Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.620000052452088 cohesive_energy=3.5402783780697282 mass=63.546 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: 0.013655931090739782 Energy: 0.4859680007208847 Energy: 0.013655931090739782 Energy: 0.4859680007208847 Energy: 0.013655931090739782 Energy: 0.4859680007196685 Energy: 0.48596800071935575 Energy: 0.31558732130058886 Energy: 0.48596800072029406 Energy: 0.31558732130058886 Energy: 0.4859680007208847 Energy: 0.31558732130058886 Energy: 0.013655931090739782 Energy: 0.4859680007196685 Energy: 0.013655931090461789 Energy: 0.4859680007208847 Energy: 0.013655931090739782 Energy: 0.4859680007196685 Energy: 0.4859680007208847 Energy: 0.31558732130086686 Energy: 0.4859680007196685 Energy: 0.3155873213011796 Energy: 0.4859680007208847 Energy: 0.3155873213011796 Energy: 0.013655931090739782 Energy: 0.48596800072029406 Energy: 0.013655931090739782 Energy: 0.4859680007208847 Energy: 0.013655931090739782 Energy: 0.4859680007196685 Energy: 0.4859680007208847 Energy: 0.31558732130086686 Energy: 0.48596800071998125 Energy: 0.31558732130058886 Energy: 0.4859680007196685 Energy: 0.31558732130058886 minimum gb energy = 0.013655931090461789 eV minimum distance = 2.52541469147906 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.7975815449803798 Energy: 0.7746048186738793 Energy: 0.797581544978874 Energy: 0.7746048186723737 Energy: 0.797581544979627 Energy: 0.7746048186731265 Energy: 0.8612010774371655 Energy: 0.7207713136580853 Energy: 0.8612010774364126 Energy: 0.7207713136580853 Energy: 0.8612010774379183 Energy: 0.7207713136580853 Energy: 0.7934843527315248 Energy: 0.8011256112183419 Energy: 0.7934843527307721 Energy: 0.8011256112183419 Energy: 0.7934843527315248 Energy: 0.8011256112183419 Energy: 0.8766815173334119 Energy: 0.7415079336563998 Energy: 0.8766815173334119 Energy: 0.7415079336563998 Energy: 0.8766815173341648 Energy: 0.7415079336571525 Energy: 0.7892866418858315 Energy: 0.8361088288774311 Energy: 0.7892866418858315 Energy: 0.8361088288774311 Energy: 0.7892866418873373 Energy: 0.8361088288774311 Energy: 0.8087158441002288 Energy: 0.7290367475709806 Energy: 0.8087158441009817 Energy: 0.7290367475709806 Energy: 0.8087158440994761 Energy: 0.7290367475709806 Energy: 0.7640013823471496 Energy: 0.7906936152444036 Energy: 0.7640013823479024 Energy: 0.7906936152444036 Energy: 0.7640013823471496 Energy: 0.7906936152451565 Energy: 0.7759410467208266 Energy: 0.8399420175565352 Energy: 0.7759410467215795 Energy: 0.8399420175565352 Energy: 0.7759410467208266 Energy: 0.8399420175565352 Energy: 0.8188687832510539 Energy: 0.7966648327316754 Energy: 0.8188687832495485 Energy: 0.7966648327316754 Energy: 0.8188687832510539 Energy: 0.7966648327309227 Energy: 0.7036026443260875 Energy: 0.8513008635049546 Energy: 0.7036026443260875 Energy: 0.8513008635049546 Energy: 0.7036026443260875 Energy: 0.8513008635049546 Energy: 0.829996637165945 Energy: 0.7282241667401365 Energy: 0.829996637166698 Energy: 0.7282241667401365 Energy: 0.8299966371651922 Energy: 0.7282241667401365 Energy: 0.6984605397529774 Energy: 0.8461454924223091 Energy: 0.6984605397514717 Energy: 0.8461454924223091 Energy: 0.6984605397529774 Energy: 0.8461454924223091 Energy: 0.8618182824761547 Energy: 0.6911917964718515 Energy: 0.8618182824746489 Energy: 0.6911917964718515 Energy: 0.8618182824761547 Energy: 0.6911917964718515 Energy: 0.7351144382361133 Energy: 0.7928255922038489 Energy: 0.7351144382361133 Energy: 0.7928255922038489 Energy: 0.7351144382368662 Energy: 0.7928255922038489 Energy: 0.8676188425153274 Energy: 0.7083155618525458 Energy: 0.8676188425145746 Energy: 0.7083155618518272 Energy: 0.8676188425145746 Energy: 0.7083155618518272 Energy: 0.8792313292995196 Energy: 0.8053233966561569 Energy: 0.8792313293002724 Energy: 0.8053233966561569 Energy: 0.8792313292995196 Energy: 0.8053233966561569 Energy: 0.7961577061558441 Energy: 0.7775542859119281 Energy: 0.7961577061558441 Energy: 0.7775542859126809 Energy: 0.7961577061573498 Energy: 0.7775542859119281 Energy: 0.8388058294209978 Energy: 0.7720827696189065 Energy: 0.8388058294225034 Energy: 0.7720827696189065 Energy: 0.8388058294209978 Energy: 0.7720827696189065 Energy: 0.765336477952734 Energy: 0.741968829176461 Energy: 0.765336477952734 Energy: 0.7419688291772139 Energy: 0.7653364779519812 Energy: 0.7419688291772139 Energy: 0.8089993348174183 Energy: 0.7292184660907326 Energy: 0.8089993348174183 Energy: 0.7292184660907326 Energy: 0.808999334818171 Energy: 0.7292184660899798 Energy: 0.7176781976936452 Energy: 0.8524922031909634 Energy: 0.7176781976943979 Energy: 0.8524922031887051 Energy: 0.7176781976936452 Energy: 0.8524922031834353 Energy: 0.8469320792427903 Energy: 0.791485764115504 Energy: 0.8469320792420376 Energy: 0.791485764115504 Energy: 0.8469320792420376 Energy: 0.791485764115504 Energy: 0.706216282611441 Energy: 0.8605220244646656 Energy: 0.706216282611441 Energy: 0.8605220244654186 Energy: 0.706216282611441 Energy: 0.8605220244646656 minimum gb energy = 0.6911917964718515 eV minimum distance = 2.3689611173805 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.877411361310064 Energy: 0.8585434989019645 Energy: 0.8043234498343743 Energy: 0.8585434988959697 Energy: 0.8774113613083512 Energy: 0.85854349890068 Energy: 0.861231471561762 Energy: 0.7473783933381026 Energy: 0.8612314715609058 Energy: 0.7473783933376744 Energy: 0.861231471561762 Energy: 0.7473783933406718 Energy: 0.7438451728124726 Energy: 0.7679899469670569 Energy: 0.7438451728163266 Energy: 0.7679899469653442 Energy: 0.7438451728171829 Energy: 0.7679899469662006 Energy: 0.9549427303486901 Energy: 0.8073443955803639 Energy: 0.954942730359395 Energy: 0.8073443955756535 Energy: 0.9549427303495465 Energy: 0.8073443955760817 Energy: 0.8031149022804835 Energy: 0.7724162247351133 Energy: 0.8031149022826245 Energy: 0.772416224738967 Energy: 0.8031149022869065 Energy: 0.7724162247423926 Energy: 0.7870674783091677 Energy: 0.7464238861596653 Energy: 0.7870674783121651 Energy: 0.7464088154651598 Energy: 0.7870674783108804 Energy: 0.7464238861506731 Energy: 0.8606816288398216 Energy: 0.8011984117362128 Energy: 0.8606816288381087 Energy: 0.83847210001574 Energy: 0.8606816288436753 Energy: 0.8011984117349282 Energy: 0.6868776095250999 Energy: 0.8898410657192071 Energy: 0.6868776095285256 Energy: 0.8898410657158203 Energy: 0.6868776095306665 Energy: 0.8898410657136794 Energy: 0.7519734203533006 Energy: 0.7494807149244577 Energy: 0.7519734203533006 Energy: 0.7494807149283115 Energy: 0.751973420349875 Energy: 0.7494807149257423 Energy: 0.7480167983806624 Energy: 0.9554428411039109 Energy: 0.748008074160506 Energy: 0.9554428411081927 Energy: 0.7480167983858007 Energy: 0.9554428411043389 Energy: 0.8977245389842996 Energy: 0.7540121969385397 Energy: 0.8977245389885814 Energy: 0.7540121969385397 Energy: 0.8977245389928635 Energy: 0.7540121969381115 Energy: 0.7474549146515905 Energy: 0.8136832119040951 Energy: 0.7474548691897415 Energy: 0.8136832118976722 Energy: 0.7474549146558727 Energy: 0.8136832119053798 Energy: 0.8449523999618329 Energy: 0.7521701071855051 Energy: 0.8449523999669712 Energy: 0.7521701071902153 Energy: 0.844952399962261 Energy: 0.7521701071914999 Energy: 0.7996374502345065 Energy: 0.8501502604124236 Energy: 0.799637450231081 Energy: 0.8501502604154209 Energy: 0.7996374502323655 Energy: 0.8501502604064287 Energy: 0.8106430792501043 Energy: 0.7694803107292361 Energy: 0.8106430792526733 Energy: 0.7694803107296642 Energy: 0.8106430792526733 Energy: 0.7694803107296642 Energy: 0.7456653559248524 Energy: 0.7596741101390865 Energy: 0.7456653559180013 Energy: 0.7596741101356609 Energy: 0.7456653559252805 Energy: 0.7596741101348046 Energy: 0.9185922357115407 Energy: 0.8060617270146433 Energy: 0.918592235707687 Energy: 0.8060617270180689 Energy: 0.9185922357072589 Energy: 0.8060617270150715 Energy: 0.8212741515083909 Energy: 0.7410503872216577 Energy: 0.8212741515096756 Energy: 0.7405796413016422 Energy: 0.821274151512673 Energy: 0.741050387215663 Energy: 0.7945922708385077 Energy: 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0.7496194261815241 Energy: 0.8039171646539018 Energy: 0.7493989023026503 Energy: 0.7513529611323224 Energy: 0.8546109153020366 Energy: 0.7513529611323224 Energy: 0.8804794921516426 Energy: 0.7513529611318942 Energy: 0.854610915302893 Energy: 0.8493437835391481 Energy: 0.7998541720945955 Energy: 0.8493437835348661 Energy: 0.836852776093216 Energy: 0.8493437835263022 Energy: 0.7998541720933108 Energy: 0.7691501055207356 Energy: 0.8458538484204068 Energy: 0.7691501055185944 Energy: 0.8458538484234043 Energy: 0.7691501055168817 Energy: 0.8458538484221195 Energy: 0.7676189700855012 Energy: 0.7463087695900076 Energy: 0.7676189700953496 Energy: 0.7463087695848692 Energy: 0.7676189700842166 Energy: 0.7463087695823002 Energy: 0.8061043176166774 Energy: 0.9211526015968952 Energy: 0.8061043176166774 Energy: 0.921152601596039 Energy: 0.8061043176175339 Energy: 0.9211526015849058 Energy: 0.7477264542741345 Energy: 0.8215394883315359 Energy: 0.7477494473218729 Energy: 0.8215394883311077 Energy: 0.7477264542720324 Energy: 0.8215394883302511 Energy: 0.7806943219050727 Energy: 0.7927600274461974 Energy: 0.7806943219037882 Energy: 0.792760027447482 Energy: 0.7806943219063572 Energy: 0.7927600274453412 Energy: 0.7996756880396332 Energy: 0.8614825544283933 Energy: 0.7996756880327821 Energy: 0.8614825544219702 Energy: 0.7996756880310693 Energy: 0.8614825544194011 Energy: 0.9027224336304973 Energy: 0.6850508685367384 Energy: 0.90272243363221 Energy: 0.6850508685328844 Energy: 0.9027224336304973 Energy: 0.6850508685260723 Energy: 0.747267210859838 Energy: 0.7384334962793637 Energy: 0.7472672108594098 Energy: 0.7384334962785074 Energy: 0.7472672108654046 Energy: 0.7384334962772229 minimum gb energy = 0.683673235623038 eV minimum distance = 2.41519674915365 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.7691625374234513 Energy: 0.7744863770776236 Energy: 0.7691625374244434 Energy: 0.7744863770776236 Energy: 0.7691625374234513 Energy: 0.7744863770776236 Energy: 0.8142686840735015 Energy: 0.7535941382600995 Energy: 0.8142686840735015 Energy: 0.7535941382600995 Energy: 0.8142686840735015 Energy: 0.7535941382600995 Energy: 0.7666316152694335 Energy: 0.7825485122620106 Energy: 0.7666316152694335 Energy: 0.7825485122610184 Energy: 0.7666316152694335 Energy: 0.7825485122610184 Energy: 0.7590034722781123 Energy: 0.7113807059925121 Energy: 0.7590034722781123 Energy: 0.7113807059925121 Energy: 0.7590034722781123 Energy: 0.7113807059925121 Energy: 0.8035780809303342 Energy: 0.7785957069061507 Energy: 0.803578080929342 Energy: 0.7785957069061507 Energy: 0.803578080929342 Energy: 0.7785957069061507 Energy: 0.7998944258580256 Energy: 0.7750407457097439 Energy: 0.7998944258590178 Energy: 0.7750407457097439 Energy: 0.7998944258590178 Energy: 0.7750407457087518 Energy: 0.7813485977763512 Energy: 0.7585765524773886 Energy: 0.7813485977763512 Energy: 0.7585765524773886 Energy: 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0.749236573878243 Energy: 0.7746584173228688 Energy: 0.7192739425112651 Energy: 0.7746584173228688 Energy: 0.7192739425112651 Energy: 0.774658417323861 Energy: 0.7192739425112651 Energy: 0.7597036466698018 Energy: 0.7629016519161097 Energy: 0.7597036466688099 Energy: 0.7629016519161097 Energy: 0.7597036466698018 Energy: 0.7629016519161097 Energy: 0.802402103637132 Energy: 0.7762313943803587 Energy: 0.802402103637132 Energy: 0.7762313943813509 Energy: 0.8024021036381243 Energy: 0.7762313943803587 Energy: 0.800463621701428 Energy: 0.8362193193100417 Energy: 0.800463621701428 Energy: 0.8362193193100417 Energy: 0.800463621701428 Energy: 0.836219319311034 Energy: 0.7826803079322013 Energy: 0.7586638447285312 Energy: 0.7826803079322013 Energy: 0.7586638447285312 Energy: 0.7826803079322013 Energy: 0.7586638447285312 minimum gb energy = 0.7011350055010938 eV minimum distance = 2.32686800492823 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.6792643225452769 Energy: 0.7258451609963876 Energy: 0.6294628167091236 Energy: 0.7258451609963876 Energy: 0.6792643225452769 Energy: 0.7258451609934451 Energy: 0.7696904604040612 Energy: 0.6630384670909395 Energy: 0.7696904604005301 Energy: 0.6630384670850813 Energy: 0.7696904604034727 Energy: 0.6630384671003555 Energy: 0.6895296472576163 Energy: 0.6491983955466177 Energy: 0.6895296472564394 Energy: 0.6491983955466177 Energy: 0.6895296472576163 Energy: 0.6491983955407328 Energy: 0.7329603704194771 Energy: 0.6898158026644726 Energy: 0.7329603704177117 Energy: 0.6898158026644726 Energy: 0.7329603704194771 Energy: 0.6898158026632956 Energy: 0.6958458336325406 Energy: 0.6256966428100197 Energy: 0.6958458336331291 Energy: 0.6256966428100197 Energy: 0.6958458336331291 Energy: 0.6256966428123736 Energy: 0.6421758266738572 Energy: 0.6256548256038318 Energy: 0.6421758266703261 Energy: 0.6256548256038318 Energy: 0.6421758266738572 Energy: 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0.7329603704194771 Energy: 0.6908208666408622 Energy: 0.7329603704177117 Energy: 0.6908208666408622 Energy: 0.7329603704194771 Energy: 0.6908208666373312 Energy: 0.6958458336325406 Energy: 0.6256966428100197 Energy: 0.6958458336325406 Energy: 0.6256966428094312 Energy: 0.6958458336325406 Energy: 0.6256966428106082 Energy: 0.6421758266726802 Energy: 0.6256548256061858 