 1.0313638416177902 Energy: 1.0412865771409285 Energy: 1.0051261449776698 Energy: 1.0085432617813694 Energy: 1.0584890663570055 Energy: 1.0520032202925764 Energy: 1.0051261449535158 Energy: 1.008543261787408 Energy: 1.0584890663570055 Energy: 1.0278181007374463 Energy: 1.0647657742965009 Energy: 1.064302765571177 Energy: 0.9985779699751827 Energy: 1.027818100746504 Energy: 1.0647657742934815 Energy: 1.0643027655681578 Energy: 1.0683498571818626 Energy: 1.0747562579587768 Energy: 1.0647786426990422 Energy: 1.0361943589191436 Energy: 1.0683498571939396 Energy: 1.0747562579466996 Energy: 1.0647786427050807 Energy: 0.9937852617468796 Energy: 1.057765844040641 Energy: 1.0848908793521836 Energy: 0.9969762507055726 Energy: 0.993785261749899 Energy: 1.0577658440195061 Energy: 1.0848908793642607 Energy: 1.0039624585448366 Energy: 1.0121457042508049 Energy: 1.0396833281562297 Energy: 1.0114939664562996 Energy: 1.0039624585478562 Energy: 1.0121457042628816 Energy: 1.0396833281652875 Energy: 1.051735985226041 Energy: 1.1037017201733343 Energy: 1.0486217729528649 Energy: 1.1029118120813504 Energy: 1.051735985226041 Energy: 1.1037017188756029 Energy: 1.048621772955884 Energy: 1.0103618268800412 Energy: 1.0181850075148904 Energy: 1.0286523828579608 Energy: 1.0301820816127667 Energy: 1.0103618268709835 Energy: 1.0181850074937555 Energy: 1.0286523828489031 Energy: 0.9939749936728841 Energy: 0.9920277332667691 Energy: 1.0569150963032747 Energy: 1.0328013419424455 Energy: 0.9939749936638264 Energy: 0.9920277332848846 Energy: 1.0569150963032747 Energy: 1.018721997245523 Energy: 1.0048321636586302 Energy: 1.131102680964864 Energy: 1.0146492063923827 Energy: 1.018721997254581 Energy: 1.0048321636646689 Energy: 1.131102680961845 Energy: 1.0066137115786362 Energy: 0.9905638879684798 Energy: 1.0531081054916747 Energy: 1.011021689929747 Energy: 1.0066137115906584 Energy: 0.9905638879594769 Energy: 1.0531081055188478 Energy: 0.9938838723274888 Energy: 1.0247499163015914 Energy: 1.0751097698411727 Energy: 1.0072387578583892 Energy: 0.9938838723123925 Energy: 1.0247499162774374 Energy: 1.0751097698472112 Energy: 0.9935507018587353 Energy: 1.0038983202990757 Energy: 1.0916406414649633 Energy: 1.0041408108651042 Energy: 0.9935507018406197 Energy: 1.0038983203051142 Energy: 1.0916406414740212 Energy: 1.0018155405643616 Energy: 0.995642703056828 Energy: 1.0995054991670705 Energy: 1.0351386602473658 Energy: 1.0018155405371882 Energy: 0.9956427030598473 Energy: 1.0995054991700899 Energy: 1.0381477726760107 Energy: 1.0041304427985291 Energy: 1.0596693415332963 Energy: 1.0126901831926622 Energy: 1.0381477726760107 Energy: 1.0041304428106061 Energy: 1.0596693415272578 Energy: 1.0115019787205384 Energy: 1.02987235162727 Energy: 1.0390079811514232 Energy: 1.0069138036545107 Energy: 1.011501978681288 Energy: 1.0298723516302892 Energy: 1.0390079811453847 Energy: 1.010793485258486 Energy: 1.0094007591422223 Energy: 1.0616025837141032 Energy: 1.0459134770175496 Energy: 1.0107934852735274 Energy: 1.0094007591633567 Energy: 1.0616025837141032 Energy: 1.0592698705888437 Energy: 0.9914250890248123 Energy: 1.0673086433880878 Energy: 1.008952039707671 Energy: 1.0592698705948824 Energy: 0.9914250890308509 Energy: 1.067308643391107 Energy: 1.0424322963010915 Energy: 1.0943419043605367 Energy: 1.1030725844746068 Energy: 1.0907665811699179 Energy: 1.0424322962890142 Energy: 1.0943419043816711 Energy: 1.103072584465549 Energy: 1.0451436673393812 Energy: 1.0197465109396688 Energy: 1.0776571794892926 Energy: 0.9914335803395828 Energy: 1.0451436673333427 Energy: 1.0197465109336301 Energy: 1.0776571794681578 Energy: 0.9943556321058942 Energy: 1.002487685639845 Energy: 1.1277051394718463 Energy: 1.0112781188442317 Energy: 0.9943556321209904 Energy: 1.0024876856338063 Energy: 1.1277051394899618 Energy: 1.0066359574540522 Energy: 1.0449345903979286 Energy: 1.0317937821167857 Energy: 1.0427829068251226 Energy: 1.0066359574902835 Energy: 1.0449345904009475 Energy: 1.0317937821349015 Energy: 1.0377586464018578 Energy: 1.0014531657731083 Energy: 1.0122427889084018 Energy: 0.994207110547188 Energy: 1.0377586463988384 Energy: 1.0014531657580121 Energy: 1.012242788899344 Energy: 1.0095655921621074 Energy: 1.0376254826915847 Energy: 1.095147893671331 Energy: 0.9952537236602919 Energy: 1.0095655921439919 Energy: 1.0376254826885656 Energy: 1.0951478936803887 Energy: 1.012171697976848 Energy: 0.996499394021422 Energy: 1.0837067671688656 Energy: 1.0010748342597349 Energy: 1.012171697988925 Energy: 0.9964993940244412 Energy: 1.0837067671779235 Energy: 0.9939632384364234 Energy: 0.9986085379659484 Energy: 1.0249009202651178 Energy: 1.018066214882004 Energy: 0.9939632384575582 Energy: 0.9986085379840639 Energy: 1.0249009202439832 Energy: 1.0064467332213898 Energy: 1.031236140870088 Energy: 1.0765252091528035 Energy: 1.0092187022842123 Energy: 