Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_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=3.619543239474297 cohesive_energy=3.471712825662978 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: -0.07756918655230237 Energy: 0.7529602012224479 Energy: -0.07756918655198956 Energy: 0.752960201221857 Energy: -0.07756918655198956 Energy: 0.7529602012215442 Energy: 0.7529602012212313 Energy: 0.8335667911155096 Energy: 0.7529602012212313 Energy: 0.736163027333 Energy: 0.7529602012215442 Energy: 0.736163027333 Energy: -0.07756918655289326 Energy: 0.7529602012215442 Energy: -0.07756918655289326 Energy: 0.7529602012215442 Energy: -0.0775691865526152 Energy: 0.752960201221857 Energy: 0.7529602012215442 Energy: 0.7361630273326871 Energy: 0.752960201221857 Energy: 0.7361630273326871 Energy: 0.7529602012224479 Energy: 0.736163027333 Energy: -0.07756918655230237 Energy: 0.7529602012224479 Energy: -0.07756918655320609 Energy: 0.7529602012227606 Energy: -0.07756918655320609 Energy: 0.7529602012215442 Energy: 0.752960201221857 Energy: 0.7361630273324092 Energy: 0.7529602012212313 Energy: 0.7361630273320964 Energy: 0.7529602012224479 Energy: 0.7361630273333128 minimum gb energy = -0.07756918655320609 eV minimum distance = 2.27116221918348 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.7891666627201409 Energy: 0.7623911615375635 Energy: 0.7891666627201409 Energy: 0.7623911615390695 Energy: 0.7891666627223998 Energy: 0.7623911615398226 Energy: 0.9384821763056613 Energy: 0.707159184818208 Energy: 0.9384821763056613 Energy: 0.707159184818208 Energy: 0.9384821763094263 Energy: 0.707159184816702 Energy: 0.778324362599816 Energy: 0.9890491456846475 Energy: 0.7440265997907552 Energy: 0.9890491456838947 Energy: 0.7783243625983101 Energy: 0.9890491456854007 Energy: 0.8919818318797854 Energy: 0.749626253419737 Energy: 0.8919818318805384 Energy: 0.7496262534204899 Energy: 0.8919818318782793 Energy: 0.749626253418984 Energy: 0.7437876010942216 Energy: 0.8430933990223725 Energy: 0.7437876010934685 Energy: 0.8430933990246314 Energy: 0.7437876010927156 Energy: 0.8430933990291495 Energy: 0.806084674407096 Energy: 0.7182646431486669 Energy: 0.8060846744086019 Energy: 0.71826464314942 Energy: 0.8060846744078489 Energy: 0.7182646431486669 Energy: 0.7470703351147729 Energy: 0.7671539327237507 Energy: 0.7470703351132669 Energy: 0.7671539327252566 Energy: 0.7470703351147729 Energy: 0.7671539327260095 Energy: 0.7349437980172265 Energy: 0.8470164967736882 Energy: 0.7349437980179796 Energy: 0.8470164967767 Energy: 0.7349437980179796 Energy: 0.8470164967782061 Energy: 0.8167287569343304 Energy: 0.7748544337103002 Energy: 0.8167287569350833 Energy: 0.7748544337110533 Energy: 0.8167287569343304 Energy: 0.7748544337095473 Energy: 0.6875132736407056 Energy: 0.8314716596975555 Energy: 0.6875132736422116 Energy: 0.8314716596960494 Energy: 0.6875132736407056 Energy: 0.8314716596937904 Energy: 1.0665600326520681 Energy: 0.7195024747780453 Energy: 1.0665600326528208 Energy: 0.7195024747780453 Energy: 1.0665600326520681 Energy: 0.7195024747795512 Energy: 0.6975645832718023 Energy: 1.1159855195897754 Energy: 0.6975645832718023 Energy: 1.1159855195920343 Energy: 0.6975645832718023 