Energy: 0.6421758266703261 Energy: 0.6256548256061858 Energy: 0.6421758266726802 Energy: 0.6256548256026548 Energy: 0.6610524710860566 Energy: 0.689547290412259 Energy: 0.6610524710848796 Energy: 0.689547290412259 Energy: 0.6610524710866451 Energy: 0.689547290412259 Energy: 0.7012303380501386 Energy: 0.8221081935437519 Energy: 0.7017020246962976 Energy: 0.8221081935437519 Energy: 0.7012303380501386 Energy: 0.8221081935431631 Energy: 0.7230488688712171 Energy: 0.7423795081060248 Energy: 0.7539263908138197 Energy: 0.7423795081072019 Energy: 0.7230488688712171 Energy: 0.7423795081130868 Energy: 0.6792643225464539 Energy: 0.7258451609952106 Energy: 0.6294628167085352 Energy: 0.7258451609952106 Energy: 0.6792643225464539 Energy: 0.7258451609934451 Energy: 0.7696904604058267 Energy: 0.6630384670856697 Energy: 0.7696904604028841 Energy: 0.6630384670827273 Energy: 0.7696904604058267 Energy: 0.6630384670815503 Energy: 0.6895296472587934 Energy: 0.6491983955413213 Energy: 0.6895296472582049 Energy: 0.6491983955413213 Energy: 0.6895296472587934 Energy: 0.6491983955395558 Energy: 0.7329603704200657 Energy: 0.6898158026632956 Energy: 0.7329603704177117 Energy: 0.6898158026632956 Energy: 0.7329603704200657 Energy: 0.689815802663884 Energy: 0.6958458336337175 Energy: 0.6256966428100197 Energy: 0.6958458336348945 Energy: 0.6256966428100197 Energy: 0.6958458336331291 Energy: 0.6256966428117852 Energy: 0.6421758266715033 Energy: 0.6256548256044203 Energy: 0.6421758266691492 Energy: 0.6256548256044203 Energy: 0.6421758266709147 Energy: 0.6256548256032433 Energy: 0.6610524710848796 Energy: 0.6895472904128475 Energy: 0.661052471083114 Energy: 0.6895472904128475 Energy: 0.6610524710848796 Energy: 0.6895472904140245 Energy: 0.7016905886735184 Energy: 0.8221081935449288 Energy: 0.7016919468443287 Energy: 0.8221081935449288 Energy: 0.7016905886735184 Energy: 0.8221081935437519 Energy: 0.7539263908132311 Energy: 0.742379508109556 Energy: 0.7539263908149967 Energy: 0.7423795081107329 Energy: 0.7539263908132311 Energy: 0.7423795081107329 Energy: 0.6294628167091236 Energy: 0.7258451609963876 Energy: 0.6294628167085352 Energy: 0.725845160996976 Energy: 0.6294628167085352 Energy: 0.7258451609946222 Energy: 0.7696904604046497 Energy: 0.6630384670774307 Energy: 0.7696904604022957 Energy: 0.6630384670868468 Energy: 0.7696904604046497 Energy: 0.663038467089174 Energy: 0.6895296472599703 Energy: 0.6491983955424984 Energy: 0.6895296472611473 Energy: 0.6491983955430868 Energy: 0.6895296472599703 Energy: 0.6491983955389673 minimum gb energy = 0.6256548256014777 eV minimum distance = 2.43688468422914 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.6244014180599012 Energy: 0.6130177262378211 Energy: 0.6244014180613428 Energy: 0.6130177262378211 Energy: 0.6244014180599012 Energy: 0.6130177262378211 Energy: 0.7276338411580235 Energy: 0.6360354712935731 Energy: 0.7276338411580235 Energy: 0.6360354712935731 Energy: 0.7276338411580235 Energy: 0.6360354712935731 Energy: 0.6139241844247436 Energy: 0.6919485032909201 Energy: 0.6139241844247436 Energy: 0.6919485032923617 Energy: 0.6139241844247436 Energy: 0.6919485032923617 Energy: 0.7600560611473028 Energy: 0.5991666612635054 Energy: 0.7600560611516274 Energy: 0.5991666612649469 Energy: 0.7600560611458613 Energy: 0.5991666612649469 Energy: 0.7533576919417021 Energy: 0.597808698810272 Energy: 0.7533576919417021 Energy: 0.597808698810272 Energy: 0.7533576919402605 Energy: 0.5978086988088305 Energy: 0.7110887587440073 Energy: 0.7279707100104621 Energy: 0.711088758745449 Energy: 0.7279707100104621 Energy: 0.7110887587440073 Energy: 0.7279707100104621 Energy: 0.6394370743976706 Energy: 0.6378797978079411 Energy: 0.639437074396229 Energy: 0.6378797978079411 Energy: 0.639437074396229 Energy: 0.6378797978079411 Energy: 0.6200878438453766 Energy: 0.6159129819886009 Energy: 0.6200878438453766 Energy: 0.6159129819900424 Energy: 0.6200878438468183 Energy: 0.6159129819900424 Energy: 0.7255045722342116 Energy: 0.6397014642129603 Energy: 0.7255045722342116 Energy: 0.6397014642100773 Energy: 0.7255045722342116 Energy: 0.6397014642129603 Energy: 0.6809261591426355 Energy: 0.7144872569010479 Energy: 0.6809261591426355 Energy: 0.7144872568996062 Energy: 0.6809261591426355 Energy: 0.7144872569010479 Energy: 0.6500146498646299 Energy: 0.5997287540092763 Energy: 0.6500146498646299 Energy: 0.5997287540092763 Energy: 0.6500146498646299 Energy: 0.5997287540092763 Energy: 0.7541393803424583 Energy: 0.7312988950889421 Energy: 0.7541393803410168 Energy: 0.7312988950889421 Energy: 0.7541393803424583 Energy: 0.7312988950889421 minimum gb energy = 0.5978086988088305 eV minimum distance = 2.3466054283784 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.6270421624866962 Energy: 0.7504737340211033 Energy: 0.6270421624854811 Energy: 0.750473734028357 Energy: 0.6270421624875062 Energy: 0.750473734028357 Energy: 0.6798996257791351 Energy: 0.541654459440829 Energy: 0.6798996257758948 Energy: 0.541654459440424 Energy: 0.6798996257791351 Energy: 0.541654459440829 Energy: 0.5591213427417113 Energy: 0.6179429821426818 Energy: 0.5591213427453567 Energy: 0.6179429821422768 Energy: 0.5591213427421164 Energy: 0.6179429821422768 Energy: 0.5589843176001156 Energy: 0.5515007713286909 Energy: 0.5589843176029508 Energy: 0.5515007713286909 Energy: 0.5589843176009256 Energy: 0.5515007713286909 Energy: 0.6103254758236065 Energy: 0.6623653083617388 Energy: 0.6103254758264418 Energy: 0.6623653083609288 Energy: 0.6103254758280618 Energy: 0.6623653083609288 Energy: 0.6077322273128594 Energy: 0.5950161399280354 Energy: 0.6077322273132645 Energy: 0.5950161399292504 Energy: 0.6077322273132645 Energy: 0.5950161399292504 Energy: 0.5788022480016994 Energy: 0.6342420728057168 Energy: 0.5788022480004844 Energy: 0.6342420728057168 Energy: 0.5788022480021044 Energy: 0.6342420728057168 Energy: 0.5358099093177577 Energy: 0.6845043157024642 Energy: 0.5358099093181627 Energy: 0.6845043157020593 Energy: 0.5358099093173527 Energy: 0.6845043157020593 Energy: 0.6183971686609863 Energy: 0.6611654933535662 Energy: 0.6183971686622014 Energy: 0.6611654933535662 Energy: 0.6183971686622014 Energy: 0.6611654933535662 Energy: 0.6071189130508993 Energy: 0.6733408105960532 Energy: 0.6071189130504943 Energy: 0.6733408105956481 Energy: 0.6071189130504943 Energy: 0.6733408105964582 Energy: 0.5605643850132106 Energy: 0.5491294101787753 Energy: 0.5605643850132106 Energy: 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0.6749593329277589 Energy: 0.5468171637030775 Energy: 0.5602856075691258 Energy: 0.5828397687082648 Energy: 0.5602856075699358 Energy: 0.5828397687086698 Energy: 0.5602856075687208 Energy: 0.5828397687082648 Energy: 0.5384462154902061 Energy: 0.8682882297797961 Energy: 0.5384462154869658 Energy: 0.8682882297797961 Energy: 0.5384462154902061 Energy: 0.8682882297797961 Energy: 0.741355973637864 Energy: 0.5987090490546997 Energy: 0.7413559736354338 Energy: 0.5987090490555098 Energy: 0.741355973636649 Energy: 0.5987090490546997 Energy: 0.5384181979359706 Energy: 0.8682590646118565 Energy: 0.5384181979331354 Energy: 0.8682590646118565 Energy: 0.5384181979367806 Energy: 0.8682590646118565 Energy: 0.5604788798493349 Energy: 0.5825314486118277 Energy: 0.5604788798529801 Energy: 0.5825314486114227 Energy: 0.5604788798497398 Energy: 0.5825314486114227 Energy: 0.6752402136971504 Energy: 0.5469131674021693 Energy: 0.6752402136983655 Energy: 0.5469131674009542 Energy: 0.6752402137012008 Energy: 0.5469131674017643 Energy: 0.5526082519134462 Energy: 0.6124991031376122 Energy: 0.5526082519138512 Energy: 0.6124991031420678 Energy: 0.5526082519130413 Energy: 0.6124991031404475 Energy: 0.5544705837215909 Energy: 0.6117163363833001 Energy: 0.5544705837211859 Energy: 0.611716336382895 Energy: 0.5544705837215909 Energy: 0.6117163363837052 Energy: 0.6309154641782069 Energy: 0.6539678542727418 Energy: 0.6309154641782069 Energy: 0.6539678542727418 Energy: 0.6309154641782069 Energy: 0.6539678542727418 Energy: 0.5950224343310181 Energy: 0.5842746728826258 Energy: 0.5950224343314231 Energy: 0.5842746728838408 Energy: 0.5950224343310181 Energy: 0.5842746728838408 Energy: 0.5807928104750735 Energy: 0.5959338822626526 Energy: 0.5807928104770986 Energy: 0.5959338822626526 Energy: 0.5807928104758836 Energy: 0.5959338822626526 Energy: 0.5605503964230468 Energy: 0.5491558168268629 Energy: 0.5605503964226418 Energy: 0.5491558168268629 Energy: 0.5605503964246671 Energy: 0.5491558168272679 Energy: 0.6073009030416842 Energy: 0.5884594933475753 Energy: 0.6073009030400639 Energy: 0.5884594933475753 Energy: 0.607300903041279 Energy: 0.5884594933475753 Energy: 0.6303832721496111 Energy: 0.6611466322577216 Energy: 0.6303832721488011 Energy: 0.6611466322577216 Energy: 0.6303832721512314 Energy: 0.6611466322577216 Energy: 0.5358697511291943 Energy: 0.6844155396618655 Energy: 0.5358697511300045 Energy: 0.6844155396618655 Energy: 0.5358697511279792 Energy: 0.6844155396618655 Energy: 0.5791144967778126 Energy: 0.6342468029251866 Energy: 0.5791144967782177 Energy: 0.6342468029247815 Energy: 0.5791144967782177 Energy: 0.6342468029247815 Energy: 0.6069503674133937 Energy: 0.5950506229534913 Energy: 0.6069503674117734 Energy: 0.5950506229522762 Energy: 0.6069503674121784 Energy: 0.5950506229534913 Energy: 0.6103479508333312 Energy: 0.6628336928251483 Energy: 0.6103479508345463 Energy: 0.6628336928259584 Energy: 0.6103479508341412 Energy: 0.6628336928251483 Energy: 0.5593149030108882 Energy: 0.5515273864000718 Energy: 0.559314903009673 Energy: 0.5515273864000718 Energy: 0.559314903010483 Energy: 0.5515273864004769 Energy: 0.5597197244521854 Energy: 0.6177887859020712 Energy: 0.5597197244513753 Energy: 0.6177887859012611 Energy: 0.5597197244521854 Energy: 0.6177887859016662 Energy: 0.6799818601670674 Energy: 0.5414727446391463 Energy: 0.6799818601658523 Energy: 0.5414727446387413 Energy: 0.6799818601662573 Energy: 0.5414727446391463 Energy: 0.6270421624923667 Energy: 0.750473734027952 Energy: 0.6270421624935818 Energy: 0.7504737340263318 Energy: 0.6270421624931768 Energy: 0.7504737340275469 Energy: 0.6798996257819703 Energy: 0.5652222836538326 Energy: 0.6798996257880457 Energy: 0.5652222836550478 Energy: 0.6798996257860206 Energy: 0.5652222836550478 Energy: 0.5591213427417113 Energy: 0.617942982145517 Energy: 0.5591213427441416 Energy: 0.617942982145922 Energy: 0.5591213427429265 Energy: 0.617942982145112 Energy: 0.5589843176013307 Energy: 0.5515007713274759 Energy: 0.5589843176013307 Energy: 0.5515007713274759 Energy: 0.5589843175997105 Energy: 0.5515007713274759 Energy: 0.610325475828467 Energy: 0.6623653083605237 Energy: 0.610325475828467 Energy: 0.6623653083613338 Energy: 0.6103254758276568 Energy: 0.6623653083605237 minimum gb energy = 0.5358099093173527 eV minimum distance = 2.3790739760929 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.25859195861925277 Energy: 0.2660381515773309 Energy: 0.25859195861925277 Energy: 0.26603815157364286 Energy: 0.2585919586201748 Energy: 0.26603815157825283 Energy: 0.3346509654382914 Energy: 0.2594969717235113 Energy: 0.33465096543921347 Energy: 0.2594969717235113 Energy: 0.33465096544013545 Energy: 0.2594969717235113 Energy: 0.2899721207262712 Energy: 0.3289880618823116 Energy: 0.2899721207262712 Energy: 0.3289880618850776 Energy: 0.2899721207262712 Energy: 0.3289880618832336 Energy: 0.26850004609472683 Energy: 0.2584754322654982 Energy: 0.26850004609472683 Energy: 0.2584754322654982 Energy: 0.26850004609472683 Energy: 0.25847543226642017 Energy: 0.33440070160828206 Energy: 0.341475461332174 Energy: 0.33440070160920404 Energy: 0.341475461332174 Energy: 0.33440070160920404 Energy: 0.341475461332174 Energy: 0.25877345509445054 Energy: 0.2907998955122691 Energy: 0.2587734550935286 Energy: 0.2907998955260572 Energy: 0.2587734550926066 Energy: 0.2907998955178011 Energy: 0.2586716191298549 Energy: 0.2902058627555455 Energy: 0.2586716191298549 Energy: 0.29020586275738947 Energy: 0.2586716191307769 Energy: 0.29020586276107746 Energy: 0.3343676244756605 Energy: 0.3414420297560039 Energy: 0.3343676244765824 Energy: 0.3414420297560039 Energy: 0.3343676244756605 Energy: 0.3414420297560039 Energy: 0.2682857267001437 Energy: 0.2584468023130582 Energy: 0.2682857267010657 Energy: 0.2584468023232003 Energy: 0.2682857267001437 Energy: 0.25844680230476025 Energy: 0.2899568334360723 Energy: 0.32894670293062106 Energy: 0.2899568334360723 Energy: 0.32894670293430905 Energy: 0.28995683343699435 Energy: 0.32894670293338707 Energy: 0.3346216791957656 Energy: 0.25950126362410236 Energy: 0.33462167919668756 Energy: 0.2595012636250244 Energy: 0.33462167919668756 Energy: 0.25950126362410236 Energy: 0.2585919586201748 Energy: 0.2660381515745649 Energy: 0.25859195861925277 Energy: 0.2660381515773309 Energy: 0.2585919586201748 Energy: 0.26603815157272087 Energy: 0.33465096544013545 Energy: 0.2594969717207453 Energy: 0.33465096543921347 Energy: 0.25949697173734126 Energy: 0.33465096543921347 Energy: 0.25949697172166725 Energy: 0.2899721207262712 Energy: 0.32898806188138957 Energy: 0.2899721207253492 Energy: 0.3289880618823116 Energy: 0.2899721207262712 Energy: 0.3289880618795456 Energy: 0.26850004609472683 Energy: 0.2584754322654982 Energy: 0.26850004609380484 Energy: 0.2584754322654982 Energy: 0.26850004609472683 Energy: 0.25847543226457614 Energy: 0.334400701610126 Energy: 0.341475461332174 Energy: 0.33440070160828206 