1.0064467332304474 Energy: 1.0312361408761266 Energy: 1.0765252091618613 Energy: 0.9823454856487015 Energy: 1.0145556597166585 Energy: 1.1348475444096935 Energy: 1.0048547019973675 Energy: 0.9823454856366244 Energy: 1.0145556597196779 Energy: 1.134847544415732 Energy: 0.9887363452557646 Energy: 1.0088115802482864 Energy: 1.0719013872020522 Energy: 1.0098394762915024 Energy: 0.9887363452346297 Energy: 1.0088115802513056 Energy: 1.071901387186956 Energy: 1.0426701664635982 Energy: 1.0394807599528497 Energy: 1.060557077312019 Energy: 1.0353660174389028 Energy: 1.0426701664575597 Energy: 1.0394807599649267 Energy: 1.060557077321077 Energy: 1.0597769380407311 Energy: 1.0475744852106175 Energy: 1.0253930069451354 Energy: 1.0131057733040842 Energy: 1.0597769380256898 Energy: 1.047574485216656 Energy: 1.0253930069481547 Energy: 1.0476677039853455 Energy: 1.00751023580399 Energy: 1.092044993897453 Energy: 1.0609521153167334 Energy: 1.0476677039521887 Energy: 1.0075102357828551 Energy: 1.0920449938944337 Energy: 1.0587593726748772 Energy: 0.9980449960076588 Energy: 1.0849169433443455 Energy: 1.008193907853374 Energy: 1.0587593726718578 Energy: 0.9980449959986011 Energy: 1.0849169433594417 Energy: 1.1388272456911588 Energy: 1.0362699907430815 Energy: 1.0423306148131766 Energy: 1.0692127704389713 Energy: 1.1388272456941781 Energy: 1.036269990737043 Energy: 1.042330614807138 Energy: 1.044598349735237 Energy: 1.0068620309482659 Energy: 1.0643514712325142 Energy: 1.0311938407239265 Energy: 1.0445983497322178 Energy: 1.0068620309573237 Energy: 1.0643514712264757 Energy: 0.9823984635627934 Energy: 1.0112121650340444 Energy: 1.1054117220999082 Energy: 1.010815855149158 Energy: 0.9823984635476971 Energy: 1.01121216505216 Energy: 1.1054117221029274 Energy: 1.0062790707267564 Energy: 1.0473997171180687 Energy: 1.064289180680517 Energy: 1.0426055328450392 Energy: 1.0062790707267564 Energy: 1.0473997171391485 Energy: 1.064289180692594 Energy: 0.9823287772029135 Energy: 1.022916213947969 Energy: 1.0318776905532943 Energy: 1.0045315251771632 Energy: 0.9823287771968748 Energy: 1.022916213957027 Energy: 1.0318776905623521 minimum gb energy = 0.982249492692356 eV minimum distance = 2.1524571035296 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.0768932701557123 Energy: 1.0512008817486913 Energy: 1.0200929236895717 Energy: 1.0822714615013374 Energy: 1.07689327015808 Energy: 1.0512008817665128 Energy: 1.020092923681035 Energy: 0.9985253983390078 Energy: 1.0256047978461305 Energy: 1.0073778180203556 Energy: 1.0382820080687127 Energy: 0.9985253983413757 Energy: 1.0256047978601506 Energy: 1.007377818013875 Energy: 0.9986209323059507 Energy: 1.029758761891587 Energy: 1.0602693601493967 Energy: 1.025425476564987 Energy: 0.9986209323230867 Energy: 1.029758761895326 Energy: 1.0602693601329463 Energy: 1.0225178877721464 Energy: 1.0422294099069243 Energy: 1.0087852831461706 Energy: 1.0112752535734923 Energy: 1.0225178877762588 Energy: 1.0422294099065506 Energy: 1.008785283140687 Energy: 1.022575162908583 Energy: 1.036362529593259 Energy: 1.004174375548853 Energy: 1.0120362944797554 Energy: 1.0225751629007318 Energy: 1.036362529600425 Energy: 1.0041743755375747 Energy: 0.9985557082028724 Energy: 1.0225274694424777 Energy: 1.0357096269568404 Energy: 1.0356802425264695 Energy: 0.9985557082056141 Energy: 1.0225274694510145 Energy: 1.0357096269602677 Energy: 1.022395043213439 Energy: 1.039141856415114 Energy: 1.032010616327556 Energy: 1.0159116150785554 Energy: 1.0223950432161808 Energy: 1.0391418564219685 Energy: 1.0481870578939951 Energy: 1.022072019564262 Energy: 1.0062073192881882 Energy: 1.0050331663102972 Energy: 1.0325207028370555 Energy: 1.0220720195539807 Energy: 1.0062073192737941 Energy: 1.0050331663092378 Energy: 0.9985805524795265 Energy: 1.0119299714272794 Energy: 1.0692921753475568 Energy: 1.0269828908839387 Energy: 0.9985805524802118 Energy: 1.0119299714286503 Energy: 1.0654096826074935 Energy: 1.0224941849359703 Energy: 1.0694729187790317 Energy: 1.066738523976845 Energy: 1.027710215762304 Energy: 1.0224941849229472 Energy: 1.0694729187759784 Energy: 1.0533610694380644 Energy: 1.022401365730666 Energy: 1.0552394969748602 Energy: 1.0795631521860276 Energy: 1.0276100029303261 Energy: 1.0224013657392652 Energy: 1.0552394969621486 Energy: 1.0795631521963092 Energy: 0.9984821804000201 Energy: 1.0254249514648182 Energy: 1.0908719228965709 Energy: 1.037178286236143 Energy: 0.9984821803949103 Energy: 1.025424951459646 Energy: 1.0800010569347611 Energy: 1.0072783078991903 Energy: 1.0257369475517608 Energy: 1.1119841621008282 Energy: 1.0607770942355312 Energy: 1.0072783078920244 Energy: 1.0257369475514493 Energy: 1.085315334909252 Energy: 1.0072224746992025 Energy: 1.0512008817428966 Energy: 1.020092923682032 Energy: 1.0822714615027083 Energy: 1.0072224746796987 Energy: 1.0512008817606555 Energy: 1.020092923675863 