Energy: 1.1159855195905284 Energy: 0.91121111252462 Energy: 0.6877999077672659 Energy: 0.91121111252462 Energy: 0.6877999077680189 Energy: 0.91121111252462 Energy: 0.6877999077672659 Energy: 0.7383428326225486 Energy: 0.7486376475116661 Energy: 0.7383428326233015 Energy: 0.748637647513172 Energy: 0.7383428326217956 Energy: 0.7486376475146781 Energy: 0.9214295781056165 Energy: 0.6996724922648844 Energy: 0.9214295781063696 Energy: 0.6996724922619065 Energy: 0.9214295781063696 Energy: 0.6996724922619065 Energy: 0.906519185848952 Energy: 0.8085571350387847 Energy: 0.9065191858474458 Energy: 0.8085571350402906 Energy: 0.9065191858497048 Energy: 0.8085571350395376 Energy: 0.7537842567220366 Energy: 0.7818267717438299 Energy: 0.7537842567227897 Energy: 0.7818267717438299 Energy: 0.7537842567273078 Energy: 0.7818267717408178 Energy: 0.7537768091147112 Energy: 0.7389789303851807 Energy: 0.7537768091154643 Energy: 0.7389789303829216 Energy: 0.7537768091192293 Energy: 0.7389789303844276 Energy: 0.7010523540604724 Energy: 0.7446745204457463 Energy: 0.7010523540619783 Energy: 0.7446745204472525 Energy: 0.7010523540627314 Energy: 0.7446745204472525 Energy: 0.825434585183692 Energy: 0.7185908969648009 Energy: 0.825434585182186 Energy: 0.718590896966307 Energy: 0.825434585182186 Energy: 0.7185908969648009 Energy: 0.7146047527913906 Energy: 1.0784488680400528 Energy: 0.7146047527906376 Energy: 1.078448868038547 Energy: 0.7146047527921435 Energy: 1.0784488680400528 Energy: 0.7932529005023701 Energy: 0.7700751136543714 Energy: 0.793252900501617 Energy: 0.7700751136528654 Energy: 0.7932529005023701 Energy: 0.7700751136543714 Energy: 0.6772476263356091 Energy: 0.9301704283858752 Energy: 0.6772476263333501 Energy: 0.9301704283843691 Energy: 0.6772476263341031 Energy: 0.9301704283843691 minimum gb energy = 0.6772476263333501 eV minimum distance = 2.21478263193494 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.8659800634690976 Energy: 0.875542775120757 Energy: 0.788443927540764 Energy: 0.8755427751216134 Energy: 0.8659800634699543 Energy: 0.8755427751203285 Energy: 0.9443438775009602 Energy: 0.7679977787351397 Energy: 0.9443438775018168 Energy: 0.7679977787355681 Energy: 0.9443438775013884 Energy: 0.7679977787347115 Energy: 0.7696365340436884 Energy: 0.7635743896456992 Energy: 0.7696365340432599 Energy: 0.7635743896486974 Energy: 0.7696365340436884 Energy: 0.763574389648269 Energy: 0.9637976191337908 Energy: 0.840759856427551 Energy: 0.9637976191337908 Energy: 0.8407598564279792 Energy: 0.9637976191346473 Energy: 0.840759856427551 Energy: 0.8238346323947876 Energy: 0.8540546309676822 Energy: 0.8238346323947876 Energy: 0.8540546309655406 Energy: 0.8238346323939311 Energy: 0.8540546309659688 Energy: 0.7996159595761937 Energy: 0.7675530688536887 Energy: 0.7996159595757655 Energy: 0.7677767406809657 Energy: 0.7996159595770505 Energy: 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0.7959062184529323 Energy: 0.7704647168831465 Energy: 0.7773120871260654 Energy: 0.7704647168841389 Energy: 0.7773120871270578 Energy: 0.7704647168851312 Energy: 0.7773120871280502 Energy: 0.8191863329277682 Energy: 0.833863021167786 Energy: 0.8191863329267758 Energy: 0.8338630211687783 