Energy: 0.341475461332174 Energy: 0.33440070160920404 Energy: 0.341475461332174 Energy: 0.2587734550935286 Energy: 0.2907998955196451 Energy: 0.2587734550935286 Energy: 0.29079989551411306 Energy: 0.2587734550935286 Energy: 0.29079989552513524 Energy: 0.2586716191270889 Energy: 0.2902058627564675 Energy: 0.25867161912247894 Energy: 0.29020586275370147 Energy: 0.25867161912893294 Energy: 0.29020586275462346 Energy: 0.3343676244765824 Energy: 0.34144202975692584 Energy: 0.3343676244765824 Energy: 0.3414420297560039 Energy: 0.3343676244756605 Energy: 0.34144202975692584 minimum gb energy = 0.25844680230476025 eV minimum distance = 2.44792912839114 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5554182378700867 Energy: 0.6235283554535104 Energy: 0.5554182378680605 Energy: 0.623528355452835 Energy: 0.5554182378687359 Energy: 0.623528355452835 Energy: 0.5419182989419559 Energy: 0.5680598062625037 Energy: 0.5419182989392544 Energy: 0.5680598062625037 Energy: 0.5419182989392544 Energy: 0.5680598062625037 Energy: 0.5370516682805521 Energy: 0.6984810221593241 Energy: 0.5370516682798766 Energy: 0.6984810221593241 Energy: 0.5370516682785259 Energy: 0.6984810221586487 Energy: 0.5728847689740252 Energy: 0.5023226730836634 Energy: 0.5728847689733497 Energy: 0.5023226730836634 Energy: 0.5728847689726744 Energy: 0.5023226730829881 Energy: 0.610515738671058 Energy: 0.5081762699300852 Energy: 0.6105157386730842 Energy: 0.5081762699300852 Energy: 0.6105157386730842 Energy: 0.5081762699300852 Energy: 0.5813088198178947 Energy: 0.4926838960261916 Energy: 0.5813088198165439 Energy: 0.4926838960255162 Energy: 0.5813088198178947 Energy: 0.4926838960255162 Energy: 0.4765239689157477 Energy: 0.5301349431354694 Energy: 0.4765239689164231 Energy: 0.5301349431361447 Energy: 0.4765239689150723 Energy: 0.5301349431361447 Energy: 0.5730008001163965 Energy: 0.46143298187151954 Energy: 0.573000800115046 Energy: 0.46143298187219495 Energy: 0.5730008001184228 Energy: 0.46143298187219495 Energy: 0.5739171322167593 Energy: 0.4792852789827543 Energy: 0.5739171322147331 Energy: 0.4792852789827543 Energy: 0.5739171322167593 Energy: 0.4792852789827543 Energy: 0.4707967381790208 Energy: 0.5285910361005377 Energy: 0.47079673817767004 Energy: 0.528591036101213 Energy: 0.4707967381790208 Energy: 0.528591036101213 Energy: 0.6349101927970529 Energy: 0.6253605492635839 Energy: 0.6349101927977282 Energy: 0.6253605492622331 Energy: 0.6349101927984035 Energy: 0.6253605492629084 Energy: 0.5702444513491378 Energy: 0.4838490717475886 Energy: 0.5702444513498132 Energy: 0.4838490717475886 Energy: 0.5702444513491378 Energy: 0.4838490717469133 Energy: 0.6280657669918198 Energy: 0.503949214461625 Energy: 0.6280657669985736 Energy: 0.503949214461625 Energy: 0.6280657669918198 Energy: 0.503949214461625 Energy: 0.5850901683473878 Energy: 0.559570548590858 Energy: 0.5850901683467122 Energy: 0.559570548590858 Energy: 0.5850901683480632 Energy: 0.5595705485895073 Energy: 0.5568814967689206 Energy: 0.4776559756406082 Energy: 0.5568814967675698 Energy: 0.4776559756662727 Energy: 0.5568814967668945 Energy: 0.47765597563993273 Energy: 0.548796702045785 Energy: 0.6243056029476008 Energy: 0.5487967020444341 Energy: 0.6243056029476008 Energy: 0.5487967020451094 Energy: 0.6243056029476008 Energy: 0.49474313738471604 Energy: 0.5675234446188707 Energy: 0.49474313738539144 Energy: 0.5675234446181955 Energy: 0.4947431373833653 Energy: 0.5675234446181955 Energy: 0.7291241596539167 Energy: 0.566830364556211 Energy: 0.7291241596532414 Energy: 0.5668303645575616 Energy: 0.7291241596552674 Energy: 0.5668303645575616 Energy: 0.5708608191753535 Energy: 0.49827615001045533 Energy: 0.5708608191746781 Energy: 0.4982761500111308 Energy: 0.5708608191740028 Energy: 0.49827615001180614 Energy: 0.570494841884159 Energy: 0.5200357650599698 Energy: 0.570494841884159 Energy: 0.520035765061996 Energy: 0.5704948418855098 Energy: 0.5200357650606453 Energy: 0.47181326404873597 Energy: 0.4941204552241291 Energy: 0.47181326404873597 Energy: 0.4941204552248046 Energy: 0.4718132640480606 Energy: 0.4941204552227784 Energy: 0.5101829021969142 Energy: 0.5286027099486682 Energy: 0.5101829021948882 Energy: 0.5286027099486682 Energy: 0.5101829021975895 Energy: 0.5286027099486682 Energy: 0.4969765020352464 Energy: 0.5622135206909539 Energy: 0.496976502039974 Energy: 0.5622135206902784 Energy: 0.4969765020352464 Energy: 0.5622135206902784 Energy: 0.5749437164539057 Energy: 0.5559198960719932 Energy: 0.5749437164512042 Energy: 0.5559198960719932 Energy: 0.5749437164518796 Energy: 0.5559198960719932 Energy: 0.4725879524965878 Energy: 0.5294983041032602 Energy: 0.4725879524945617 Energy: 0.5294983041038741 Energy: 0.4725879524945617 Energy: 0.5294983041025847 Energy: 0.5732252421958551 Energy: 0.625865197164936 Energy: 0.5732252421965307 Energy: 0.625865197164936 Energy: 0.5732252421958551 Energy: 0.6258651971656114 minimum gb energy = 0.46143298187151954 eV minimum distance = 2.3719655721261 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5989458608484413 Energy: 0.5545188738476575 Energy: 0.5989458608484413 Energy: 0.5545188738481898 Energy: 0.5989458608479089 Energy: 0.5545188738476575 Energy: 0.5856999653674312 Energy: 0.6633995034938904 Energy: 0.5856999653684959 Energy: 0.6633995034938904 Energy: 0.5856999653679635 Energy: 0.6633995034933582 Energy: 0.6005226027237038 Energy: 0.8330262743305082 Energy: 0.6005226027226392 Energy: 0.8330262743305082 Energy: 0.6005226027258331 Energy: 0.8330262743305082 Energy: 0.5918967397113778 Energy: 0.546640061383804 Energy: 0.5918967397092486 Energy: 0.5466400613832718 Energy: 0.5918967397103132 Energy: 0.5466400613832718 Energy: 0.5311936181626854 Energy: 0.5696629274815254 Energy: 0.5311936181626854 Energy: 0.5696629274815254 Energy: 0.5311936181626854 Energy: 0.5696629274815254 Energy: 0.5877744176806633 Energy: 0.577325661530032 Energy: 0.5877744176258588 Energy: 0.5773256615310965 Energy: 0.5877744176524747 Energy: 0.5773256615294996 Energy: 0.5300112112304208 Energy: 0.6765080916801122 Energy: 0.5300112112298885 Energy: 0.6765080916806445 Energy: 0.5300112112298885 Energy: 0.6765080916806445 Energy: 0.5405743139826555 Energy: 0.5466470926458319 Energy: 0.5405743139831879 Energy: 0.5466470926458319 Energy: 0.5405743139826555 Energy: 0.5466470926458319 Energy: 0.5232364628270905 Energy: 0.5382189771245816 Energy: 0.5232364628265582 Energy: 0.5382189771245816 Energy: 0.5232364628270905 Energy: 0.5382189771245816 Energy: 0.5714015806319539 Energy: 0.707631873976359 Energy: 0.5714015806330185 Energy: 0.7076318739758267 Energy: 0.5714015806314217 Energy: 0.707631873976359 Energy: 0.5696454667860688 Energy: 0.707086365491764 Energy: 0.5696454667860688 Energy: 0.707086365491764 Energy: 0.5696454667860688 Energy: 0.707086365491764 Energy: 0.5256559517010334 Energy: 0.6636663484804385 Energy: 0.5256559517010334 Energy: 0.6231556201034383 Energy: 0.5256559517010334 Energy: 0.6636663484804385 Energy: 0.5518676605058337 Energy: 0.5521362973266729 Energy: 0.5518676605053013 Energy: 0.5521362973261406 Energy: 0.5518676605058337 Energy: 0.5521362973261406 Energy: 0.4999166327290203 Energy: 0.6769341170431367 Energy: 0.4999166327295527 Energy: 0.6769341170431367 Energy: 0.499916632728488 Energy: 0.6769341170436689 Energy: 0.5699373433824366 Energy: 0.6531661439689901 Energy: 0.5699373433808397 Energy: 0.6531661439689901 Energy: 0.5699373433824366 Energy: 0.6531661439695224 Energy: 0.5344516445365107 Energy: 0.6598727960142795 Energy: 0.534451644537043 Energy: 0.6598727960142795 Energy: 0.534451644537043 Energy: 0.6598727960142795 Energy: 0.5403070510693944 Energy: 0.5517868451298649 Energy: 0.5403070510683298 Energy: 0.5517868451288003 Energy: 0.5403070510693944 Energy: 0.5517868451293326 Energy: 0.593099202740481 Energy: 0.8299739723050081 Energy: 0.593099202740481 Energy: 0.8299739723044758 Energy: 0.5930992027410134 Energy: 0.8299739723050081 Energy: 0.5801771284864152 Energy: 0.586021336631266 Energy: 0.5801771284864152 Energy: 0.5860213366317982 Energy: 0.580177128485883 Energy: 0.586021336631266 Energy: 0.5833724418003667 Energy: 0.6202135404608473 Energy: 0.5833724418014314 Energy: 0.620213540220361 Energy: 0.5833724418003667 Energy: 0.6202135401735415 Energy: 0.5171141818059686 Energy: 0.6701959257764128 Energy: 0.5171141818065008 Energy: 0.6701959257769451 Energy: 0.5171141818065008 Energy: 0.6701959257769451 Energy: 0.5794862767791602 Energy: 0.7337248424395055 Energy: 0.579486276777031 Energy: 0.7337248424400379 Energy: 0.5794862767780956 Energy: 0.7337248424395055 Energy: 0.5883961929022099 Energy: 0.5353357944432177 Energy: 0.5883961929000806 Energy: 0.5353357944432177 Energy: 0.5883961929016776 Energy: 0.5353357944432177 Energy: 0.5344443537836907 Energy: 0.6653362891138367 Energy: 0.5344443537831584 Energy: 0.6653362891143689 Energy: 0.534444353784223 Energy: 0.6653362891143689 Energy: 0.49819819972712237 Energy: 0.5785444247663808 Energy: 0.49819819972765467 Energy: 0.5785444247605253 Energy: 0.49819819972765467 Energy: 0.5785444247552022 Energy: 0.5301001956680103 Energy: 0.6845818013122972 Energy: 0.5301001956680103 Energy: 0.6845818013133619 Energy: 0.5301001956674779 Energy: 0.6845818013138941 Energy: 0.5220418439332591 Energy: 0.5356577264134068 Energy: 0.5220418439337672 Energy: 0.5356577264134068 Energy: 0.5220418439332591 Energy: 0.5356577264134068 Energy: 0.5252185640890471 Energy: 0.6743982695433964 Energy: 0.5252185640879824 Energy: 0.6355298935951053 Energy: 0.5252185640885147 Energy: 0.6743982695481874 Energy: 0.5753649015972248 Energy: 0.5645684673162422 Energy: 0.5753649015966925 Energy: 0.5645684673162422 Energy: 0.5753649015972248 Energy: 0.5645684673141128 Energy: 0.7124905624921986 Energy: 0.5637849878612352 Energy: 0.7124905624906016 Energy: 0.5637849878612352 Energy: 0.7124905624927308 Energy: 0.5637849878628322 Energy: 0.5139953235757859 Energy: 0.5334714316348204 Energy: 0.5139953235747213 Energy: 0.5334714316353527 Energy: 0.5139953235752537 Energy: 0.5334714316326911 Energy: 0.5535586286626595 Energy: 0.550812607783757 Energy: 0.5535586286626595 Energy: 0.550812607783757 Energy: 0.5535586286631918 Energy: 0.5508126077842893 Energy: 0.4988967890946083 Energy: 0.5487192762962543 Energy: 0.49889678909567287 Energy: 0.5487192762962543 Energy: 0.49889678909514057 Energy: 0.5487192762951897 minimum gb energy = 0.49819819972712237 eV minimum distance = 2.38732490403842 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6128135562174534 Energy: 0.5772035898355503 Energy: 0.6128135562174534 Energy: 0.5772035898355503 Energy: 0.612813556218574 Energy: 0.5772035898355503 Energy: 0.6678667917368901 Energy: 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0.6624580510119739 Energy: 0.5841570713220795 Energy: 0.6624580510123474 Energy: 0.5841570713235738 Energy: 0.6624580510112267 Energy: 0.5954754739926138 Energy: 0.6429783946414065 Energy: 0.5954754739911193 Energy: 0.642978394634682 Energy: 0.5954754739929873 Energy: 0.6429783946369234 Energy: 0.6132219736469393 Energy: 0.5779121620929817 Energy: 0.6132219736473128 Energy: 0.577912162092608 Energy: 0.6132219736469393 Energy: 0.5779121620929817 Energy: 0.6542488850362699 Energy: 0.5960905824356086 Energy: 0.6542488850358964 Energy: 0.5960905824356086 Energy: 0.6542488850355227 Energy: 0.5960905824356086 Energy: 0.5713314270265546 Energy: 0.6151714227131103 Energy: 0.571331427026181 Energy: 0.6151714227112425 Energy: 0.571331427026181 Energy: 0.6151714227123631 Energy: 0.5928382105029106 Energy: 0.574320092441711 Energy: 0.5928382105073936 Energy: 0.574320092441711 Energy: 0.5928382105092616 Energy: 0.574320092441711 Energy: 0.5790623501952067 Energy: 0.6009692925247263 Energy: 0.5790623501970745 Energy: 0.6009692925329452 Energy: 0.5790623501970745 Energy: 0.6009692925284622 Energy: 0.6105793030131329 Energy: 0.5910090393603631 Energy: 0.6105793030176159 Energy: 0.5910090393607366 Energy: 0.6105793030135064 Energy: 0.5910090393607366 Energy: 0.5677092398598848 Energy: 0.665466411991558 Energy: 0.567709239858764 Energy: 0.6654664119911844 Energy: 0.5677092398595112 Energy: 0.665466411991558 minimum gb energy = 0.5520322999425334 eV minimum distance = 2.36560003125679 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.6025352834046617 Energy: 0.5906511370769212 Energy: 0.6025352834044346 Energy: 0.5906511370771765 Energy: 0.6025352834044346 Energy: 0.5906511370771765 Energy: 0.6001687251448002 Energy: 0.4829479156585649 Energy: 0.6001687251445733 Energy: 0.4829479156585649 Energy: 0.6001687251448002 Energy: 0.4829479156585649 Energy: 0.6044299404842658 Energy: 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0.6765591126093149 Energy: 0.7538314883609308 Energy: 0.6765591126093149 Energy: 0.6143394337220143 Energy: 0.7333858707116524 Energy: 0.6143394337220143 Energy: 0.7333858707116524 Energy: 0.614339433722587 Energy: 0.7333858707116524 Energy: 0.7506103573922275 Energy: 0.7177699212905911 Energy: 0.7506103573916546 Energy: 0.7177699212905911 Energy: 0.7506103573916546 Energy: 0.7177699212905911 Energy: 0.7450377742250788 Energy: 0.678769354103857 Energy: 0.745037774224506 Energy: 0.678769354103857 Energy: 0.745037774224506 Energy: 0.678769354103857 Energy: 0.6844530814693517 Energy: 0.7145315827170049 Energy: 0.6844530814704973 Energy: 0.7145315827164321 Energy: 0.6844530814699246 Energy: 0.7145315827170049 