Energy: 0.9985253983413757 Energy: 1.0256047978491836 Energy: 1.0073778180282695 Energy: 1.0752089361989148 Energy: 0.998525398342061 Energy: 1.0256047978597767 Energy: 1.0073778180203556 Energy: 0.9986209323107488 Energy: 1.0297587618950141 Energy: 1.0602693601463433 Energy: 1.0254254765560769 Energy: 0.9986209323271991 Energy: 1.029758761893955 Energy: 1.0602693601281479 Energy: 1.022517887773517 Energy: 1.039192474977376 Energy: 1.0087852831526507 Energy: 1.0112752535700653 Energy: 1.0225178877762588 Energy: 1.0391924749712071 Energy: 1.0087852831454849 Energy: 1.0225751629024142 Energy: 1.0345613159992266 Energy: 1.004174375548853 Energy: 1.0120362944834942 Energy: 1.0225751628962452 Energy: 1.0345613160166742 Energy: 1.0041743755358299 Energy: 0.9985563655288435 Energy: 1.0225274694469018 Energy: 1.0357096269568404 Energy: 1.0356802425206122 Energy: 0.9985563655414929 Energy: 1.02252746945413 Energy: 1.0357096269582113 Energy: 1.0223880886419503 Energy: 1.0391418564148027 Energy: 1.051687225694623 Energy: 1.0159116150751284 Energy: 1.022388088644318 Energy: 1.0391418564243986 Energy: 1.0481870578916275 Energy: 1.0220837930501958 Energy: 1.0062073192837018 Energy: 1.005033166311668 Energy: 1.032319484717267 Energy: 1.0220837930614741 Energy: 1.0062073192741057 Energy: 1.005033166313039 Energy: 0.9985805524863807 Energy: 1.011929971432389 Energy: 1.069125476259023 Energy: 1.0269828908777698 Energy: 0.9985805524846358 Energy: 1.011929971434819 Energy: 1.0663818920072794 Energy: 1.0224941849328548 Energy: 1.0694729187814618 Energy: 1.0599817338203055 Energy: 1.027710215763363 Energy: 1.0224941849212024 Energy: 1.0694729187721774 Energy: 1.053361069437005 Energy: 1.0224013657340933 Energy: 1.0536243468945459 Energy: 1.0795631521826003 Energy: 1.0276100029358095 Energy: 1.0224013657388913 Energy: 1.053624346897973 Energy: 1.0795631521959352 Energy: 0.9984755749936947 Energy: 1.0254249514572782 Energy: 1.0879722029560126 Energy: 1.0371782862320302 Energy: 0.9984755749984928 Energy: 1.0254249514514833 Energy: 1.0800010569392475 Energy: 0.9973647729677433 Energy: 1.025736947548022 Energy: 1.085315334918474 Energy: 1.0607770942440677 Energy: 0.9973647729697996 Energy: 1.0257369475439093 Energy: 1.0853153349116196 Energy: 1.0768932701639375 Energy: 1.0512008817483176 Energy: 1.0200929236847738 Energy: 1.082271461503394 Energy: 1.0768932701605105 Energy: 1.0512008817658272 Energy: 1.0200929236803495 Energy: 0.9985253983461737 Energy: 1.0256047978433889 Energy: 1.0073778180207293 Energy: 1.0382820080659712 Energy: 0.9985253983434319 Energy: 1.0256047978597767 Energy: 1.0073778180121304 Energy: 0.9986209323104371 Energy: 1.029758761893955 Energy: 1.0602693601436015 Energy: 1.0254254765622455 Energy: 0.9986209323313118 Energy: 1.0297587618960111 Energy: 1.0602693601281479 Energy: 1.0225178877707755 Energy: 1.0422294099018143 Energy: 1.0087852831523392 Energy: 1.0112752535711247 Energy: 1.0225178877731433 Energy: 1.0422294099072358 Energy: 1.008785283146482 Energy: 1.0225751629078976 Energy: 1.0363625295877754 Energy: 1.0041743755547106 Energy: 1.0120362944855503 Energy: 1.0225751629017288 Energy: 1.036362529598057 Energy: 1.0041743755437436 Energy: 0.998555708202187 Energy: 1.02252746944416 Energy: 1.0357096269578998 Energy: 1.0356802425226683 Energy: 0.9985557082066735 Energy: 1.022527469455127 Energy: 1.0357096269592705 Energy: 1.0223950432165545 Energy: 1.0391418564148027 Energy: 1.066528874789402 Energy: 1.0159116150751284 Energy: 1.02239504321724 Energy: 1.0391418564288228 Energy: 1.0481870578912533 Energy: 1.0220720195611466 Energy: 1.00620731928339 Energy: 1.0050331663089263 Energy: 1.032520702837367 Energy: 1.022072019554292 Energy: 1.0062073192703669 Energy: 1.0050331663075553 Energy: 0.9985805524829535 Energy: 1.011929971428962 Energy: 1.0654096826102353 Energy: 1.0269828908811969 Energy: 0.998580552482268 Energy: 1.0119299714313919 Energy: 1.0654096826088646 Energy: 1.0224941849345994 Energy: 1.0694729187773493 Energy: 1.053361069461307 Energy: 1.027710215765731 Energy: 1.0224941849229472 Energy: 1.0694729187694356 Energy: 1.0533610694387499 Energy: 1.0224013657324111 Energy: 1.055239496972804 Energy: 1.0795631521908255 Energy: 1.0276100029323825 Energy: 1.022401365741633 Energy: 1.0552394969628338 Energy: 1.0795631521986768 Energy: 0.9984821804038211 Energy: 1.0254249514682452 Energy: 1.080001056927595 Energy: 1.0371782862378875 Energy: 0.9984821803997085 Energy: 1.0254249514575897 Energy: 1.0800010569385623 Energy: 1.0072783079029912 Energy: 1.0257369475514493 Energy: 1.08531533491405 Energy: 1.0607770942437564 Energy: 1.0072783078954517 Energy: 1.0257369475449065 Energy: 1.085315334910249 Energy: 1.007222474698517 Energy: 1.0512008817517449 Energy: 1.0200929236834027 Energy: 1.082271461503394 Energy: 1.0072224746796987 Energy: 1.051200881766139 Energy: 1.020092923673121 