Energy: 0.8191863329277682 Energy: 0.833863021167786 Energy: 0.8724137164557407 Energy: 0.7899264242687745 Energy: 0.8724137164547482 Energy: 0.7899264242717517 Energy: 0.8724137164557407 Energy: 0.7899264242717517 Energy: 0.8513655949837906 Energy: 0.8625855876775118 Energy: 0.8513655949847829 Energy: 0.8625855876775118 Energy: 0.8513655949837906 Energy: 0.8625855876775118 Energy: 0.8362243038817533 Energy: 0.7902406853660402 Energy: 0.8362243038827455 Energy: 0.7902406853660402 Energy: 0.8362243038817533 Energy: 0.7902406853660402 minimum gb energy = 0.7354602393703266 eV minimum distance = 2.19035914134768 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.72276119842793 Energy: 0.707143762238725 Energy: 0.72276119842793 Energy: 0.707143762238725 Energy: 0.7227611984285185 Energy: 0.7071437622410528 Energy: 0.9218869169180085 Energy: 0.8623467443203358 Energy: 0.9218869169180085 Energy: 0.8623467443209244 Energy: 0.921886916918597 Energy: 0.8623467443203358 Energy: 0.6607367802066997 Energy: 0.8603147002370576 Energy: 0.6607367802072883 Energy: 0.8603147002364689 Energy: 0.660736780207877 Energy: 0.8603147002353184 Energy: 0.830948378886048 Energy: 0.6606976570004849 Energy: 0.830948378886048 Energy: 0.6606976570004849 Energy: 0.8309483788872254 Energy: 0.6606976570004849 Energy: 0.7509794573323584 Energy: 0.7185858309283187 Energy: 0.750979457332947 Energy: 0.718585830921255 Energy: 0.7509794573341244 Energy: 0.7185858309265529 Energy: 0.7509320574339047 Energy: 0.7185110360823564 Energy: 0.7509320574339047 Energy: 0.7185110360858884 Energy: 0.7509320574344933 Energy: 0.7185110360835337 Energy: 0.8309455125359418 Energy: 0.6607833676213782 Energy: 0.8309455125359418 Energy: 0.6607833676219669 Energy: 0.8309455125371191 Energy: 0.6607833676213782 Energy: 0.660730798712395 Energy: 0.8601755624693922 Energy: 0.6607307987118064 Energy: 0.8601755624711582 Energy: 0.6607307987118064 Energy: 0.8601755624688036 Energy: 0.9218072009523839 Energy: 0.8623828610783297 Energy: 0.921807200950618 Energy: 0.8623828610789184 Energy: 0.9218072009565045 Energy: 0.8623828610783297 Energy: 0.7227611984291071 Energy: 0.7071437622393136 Energy: 0.7227611984285185 Energy: 0.7071437622375476 Energy: 0.7227611984296958 Energy: 0.7071437622399023 Energy: 0.9218869169180085 Energy: 0.862346744319747 Energy: 0.9218869169180085 Energy: 0.8623467443209244 Energy: 0.921886916918597 Energy: 0.8623467443209244 Energy: 0.6607367802066997 Energy: 0.8603147002347298 Energy: 0.660736780206111 Energy: 0.8603147002376462 Energy: 0.6607367802066997 Energy: 0.8603147002358803 Energy: 0.830948378887814 Energy: 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0.6607833676213782 Energy: 0.8309455125353532 Energy: 0.6607833676207896 Energy: 0.6607307987118064 Energy: 0.8601755624711582 Energy: 0.6607307987118064 Energy: 0.8601755624699808 Energy: 0.660730798712395 Energy: 0.8601755624723355 Energy: 0.9218072009565045 Energy: 0.8623828610777411 Energy: 0.9218072009512066 Energy: 0.8623828610765637 Energy: 0.9218072009512066 Energy: 0.8623828610789184 Energy: 0.7227611984291071 Energy: 0.7071437622404908 Energy: 0.7227611984285185 Energy: 0.7071437622399023 Energy: 0.7227611984285185 