Energy: 0.6918949935714739 Energy: 0.7669170526384148 Energy: 0.6918949935714739 Energy: 0.7669170526384148 Energy: 0.6918949935714739 Energy: 0.7669170526389876 minimum gb energy = 0.5990640204425642 eV minimum distance = 2.33637691366642 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7597163645273397 Energy: 0.6052309066997488 Energy: 0.7597163645258563 Energy: 0.6052309066997488 Energy: 0.7597163645295647 Energy: 0.6052309066990071 Energy: 0.6957887037136141 Energy: 0.6622055147335859 Energy: 0.6957887037136141 Energy: 0.6622055147343275 Energy: 0.6957887037136141 Energy: 0.6622055147328442 Energy: 0.6744402654177934 Energy: 0.7740967302099343 Energy: 0.6744402654192768 Energy: 0.7740967302099343 Energy: 0.6744402654177934 Energy: 0.7740967302077093 Energy: 0.657129724004792 Energy: 0.7246304160897151 Energy: 0.657129724002567 Energy: 0.7246304160897151 Energy: 0.6571297240018253 Energy: 0.7246304160897151 Energy: 0.7028193485310786 Energy: 0.7175384938135002 Energy: 0.7028193485318203 Energy: 0.7175384938135002 Energy: 0.7028193485266288 Energy: 0.7175384938135002 Energy: 0.6724498520710321 Energy: 0.5694250997079233 Energy: 0.6724498520702905 Energy: 0.5694250997079233 Energy: 0.6724498520702905 Energy: 0.5694250997071817 Energy: 0.6804810142574479 Energy: 0.7353576333929416 Energy: 0.6804810142567062 Energy: 0.7353576333929416 Energy: 0.6804810142544813 Energy: 0.7353576333929416 Energy: 0.7421086371555233 Energy: 0.6373959891471426 Energy: 0.7421086371614566 Energy: 0.6373959891471426 Energy: 0.742108637156265 Energy: 0.6373959891478842 Energy: 0.7772454371729964 Energy: 0.6580834061847063 Energy: 0.7772454371737383 Energy: 0.6580834061869313 Energy: 0.7772454371729964 Energy: 0.6580834061884145 Energy: 0.5587346807327269 Energy: 0.5697232983522623 Energy: 0.5587346807319853 Energy: 0.5697232983522623 Energy: 0.5587346807334687 Energy: 0.5697232983515206 Energy: 0.6804746029059808 Energy: 0.6384022374599047 Energy: 0.6804746029037557 Energy: 0.6384022374599047 Energy: 0.6804746029022725 Energy: 0.638402237459163 Energy: 0.7424983192163119 Energy: 0.709869746647623 Energy: 0.7424983192237284 Energy: 0.7098697466483647 Energy: 0.7424983192177952 Energy: 0.7098697466483647 Energy: 0.6362568217137602 Energy: 0.6579664245851986 Energy: 0.6362568217130186 Energy: 0.6579664245859403 Energy: 0.6362568217137602 Energy: 0.6579664245851986 Energy: 0.7320517546376256 Energy: 0.6178887793305882 Energy: 0.7320517546398507 Energy: 0.6178887793305882 Energy: 0.7320517546376256 Energy: 0.6178887793305882 Energy: 0.6703589189099137 Energy: 0.6475304737068149 Energy: 0.6703589189158471 Energy: 0.6475304737075568 Energy: 0.6703589189151055 Energy: 0.6475304737068149 Energy: 0.7835836628573732 Energy: 0.6900458577570477 Energy: 0.7835836628581149 Energy: 0.6900458577563061 Energy: 0.7835836628551482 Energy: 0.6900458577570477 Energy: 0.5547842554665315 Energy: 0.6980060680558606 Energy: 0.5547842554672732 Energy: 0.698006068055119 Energy: 0.5547842554672732 Energy: 0.6980060680558606 Energy: 0.6774351724294801 Energy: 0.612432569955523 Energy: 0.6774351724287384 Energy: 0.612432569955523 Energy: 0.6774351724279968 Energy: 0.6124325699562646 Energy: 0.5547618435101693 Energy: 0.6977031663772767 Energy: 0.554761843510911 Energy: 0.6977031663772767 Energy: 0.554761843510911 Energy: 0.6977031663772767 Energy: 0.7836748745058202 Energy: 0.6898100657959982 Energy: 0.7836748745065618 Energy: 0.68981006579674 Energy: 0.7836748745050786 Energy: 0.6898100657974816 Energy: 0.6700608521587584 Energy: 0.6474905214023793 Energy: 0.6700608521646579 Energy: 0.6474905214023793 Energy: 0.6700608521602417 Energy: 0.6474905214023793 Energy: 0.7319094929446588 Energy: 0.6181094905925074 Energy: 0.7319094929454004 Energy: 0.6181094905947325 Energy: 0.7319094929446588 Energy: 0.618109490593249 Energy: 0.6359302023872915 Energy: 0.6579439859974163 Energy: 0.6359302023872915 Energy: 0.6579439859974163 Energy: 0.6359302023880331 Energy: 0.657943985998158 Energy: 0.7420095567454921 Energy: 0.7097593720068214 Energy: 0.7420095567492004 Energy: 0.7097593720060797 Energy: 0.7420095567454921 Energy: 0.7097593720068214 minimum gb energy = 0.5547618435101693 eV minimum distance = 2.37868841031004 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.7514153675762488 Energy: 0.6312101783419125 Energy: 0.7514153675762488 Energy: 0.6312101783429613 Energy: 0.7514153675762488 Energy: 0.6312101783429613 Energy: 0.6608578588496854 Energy: 0.5939433291639981 Energy: 0.6608578588496854 Energy: 0.5939433291629492 Energy: 0.6608578588496854 Energy: 0.5939433291650469 Energy: 0.6299876683038572 Energy: 0.7341916166483681 Energy: 0.6299876683038572 Energy: 0.7341916166483681 Energy: 0.6299876683038572 Energy: 0.7341916166483681 Energy: 0.661296029073802 Energy: 0.7311552686079206 Energy: 0.661296029073802 Energy: 0.7311552686079206 Energy: 0.661296029073802 Energy: 0.7311552686079206 Energy: 0.6688105282660772 Energy: 0.7212123557532906 Energy: 0.6688105282671262 Energy: 0.7212123557532906 Energy: 0.6688105282650284 Energy: 0.7212123557532906 Energy: 0.6010537409982603 Energy: 0.5957410291043932 Energy: 0.6010537409982603 Energy: 0.5957410291043932 Energy: 0.6010537409982603 Energy: 0.5957410291043932 Energy: 0.5891133358863625 Energy: 0.5946407730382935 Energy: 0.5891133358853138 Energy: 0.5946407730382935 Energy: 0.5891133358853138 Energy: 0.5946407730382935 Energy: 0.6611786293640852 Energy: 0.7279188345041522 Energy: 0.6611786293640852 Energy: 0.7279188345041522 Energy: 0.6611786293640852 Energy: 0.7279188345031034 Energy: 0.617602220126988 Energy: 0.6893239624076699 Energy: 0.6176022201280369 Energy: 0.6893239624076699 Energy: 0.6176022201280369 Energy: 0.6893239624076699 Energy: 0.6280985903610218 Energy: 0.6015767553260293 Energy: 0.6280985903620706 Energy: 0.6015767553270545 Energy: 0.6280985903610218 Energy: 0.601576755330201 Energy: 0.7753297544219343 Energy: 0.6738603345853468 Energy: 0.775329754422983 Energy: 0.6738603345853468 Energy: 0.7753297544219343 Energy: 0.6738603345863956 Energy: 0.6167960475425935 Energy: 0.6939850861987282 Energy: 0.616796047540496 Energy: 0.6939850861976793 Energy: 0.6167960475394471 Energy: 0.6939850861987282 Energy: 0.5610841914001474 Energy: 0.7038055039801023 Energy: 0.5610841914011964 Energy: 0.7038055040660611 Energy: 0.5610841913980499 Energy: 0.7038055040199351 Energy: 0.6373764912599517 Energy: 0.6247403508638039 Energy: 0.6373764912599517 Energy: 0.6247403508638039 Energy: 0.6373764912599517 Energy: 0.6247403508638039 Energy: 0.6886079525835531 Energy: 0.747716708979026 Energy: 0.6886079525835531 Energy: 0.747716708979026 Energy: 0.6886079525835531 Energy: 0.747716708979026 Energy: 0.6003631143085374 Energy: 0.5950948810666246 Energy: 0.6003631143085374 Energy: 0.595094881069771 Energy: 0.6003631143085374 Energy: 0.595094881069771 Energy: 0.6360283164436061 Energy: 0.6258584803582471 Energy: 0.6360283164436061 Energy: 0.6258584803582471 Energy: 0.6360283164436061 Energy: 0.6258584803582471 minimum gb energy = 0.5610841913980499 eV minimum distance = 2.36909043498449 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.7315274475426585 Energy: 0.5860584090977011 Energy: 0.7315274475418484 Energy: 0.5860584090985113 Energy: 0.7315274475422535 Energy: 0.5860584091005363 Energy: 0.6552572930407321 Energy: 0.5563334792696956 Energy: 0.6552572930411371 Energy: 0.5563334792733408 Energy: 0.655257293040327 Energy: 0.556333479274961 Energy: 0.5935436725717502 Energy: 0.6001834093395338 Energy: 0.5935436725725602 Energy: 0.6001834093399389 Energy: 0.5935436725713452 Energy: 0.6001834093399389 Energy: 0.6802555250671287 Energy: 0.567272127600365 Energy: 0.6802555250659136 Energy: 0.56727212759915 Energy: 0.6802555250687489 Energy: 0.567272127600365 Energy: 0.6476731364338448 Energy: 0.6391210454560046 Energy: 0.6476731364338448 Energy: 0.6391210454551945 Energy: 0.6476731364342498 Energy: 0.6391210454560046 Energy: 0.5741366818970028 Energy: 0.5867089346194203 Energy: 0.574136681897813 Energy: 0.5867089346194203 Energy: 0.5741366818953827 Energy: 0.5867089346194203 Energy: 0.6707006963845851 Energy: 0.5608949836609521 Energy: 0.670700696383775 Energy: 0.5608949836605471 Energy: 0.6707006963858003 Energy: 0.5608949836597371 Energy: 0.6991609246578351 Energy: 0.7051661860025896 Energy: 0.6991609246578351 Energy: 0.7051661860029946 Energy: 0.6991609246574301 Energy: 0.7051661860021845 Energy: 0.5787466671447633 Energy: 0.6959919614742216 Energy: 0.5787466671435482 Energy: 0.6959919614738166 Energy: 0.5787466671451684 Energy: 0.6959919614738166 Energy: 0.6427429731572862 Energy: 0.5305464077832717 Energy: 0.6427429731568812 Energy: 0.5305464077832717 Energy: 0.6427429731605264 Energy: 0.5305464077828667 Energy: 0.6890844050224212 Energy: 0.6906457374103004 Energy: 0.6890844050228262 Energy: 0.6906457374103004 Energy: 0.6890844050232312 Energy: 0.6906457374103004 Energy: 0.5958865890655747 Energy: 0.7159457328762694 Energy: 0.5958865890696249 Energy: 0.7159457328762694 Energy: 0.5958865890671947 Energy: 0.7159457328762694 Energy: 0.6274706851676644 Energy: 0.6276985833546374 Energy: 0.6274706851652341 Energy: 0.6276985833546374 Energy: 0.6274706851676644 Energy: 0.6276985833546374 Energy: 0.7448675659593058 Energy: 0.6304373570620988 Energy: 0.7448675659589008 Energy: 0.6304373570625037 Energy: 0.7448675659576857 Energy: 0.6304373570620988 Energy: 0.6679823017888756 Energy: 0.7064032090322886 Energy: 0.6679823017876605 Energy: 0.7064032090330986 Energy: 0.6679823017888756 Energy: 0.7064032090326936 Energy: 0.5421535115046909 Energy: 0.6829963440720694 Energy: 0.5421535115026658 Energy: 0.6829963440720694 Energy: 0.542153511505906 Energy: 0.6829963440720694 Energy: 0.6168483208693956 Energy: 0.5673525139293304 Energy: 0.6168483208698006 Energy: 0.5673525139297354 Energy: 0.6168483208698006 Energy: 0.5673525139297354 Energy: 0.664122814535044 Energy: 0.6880899199354016 Energy: 0.664122814535449 Energy: 0.6880899199354016 Energy: 0.6641228145326137 Energy: 0.6880899199354016 Energy: 0.5744802622914837 Energy: 0.6710239332459719 Energy: 0.5744802622906737 Energy: 0.671023933246782 Energy: 0.5744802622906737 Energy: 0.671023933246377 Energy: 0.5988916980552497 Energy: 0.5345104209579916 Energy: 0.5988916980560598 Energy: 0.5345104209559665 Energy: 0.5988916980556548 Energy: 0.5345104209575866 Energy: 0.5743715685157006 Energy: 0.6706991310924314 Energy: 0.5743715685140804 Energy: 0.6706991310928364 Energy: 0.5743715685157006 Energy: 0.6706991310928364 Energy: 0.6640965858288858 Energy: 0.6880917158485669 Energy: 0.664096585830506 Energy: 0.688091715848972 Energy: 0.6640965858284807 Energy: 0.6880917158485669 Energy: 0.61742976637503 Energy: 0.5669924790984777 Energy: 0.61742976637665 Energy: 0.5669924790988827 Energy: 0.617429766375435 Energy: 0.5669924790984777 Energy: 0.5417818940677379 Energy: 0.7095655083330855 Energy: 0.5417818940661178 Energy: 0.7095655083322755 Energy: 0.5417818940665228 Energy: 0.7095655083326805 Energy: 0.6681735699132336 Energy: 0.7066020634916591 Energy: 0.6681735699140435 Energy: 0.7066020634920641 Energy: 0.6681735699124235 Energy: 0.7066020634920641 Energy: 0.7448447838941258 Energy: 0.6302560004900376 Energy: 0.7448447838929109 Energy: 0.6302560004896326 Energy: 0.7448447838953409 Energy: 0.6302560004900376 Energy: 0.6277825147458682 Energy: 0.6279435414170789 Energy: 0.6277825147466783 Energy: 0.6279435414170789 Energy: 0.6277825147450581 Energy: 0.6279435414170789 Energy: 0.5956486168335566 Energy: 0.7143497799734522 Energy: 0.5956486168315315 Energy: 0.7143497799738572 Energy: 0.5956486168319365 Energy: 0.7143497799738572 Energy: 0.6891029993460281 Energy: 0.690685204198123 Energy: 0.6891029993456232 Energy: 0.690685204198123 Energy: 0.6891029993448131 Energy: 0.690685204198123 Energy: 0.6427004186977698 Energy: 0.5305183484186996 Energy: 0.6427004186973647 Energy: 0.5305183484183316 Energy: 0.6427004186973647 Energy: 0.5305183484186996 Energy: 0.579181108070856 Energy: 0.6957580711577632 Energy: 0.579181108071666 Energy: 0.6957580711585734 Energy: 0.579181108072071 Energy: 0.6957580711581683 Energy: 0.6991447992064319 Energy: 0.7049581054101149 Energy: 0.6991447992064319 Energy: 0.7049581054101149 Energy: 0.699144799208052 Energy: 0.7049581054101149 Energy: 0.6706235359253077 Energy: 0.5619380861343257 Energy: 0.6706235359224725 Energy: 0.5619380861343257 Energy: 0.6706235359257128 Energy: 0.5619380861351357 Energy: 0.5740837026076806 Energy: 0.5643278927093079 Energy: 0.5740837026056553 Energy: 0.5643278927093079 Energy: 0.5740837026084906 Energy: 0.5643278927093079 Energy: 0.6471779617736455 Energy: 0.6386522195674372 Energy: 0.6471779617732406 Energy: 0.6386522195674372 Energy: 0.6471779617728355 Energy: 0.6386522195678421 Energy: 0.6801608502474757 Energy: 0.6200593373557538 Energy: 0.680160850249906 Energy: 0.6200593373500832 Energy: 0.680160850250716 Energy: 0.6200593373508932 Energy: 0.5938824394498502 Energy: 0.6002682795474412 Energy: 0.5938824394510653 Energy: 0.6002682795470362 Energy: 0.5938824394526855 Energy: 0.6002682795498715 Energy: 0.65370950265274 Energy: 0.5562609197795779 Energy: 0.653709502652335 Energy: 0.5562609197820081 Energy: 0.653709502652335 Energy: 0.5562609197803879 Energy: 0.7315274475414434 Energy: 0.5860584090989163 Energy: 0.7315274475386082 Energy: 0.5860584091001313 