Energy: 0.9985253983434319 Energy: 1.0256047978461305 Energy: 1.0073778180173023 Energy: 1.0752089362034014 Energy: 0.9985253983458621 Energy: 1.025604797858406 Energy: 1.0073778180173023 minimum gb energy = 0.9973647729677433 eV minimum distance = 2.3045518454914 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0992562649608495 Energy: 1.0436542803270406 Energy: 1.06976175464026 Energy: 1.0436591131511583 Energy: 1.099256264963224 Energy: 1.0436542803302065 Energy: 1.113955055699533 Energy: 1.0755598647715816 Energy: 1.0459303076768007 Energy: 1.1218217375512383 Energy: 1.0570911343114493 Energy: 1.075559864767624 Energy: 1.045930307677988 Energy: 1.1218217375484683 Energy: 1.0777379881661693 Energy: 1.0638452733067698 Energy: 1.1194620882572133 Energy: 1.0639873463866554 Energy: 1.0777379881633993 Energy: 1.0638452733047912 Energy: 1.1310310364670098 Energy: 1.0707674472451076 Energy: 1.0332318881192515 Energy: 1.13127682909249 Energy: 1.0199997850785323 Energy: 1.0707674472435245 Energy: 1.0332318881137112 Energy: 1.1312768290838198 Energy: 1.0938172463673215 Energy: 1.0533113630413362 Energy: 1.112633345315423 Energy: 1.0573987002433711 Energy: 1.093817246370092 Energy: 1.0533113630452937 Energy: 1.1126333453114654 Energy: 1.0583515431298252 Energy: 1.0322599765357605 Energy: 1.0367224068742404 Energy: 1.0415099428366827 Energy: 1.0583515431223063 Energy: 1.0322599765321987 Energy: 1.0367224068734493 Energy: 1.0721180816605371 Energy: 1.0466397065388267 Energy: 1.0685934427480146 Energy: 1.0567388279154752 Energy: 1.072118081657767 Energy: 1.0466397065380353 Energy: 1.0501316048562002 Energy: 1.0585562978238294 Energy: 1.0457021396213115 Energy: 1.0761338450896205 Energy: 1.0514235245822041 Energy: 1.0585562978218508 Energy: 1.045702139619333 Energy: 1.076133845088829 Energy: 1.084052064283061 Energy: 1.0433184268544964 Energy: 1.137200271903237 Energy: 1.054722368165736 Energy: 1.084052064284644 Energy: 1.0433184268552875 Energy: 1.1114380344481243 Energy: 1.0526239205975998 Energy: 1.0550573313995322 Energy: 1.0786785110855917 Energy: 1.0932003382157423 Energy: 1.0526239206019528 Energy: 1.055057331404281 Energy: 1.0786785110935064 Energy: 1.0927540933212174 Energy: 1.0874557167510648 Energy: 1.052518741390825 Energy: 1.0207545405083398 Energy: 1.09275409332003 Energy: 1.08745571674315 Energy: 1.0525187413896377 Energy: 1.0902247872989268 Energy: 1.0575778120558224 Energy: 1.0857092490076548 Energy: 1.0817483830455188 Energy: 1.0902247873009057 Energy: 1.0575778120507133 Energy: 1.0857092490084463 Energy: 1.0826214930777889 Energy: 1.021113874387034 Energy: 1.113935480101435 Energy: 1.055443643579619 Energy: 1.0826214930809186 Energy: 1.0211138743795152 Energy: 1.1139354801057881 Energy: 1.0505910574371082 Energy: 1.0656807042730658 Energy: 1.1649066904120031 Energy: 1.070768934511653 Energy: 1.0505910574355253 Energy: 1.0656807042746488 Energy: 1.164906690412399 Energy: 1.0959490401501126 Energy: 1.03330402072493 Energy: 1.109531655328176 Energy: 1.0212340376582274 Energy: 1.0959490401469465 Energy: 1.03330402072493 Energy: 1.109531655326989 Energy: 1.0653108170981964 Energy: 1.0818176219037188 Energy: 1.105873695489348 Energy: 1.0616831171071257 Energy: 1.0653108170902816 Energy: 1.081817621904906 Energy: 1.1058736954897437 Energy: 1.092824501953753 Energy: 1.0338786304082659 Energy: 1.0597257641091389 Energy: 1.0725122298591285 Energy: 1.0928245019505873 Energy: 1.0338786304090573 Energy: 1.0597257641067643 Energy: 1.0594567734654865 Energy: 1.093987682371939 Energy: 1.0880737446962194 Energy: 1.0523105574229616 Energy: 1.0594567734698397 Energy: 1.093987682371939 Energy: 1.088073744700177 Energy: 1.0717788235529568 Energy: 1.0460269924773151 Energy: 1.1223347876456202 Energy: 1.0513615397763376 Energy: 1.0717788235549355 Energy: 1.0460269924717747 Energy: 1.1223347876456202 Energy: 1.0584649616665038 Energy: 1.0430509428669594 Energy: 1.0696159979524147 Energy: 1.0546670903271036 Energy: 1.0584649616732313 Energy: 1.0430509428712766 Energy: 1.0696159979599338 Energy: 1.0719997205923661 Energy: 1.0580697208637484 Energy: 1.0671703348065371 Energy: 1.0453163928830236 Energy: 1.0719997205903873 Energy: 1.0580697208669145 Energy: 1.0692980241302112 Energy: 1.0584003315959845 Energy: 1.062243438602733 Energy: 1.0366632940604303 Energy: 1.019858461332599 Energy: 1.0584003315868824 Energy: 1.062243438602733 Energy: 1.0366632940556817 Energy: 1.093937597630741 Energy: 1.0486986135599126 Energy: 1.0633919191972405 Energy: 1.053271070377161 Energy: 1.0939375976255965 Energy: 1.04869861356387 Energy: 1.0633919191960535 Energy: 1.0583626186465986 Energy: 1.01994739952697 Energy: 1.1407067353119973 Energy: 1.0596173081400468 Energy: 1.0583626186450157 Energy: 1.0199473995241999 Energy: 1.1407067353072484 Energy: 1.0703856175719548 Energy: 1.0598558952442676 Energy: 