Energy: 0.707143762238725 Energy: 0.9218869169180085 Energy: 0.8623467443209244 Energy: 0.9218869169174198 Energy: 0.8623467443179813 Energy: 0.9218869169168311 Energy: 0.8623467443209244 Energy: 0.6607367802066997 Energy: 0.8603147002353184 Energy: 0.6607367802066997 Energy: 0.8603147002358803 Energy: 0.660736780207877 Energy: 0.8603147002358803 minimum gb energy = 0.6606976569998962 eV minimum distance = 2.20849621915026 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.707269693367267 Energy: 0.6742791822354397 Energy: 0.707269693367267 Energy: 0.6742791822397654 Energy: 0.7072696933701507 Energy: 0.6742791822397654 Energy: 0.8025091240458236 Energy: 0.7099389556165357 Energy: 0.8025091240472656 Energy: 0.7099389556136521 Energy: 0.8025091240487073 Energy: 0.7099389556150938 Energy: 0.6838112352385309 Energy: 0.7997699697009476 Energy: 0.6838112352385309 Energy: 0.7997699697009476 Energy: 0.6838112352414148 Energy: 0.7997699696995058 Energy: 0.7565375967540184 Energy: 0.6515053618561566 Energy: 0.7565375967525767 Energy: 0.6515053618575984 Energy: 0.7565375967525767 Energy: 0.6515053618575984 Energy: 0.8316834429622748 Energy: 0.6528871561946261 Energy: 0.8316834429622748 Energy: 0.6528871561946261 Energy: 0.8316834429622748 Energy: 0.6528871561931843 Energy: 0.7670176950815961 Energy: 0.8073893020371584 Energy: 0.7670176950801543 Energy: 0.8073893020371584 Energy: 0.7670176950815961 Energy: 0.8073893020357167 Energy: 0.7163695053815567 Energy: 0.7135390510981239 Energy: 0.7163695053829987 Energy: 0.7135390510966821 Energy: 0.7163695053801149 Energy: 0.7135390510981239 Energy: 0.7031780266897959 Energy: 0.6973728748947491 Energy: 0.7031780266883539 Energy: 0.6973728748961909 Energy: 0.7031780266897959 Energy: 0.6973728748961909 Energy: 0.8240649388758315 Energy: 0.6841812338257578 Energy: 0.8240649388758315 Energy: 0.6841812338286416 Energy: 0.8240649388787155 Energy: 0.6841812338300834 Energy: 0.727023075969676 Energy: 0.866324299067318 Energy: 0.727023075969676 Energy: 0.866324299067318 Energy: 0.727023075969676 Energy: 0.866324299067318 Energy: 0.7910458553589736 Energy: 0.6531951021731994 Energy: 0.7910458553589736 Energy: 0.6531951021731994 Energy: 0.674052128611477 Energy: 0.6531951021731994 Energy: 0.8315209621509883 Energy: 0.850905387739164 Energy: 0.8315209621495462 Energy: 0.8509053877406061 Energy: 0.8315209621524302 Energy: 0.850905387739164 minimum gb energy = 0.6515053618561566 eV minimum distance = 2.23893590095399 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.6495534603521061 Energy: 0.6167198158719318 Energy: 0.6495534603512958 Energy: 0.6167198158699062 Energy: 0.649553460351701 Energy: 0.6167198158719318 Energy: 0.7395822452581036 Energy: 0.7214179166520002 Energy: 0.7395822452605344 Energy: 0.7214179166540259 Energy: 0.7395822452524317 Energy: 0.7214179166528105 Energy: 0.5709449769800813 Energy: 0.6380464654323614 Energy: 0.5709449769817018 Energy: 0.6380464654226383 Energy: 0.5709449769788658 Energy: 0.6380464654327667 Energy: 0.5906047429006464 Energy: 0.5717335891138153 Energy: 0.5906047428990259 Energy: 0.5717335891113845 Energy: 0.590604742899431 Energy: 0.5717335891138153 Energy: 0.6142301713723195 Energy: 