Energy: 0.7315274475414434 Energy: 0.5860584090989163 Energy: 0.655257293038707 Energy: 0.5616845402636593 Energy: 0.655257293039922 Energy: 0.5616845402628493 Energy: 0.655257293038707 Energy: 0.5616845402636593 Energy: 0.5935436725709401 Energy: 0.6001834093391287 Energy: 0.5935436725681049 Energy: 0.6001834093387237 Energy: 0.5935436725705351 Energy: 0.6001834093391287 Energy: 0.6802555250679387 Energy: 0.5672721275918594 Energy: 0.6802555250663187 Energy: 0.5672721275910494 Energy: 0.6802555250671287 Energy: 0.5672721275926695 Energy: 0.6476731364374901 Energy: 0.6391210454560046 Energy: 0.6476731364374901 Energy: 0.6391210454555996 Energy: 0.64767313643587 Energy: 0.6391210454560046 minimum gb energy = 0.5305183484183316 eV minimum distance = 2.34321591102581 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6997650860258736 Energy: 0.6642620290915727 Energy: 0.6997650860278521 Energy: 0.6642620290909133 Energy: 0.6997650860245547 Energy: 0.6642620290909133 Energy: 0.5997831147827941 Energy: 0.5768645392875804 Energy: 0.5997831147814752 Energy: 0.5768645392882399 Energy: 0.5997831147821346 Energy: 0.5768645392875804 Energy: 0.5648126412568616 Energy: 0.5742267486874592 Energy: 0.5648126412562021 Energy: 0.5742267486867997 Energy: 0.5648126412555426 Energy: 0.5742267486874592 Energy: 0.6559689957605312 Energy: 0.5522178371169408 Energy: 0.6559689957585527 Energy: 0.5522178371162814 Energy: 0.6559689957598718 Energy: 0.5522178371162814 Energy: 0.601270034123753 Energy: 0.5917303216565915 Energy: 0.601270034123753 Energy: 0.5917303216579104 Energy: 0.6012700341250721 Energy: 0.5917303216572509 Energy: 0.5426071921837565 Energy: 0.5335320233381282 Energy: 0.542607192184416 Energy: 0.5335320233381282 Energy: 0.5426071921850755 Energy: 0.5335320233381282 Energy: 0.6421787186936685 Energy: 0.540618330355268 Energy: 0.642178718693009 Energy: 0.540618330355268 Energy: 0.642178718694328 Energy: 0.5406183303546085 Energy: 0.650204780299289 Energy: 0.6433539760264416 Energy: 0.6502047802979699 Energy: 0.6433539760264416 Energy: 0.650204780299289 Energy: 0.6433539760264416 Energy: 0.5154155669298057 Energy: 0.5371395087650099 Energy: 0.5154155669311247 Energy: 0.5371395087643505 Energy: 0.5154155669304652 Energy: 0.5371395087643505 Energy: 0.6161784232424163 Energy: 0.5281170990163928 Energy: 0.6161784232443949 Energy: 0.5281170990163928 Energy: 0.6161784232430758 Energy: 0.5281170990163928 Energy: 0.6416153466748779 Energy: 0.6541856773793525 Energy: 0.6416153466742184 Energy: 0.6541856773793525 Energy: 0.6416153466742184 Energy: 0.6541856773793525 Energy: 0.5308299758321727 Energy: 0.6444126358479896 Energy: 0.5308299758308538 Energy: 0.6444126358479896 Energy: 0.5308299758315131 Energy: 0.6444126358479896 Energy: 0.6065942009093526 Energy: 0.5678630787739712 Energy: 0.6065942009093526 Energy: 0.5678630787739712 Energy: 0.6065942009106715 Energy: 0.5678630787739712 Energy: 0.6531743384302936 Energy: 0.6242962308217815 Energy: 0.6531743384302936 Energy: 0.624296230822441 Energy: 0.6531743384322721 Energy: 0.6242962308231005 Energy: 0.5642621689019522 Energy: 0.6846007794631572 Energy: 0.5642621689006334 Energy: 0.6846007794624978 Energy: 0.5642621689012928 Energy: 0.6846007794624978 Energy: 0.5482017839823037 Energy: 0.592726341428627 Energy: 0.5482017839823037 Energy: 0.5927263414292866 Energy: 0.5482017839823037 Energy: 0.5927263414292866 Energy: 0.6361093816962482 Energy: 0.5990275462579465 Energy: 0.6361093817002051 Energy: 0.5990275462579465 Energy: 0.6361093817015241 Energy: 0.5990275462579465 Energy: 0.6305461762793468 Energy: 0.6801179923649568 Energy: 0.6305461762793468 Energy: 0.6801179923642974 Energy: 0.6305461762800063 Energy: 0.6801179923649568 Energy: 0.5306646493849674 Energy: 0.636285479471933 Energy: 0.5306646493849674 Energy: 0.636285479471933 Energy: 0.5306646493836483 Energy: 0.636285479471933 Energy: 0.5201773180643354 Energy: 0.5414614185152504 Energy: 0.5201773180630164 Energy: 0.5414614185152504 Energy: 0.5201773180636758 Energy: 0.5414614185152504 Energy: 0.6199077971049805 Energy: 0.6502795895074756 Energy: 0.6199077971036614 Energy: 0.6502795895074756 Energy: 0.6199077971049805 Energy: 0.6502795895074756 Energy: 0.525526216097816 Energy: 0.6395905582635187 Energy: 0.5255262160971566 Energy: 0.6395905582635187 Energy: 0.5255262160971566 Energy: 0.6395905582628592 Energy: 0.5785883953357889 Energy: 0.5281777385406194 Energy: 0.5785883953357889 Energy: 0.5281777385406194 Energy: 0.5785883953357889 Energy: 0.52817773853996 Energy: 0.5461950719797926 Energy: 0.6550844398904537 Energy: 0.5461950719791331 Energy: 0.6550844398904537 Energy: 0.5461950719784736 Energy: 0.6550844398911133 Energy: 0.6060017976901304 Energy: 0.6528243510295645 Energy: 0.6060017976907899 Energy: 0.6528243510295645 Energy: 0.6060017976901304 Energy: 0.6528243510295645 Energy: 0.5608027735238446 Energy: 0.5282728862915752 Energy: 0.5608027735212067 Energy: 0.5282728862915752 Energy: 0.5608027735225256 Energy: 0.5282728862915752 Energy: 0.5210628889085546 Energy: 0.6405297253719872 Energy: 0.5210628889105329 Energy: 0.6405297253726466 Energy: 0.5210628889092139 Energy: 0.6405297253719872 minimum gb energy = 0.5154155669298057 eV minimum distance = 2.32782917328896 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.6664486401237589 Energy: 0.5967299789231267 Energy: 0.6664486401242393 Energy: 0.5967299789231267 Energy: 0.6664486401237589 Energy: 0.5967299789231267 Energy: 0.5312995305562372 Energy: 0.5445229869171246 Energy: 0.5312995305567177 Energy: 0.5445229869166441 Energy: 0.5312995305567177 Energy: 0.5445229869166441 Energy: 0.496484729305954 Energy: 0.5427157968414268 Energy: 0.496484729305954 Energy: 0.5427157968423878 Energy: 0.496484729305954 Energy: 0.5427157968419073 Energy: 0.6186348713260678 Energy: 0.48134964525087276 Energy: 0.6186348713265484 Energy: 0.48134964525087276 Energy: 0.6186348713260678 Energy: 0.48134964525087276 Energy: 0.5303893734954176 Energy: 0.49541034430865144 Energy: 0.5303893734944566 Energy: 0.49541034430769043 Energy: 0.530389373494937 Energy: 0.49541034430721 Energy: 0.4727538932836512 Energy: 0.49515737460951775 Energy: 0.4727538932822096 Energy: 0.49515737461095927 Energy: 0.47275389328317063 Energy: 0.49515737460903725 Energy: 0.5868298057660509 Energy: 0.47333356700347423 Energy: 0.5868298057665314 Energy: 0.4733335670044353 Energy: 0.5868298057655703 Energy: 0.47333356700395474 Energy: 0.532133966009543 Energy: 0.579137570430205 Energy: 0.5321339660076209 Energy: 0.579137570430205 Energy: 0.5321339660109846 Energy: 0.5791375704297244 Energy: 0.4555308354990272 Energy: 0.5399398686624459 Energy: 0.45553083549854667 Energy: 0.5399398686638875 Energy: 0.45553083549854667 Energy: 0.5399398686624459 Energy: 0.5889937622155957 Energy: 0.45849329185434656 Energy: 0.5889937622155957 Energy: 0.45849329185386606 Energy: 0.5889937622160761 Energy: 0.45849329185386606 Energy: 0.5703624458082039 Energy: 0.5732571210215849 Energy: 0.570362445809165 Energy: 0.5732571210215849 Energy: 0.5703624458086844 Energy: 0.5732571210215849 Energy: 0.4469898913833057 Energy: 0.5443414001557011 Energy: 0.4469898913823448 Energy: 0.5443414001557011 Energy: 0.44698989138378625 Energy: 0.5443414001552206 Energy: 0.5480367721543286 Energy: 0.43989124997017226 Energy: 0.548036772153848 Energy: 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0.5334945493712764 Energy: 0.4984257137707476 Energy: 0.614599140870014 Energy: 0.5206943051451443 Energy: 0.614599140870975 Energy: 0.5206943051451443 Energy: 0.6145991408695334 Energy: 0.5206943051451443 Energy: 0.49478581410611927 Energy: 0.637315357874547 Energy: 0.49478581410708034 Energy: 0.637315357874547 Energy: 0.4947858141051583 Energy: 0.6373153578740665 Energy: 0.5194052336181535 Energy: 0.5286142770409742 Energy: 0.5194052336191145 Energy: 0.5286142770414547 Energy: 0.5194052336181535 Energy: 0.5286142770409742 Energy: 0.5091336184168814 Energy: 0.5255352288709645 Energy: 0.5091336184183229 Energy: 0.5255352288709645 Energy: 0.5091336184173619 Energy: 0.5255352288709645 Energy: 0.5513508909524985 Energy: 0.6356016034283709 Energy: 0.5513508909524985 Energy: 0.6356016034283709 Energy: 0.5513508909539401 Energy: 0.6356016034283709 Energy: 0.5140359447735809 Energy: 0.52236332170502 Energy: 0.514035944774542 Energy: 0.52236332170502 Energy: 0.5140359447750225 Energy: 0.5223633217045395 Energy: 0.49327292659629757 Energy: 0.47897225708671154 Energy: 0.4932729265972586 Energy: 0.47897225708719204 Energy: 0.493272926597739 Energy: 0.47897225708719204 Energy: 0.5272653945403211 Energy: 0.5927270756443291 Energy: 0.5272653945412822 Energy: 0.5927270756448098 Energy: 0.5272653945408017 Energy: 0.5927270756443291 Energy: 0.5079254526207433 Energy: 0.5107236566986797 Energy: 0.5079254526212237 Energy: 0.5107236566986797 Energy: 0.5079254526212237 Energy: 0.5107236566986797 Energy: 0.5151216448651873 Energy: 0.45332615246258995 Energy: 0.5151216448647068 Energy: 0.4533261524630705 Energy: 0.5151216448666288 Energy: 0.4533261524630705 Energy: 0.45400378118535084 Energy: 0.5658256726817558 Energy: 0.4540037811829484 Energy: 0.5658256726817558 Energy: 0.4540037811848704 Energy: 0.5658256726817558 Energy: 0.5671295324791733 Energy: 0.5572423904053123 Energy: 0.5543559502901907 Energy: 0.5572423904057928 Energy: 0.5671295324796538 Energy: 0.5572423904048318 Energy: 0.48829135268504786 Energy: 0.4437915948254301 Energy: 0.4882913526840869 Energy: 0.4437915948254301 Energy: 0.48829135268504786 Energy: 0.44379159482494973 Energy: 0.4443598131939074 Energy: 0.5697085497725833 Energy: 0.4443598131953489 Energy: 0.5697085497725833 Energy: 0.44435981319438783 Energy: 0.5697085497725833 Energy: 0.5683017961633196 Energy: 0.5712660037851774 Energy: 0.5683017961633196 Energy: 0.5712660037851774 Energy: 0.5683017961633196 Energy: 0.5712660037856581 Energy: 0.5097417877179593 Energy: 0.43739609537562396 Energy: 0.5097417877174787 Energy: 0.43739609537562396 Energy: 0.5097417877174787 Energy: 0.43739609537562396 Energy: 0.4284947108819547 Energy: 0.520815733898906 Energy: 0.4284947108819547 Energy: 0.520815733898906 Energy: 0.4284947108809937 Energy: 0.5208157338984255 minimum gb energy = 0.4284947108809937 eV minimum distance = 2.31629361769243 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.20560088733889043 Energy: 0.03801514909478103 Energy: 0.20560088733712492 Energy: 0.03801514909478103 Energy: 0.20560088733889043 Energy: 0.038015149096546526 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.20560088733889043 Energy: 0.03801514909478103 Energy: 0.20560088733889043 Energy: 0.03801514909478103 Energy: 0.20560088733712492 Energy: 0.03801514909478103 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.2055858210766526 Energy: 0.03778333819812497 Energy: 0.20560088733889043 Energy: 0.03801514909478103 Energy: 0.20560088733889043 Energy: 0.038015149096546526 Energy: 0.20560088733889043 Energy: 0.038015149096546526 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 Energy: 0.03691217150421764 Energy: 0.06729701526555854 minimum gb energy = 0.03691217150421764 eV minimum distance = 2.53489113971913 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.6088115911877504 Energy: 0.47517538480819693 Energy: 0.6088115911866937 Energy: 0.4751753848076685 Energy: 0.608811591187222 Energy: 0.47517538480819693 Energy: 0.4939492340649837 Energy: 0.5167254722777072 Energy: 0.49394923406604035 Energy: 0.5167254722777072 Energy: 0.49394923406604035 Energy: 0.5167254722777072 Energy: 0.5013754980235207 Energy: 0.5176388801659623 Energy: 0.5013754980229922 Energy: 0.5176388801654339 Energy: 0.5013754980229922 Energy: 0.5176388801659623 Energy: 0.5579825273489799 Energy: 0.49224529215643403 Energy: 0.5579825273489799 Energy: 0.4922452921559058 Energy: 0.5579825273495084 Energy: 0.4922452921559058 Energy: 0.4911913234344829 Energy: 0.528391503388985 Energy: 0.49119132343553956 Energy: 0.5283915033895132 Energy: 0.49119132343553956 Energy: 0.528391503388985 Energy: 0.4984363402601425 Energy: 0.5174200367082381 Energy: 0.4984363402601425 Energy: 0.5174200367087665 Energy: 0.4984363402601425 Energy: 0.5174200367087665 Energy: 0.5253581577938268 Energy: 0.4834320568166114 Energy: 0.525358157794355 Energy: 0.4834320568166114 Energy: 0.5253581577932984 Energy: 0.4834320568160831 Energy: 0.4335725729856929 Energy: 0.5336313105798236 Energy: 0.43357257298674956 Energy: 0.5336313105798236 Energy: 0.4335725729856929 Energy: 0.5336313105798236 Energy: 0.49880131996761057 Energy: 0.5128890051384106 Energy: 0.49880131996813887 Energy: 0.5128890051384106 Energy: 0.4988013199697239 Energy: 0.5128890051384106 Energy: 0.5150732148143756 Energy: 0.4433056339656468 Energy: 0.5150732148154081 Energy: 0.4433056339656468 Energy: 0.5150732148148799 Energy: 0.4433056339656468 Energy: 0.4512572952731865 Energy: 0.5386515569376048 Energy: 0.4512572952737148 Energy: 0.5386515569376048 Energy: 0.45125729527265807 Energy: 0.5386515569370764 Energy: 0.5171272176570654 Energy: 0.5204522822689958 Energy: 0.517127217656537 Energy: 0.5204522822689958 Energy: 0.5171272176570654 Energy: 0.5204522822689958 Energy: 0.5380205841872548 Energy: 0.42660291131268796 Energy: 0.5380205841867265 Energy: 0.42660291131268796 Energy: 0.5380205841872548 Energy: 0.42660291131268796 Energy: 0.4547401049700186 Energy: 0.5180723206236783 Energy: 