1.0992200057155996 Energy: 1.0546662293001556 Energy: 1.0703856175723505 Energy: 1.0598558952458503 Energy: 1.09003710274489 Energy: 1.084422772623941 Energy: 1.0578747654147267 Energy: 1.0987896795959309 Energy: 1.0456940877809413 Energy: 1.0844227726275026 Energy: 1.0578747654147267 Energy: 1.0987896795951395 Energy: 1.1104725288521582 Energy: 1.0437458963042356 Energy: 1.085335275053841 Energy: 1.0439283364532481 Energy: 1.110472528850971 Energy: 1.0437458963042356 Energy: 1.118322328143046 Energy: 1.0834168363861159 Energy: 1.056600103777349 Energy: 1.1073249172994546 Energy: 1.0670227165352886 Energy: 1.0834168363758268 Energy: 1.0566001037820978 Energy: 1.1073249173030162 Energy: 1.059638208963727 Energy: 1.0691116221527173 Energy: 1.1135510430954998 Energy: 1.0598479673018113 Energy: 1.0596382089629357 Energy: 1.0691116221463854 Energy: 1.1176021808176808 Energy: 1.058445368742309 Energy: 1.0436104948562432 Energy: 1.1060773925385083 Energy: 1.015299148264817 Energy: 1.0584453687383517 Energy: 1.043610494855056 Energy: 1.106077392537321 Energy: 1.0938993082544393 Energy: 1.0533495406078999 Energy: 1.0712358587594422 Energy: 1.0491861829018818 Energy: 1.0938993082568136 Energy: 1.0533495406130446 Energy: 1.0712358587582549 Energy: 1.058234661885348 Energy: 1.0199552868102175 Energy: 1.044299867309633 Energy: 1.0413569303077796 Energy: 1.0582346618829737 Energy: 1.0199552868137791 Energy: 1.0442998673112158 Energy: 1.0720132971170435 Energy: 1.0610940402661755 Energy: 1.0872671494393018 Energy: 1.0579869254894798 Energy: 1.0720132971198135 Energy: 1.061094040265384 Energy: 1.057676899179902 Energy: 1.0586570016351107 Energy: 1.0459836252956827 Energy: 1.110894746677792 Energy: 1.0672414624526978 Energy: 1.0586570016366939 Energy: 1.0459836252968702 Energy: 1.1108947466706691 Energy: 1.0718163685883386 Energy: 1.0433439178678297 Energy: 1.1212285496887955 Energy: 1.0515887398603503 Energy: 1.0718163685934832 Energy: 1.043343917863081 Energy: 1.1110432732253825 Energy: 1.0593646911294812 Energy: 1.0550987796995248 Energy: 1.1058283843517636 Energy: 1.0753899676393255 Energy: 1.0593646911334382 Energy: 1.0550987797003164 Energy: 1.1058283843573038 minimum gb energy = 1.015299148264817 eV minimum distance = 2.26697053392509 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.0507957263506726 Energy: 1.0683997627964332 Energy: 1.0568601644668656 Energy: 1.068352500356483 Energy: 1.0507957263520737 Energy: 1.0683997627782182 Energy: 1.0845728497169302 Energy: 1.0395122237221308 Energy: 1.0355967556569883 Energy: 0.9524825309228353 Energy: 1.0353351106311852 Energy: 1.0395122237277354 Energy: 1.035596755666329 Energy: 0.9524825309237694 Energy: 1.0507647423399458 Energy: 0.9766481910722041 Energy: 1.0708674878337878 Energy: 1.0444888490902822 Energy: 1.0507647423338742 Energy: 0.9766481910866825 Energy: 1.07086748782398 Energy: 1.0432877870490247 Energy: 1.0897975160803637 Energy: 0.9523179083239877 Energy: 1.0374727309056446 Energy: 1.0432877870471566 Energy: 1.0897975160691544 Energy: 0.9523179083281486 Energy: 1.0940614874359011 Energy: 1.044930917476293 Energy: 1.0424303185591415 Energy: 1.044521005127887 Energy: 1.094061487425159 Energy: 1.04493091747676 Energy: 1.0424303185610095 Energy: 1.0432103758986668 Energy: 1.0247697197717223 Energy: 1.1407938575677499 Energy: 1.0223171486878895 Energy: 1.0432103759140368 Energy: 1.0247697197852241 Energy: 1.1407938575719532 Energy: 1.1151927967486193 Energy: 1.0418514514908381 Energy: 1.0244766358809756 Energy: 1.0448606326629843 Energy: 1.1151927967546909 Energy: 1.0418514514866346 Energy: 1.0231435872057313 Energy: 1.0467101168138546 Energy: 0.9648231342800145 Energy: 1.1845792310092536 Energy: 0.9674863386307329 Energy: 1.046710116807783 Energy: 0.9648231342702066 Energy: 1.1845792310064513 Energy: 1.1151514540715035 Energy: 1.0448327064623708 Energy: 1.0289895655379837 Energy: 1.040774643159337 Energy: 1.1151514540822456 Energy: 1.0448327064647063 Energy: 1.028989565531955 Energy: 1.0432308258484946 Energy: 1.0223554224254718 Energy: 1.1407283011293148 Energy: 1.0247453360237186 Energy: 1.0432308258494285 Energy: 1.0223554224348126 Energy: 1.1407283011321172 Energy: 1.0940662460917012 Energy: 1.0445823237123384 Energy: 0.9677933108337309 Energy: 1.0449219486233665 Energy: 1.0940662460884318 Energy: 1.0445823237104703 Energy: 0.9828992166797862 Energy: 1.0433172447076036 Energy: 1.0374950972016443 Energy: 0.9522780266422739 Energy: 1.089919139404646 Energy: 1.04331724471134 Energy: 1.0374950972025785 Energy: 0.9522780266380705 Energy: 1.0508899299055758 Energy: 1.0445908251439375 Energy: 1.0604331633599122 Energy: 0.9766467710987371 Energy: 1.0508899298873613 Energy: 1.0445908251434708 Energy: 1.0328958668387866 Energy: 1.0395642091982518 Energy: 1.0352247324039634 Energy: 0.952493697979193 Energy: 1.035543216445465 Energy: 