0.5904912005122845 Energy: 0.614230171370699 Energy: 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Energy: 0.584492155028021 Energy: 0.33144496219116565 Energy: 0.5844921550270988 Energy: 0.2371109822123019 Energy: 0.5220971820666599 Energy: 0.2371109822123019 Energy: 0.5220971820666599 Energy: 0.2371109822123019 Energy: 0.522097182067582 Energy: 0.23707829464310462 Energy: 0.2823518518664964 Energy: 0.23707829464402685 Energy: 0.28235185186741857 Energy: 0.23707829464310462 Energy: 0.2823518518664964 Energy: 0.5843640475166165 Energy: 0.33170742264994374 Energy: 0.5843640475166165 Energy: 0.3317074226490216 Energy: 0.5843640475156943 Energy: 0.3317074226490216 minimum gb energy = 0.23689952579933254 eV minimum distance = 2.40909298564324 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.510876715763671 Energy: 0.688170937119176 Energy: 0.5108767157616443 Energy: 0.688170937119176 Energy: 0.5108767157629954 Energy: 0.6881709371198516 Energy: 0.7058592103089152 Energy: 0.6223113308343429 Energy: 0.7058592103082395 Energy: 0.6223113308336674 Energy: 0.7058592103102662 Energy: 0.6223113308343429 Energy: 0.6191346127834287 Energy: 0.9130386544205557 Energy: 0.6191346127827532 Energy: 0.9130386544205557 Energy: 0.6191346127820776 Energy: 0.91303865441988 Energy: 0.8724387508503967 Energy: 0.43703571473809294 Energy: 0.8724387508537745 Energy: 0.43703571473539077 Energy: 0.8724387508537745 Energy: 0.43703571473539077 Energy: 0.6725673904068976 Energy: 0.41945564948575176 Energy: 0.6725673904095999 Energy: 0.41945564948507624 Energy: 0.6725673904075732 Energy: 0.4194556494844006 Energy: 0.5754684578152943 Energy: 0.5086947776669142 Energy: 0.5754684578152943 Energy: 0.5086947776648876 Energy: 0.5754684578159699 Energy: 0.508694777664212 Energy: 0.4115383036442039 Energy: 0.6304954746002815 Energy: 0.411538303645555 Energy: 0.6304954745989304 Energy: 0.4115383036442039 Energy: 0.6304954746009571 Energy: 0.6767416248406359 Energy: 0.39831445607446553 Energy: 0.6767416248406359 Energy: 0.39831445607446553 Energy: 0.6767416248399605 Energy: 0.3983144560731144 Energy: 0.6776428806216936 Energy: 0.40215135832309096 Energy: 0.6776428806203426 Energy: 0.40215135832376653 Energy: 0.677642880619667 Energy: 0.4021513583210643 Energy: 0.41227859901087904 Energy: 0.7120733224287783 Energy: 0.4122785990088524 Energy: 0.7120733224240494 Energy: 0.4122785990081768 Energy: 0.7120733224301294 Energy: 0.7611052825506391 Energy: 0.5716793282671815 Energy: 0.7611052825526657 Energy: 0.5716793282685324 Energy: 0.7611052825513146 Energy: 0.5716793282698835 Energy: 0.6732788549188709 Energy: 0.4285053931904467 Energy: 0.6732788549188709 Energy: 0.4285053931877446 Energy: 0.6732788549195465 Energy: 0.4285053931863934 Energy: 0.683952213734761 Energy: 0.4417865250229628 Energy: 0.6839522137340855 Energy: 0.44178652502701615 Energy: 0.683952213734761 Energy: 0.441786525024314 Energy: 0.7666708444017437 Energy: 0.8890909595962911 Energy: 0.7666708444003927 Energy: 0.8890909595949401 Energy: 0.7666708443990414 Energy: 0.8890909595962911 Energy: 0.840804478143157 Energy: 0.5335473999558666 Energy: 0.840804478144508 Energy: 0.5335473999558666 Energy: 0.8408044781404546 Energy: 