0.4547401049694903 Energy: 0.5180723206236783 Energy: 0.4547401049705469 Energy: 0.5180723206231499 Energy: 0.5040375698891829 Energy: 0.5296771549042403 Energy: 0.5040375698881262 Energy: 0.5296771549042403 Energy: 0.5040375698886546 Energy: 0.5296771549042403 Energy: 0.5380433573908068 Energy: 0.487649927101222 Energy: 0.5380433573913351 Energy: 0.487649927101222 Energy: 0.5380433573908068 Energy: 0.487649927101222 Energy: 0.4877130514531863 Energy: 0.5416420947129481 Energy: 0.4877130514531863 Energy: 0.5416420947129481 Energy: 0.48771305145212956 Energy: 0.5416420947129481 Energy: 0.4878720540175688 Energy: 0.5071182982856081 Energy: 0.4878720540180971 Energy: 0.5071182982861363 Energy: 0.4878720540186255 Energy: 0.5071182982856081 Energy: 0.5161110482716338 Energy: 0.4817286894485627 Energy: 0.5161110482700487 Energy: 0.4817286894485627 Energy: 0.5161110482721621 Energy: 0.4817286894485627 Energy: 0.5053242177997171 Energy: 0.5839504974029919 Energy: 0.5053242177997171 Energy: 0.5839504974029919 Energy: 0.5053242177991888 Energy: 0.5839504974029919 Energy: 0.513615311867034 Energy: 0.49471996722279526 Energy: 0.5136153118675623 Energy: 0.49471996722332356 Energy: 0.513615311867034 Energy: 0.49471996722332356 Energy: 0.5348711389094423 Energy: 0.5055756802811263 Energy: 0.5348711389099705 Energy: 0.5055756802811263 Energy: 0.5348711389089139 Energy: 0.5055756802811263 Energy: 0.5120192990253152 Energy: 0.5256126738067428 Energy: 0.5120192990258434 Energy: 0.5256126738051577 Energy: 0.5120192990242585 Energy: 0.5256126738051577 Energy: 0.5022050338417496 Energy: 0.47395177007657685 Energy: 0.5022050338422781 Energy: 0.47395177007657685 Energy: 0.5022050338422781 Energy: 0.4739517700760485 Energy: 0.5313961343889839 Energy: 0.4996621027013627 Energy: 0.5313961343884556 Energy: 0.4996621027013627 Energy: 0.5313961343884556 Energy: 0.4996621027013627 Energy: 0.4684793303256894 Energy: 0.5104294818634831 Energy: 0.4684793303246328 Energy: 0.5104294818634831 Energy: 0.4684793303251611 Energy: 0.5104294818640115 Energy: 0.5116714747615666 Energy: 0.49876120513530303 Energy: 0.5116714747694916 Energy: 0.4987612051347747 Energy: 0.5116714747721333 Energy: 0.49876120513530303 Energy: 0.5051636620282896 Energy: 0.5079932564671932 Energy: 0.5051636620293463 Energy: 0.5079932564666648 Energy: 0.5051636620282896 Energy: 0.5079932564661365 Energy: 0.4447037210313517 Energy: 0.5297570964842937 Energy: 0.4447037210308234 Energy: 0.5297570964837653 Energy: 0.4447037210313517 Energy: 0.5297570964837653 Energy: 0.5537043566076173 Energy: 0.45921418375069334 Energy: 0.5537043566081457 Energy: 0.45921418375016504 Energy: 0.5537043566076173 Energy: 0.45921418375069334 Energy: 0.5286500350512886 Energy: 0.5038146896396813 Energy: 0.528650035051817 Energy: 0.5038146896402097 Energy: 0.5286500350512886 Energy: 0.5038146896396813 Energy: 0.4354862639612259 Energy: 0.5292023137803163 Energy: 0.4354862639612259 Energy: 0.5292023137803163 Energy: 0.4354862639606975 Energy: 0.5292023137803163 Energy: 0.5116100833891358 Energy: 0.4804323065607375 Energy: 0.5116100833901925 Energy: 0.4804323065607375 Energy: 0.5116100833896642 Energy: 0.4804323065607375 minimum gb energy = 0.42660291131268796 eV minimum distance = 2.39215467237082 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.6583486510655163 Energy: 0.5896719734979725 Energy: 0.6583486510647635 Energy: 0.5896719734972198 Energy: 0.6583486510655163 Energy: 0.5896719734979725 Energy: 0.5781533092492 Energy: 0.6149746667447639 Energy: 0.5781533092492 Energy: 0.6149746667447639 Energy: 0.5781533092492 Energy: 0.6149746667447639 Energy: 0.6095497112794447 Energy: 0.6177843594485981 Energy: 0.6095497112809505 Energy: 0.6177843594485981 Energy: 0.6095497112817032 Energy: 0.6177843594485981 Energy: 0.6179102877371344 Energy: 0.5706563848108193 Energy: 0.6179102877371344 Energy: 0.5706563848108193 Energy: 0.6179102877378873 Energy: 0.5706563848108193 Energy: 0.5115037297402169 Energy: 0.5667798821531317 Energy: 0.5115037297409697 Energy: 0.5667798821531317 Energy: 0.5115037297394641 Energy: 0.5667798821531317 Energy: 0.6188340013384432 Energy: 0.6069633558409144 Energy: 0.6188340013384432 Energy: 0.6069633558409144 Energy: 0.6188340013391962 Energy: 0.6069633558409144 Energy: 0.6117557542417178 Energy: 0.5474107119703642 Energy: 0.6117557542409651 Energy: 0.5474107119703642 Energy: 0.6117557542417178 Energy: 0.547410711971117 Energy: 0.5613165051479437 Energy: 0.5630915745285058 Energy: 0.5613165051479437 Energy: 0.5630915745285058 Energy: 0.5613165051479437 Energy: 0.5630915745285058 Energy: 0.6215657691090467 Energy: 0.6264710580948389 Energy: 0.6215657691090467 Energy: 0.6264710580948389 Energy: 0.6215657691097994 Energy: 0.6264710580948389 Energy: 0.6097354660092731 Energy: 0.5250578172803038 Energy: 0.6097354660092731 Energy: 0.5250578172810565 Energy: 0.6097354660092731 Energy: 0.5250578172803038 Energy: 0.578969171807953 Energy: 0.5997874309419473 Energy: 0.5789691718072003 Energy: 0.5997874309419473 Energy: 0.578969171807953 Energy: 0.5997874309419473 Energy: 0.5969835758135256 Energy: 0.6017720014440506 Energy: 0.5969835758135256 Energy: 0.6017720014440506 Energy: 0.5969835758135256 Energy: 0.6017720014432977 Energy: 0.5977357854969025 Energy: 0.5656221139763586 Energy: 0.5977357854969025 Energy: 0.5656221139763586 Energy: 0.5977357854969025 Energy: 0.5656221139763586 Energy: 0.602930373467057 Energy: 0.6298598525864739 Energy: 0.602930373467057 Energy: 0.6298598525864739 Energy: 0.6029303734678098 Energy: 0.6298598525864739 Energy: 0.5853419270427901 Energy: 0.5748458445508836 Energy: 0.5853419270442958 Energy: 0.5748458445516365 Energy: 0.5853419270420372 Energy: 0.5748458445508836 Energy: 0.6540663281199249 Energy: 0.5961111512744051 Energy: 0.6540663281199249 Energy: 0.5961111512744051 Energy: 0.6540663281191722 Energy: 0.5961111512744051 Energy: 0.589174171613671 Energy: 0.6377558654203148 Energy: 0.589174171613671 Energy: 0.6377558654203148 Energy: 0.5891741716151766 Energy: 0.6377558654203148 Energy: 0.6067608332805697 Energy: 0.5686418518676788 Energy: 0.606760833279817 Energy: 0.5686418518676788 Energy: 0.606760833279817 Energy: 0.5686418518676788 Energy: 0.622399534754091 Energy: 0.6198294433851038 Energy: 0.622399534754091 Energy: 0.6198294433858567 Energy: 0.6223995347533383 Energy: 0.6198294433851038 Energy: 0.5949605952909751 Energy: 0.6263109002221382 Energy: 0.5949605952917278 Energy: 0.626310900222891 Energy: 0.5949605952924807 Energy: 0.6263109002221382 Energy: 0.6350348388749162 Energy: 0.5659072497803014 Energy: 0.635034838875669 Energy: 0.5659072497803014 Energy: 0.6350348388749162 Energy: 0.5659072497803014 Energy: 0.620948803776247 Energy: 0.639598629751741 Energy: 0.6209488037769998 Energy: 0.639598629751741 Energy: 0.620948803776247 Energy: 0.639598629751741 Energy: 0.5289463750962693 Energy: 0.6442761535012576 Energy: 0.5289463750947637 Energy: 0.6442761535005048 Energy: 0.5289463750962693 Energy: 0.6442761535012576 minimum gb energy = 0.5115037297394641 eV minimum distance = 2.34333096115805 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.6979695975205226 Energy: 0.6210320000509185 Energy: 0.6979695975195674 Energy: 0.6210320000509185 Energy: 0.6979695975190899 Energy: 0.6210320000509185 Energy: 0.6253915574938098 Energy: 0.6670785883985432 Energy: 0.6253915574938098 Energy: 0.6670785883985432 Energy: 0.6253915574938098 Energy: 0.6670785883990207 Energy: 0.6928181707404223 Energy: 0.6640308266638849 Energy: 0.6928181707408998 Energy: 0.6640308266634073 Energy: 0.6928181707408998 Energy: 0.6640308266634073 Energy: 0.6696398590759147 Energy: 0.6173141639952839 Energy: 0.6696398590768698 Energy: 0.6173141639957614 Energy: 0.6696398590773474 Energy: 0.6173141639952839 Energy: 0.5965131870288134 Energy: 0.6612704680251718 Energy: 0.5965131870297685 Energy: 0.6612704680251718 Energy: 0.5965131870283359 Energy: 0.6612704680246942 Energy: 0.6973214989717879 Energy: 0.6902579776469964 Energy: 0.697321498972743 Energy: 0.690257977651772 Energy: 0.6973214989717879 Energy: 0.6902579776512945 Energy: 0.6259330572447354 Energy: 0.592824543580386 Energy: 0.6259330572456904 Energy: 0.592824543580386 Energy: 0.6259330572456904 Energy: 0.592824543580386 Energy: 0.6185660086890961 Energy: 0.6520890169085305 Energy: 0.6185660086895737 Energy: 0.6520890169085305 Energy: 0.6185660086890961 Energy: 0.6520890169085305 Energy: 0.6528311169490063 Energy: 0.6816845890626513 Energy: 0.6528311169466184 Energy: 0.6816845890631289 Energy: 0.6528311169480512 Energy: 0.6816845890626513 Energy: 0.7139146915568227 Energy: 0.6289096497042189 Energy: 0.7139146915577779 Energy: 0.6289096497032638 Energy: 0.7139146915577779 Energy: 0.6289096497037414 Energy: 0.6624825860595437 Energy: 0.6664738903814879 Energy: 0.6624825860590661 Energy: 0.6664738903814879 Energy: 0.6624825860590661 Energy: 0.6664738903814879 Energy: 0.6353824117226545 Energy: 0.62446359958685 Energy: 0.6353824117231321 Energy: 0.62446359958685 Energy: 0.6353824117226545 Energy: 0.6244635995863724 Energy: 0.7084081967670399 Energy: 0.6446196337573752 Energy: 0.7084081967675175 Energy: 0.6446196337573752 Energy: 0.7084081967665624 Energy: 0.6446196337573752 Energy: 0.6332867736513926 Energy: 0.6699038304214645 Energy: 0.6332867736513926 Energy: 0.6699038304214645 Energy: 0.6332867736518702 Energy: 0.6699038304214645 Energy: 0.6541703556240851 Energy: 0.6463853485086216 Energy: 0.6541703556216973 Energy: 0.6463853485086216 Energy: 0.6541703556221748 Energy: 0.6463853485086216 Energy: 0.669414327401123 Energy: 0.6748596747141333 Energy: 0.6694143274001678 Energy: 0.6748596747141333 Energy: 0.6694143274006454 Energy: 0.6748596747141333 Energy: 0.5774282640857441 Energy: 0.6734282746677253 Energy: 0.5774282640847891 Energy: 0.6734282746677253 Energy: 0.5774282640862217 Energy: 0.6734282746672476 Energy: 0.7092456249069691 Energy: 0.693355834221246 Energy: 0.7092456249064915 Energy: 0.693355834221246 Energy: 0.7092456249074467 Energy: 0.693355834221246 Energy: 0.6260956353904277 Energy: 0.6401795247241558 Energy: 0.6260956353894724 Energy: 0.6401795247246335 Energy: 0.6260956353899501 Energy: 0.6401795247241558 Energy: 0.6182431309885009 Energy: 0.6641331377178233 Energy: 0.6182431309885009 Energy: 0.6641331377178233 Energy: 0.6182431309889785 Energy: 0.6641331377178233 Energy: 0.662259301971836 Energy: 0.6794620694567537 Energy: 0.6622593019699258 Energy: 0.6794620694567537 Energy: 0.6622593019699258 Energy: 0.6794620694572313 Energy: 0.6528698531371334 Energy: 0.5642696833684648 Energy: 0.6528698531357006 Energy: 0.5642696833684648 Energy: 0.652869853138566 Energy: 0.5642696833684648 Energy: 0.643193417685862 Energy: 0.6665257051254176 Energy: 0.6431934176863395 Energy: 0.6665257051258953 Energy: 0.6431934176849069 Energy: 0.6665257051254176 Energy: 0.7069271129384587 Energy: 0.6310438618147752 Energy: 0.7069271129370258 Energy: 0.6310438618142977 Energy: 0.7069271129384587 Energy: 0.6310438618147752 Energy: 0.6241019059402577 Energy: 0.6197106410703407 Energy: 0.6241019059407353 Energy: 0.6197106410708183 Energy: 0.6241019059412128 Energy: 0.6197106410708183 Energy: 0.6400120815195651 Energy: 0.6611914242725688 Energy: 0.6400120815190875 Energy: 0.6611914242720912 Energy: 0.6400120815190875 Energy: 0.6611914242720912 Energy: 0.6249031451685186 Energy: 0.6068154170675594 Energy: 0.6249031451689963 Energy: 0.6068154170675594 Energy: 0.6249031451685186 Energy: 0.6068154170680369 Energy: 0.6728776367145823 Energy: 0.6826780157499899 Energy: 0.6728776367131496 Energy: 0.6826780157499899 Energy: 0.6728776367136272 Energy: 0.6826780157499899 Energy: 0.6208519011111343 Energy: 0.6607502409246737 Energy: 0.6208519011106568 Energy: 0.6607502409246737 Energy: 0.6208519011116119 Energy: 0.6607502409241961 Energy: 0.6292455947106375 Energy: 0.596528435714535 Energy: 0.6292455947092047 Energy: 0.596528435714535 Energy: 0.62924559471016 Energy: 0.5965284357140574 Energy: 0.6905801639096918 Energy: 0.6970338732823749 Energy: 0.6905801639111244 Energy: 0.6970338732823749 Energy: 0.6905801639101693 Energy: 0.6970338732818973 Energy: 0.5952272968449656 Energy: 0.6638840685897632 Energy: 0.5952272968444879 Energy: 0.6638840685902407 Energy: 0.5952272968440104 Energy: 0.6638840685902407 Energy: 0.6607915756196573 Energy: 0.6538612798047458 Energy: 0.6607915756196573 Energy: 0.6538612798052235 Energy: 0.6607915756196573 Energy: 0.6538612798052235 Energy: 0.6485077869492171 Energy: 0.6656301998518803 Energy: 0.6485077869487395 Energy: 0.6656301998518803 Energy: 0.6485077869492171 Energy: 0.6656301998518803 Energy: 0.6312533809414338 Energy: 0.6677356332232212 Energy: 0.6312533809419114 Energy: 0.6677356332232212 Energy: 0.6312533809409563 Energy: 0.6677356332236988 Energy: 0.7046392711823606 Energy: 0.6391606423181871 Energy: 0.7046392711804502 Energy: 0.6391606423181871 Energy: 0.704639271181883 Energy: 0.6391606423181871 Energy: 0.6254939553849979 Energy: 0.6509508356974554 Energy: 0.6254939553849979 Energy: 0.6509508356969778 Energy: 0.6254939553854753 Energy: 0.6509508356965003 minimum gb energy = 0.5642696833684648 eV minimum distance = 2.34377653763246 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.7304836819294112 Energy: 0.716281370839579 Energy: 0.7304836819307151 Energy: 0.716281370839579 Energy: 0.7304836819307151 Energy: 0.716281370839579 