1.039564209191246 Energy: 1.0352247324067656 Energy: 0.9524936979642901 Energy: 1.0507957263478704 Energy: 1.0683997627964332 Energy: 1.084572849708566 Energy: 1.0683525003578416 Energy: 1.0507957263502057 Energy: 1.0683997627814876 Energy: 1.0845728497178644 Energy: 1.0395122237221308 Energy: 1.03559675565512 Energy: 0.9524825309228353 Energy: 1.0353351106339874 Energy: 1.0395122237272685 Energy: 1.0355967556667962 Energy: 0.9524825309209671 Energy: 1.05076474234088 Energy: 0.9766481910754734 Energy: 1.0708674878319198 Energy: 1.0444888490870126 Energy: 1.050764742332473 Energy: 0.9766481910876166 Energy: 1.07086748782398 Energy: 1.0432877870499588 Energy: 1.0897975160835907 Energy: 0.9523179083221196 Energy: 1.0374727309070033 Energy: 1.0432877870466897 Energy: 1.0897975160700886 Energy: 0.9523179083267901 Energy: 1.0940614874359011 Energy: 1.044930917478628 Energy: 1.0424303185586743 Energy: 1.044521005127887 Energy: 1.0940614874260932 Energy: 1.044930917476293 Energy: 1.0424303185610095 Energy: 1.0432103758967985 Energy: 1.0247697197707881 Energy: 1.140793857568684 Energy: 1.0223171486888236 Energy: 1.0432103759117013 Energy: 1.024769719786625 Energy: 1.140793857568217 Energy: 1.115192796745817 Energy: 1.041851451489904 Energy: 1.023143587202929 Energy: 1.044860632660649 Energy: 1.1151927967518886 Energy: 1.0418514514852335 Energy: 1.0231435872090007 Energy: 1.0467101168110524 Energy: 0.9648231342786134 Energy: 1.1845792310120558 Energy: 0.9674863386311998 Energy: 1.0467101168087172 Energy: 0.9648231342720748 Energy: 1.1845792310069183 Energy: 1.1151514540724377 Energy: 1.04483270646097 Energy: 1.0289895655370498 Energy: 1.0407746431626062 Energy: 1.1151514540855147 Energy: 1.0448327064642393 Energy: 1.0289895655333559 Energy: 1.043230825851297 Energy: 1.0223554224208016 Energy: 1.140728301127022 Energy: 1.0247453360260539 Energy: 1.043230825853165 Energy: 1.0223554224366809 Energy: 1.1407283011297817 Energy: 1.0940662460945036 Energy: 1.0445823237114045 Energy: 0.953340055023686 Energy: 1.0449219486224324 Energy: 1.0940662460907673 Energy: 1.044582323708602 Energy: 0.9533400550325598 Energy: 1.0433172447029333 Energy: 1.0374950972030457 Energy: 0.9522780266450337 Energy: 1.0899191394060472 Energy: 1.0433172447076036 Energy: 1.037495097206315 Energy: 0.9522780266376034 Energy: 1.0508899299055758 Energy: 1.0445908251430036 Energy: 1.0328958668336492 Energy: 0.9766467710954678 Energy: 1.0508899298873613 Energy: 1.0445908251397342 Energy: 1.0328958668359844 Energy: 1.0395642091977848 Energy: 1.0352247324062986 Energy: 0.9524936979773247 Energy: 1.035543216444064 Energy: 1.0395642091917132 Energy: 1.0352247324123702 Energy: 0.952493697963823 Energy: 1.0507957263502057 Energy: 1.0683997627969 Energy: 1.084572849707632 Energy: 1.06835250035695 Energy: 1.0507957263516068 Energy: 1.0683997627777513 Energy: 1.0845728497173974 Energy: 1.0395122237225978 Energy: 1.0355967556574555 Energy: 0.9524825309223682 Energy: 1.0353351106288498 Energy: 1.0395122237277354 Energy: 1.0355967556672632 Energy: 0.9524825309237694 minimum gb energy = 0.9522780266376034 eV minimum distance = 2.30461351613675 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0682458688708243 Energy: 1.107823229882227 Energy: 1.0532298167738052 Energy: 1.1077175590526553 Energy: 1.0682458688730923 Energy: 1.107823229880552 Energy: 1.0532298167783412 Energy: 1.1191202826421538 Energy: 1.0301848895408985 Energy: 0.9522352222855923 Energy: 1.0302777936232304 Energy: 1.1191202826432878 Energy: 1.0301848895380894 Energy: 0.9522352222912621 Energy: 1.070487187190157 Energy: 1.020866938566808 Energy: 1.0293477647861446 Energy: 1.037899009463372 Energy: 1.0704871871884558 Energy: 1.0208669385583033 Energy: 1.029347764782176 Energy: 1.1051719615982767 Energy: 1.0292310055555847 Energy: 1.0668923839886681 Energy: 1.0299397945557998 Energy: 1.1051719615999775 Energy: 1.0292310055544507 Energy: 1.0668923839898021 Energy: 1.029204144101247 Energy: 0.99314276604075 Energy: 1.0325879173848997 Energy: 1.0563994825267633 Energy: 1.0292041440995463 Energy: 0.993142766039616 Energy: 1.0325879173854668 Energy: 1.1052301197423147 Energy: 1.0544692272202156 Energy: 1.0742614626229479 Energy: 1.0287549679152665 Energy: 1.1052301197400467 Energy: 1.0544692272270193 Energy: 1.0742614626212468 Energy: 1.068478565704991 Energy: 0.9932474290999694 Energy: 1.0326570178059506 Energy: 1.0497181376520484 Energy: 1.068478565702156 Energy: 0.9932474290994024 Energy: 1.0326570178059506 Energy: 1.0963621651203839 Energy: 1.0468301847200696 Energy: 1.0763397170801363 Energy: 1.02875487031945 Energy: 1.096362165117549 Energy: 1.0468301847217707 Energy: 1.0763397170784352 Energy: 1.0685788270038048 Energy: 1.029830200812192 Energy: 1.0520760040359076 Energy: 0.9969715216854377 Energy: 1.0685788270049388 Energy: 1.0298302008116251 Energy: 1.0520760040336399 Energy: 