0.5335473999572179 Energy: 0.5084847083463286 Energy: 0.6834244595700001 Energy: 0.5084847083470043 Energy: 0.6834244595713511 Energy: 0.5084847083463286 Energy: 0.6834244595720268 Energy: 0.550439387396026 Energy: 0.624573382422432 Energy: 0.5504393873980526 Energy: 0.6245733824210807 Energy: 0.5504393873980526 Energy: 0.6245733824217563 Energy: 0.8321492706969318 Energy: 0.7816138666760971 Energy: 0.8321492706962563 Energy: 0.7816138666767727 Energy: 0.8321492706976072 Energy: 0.7816138666760971 Energy: 0.7251874304930523 Energy: 0.43351076040382414 Energy: 0.7251874304930523 Energy: 0.43351076040382414 Energy: 0.7251874304930523 Energy: 0.4335107604092286 Energy: 0.672982893559665 Energy: 0.5502873691204737 Energy: 0.6729828935576383 Energy: 0.550287369119798 Energy: 0.672982893559665 Energy: 0.5502873691191226 Energy: 0.4135425042722105 Energy: 0.5094849868499151 Energy: 0.4135425042728861 Energy: 0.5094849868505906 Energy: 0.4135425042728861 Energy: 0.5094849868519418 Energy: 0.6104188649865994 Energy: 0.6295218695450427 Energy: 0.6104188649872749 Energy: 0.6295218695504472 Energy: 0.6104188649859238 Energy: 0.6295218695497715 Energy: 0.5555494281680546 Energy: 0.5546907847642853 Energy: 0.555549428164677 Energy: 0.5546907847642853 Energy: 0.5555494281633258 Energy: 0.5546907847622586 Energy: 0.6793191876922615 Energy: 0.5463155505622013 Energy: 0.6793191876909106 Energy: 0.546315550564228 Energy: 0.6793191876888839 Energy: 0.5463155505622013 Energy: 0.4136755466122364 Energy: 0.711962463335121 Energy: 0.41367554661291195 Energy: 0.7119624633344456 Energy: 0.41367554661493866 Energy: 0.7119624633378233 Energy: 0.977727600718853 Energy: 0.5713512389803572 Energy: 0.9777276007202041 Energy: 0.5713512389796815 Energy: 0.9777276007195286 Energy: 0.5713512389790061 minimum gb energy = 0.3983144560731144 eV minimum distance = 2.2953470643504 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.6337473858934565 Energy: 0.5982339193377427 Energy: 0.6337473858929241 Energy: 0.5982339193372103 Energy: 0.633747385893989 Energy: 0.5982339193372103 Energy: 0.7759520948783949 Energy: 0.7239697234019605 Energy: 0.7759520948810571 Energy: 0.7239697234035578 Energy: 0.77595209487733 Energy: 0.7239697234046227 Energy: 1.0305251270058675 Energy: 1.0559299293938342 Energy: 1.0305251270079974 Energy: 1.0559299293938342 Energy: 1.0305251270079974 Energy: 1.0559299293933018 Energy: 0.7519462856507161 Energy: 0.538336620014559 Energy: 0.7519462856501835 Energy: 0.5383366200156239 Energy: 0.7519462856507161 Energy: 0.5383366200156239 Energy: 0.5248694682133028 Energy: 0.5784434474689554 Energy: 0.5248694682133028 Energy: 0.5784434474716177 Energy: 0.5248694682127704 Energy: 0.5784434474689554 Energy: 0.7547200017347008 Energy: 0.7353133169502574 Energy: 0.7547200017320628 Energy: 0.7353133169502574 Energy: 0.7547200017331034 Energy: 0.7353133169507897 Energy: 0.5260329375085638 Energy: 0.8939258408074794 Energy: 0.5260329375101611 Energy: 0.8939258408080116 Energy: 0.5260329375101611 Energy: 0.8939258408106497 Energy: 0.510540527537215 Energy: 0.5384561943583296 Energy: 0.5105405275329796 Energy: 0.5384561943588619 Energy: 0.5105405275340444 Energy: 0.5384561943572647 