Energy: 0.7016980367329885 Energy: 0.7108726432949167 Energy: 0.7016980367329885 Energy: 0.7108726432949167 Energy: 0.7016980367329885 Energy: 0.7108726432962207 Energy: 0.7904295781510838 Energy: 0.6997589710210159 Energy: 0.7904295781510838 Energy: 0.6997589710210159 Energy: 0.7904295781510838 Energy: 0.6997589710210159 Energy: 0.7601549735958573 Energy: 0.7321473030438496 Energy: 0.7601549735958573 Energy: 0.7321473030438496 Energy: 0.7601549735958573 Energy: 0.7321473030438496 Energy: 0.6885935064671609 Energy: 0.7106179989777196 Energy: 0.688593506465857 Energy: 0.7106179989777196 Energy: 0.6885935064684648 Energy: 0.7106179989790234 Energy: 0.7661041127992088 Energy: 0.7474078062555701 Energy: 0.7661041127979049 Energy: 0.7474078062542662 Energy: 0.7661041127979049 Energy: 0.7474078062542662 Energy: 0.727750589267671 Energy: 0.6689389608710414 Energy: 0.727750589267671 Energy: 0.6689389608723454 Energy: 0.727750589267671 Energy: 0.6689389608723454 Energy: 0.7472999526564447 Energy: 0.7044787227190703 Energy: 0.7472999526564447 Energy: 0.7044787227190703 Energy: 0.7472999526564447 Energy: 0.7044787227190703 Energy: 0.7059654828744837 Energy: 0.6872884524348327 Energy: 0.7059654828731797 Energy: 0.6872884524348327 Energy: 0.7059654828731797 Energy: 0.6872884524348327 Energy: 0.7318179665513193 Energy: 0.7156116304500577 Energy: 0.7318179665526232 Energy: 0.7156116304500577 Energy: 0.7318179665526232 Energy: 0.7156116304500577 Energy: 0.7033697934189406 Energy: 0.6995505055213838 Energy: 0.7033697934176366 Energy: 0.6995505055213838 Energy: 0.7033697934176366 Energy: 0.6995505055213838 Energy: 0.7318069076030329 Energy: 0.7099936347164278 Energy: 0.7318069076043368 Energy: 0.7099936347164278 Energy: 0.7318069076030329 Energy: 0.7099936347164278 Energy: 0.76269334837488 Energy: 0.7398670361437735 Energy: 0.76269334837488 Energy: 0.7398670361424696 Energy: 0.76269334837488 Energy: 0.7398670361437735 Energy: 0.6835958150571171 Energy: 0.6977575092828471 Energy: 0.6835958150571171 Energy: 0.6977575092828471 Energy: 0.6835958150558131 Energy: 0.6977575092828471 minimum gb energy = 0.6689389608710414 eV minimum distance = 2.3369134169033 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.810427366092667 Energy: 0.8041968224190368 Energy: 0.8104273660915214 Energy: 0.8041968224190368 Energy: 0.810427366092667 Energy: 0.8041968224190368 Energy: 0.7393039001047975 Energy: 0.7812815712582353 Energy: 0.7393039001042248 Energy: 0.7812815712582353 Energy: 0.7393039001053703 Energy: 0.7812815712582353 Energy: 0.80510577060629 Energy: 0.7451771481328173 Energy: 0.8051057706057172 Energy: 0.7451771481328173 Energy: 0.8051057706057172 Energy: 0.7451771481328173 Energy: 0.7704854640235246 Energy: 0.7293013798356577 Energy: 0.7704854640240973 Energy: 0.7293013798356577 Energy: 0.7704854640235246 Energy: 0.7293013798356577 Energy: 0.8009064507167606 Energy: 0.7573222765841934 Energy: 0.8009064507167606 Energy: 0.7573222765841934 Energy: 0.8009064507167606 Energy: 0.7573222765841934 Energy: 0.762013004711514 Energy: 0.8090084855685106 Energy: 0.7620130047109411 Energy: 0.8090084855685106 Energy: 0.7620130047109411 Energy: 0.8090084855685106 Energy: 0.7721316517179019 Energy: 0.7739222752715236 Energy: 0.7721316517179019 Energy: 0.7739222752715236 Energy: 0.7721316517190475 Energy: 0.7739222752715236 Energy: 0.7519171325306503 Energy: 0.8012293141549638 Energy: 0.7519171325317959 Energy: 0.8012293141549638 Energy: 0.751917132531223 Energy: 0.8012293141549638 Energy: 0.7540300961766956 Energy: 0.7770003439024239 Energy: 0.7540300961778412 Energy: 0.777000343901851 Energy: 0.7540300961766956 Energy: 0.777000343901851 Energy: 0.753393499531943 Energy: 0.7817886389494525 Energy: 0.7533934995325158 Energy: 0.7817886389494525 Energy: 0.7533934995313702 Energy: 0.7817886389494525 Energy: 0.7298715297312418 Energy: 0.769799490772791 Energy: 0.7298715297312418 Energy: 0.769799490772791 Energy: 0.729871529730669 Energy: 0.769799490772791 Energy: 0.775830322275762 Energy: 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0.7784652742681707 Energy: 0.7705555050816116 Energy: 0.7784652742675979 Energy: 0.7599262797151017 Energy: 0.7651557861808528 Energy: 0.759926279714529 Energy: 0.7651557861808528 Energy: 0.759926279714529 Energy: 0.7651557861808528 Energy: 0.7471422074135031 Energy: 0.7564933087258322 Energy: 0.7471422074140759 Energy: 0.7564933087258322 Energy: 0.7471422074146487 Energy: 0.7564933087258322 Energy: 0.7617013017318889 Energy: 0.7938762386330636 Energy: 0.7617013017318889 Energy: 0.7938762386330636 Energy: 0.7617013017318889 Energy: 0.7938762386330636 Energy: 0.7963352734185104 Energy: 0.7544027335655104 Energy: 0.7963352734179376 Energy: 0.7544027335655104 Energy: 0.7963352734185104 Energy: 0.7544027335660831 Energy: 0.7722147247700066 Energy: 0.7602212467442971 Energy: 0.7722147247700066 Energy: 0.7602212467442971 Energy: 0.7722147247705795 Energy: 0.7602212467442971 Energy: 0.7718170034815025 Energy: 0.7419827038146507 Energy: 0.771817003482648 Energy: 0.7419827038146507 Energy: 0.7718170034815025 Energy: 0.7419827038146507 Energy: 0.7554780590519233 Energy: 0.8104356082246568 Energy: 0.7554780590519233 Energy: 0.8104356082246568 Energy: 0.7554780590519233 Energy: 0.8104356082246568 minimum gb energy = 0.7269035223989285 eV minimum distance = 2.33012022794689 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.6936506806876874 Energy: 0.7096639055558179 Energy: 0.693650680686668 Energy: 0.7096639055558179 Energy: 0.693650680686668 Energy: 0.7096639055558179 Energy: 0.7482715188650719 Energy: 0.7132688703700673 Energy: 0.7482715188650719 Energy: 0.7132688703700673 Energy: 0.7482715188660911 Energy: 0.7132688703700673 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.6831602226996087 Energy: 0.7778979130539915 Energy: 0.6831602226996087 Energy: 0.7778979130539915 Energy: 0.6831602226996087 Energy: 0.7778979130539915 Energy: 0.7690689505485453 Energy: 0.7527142966509464 Energy: 0.7690689505485453 Energy: 0.7527142966509464 Energy: 0.7690689505485453 Energy: 0.7527142966509464 Energy: 0.7482070368479034 Energy: 0.7522637022808566 Energy: 0.7482070368489228 Energy: 0.7522637022828952 Energy: 0.7482070368479034 Energy: 0.7522637022818759 Energy: 0.6936506806856488 Energy: 0.7096639055547985 Energy: 0.6936506806856488 Energy: 0.7096639055558179 Energy: 0.6936506806856488 Energy: 0.7096639055547985 Energy: 0.7482715188650719 Energy: 0.7132688703680286 Energy: 0.7482715188650719 Energy: 0.7132688703680286 Energy: 0.7482715188640525 Energy: 0.7132688703690478 Energy: 0.7686146883989317 Energy: 0.752713610502222 Energy: 0.7686146883989317 Energy: 0.752713610502222 Energy: 0.7686146883999508 Energy: 0.752713610502222 Energy: 0.683160222700628 Energy: 0.8155219317077782 Energy: 0.683160222700628 Energy: 0.8155219317077782 Energy: 0.683160222700628 Energy: 0.8155219317077782 Energy: 0.7690689505495645 Energy: 0.7527142966519657 Energy: 0.7690689505495645 Energy: 0.7527142966519657 Energy: 0.7690689505495645 Energy: 0.7527142966519657 Energy: 0.7482070368479034 Energy: 0.7522637022828952 Energy: 0.7482070368479034 Energy: 0.7522637022828952 Energy: 0.7482070368479034 Energy: 0.7522637022828952 Energy: 0.693650680686668 Energy: 0.7096639055558179 Energy: 0.693650680686668 Energy: 0.7096639055558179 Energy: 0.693650680686668 Energy: 0.7096639055558179 Energy: 0.7482715188650719 Energy: 0.7132688703700673 Energy: 0.7482715188650719 Energy: 0.7132688703700673 Energy: 0.7482715188650719 Energy: 0.7132688703710864 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.7686146883979122 Energy: 0.7527136105042606 Energy: 0.6831602226996087 Energy: 0.8058155484857552 Energy: 0.6831602226996087 Energy: 0.8058155484857552 Energy: 0.6831602226996087 Energy: 0.8058155484857552 Energy: 0.7690689505485453 Energy: 0.7527142966519657 Energy: 0.7690689505495645 Energy: 0.7527142966509464 Energy: 0.7690689505485453 Energy: 0.7527142966519657 minimum gb energy = 0.6831602226996087 eV minimum distance = 2.36066073062286 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.807812785177749 Energy: 0.787179142089302 Energy: 0.8078127851785813 Energy: 0.787179142089302 Energy: 0.807812785177749 Energy: 0.787179142089302 Energy: 0.771639962649982 Energy: 0.7785789631062688 Energy: 0.771639962649982 Energy: 0.7785789631062688 Energy: 0.7716399626508142 Energy: 0.7785789631071011 Energy: 0.7194232564293779 Energy: 0.7494052462640441 Energy: 0.7194232564285457 Energy: 0.7494052462756581 Energy: 0.7194232564293779 Energy: 0.749405246272329 Energy: 0.7621171459856148 Energy: 0.7832761970916289 Energy: 0.7621171459856148 Energy: 0.7832761970916289 Energy: 0.7621171459856148 Energy: 0.7832761970916289 Energy: 0.7767755923909527 Energy: 0.8043907394755409 Energy: 0.7767755923909527 Energy: 0.8043907394755409 Energy: 0.776775592391785 Energy: 0.8043907394755409 Energy: 0.7580435361385243 Energy: 0.7731782464354144 Energy: 0.758043536137692 Energy: 0.7731782464354144 Energy: 0.7580435361368597 Energy: 0.7731782464354144 Energy: 0.7715302233946532 Energy: 0.7702021535344609 Energy: 0.7715302233954854 Energy: 0.7702021535352931 Energy: 0.7715302233954854 Energy: 0.7702021535352931 Energy: 0.7706485572831447 Energy: 0.7742392513861522 Energy: 0.7706485572823125 Energy: 0.77423925138532 Energy: 0.7706485572839771 Energy: 0.77423925138532 Energy: 0.8210523912400164 Energy: 0.7619254919975574 Energy: 0.821052391239184 Energy: 0.7619254919975574 Energy: 0.8210523912408485 Energy: 0.7619254919958929 Energy: 0.7737092321259612 Energy: 0.7614281091755557 Energy: 0.7737092321267934 Energy: 0.7614281091747235 Energy: 0.7737092321259612 Energy: 0.7614281091755557 Energy: 0.7320884796754643 Energy: 0.7316605971344934 Energy: 0.7320884796737998 Energy: 0.7316605971344934 Energy: 0.7320884796762966 Energy: 0.7316605971344934 Energy: 0.7623085312998216 Energy: 0.7885452835840066 Energy: 0.7623085313006539 Energy: 0.7885452835840066 Energy: 0.7623085312989893 Energy: 0.7885452835840066 Energy: 0.7544179089531352 Energy: 0.794705599892331 Energy: 0.7544179089539675 Energy: 0.7947055998914988 Energy: 0.7544179089539675 Energy: 0.794705599892331 Energy: 0.7805820559461765 Energy: 0.7252740595029334 Energy: 0.7805820559453441 Energy: 0.7252740595029334 Energy: 0.7805820559461765 Energy: 0.7252740595029334 Energy: 0.7596887480525458 Energy: 0.7764223584040948 Energy: 0.7596887480508814 Energy: 0.776422358404927 Energy: 0.7596887480517136 Energy: 0.776422358404927 Energy: 0.8350793728865422 Energy: 0.7744106551726319 Energy: 0.8350793728882068 Energy: 0.7744106551734641 Energy: 0.8350793728873745 Energy: 0.7744106551734641 Energy: 0.8011946118791478 Energy: 0.7732095376432614 Energy: 0.8011946118783156 Energy: 0.7732095376440937 Energy: 0.8011946118791478 Energy: 0.7732095376432614 Energy: 0.7923066688524086 Energy: 0.7774628599109819 Energy: 0.7923066688524086 Energy: 0.7774628599109819 Energy: 0.7923066688540732 Energy: 0.7774628599109819 Energy: 0.746582784321766 Energy: 0.7255450593343642 Energy: 0.746582784321766 Energy: 0.7255450593343642 Energy: 0.746582784321766 Energy: 0.7255450593335319 Energy: 0.7495601085219745 Energy: 0.747572999557989 Energy: 0.7495601085219745 Energy: 0.7475729995588212 Energy: 0.7495601085228067 Energy: 0.747572999557989 Energy: 0.7655146306975528 Energy: 0.7897261535030853 Energy: 0.7655146306967204 Energy: 0.7897261535030853 Energy: 0.7655146306967204 Energy: 0.7897261535030853 minimum gb energy = 0.7194232564285457 eV minimum distance = 2.33712174965742 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.8191941119709861 Energy: 0.7795016008750151 Energy: 0.8191941119702847 Energy: 0.7795016008750151 Energy: 0.8191941119702847 Energy: 0.7795016008750151 Energy: 0.6994467050216051 Energy: 0.7351046110962116 Energy: 0.6994467050229762 Energy: 0.7351046110962116 Energy: 0.6994467050223067 Energy: 0.7351046110962116 Energy: 0.6874037525864414 Energy: 0.7760577389142211 Energy: 0.6874037525871429 Energy: 0.7760577389149227 Energy: 0.6874037525878445 Energy: 0.7760577389149227 Energy: 0.7784102226733797 Energy: 0.7368585971121263 Energy: 0.7784102226733797 Energy: 0.7368585971121263 Energy: 0.7784102226733797 Energy: 0.7368585971128279 Energy: 0.731680230686906 Energy: 0.6596589384506008 Energy: 0.7316802306862045 Energy: 0.6596589384498992 Energy: 0.7316802306876077 Energy: 0.6596589384498992 Energy: 0.658483141910005 Energy: 0.7300520103889966 Energy: 0.6584831419114081 Energy: 0.7300520103889966 Energy: 0.6584831419107067 Energy: 0.7300520103889966 Energy: 0.7396174376243527 Energy: 0.7020314595172399 Energy: 0.7396174376243527 Energy: 0.7020314595179414 Energy: 0.7396174376229496 Energy: 0.7020314595172399 Energy: 0.7583529864078368 Energy: 0.6855279665705937 Energy: 0.7583529864078368 Energy: 0.6855279665712953 Energy: 0.7583529864071352 Energy: 0.6855279665705937 Energy: 0.6917769448441662 Energy: 0.7854960712409536 Energy: 0.6917769448427631 Energy: 0.7854960712409536 Energy: 0.6917769448434646 Energy: 0.7854960712409536 Energy: 0.732922354157436 Energy: 0.6986683119912347 Energy: 0.7329223541567345 Energy: 0.6986683119912347 Energy: 0.7329223541567345 Energy: 0.6986683119912347 Energy: 0.7735413233187668 Energy: 0.7098388535909269 Energy: 0.7735413233180652 Energy: 0.7098388535909269 Energy: 0.7735413233180652 Energy: 0.7098388535909269 Energy: 