1.0765785211087338 Energy: 1.0550660957886877 Energy: 1.016801797700125 Energy: 1.028673656348632 Energy: 1.0765785211104348 Energy: 1.0550660957847189 Energy: 1.016801797701259 Energy: 1.0839844658411524 Energy: 1.040268968575977 Energy: 1.051993958655984 Energy: 1.0339566427601041 Energy: 1.0839844658388844 Energy: 1.040268968574276 Energy: 1.0519939586554172 Energy: 0.9874525309491227 Energy: 0.9930616344881742 Energy: 1.0356608015116477 Energy: 0.9932414879870642 Energy: 0.9874525309547922 Energy: 0.9930616344859063 Energy: 1.0356608015082716 Energy: 1.083941960296036 Energy: 1.0327669177353511 Energy: 1.0435433680642776 Energy: 1.0338284060575686 Energy: 1.083941960294902 Energy: 1.0327669177347842 Energy: 1.0435433680591748 Energy: 0.9872426402317429 Energy: 0.9931533380323465 Energy: 1.0989896955400584 Energy: 0.9958286062916324 Energy: 0.9872426402306089 Energy: 0.9931533380289447 Energy: 1.0989896955389244 Energy: 1.1013730317226886 Energy: 0.9977885693788917 Energy: 1.0167491305164442 Energy: 1.0339703181934525 Energy: 1.1013730317249308 Energy: 0.9977885693805927 Energy: 1.0167491305181453 Energy: 0.9874311560551402 Energy: 1.0991464786520253 Energy: 1.0980442456631716 Energy: 1.0570932022879813 Energy: 0.9874311560540062 Energy: 1.0991464786491905 Energy: 1.0980442456620376 Energy: 1.0998548812346252 Energy: 0.9977508719651718 Energy: 1.082720575534604 Energy: 1.0340955051636571 Energy: 1.0998548812323574 Energy: 0.997750871960069 Energy: 1.082720575534604 Energy: 0.9873685905203163 Energy: 1.0423992012084191 Energy: 1.0558584062743486 Energy: 1.0321127780013668 Energy: 0.9873685905169146 Energy: 1.042399201214089 Energy: 1.0558584062800183 Energy: 1.0680649205812904 Energy: 0.9977877699310346 Energy: 1.0912278060559355 Energy: 1.0369119203793504 Energy: 1.0680649205784554 Energy: 0.9977877699299006 Energy: 1.0912278060616054 Energy: 0.9875603033405589 Energy: 1.0645044176046448 Energy: 1.050973584986974 Energy: 1.0644287338678091 Energy: 0.9875603033365902 Energy: 1.0645044176074796 Energy: 1.0509735849915096 Energy: 1.0680676699749458 Energy: 1.0368457738139722 Energy: 1.0914000040746785 Energy: 0.9977615718167867 Energy: 1.0680676699766465 Energy: 1.036845773815106 Energy: 1.0914000040775134 Energy: 0.9873752965217127 Energy: 1.0321197506774735 Energy: 1.0558337289488444 Energy: 1.0424247931197743 Energy: 0.9873752965234137 Energy: 1.0321197506808755 Energy: 1.0558337289488444 Energy: 1.099752966153387 Energy: 1.034045366330556 Energy: 1.0697885991457878 Energy: 0.997751883698572 Energy: 1.0997529661567889 Energy: 1.0340453663282883 Energy: 1.069788599140685 Energy: 0.9874330651127359 Energy: 1.0570681061656273 Energy: 1.0978049149092006 Energy: 1.0990570375090838 Energy: 0.9874330651076331 Energy: 1.0570681061673284 Energy: 1.0978049149069327 Energy: 1.101442094886495 Energy: 1.0340217314291449 Energy: 1.0581825165229635 Energy: 0.9977907048361998 Energy: 1.10144209488366 Energy: 1.034021731428578 Energy: 1.0581825165240974 minimum gb energy = 0.9522352222855923 eV minimum distance = 2.29176098595074 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0029446775168398 Energy: 1.065566776677861 Energy: 0.964884322607194 Energy: 1.065522445530969 Energy: 1.0029446775345596 Energy: 1.0655667766740635 Energy: 0.993060443193152 Energy: 1.0618157628211764 Energy: 1.0380277471910657 Energy: 0.9358676501879069 Energy: 1.038006882824556 Energy: 1.0618157628382632 Energy: 1.0380277471796746 Energy: 0.9358676501992982 Energy: 1.0028288924827207 Energy: 1.0416441208308431 Energy: 1.0670815084822975 Energy: 1.017417077653673 Energy: 1.0028288924612037 Energy: 1.0416441208033427 Energy: 1.067081508481377 Energy: 0.9668739502409414 Energy: 1.0381034427201357 Energy: 0.9804797452458939 Energy: 1.037960278119396 Energy: 0.9668739502358786 Energy: 1.0381034427036815 Energy: 0.9804797451851974 Energy: 1.0410900700692556 Energy: 0.9641773707970734 Energy: 1.0177270221901864 Energy: 0.9710623192585791 Energy: 1.041090070065746 Energy: 0.9641773707825178 Energy: 1.0177270221930055 Energy: 0.9670232670467281 Energy: 0.9870378592016281 Energy: 1.0617901476005205 Energy: 0.9945015229957088 Energy: 0.9670232670337835 Energy: 0.9870378591997295 Energy: 1.0617901476090352 Energy: 0.9803143482596834 Energy: 0.9646224401887888 Energy: 1.0385975525754403 Energy: 0.9768585701749142 Energy: 0.98031434827165 Energy: 0.9646224401928737 Energy: 1.038597552589996 Energy: 0.9676993168959294 Energy: 0.9968977729961492 Energy: 1.0483390940345463 Energy: 0.9874044804641982 Energy: 0.9676993168912118 Energy: 0.996897772980673 Energy: 1.048339094030749 Energy: 0.9803568442224926 Energy: 0.9979526471080572 Energy: 1.076840860793421 Energy: 0.972152206498503 Energy: 0.9803568442310647 Energy: 0.9979526471482145 Energy: 1.0768408607861144 Energy: 0.9680066941440721 Energy: 0.9970617555848583 Energy: 