Energy: 0.5313944868800713 Energy: 0.5720484542349966 Energy: 0.5313944868795389 Energy: 0.5720484542349966 Energy: 0.5313944868800713 Energy: 0.572048454236594 Energy: 0.5632295415812323 Energy: 0.8959419287619571 Energy: 0.5632295415822972 Energy: 0.8959419287640868 Energy: 0.5632295415806998 Energy: 0.8959419287614246 Energy: 0.5654210576187144 Energy: 0.8956224562699404 Energy: 0.5654210576203118 Energy: 0.8956224562678107 Energy: 0.5654210576192468 Energy: 0.8956224562710053 Energy: 0.5041706232360793 Energy: 0.7228404842917863 Energy: 0.5041706232382092 Energy: 0.7228404842917863 Energy: 0.5041706232366118 Energy: 0.7228404842907213 Energy: 0.510762515754413 Energy: 0.5763616108493764 Energy: 0.5107625157549455 Energy: 0.5763616108504414 Energy: 0.5107625157533481 Energy: 0.576361610848844 Energy: 0.4963214224537402 Energy: 0.8248793150429857 Energy: 0.4963214224537402 Energy: 0.8248793150429857 Energy: 0.49632142245480515 Energy: 0.8248793150424533 Energy: 0.7514664458623642 Energy: 0.733586299245656 Energy: 0.7514664458634291 Energy: 0.7335862992451236 Energy: 0.7514664458634291 Energy: 0.7335862992451236 Energy: 0.4935230695846355 Energy: 0.7396324371183176 Energy: 0.49352306958516795 Energy: 0.7396324371199149 Energy: 0.4935230695846355 Energy: 0.7396324371204474 Energy: 0.5160361686166236 Energy: 0.5763133846599845 Energy: 0.5160361686166236 Energy: 0.5763133846589197 Energy: 0.5160361686160911 Energy: 0.5763133846594521 Energy: 0.7229564970523474 Energy: 1.1239748057300085 Energy: 0.7229564970512825 Energy: 1.1239748057310732 Energy: 0.7229564970528799 Energy: 1.123974805729476 Energy: 0.9729281679997999 Energy: 0.7240254535184828 Energy: 0.9729281679992674 Energy: 0.7240254535179502 Energy: 0.9729281679997999 Energy: 0.7240254535184828 Energy: 0.5617724672555581 Energy: 0.921641290082196 Energy: 0.5617724672555581 Energy: 0.9216412900816635 Energy: 0.5617724672582203 Energy: 0.921641290082196 Energy: 0.5198945772994779 Energy: 0.922454363107064 Energy: 0.5198945772989453 Energy: 0.9224543631065315 Energy: 0.5198945772994779 Energy: 0.922454363107064 Energy: 0.5452256047188657 Energy: 1.045176691797388 Energy: 0.5452256047178009 Energy: 1.0451766917963232 Energy: 0.5452256047162034 Energy: 1.0451766917989853 Energy: 0.7525538761157906 Energy: 0.5394003670342749 Energy: 0.7525538761152583 Energy: 0.5394003670348073 Energy: 0.7525538761141932 Energy: 0.5394003670353398 Energy: 0.4936092324584534 Energy: 0.9303200403633607 Energy: 0.4936092324589858 Energy: 0.9303200403654904 Energy: 0.49360923245951827 Energy: 0.9303200403633607 Energy: 0.49492033551342623 Energy: 0.9303688080949646 Energy: 0.4949203355176859 Energy: 0.9303688080949646 Energy: 0.49492033551449116 Energy: 0.9303688080949646 Energy: 0.5252918378523993 Energy: 0.5282402732282837 Energy: 0.5252918378523993 Energy: 0.5282402732277514 Energy: 0.5252918378513344 Energy: 0.5282402732298811 Energy: 0.5163750036765857 Energy: 0.5394940459718632 Energy: 0.5163750036765857 Energy: 0.5394940459707983 Energy: 0.5163750036771182 Energy: 0.5394940459713308 Energy: 0.5319514810342524 Energy: 0.9205585352134541 Energy: 0.53195148103372 Energy: 0.9205585352139866 Energy: 0.53195148103372 