0.6992816427477696 Energy: 0.7736323314589213 Energy: 0.6992816427477696 Energy: 0.7736323314582197 Energy: 0.699281642747068 Energy: 0.7736323314582197 Energy: 0.6837060297399155 Energy: 0.6865220836152034 Energy: 0.6837060297399155 Energy: 0.6865220836152034 Energy: 0.6837060297399155 Energy: 0.6865220836152034 Energy: 0.7315887784756995 Energy: 0.6907822201179992 Energy: 0.731588778476401 Energy: 0.6907822201179992 Energy: 0.731588778476401 Energy: 0.6907822201172977 Energy: 0.6586424653258461 Energy: 0.7296675411278544 Energy: 0.6586424653279507 Energy: 0.7296675411299589 Energy: 0.6586424653258461 Energy: 0.7296675411264513 Energy: 0.7309176839639866 Energy: 0.6587342607565053 Energy: 0.7309176839639866 Energy: 0.6587342607565053 Energy: 0.7309176839639866 Energy: 0.6587342607565053 Energy: 0.7771992394395852 Energy: 0.73374189452438 Energy: 0.7771992394395852 Energy: 0.73374189452438 Energy: 0.7771992394395852 Energy: 0.73374189452438 Energy: 0.6877056548836634 Energy: 0.7311215993639323 Energy: 0.6877056548822604 Energy: 0.7311215993639323 Energy: 0.687705654884365 Energy: 0.7311215993639323 Energy: 0.6542840323779326 Energy: 0.7332022057839273 Energy: 0.6542840323786342 Energy: 0.7332022057839273 Energy: 0.6542840323772312 Energy: 0.7332022057832256 Energy: 0.8191941119716879 Energy: 0.7795016008715073 Energy: 0.8191941119709861 Energy: 0.7795016008715073 Energy: 0.8191941119716879 Energy: 0.7795016008715073 Energy: 0.6994467050223067 Energy: 0.7351046110976148 Energy: 0.6994467050209036 Energy: 0.7351046110976148 Energy: 0.6994467050216051 Energy: 0.7351046110976148 Energy: 0.6874037525808291 Energy: 0.776057738911415 Energy: 0.6874037525815306 Energy: 0.7760577389121165 Energy: 0.6874037525801275 Energy: 0.776057738912818 Energy: 0.778410222672678 Energy: 0.7368585971114247 Energy: 0.778410222671275 Energy: 0.7368585971107232 Energy: 0.7784102226719765 Energy: 0.7368585971107232 Energy: 0.7316802306883091 Energy: 0.6596589384477946 Energy: 0.731680230686906 Energy: 0.6596589384477946 Energy: 0.7316802306883091 Energy: 0.6596589384477946 Energy: 0.658483141908602 Energy: 0.7300520103932058 Energy: 0.6584831419093036 Energy: 0.7300520103932058 Energy: 0.658483141908602 Energy: 0.7300520103939073 minimum gb energy = 0.6542840323772312 eV minimum distance = 2.35785457218196 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.796857161441242 Energy: 0.7054186193623685 Energy: 0.796857161442453 Energy: 0.7054186193623685 Energy: 0.7968571614418475 Energy: 0.7054186193623685 Energy: 0.7624042727734556 Energy: 0.7757513475868497 Energy: 0.7624042727722444 Energy: 0.7757513475868497 Energy: 0.7624042727734556 Energy: 0.7757513475868497 Energy: 0.7476645884057448 Energy: 0.7489056697493222 Energy: 0.7476645884057448 Energy: 0.7489056697493222 Energy: 0.7476645884051393 Energy: 0.7489056697493222 Energy: 0.7595966096936015 Energy: 0.7430677851891407 Energy: 0.7595966096929959 Energy: 0.7430677851891407 Energy: 0.7595966096936015 Energy: 0.7430677851897464 Energy: 0.7704456612079477 Energy: 0.7669062029877712 Energy: 0.7704456612079477 Energy: 0.7669062029877712 Energy: 0.7704456612079477 Energy: 0.7669062029877712 Energy: 0.7347197354508023 Energy: 0.7681349475206336 Energy: 0.7347197354501966 Energy: 0.7681349475206336 Energy: 0.7347197354501966 Energy: 0.7681349475206336 Energy: 0.7549894701360557 Energy: 0.7566302482167429 Energy: 0.7549894701354501 Energy: 0.7566302482167429 Energy: 0.7549894701360557 Energy: 0.7566302482167429 Energy: 0.7795275438617736 Energy: 0.7571992434364233 Energy: 0.7795275438629847 Energy: 0.7571992434364233 Energy: 0.7795275438623792 Energy: 0.7571992434364233 Energy: 0.7315092320747945 Energy: 0.7473693900143153 Energy: 0.7315092320741889 Energy: 0.7473693900143153 Energy: 0.7315092320754001 Energy: 0.7473693900143153 Energy: 0.7486801158990982 Energy: 0.7544630960442291 Energy: 0.7486801158984927 Energy: 0.7544630960442291 Energy: 0.7486801158997036 Energy: 0.7544630960442291 Energy: 0.7534891774908938 Energy: 0.7580066571009787 Energy: 0.7534891774914992 Energy: 0.7580066571009787 Energy: 0.7534891774908938 Energy: 0.7580066571009787 Energy: 0.756112644290942 Energy: 0.7493768021673031 Energy: 0.7561126442915476 Energy: 0.7493768021673031 Energy: 0.7561126442903364 Energy: 0.7493768021673031 Energy: 0.734478234236925 Energy: 0.7674789087889354 Energy: 0.7344782342363195 Energy: 0.7674789087883297 Energy: 0.7344782342363195 Energy: 0.7674789087889354 Energy: 0.762758518217412 Energy: 0.7250451451304486 Energy: 0.762758518217412 Energy: 0.7250451451304486 Energy: 0.7627585182180178 Energy: 0.7250451451304486 Energy: 0.740273708061154 Energy: 0.7563252455361544 Energy: 0.7402737080617595 Energy: 0.7563252455361544 Energy: 0.740273708061154 Energy: 0.7563252455361544 Energy: 0.7495143630003913 Energy: 0.7526529478581284 Energy: 0.7495143630003913 Energy: 0.7526529478581284 Energy: 0.7495143630016022 Energy: 0.7526529478581284 Energy: 0.757856920220601 Energy: 0.7449480779973503 Energy: 0.7578569202193898 Energy: 0.7449480779973503 Energy: 0.757856920220601 Energy: 0.7449480779973503 Energy: 0.7500741400353905 Energy: 0.768059723076482 Energy: 0.750074140035996 Energy: 0.768059723076482 Energy: 0.7500741400353905 Energy: 0.7680597230770875 Energy: 0.690727050534666 Energy: 0.7680423224951013 Energy: 0.690727050534666 Energy: 0.7680423224951013 Energy: 0.690727050534666 Energy: 0.7680423224951013 Energy: 0.7642827912769983 Energy: 0.7343842339828667 Energy: 0.7642827912776038 Energy: 0.7343842339834724 Energy: 0.7642827912776038 Energy: 0.7343842339828667 Energy: 0.7413279222869943 Energy: 0.7557593075519162 Energy: 0.7413279222882054 Energy: 0.7557593075519162 Energy: 0.7413279222869943 Energy: 0.7557593075519162 Energy: 0.7278434136146723 Energy: 0.7504704093962639 Energy: 0.7278434136146723 Energy: 0.7504704093962639 Energy: 0.7278434136146723 Energy: 0.7504704093962639 Energy: 0.7795350967548841 Energy: 0.7689031292088573 Energy: 0.7795350967542785 Energy: 0.7689031292088573 Energy: 0.7795350967548841 Energy: 0.7689031292088573 Energy: 0.8021234125236091 Energy: 0.7043378808893269 Energy: 0.8021234125242145 Energy: 0.7043378808899323 Energy: 0.8021234125242145 Energy: 0.7043378808899323 Energy: 0.7242352003680357 Energy: 0.7515369251420138 Energy: 0.7242352003674302 Energy: 0.7515369251414081 Energy: 0.7242352003680357 Energy: 0.7515369251414081 Energy: 0.7590804966075178 Energy: 0.7669918594752366 Energy: 0.7590804966075178 Energy: 0.7669918594752366 Energy: 0.7590804966081234 Energy: 0.7669918594752366 Energy: 0.7473685701103857 Energy: 0.7076296042447671 Energy: 0.7473685701109913 Energy: 0.7076296042447671 Energy: 0.7473685701103857 Energy: 0.7076296042447671 Energy: 0.7320221699900792 Energy: 0.7783698845833676 Energy: 0.7320221699906847 Energy: 0.7783698845833676 Energy: 0.7320221699906847 Energy: 0.7783698845833676 Energy: 0.7364344665162299 Energy: 0.7703639879987988 Energy: 0.7364344665180467 Energy: 0.7703639879987988 Energy: 0.736434466517441 Energy: 0.7703639879994043 minimum gb energy = 0.690727050534666 eV minimum distance = 2.34091970668677 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.7620445006673131 Energy: 0.7394326719729689 Energy: 0.7620445006673131 Energy: 0.7394326719729689 Energy: 0.7620445006667806 Energy: 0.7394326719729689 Energy: 0.726975723972498 Energy: 0.7601448913328644 Energy: 0.7269757239730303 Energy: 0.7601448913328644 Energy: 0.7269757239730303 Energy: 0.7601448913323322 Energy: 0.7392589162170909 Energy: 0.7197492997215028 Energy: 0.7392589162176233 Energy: 0.7197492997215028 Energy: 0.7392589162170909 Energy: 0.7197492997215028 Energy: 0.7188805026820793 Energy: 0.755756490250543 Energy: 0.718880502681547 Energy: 0.7557564902500107 Energy: 0.7188805026810147 Energy: 0.755756490250543 Energy: 0.697913038987908 Energy: 0.737140630405129 Energy: 0.697913038987908 Energy: 0.737140630405129 Energy: 0.6979130389884403 Energy: 0.737140630405129 Energy: 0.7246035367914815 Energy: 0.7206670151719115 Energy: 0.7246035367920137 Energy: 0.720667015171379 Energy: 0.7246035367925461 Energy: 0.7206670151708467 Energy: 0.7420817147446094 Energy: 0.7179111749602013 Energy: 0.7420817147446094 Energy: 0.7179111749596689 Energy: 0.7420817147451417 Energy: 0.7179111749596689 Energy: 0.7163972822566068 Energy: 0.7439003641286213 Energy: 0.7163972822555421 Energy: 0.7439003641286213 Energy: 0.7163972822560746 Energy: 0.7439003641286213 Energy: 0.7259351647369712 Energy: 0.7190276820435999 Energy: 0.7259351647369712 Energy: 0.7190276820435999 Energy: 0.7259351647369712 Energy: 0.7190276820435999 Energy: 0.6979775414562092 Energy: 0.7289418258884414 Energy: 0.6979775414556769 Energy: 0.7289418258884414 Energy: 0.6979775414556769 Energy: 0.7289418258884414 Energy: 0.7123979087541105 Energy: 0.7530432814779138 Energy: 0.7123979087535781 Energy: 0.7530432814779138 Energy: 0.7123979087535781 Energy: 0.7530432814779138 Energy: 0.7398941170472497 Energy: 0.7654684199597427 Energy: 0.7398941170472497 Energy: 0.7654684199597427 Energy: 0.7398941170472497 Energy: 0.7654684199597427 Energy: 0.7028891942956749 Energy: 0.720690224688142 Energy: 0.7028891942951425 Energy: 0.720690224688142 Energy: 0.7028891942951425 Energy: 0.7206902246876097 Energy: 0.7630370144970875 Energy: 0.6759748288397104 Energy: 0.7630370144976197 Energy: 0.6759748288397104 Energy: 0.7630370144965551 Energy: 0.6759748288402427 Energy: 0.728035820394125 Energy: 0.7471629227467161 Energy: 0.728035820394125 Energy: 0.7471629227472485 Energy: 0.7280358203935925 Energy: 0.7471629227467161 Energy: 0.7384593451635391 Energy: 0.7293746800065208 Energy: 0.7384593451646037 Energy: 0.7293746800065208 Energy: 0.7384593451640713 Energy: 0.7293746800065208 Energy: 0.7104891314083105 Energy: 0.7551202008762203 Energy: 0.7104891314077781 Energy: 0.7551202008762203 Energy: 0.7104891314077781 Energy: 0.7551202008762203 Energy: 0.7185094925144243 Energy: 0.7410965263279536 Energy: 0.7185094925138921 Energy: 0.7410965263279536 Energy: 0.7185094925138921 Energy: 0.7410965263279536 Energy: 0.72384431366005 Energy: 0.7191602975149513 Energy: 0.7238443136616469 Energy: 0.7191602975149513 Energy: 0.72384431366005 Energy: 0.7191602975149513 Energy: 0.7412364030998433 Energy: 0.7511642532059748 Energy: 0.741236403099311 Energy: 0.751164253206507 Energy: 0.741236403099311 Energy: 0.751164253206507 Energy: 0.7127183346677584 Energy: 0.7541231263950742 Energy: 0.7127183346682907 Energy: 0.7541231263950742 Energy: 0.7127183346677584 Energy: 0.7541231263950742 Energy: 0.7587976058339942 Energy: 0.7203634891314658 Energy: 0.7587976058334618 Energy: 0.7203634891309335 Energy: 0.7587976058334618 Energy: 0.7203634891298689 Energy: 0.6935692178982792 Energy: 0.7211116814579451 Energy: 0.6935692178982792 Energy: 0.7211116814579451 Energy: 0.6935692178977468 Energy: 0.7211116814579451 Energy: 0.7153532448132575 Energy: 0.7034800018436895 Energy: 0.7153532448127251 Energy: 0.7034800018431573 Energy: 0.7153532448132575 Energy: 0.7034800018431573 Energy: 0.7522688408996351 Energy: 0.7391141488152151 Energy: 0.7522688408996351 Energy: 0.7391141488157473 Energy: 0.7522688408996351 Energy: 0.7391141488157473 Energy: 0.7008868099054743 Energy: 0.727363870041009 Energy: 0.700886809904942 Energy: 0.727363870041009 Energy: 0.7008868099065388 Energy: 0.727363870041009 Energy: 0.7629554936969096 Energy: 0.6778266655856736 Energy: 0.7629554936963774 Energy: 0.6778266655856736 Energy: 0.7629554936969096 Energy: 0.6778266655856736 Energy: 0.7382758309405197 Energy: 0.7037982094912196 Energy: 0.7382758309399874 Energy: 0.7037982094912196 Energy: 0.738275830941052 Energy: 0.7037982094906872 Energy: 0.703307149437392 Energy: 0.7237031774519869 Energy: 0.7033071494389891 Energy: 0.7237031774519869 Energy: 0.7033071494379245 Energy: 0.7237031774519869 Energy: 0.709705412117021 Energy: 0.7192382655546902 Energy: 0.709705412117021 Energy: 0.7192382655546902 Energy: 0.7097054121164887 Energy: 0.7192382655546902 Energy: 0.7101520469703932 Energy: 0.6754825125278577 Energy: 0.7101520469709255 Energy: 0.6754825125278577 Energy: 0.7101520469698609 Energy: 0.6754825125278577 Energy: 0.6955590120950038 Energy: 0.7266118104925309 Energy: 0.6955590120955362 Energy: 0.7266118104919985 Energy: 0.6955590120950038 Energy: 0.7266118104919985 Energy: 0.6931839123495623 Energy: 0.7211393629054202 Energy: 0.6931839123495623 Energy: 0.7211393629054202 Energy: 0.6931839123495623 Energy: 0.7211393629054202 minimum gb energy = 0.6754825125278577 eV minimum distance = 2.34230620724038 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015446385293514886 Energy: 0.44750780981813326 Energy: 0.015446385293514886 Energy: 0.4475078098185756 Energy: 0.015446385293514886 Energy: 0.4475078098185756 Energy: 0.016964223042523673 Energy: 0.2744371937055002 Energy: 0.016964223042941387 Energy: 0.2744371937059425 Energy: 0.016964223042523673 Energy: 0.27443719370247793 Energy: 0.8088176031566238 Energy: 0.27483725029627704 Energy: 0.8088176031557637 Energy: 0.27483725029541706 Energy: 0.8088176031575084 Energy: 0.27483725029541706 Energy: 0.01696422304208139 Energy: 0.2744371937011756 Energy: 0.016964223042523673 Energy: 0.2744371937063848 Energy: 0.01696422304208139 Energy: 0.2744371937011756 minimum gb energy = 0.015446385293514886 eV minimum distance = 2.54614316708041 Angstroms sigma value = 1