1.025467066055778 Energy: 0.995231152327458 Energy: 0.9680066941241661 Energy: 0.9970617555693247 Energy: 1.0254670660579643 Energy: 1.0147819664507256 Energy: 1.0114837758809538 Energy: 1.0467864596676795 Energy: 0.9722974138069458 Energy: 1.0147819664383564 Energy: 1.0114837758929205 Energy: 1.0467864596733751 Energy: 0.968214942416084 Energy: 0.9882906625238774 Energy: 1.0813014003728367 Energy: 0.9872561211323012 Energy: 0.968214942431215 Energy: 0.9882906625027057 Energy: 1.081301400362711 Energy: 0.9807384205922827 Energy: 0.996472742962581 Energy: 1.070715438015988 Energy: 0.9882751666438828 Energy: 0.980738420620761 Energy: 0.9964727429584386 Energy: 1.070715438030889 Energy: 1.0607346485936278 Energy: 1.0571051838437984 Energy: 1.014874654632138 Energy: 1.0395802933645821 Energy: 1.060734648597425 Energy: 1.0571051838697454 Energy: 1.0148746546251768 Energy: 0.9809892092004219 Energy: 1.0393751677182406 Energy: 1.0703311145783463 Energy: 1.030425909882708 Energy: 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1.0088595111529919 Energy: 1.001904557231794 Energy: 0.975451865835863 Energy: 1.0357708487129411 Energy: 0.9980526289401329 Energy: 1.0019045572466372 Energy: 0.9754518658362081 Energy: 1.0357708486971198 Energy: 0.9695990073510777 Energy: 0.9778702243351959 Energy: 1.0419521382483838 Energy: 0.9860796159895701 Energy: 0.9695990073482587 Energy: 0.9778702243421572 Energy: 1.0419521382616739 Energy: 1.002047613179521 Energy: 0.9755837794757634 Energy: 1.0144055315877567 Energy: 1.041365521177401 Energy: 1.0020476131912577 Energy: 0.9755837794770291 Energy: 1.0144055316105394 Energy: 0.9757094869400323 Energy: 0.9883472627285707 Energy: 1.019009350635824 Energy: 0.9867447009607018 Energy: 0.9757094869315175 Energy: 0.9883472627497424 Energy: 1.0190093506348459 Energy: 1.0019662529249764 Energy: 1.0343954825770296 Energy: 1.0418449526833455 Energy: 1.08886073294377 Energy: 1.0019662529424087 Energy: 1.0343954825697232 Energy: 1.0418449526886961 Energy: 0.9962162469979495 Energy: 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1.009034134676138 Energy: 1.0106187346013726 Energy: 1.109723234760813 Energy: 1.031529235342344 Energy: 1.009034134674527 Energy: 1.010618734597288 Energy: 1.1097232347592598 Energy: 1.0308155599957363 Energy: 1.0340103078313427 Energy: 1.020631259132419 Energy: 1.0329832715486678 Energy: 1.0308155599774411 Energy: 1.034010307820297 Energy: 1.020631259135583 Energy: 1.0076062875217924 Energy: 0.9993362947142607 Energy: 1.1750438872196254 Energy: 0.9910458532265266 Energy: 1.0076062875439424 Energy: 0.9993362947348572 Energy: 1.1750438872189926 Energy: 0.9685851199538636 Energy: 1.0217267663802276 Energy: 1.127411404109152 Energy: 1.050394658939343 Energy: 0.9685851199488008 Energy: 1.0217267664007665 Energy: 1.1274114041100727 minimum gb energy = 0.9358676501879069 eV minimum distance = 2.15166881270903 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.9666501506180296 Energy: 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0.894216981013221 Energy: 1.1282894214162935 Energy: 0.96665015062231 Energy: 0.894216981013221 Energy: 0.9505493031544427 Energy: 0.8942169810125401 Energy: 0.9666501506230235 Energy: 0.8942169810125401 Energy: 0.9505493031551562 Energy: 0.9666501506215968 Energy: 0.8942169810096865 Energy: 0.9505493031515891 Energy: 0.894216981013221 Energy: 0.9666501506208833 Energy: 0.8942169810118266 Energy: 1.0011100862509756 Energy: 0.9666501506201698 Energy: 0.8942169810118266 Energy: 0.9505493031523026 Energy: 0.894216981013221 Energy: 0.9666501506215968 Energy: 0.894216981013221 Energy: 1.259408165388522 Energy: 0.96665015062231 Energy: 0.8942169810182149 Energy: 0.9505493031544427 Energy: 0.894216981013221 Energy: 0.9666501506230235 Energy: 0.8942169810118266 Energy: 0.9505493031551562 Energy: 0.9666501506180296 Energy: 0.8942169810061192 Energy: 0.9505493031544427 Energy: 0.8942169810118266 Energy: 0.966650150618743 Energy: 0.8942169810139345 Energy: 1.0228495039149508 Energy: 0.9666501506208833 Energy: 0.8942169810082595 Energy: 0.9505493031523026 Energy: 0.8942169810111131 Energy: 0.9666501506215968 Energy: 0.8942169810139345 Energy: 1.1282894214184338 Energy: 0.9666501506201698 Energy: 0.8942169810175016 Energy: 0.950549303156583 Energy: 0.8942169810103998 Energy: 0.9666501506208833 Energy: 0.8942169810125401 Energy: 0.9505493031572965 Energy: 0.9666501506208833 Energy: 0.8942169810103998 Energy: 0.9505493031523026 Energy: 0.894216981013221 Energy: 0.9666501506194565 Energy: 0.8942169810125401 Energy: 1.0228495039170913 Energy: 0.9666501506215968 Energy: 0.8942169810096865 Energy: 0.9505493031530159 Energy: 0.8942169810075461 Energy: 0.9666501506208833 Energy: 0.8942169810125401 Energy: 1.07276107202171 minimum gb energy = 0.8692908194493539 eV minimum distance = 2.27460959216477 Angstroms sigma value = 23