Energy: 0.9205585352129216 Energy: 0.563289848975071 Energy: 0.9193226830607946 Energy: 0.5632898489777333 Energy: 0.9193226830613269 Energy: 0.5632898489772008 Energy: 0.9193226830618595 Energy: 1.0022370885880711 Energy: 0.4953611133884614 Energy: 1.0022370885880711 Energy: 0.4953611133873965 Energy: 1.0022370885875385 Energy: 0.49536111338686406 Energy: 0.5110993570026577 Energy: 0.7180919338499849 Energy: 0.511099357004255 Energy: 0.7180919338494526 Energy: 0.5110993570026577 Energy: 0.7180919338494526 Energy: 0.5358943586065888 Energy: 0.5658693775758846 Energy: 0.5358943586060563 Energy: 0.5658693775774819 Energy: 0.5358943586065888 Energy: 0.5658693775758846 Energy: 0.49427644159864914 Energy: 0.741049357489021 Energy: 0.4942764416002465 Energy: 0.7410493574895536 Energy: 0.4942764415991816 Energy: 0.7410493574879561 minimum gb energy = 0.4935230695846355 eV minimum distance = 2.3292296554213 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6084368973772237 Energy: 0.5782532375193475 Energy: 0.6084368973775974 Energy: 0.5782532375200948 Energy: 0.6084368973787185 Energy: 0.5782532375189738 Energy: 0.8774595804185049 Energy: 0.4934710412058302 Energy: 0.8774595804173838 Energy: 0.4934710412088196 Energy: 0.8774595804196259 Energy: 0.4934710412069512 Energy: 0.8264080592357664 Energy: 0.8852112653390419 Energy: 0.8264080592380085 Energy: 0.8852112653386682 Energy: 0.8264080592327769 Energy: 0.8852112653360524 Energy: 0.8274288978244037 Energy: 0.5188658868452557 Energy: 0.8274288978307222 Energy: 0.5188658868433873 Energy: 0.8274288978247771 Energy: 0.518865886844882 Energy: 0.5394365395030947 Energy: 1.1011152032056515 Energy: 0.5394365395034684 Energy: 1.1011152032052778 Energy: 0.5394365395023473 Energy: 1.101115203202662 Energy: 0.8319642329196384 Energy: 0.5333700990638857 Energy: 0.8319642329170226 Energy: 0.533370099063512 Energy: 0.8319642329185173 Energy: 0.5333700990650068 Energy: 0.5135731825804977 Energy: 0.5770921640068958 Energy: 0.5135731825808714 Energy: 0.5770921640083905 Energy: 0.5135731825804977 Energy: 0.5770921640068958 Energy: 0.5570771419979205 Energy: 0.5467368992088918 Energy: 0.5570771419938099 Energy: 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0.5503946605879343 Energy: 0.5074466032577275 Energy: 0.6080425015207201 Energy: 0.5074466032562328 Energy: 0.6080425015199727 Energy: 0.5074466032502538 Energy: 0.6080425015214674 Energy: 0.4896220994772758 Energy: 0.8765695635906707 Energy: 0.48962209946609936 Energy: 0.8765695635895497 Energy: 0.48962209945750473 Energy: 0.8765695635906707 Energy: 0.5525389262485482 Energy: 0.792028200387096 Energy: 0.5525389262455928 Energy: 0.7920282003882171 Energy: 0.5525389262455928 Energy: 0.7920282003882171 Energy: 0.507981704008222 Energy: 0.827347888566364 Energy: 0.507981704007101 Energy: 0.8273478885644955 Energy: 0.507981704007101 Energy: 0.8273478885652429 Energy: 1.0974624033913563 Energy: 0.5412389181492907 Energy: 1.0974624033805196 Energy: 0.5412389181526538 Energy: 1.0974624033793985 Energy: 0.5412389181511592 Energy: 0.5285166375099767 Energy: 0.8276061429849983 Energy: 0.5285166375092294 Energy: 0.8276061429894824 Energy: 0.5285166375103504 Energy: 0.8276061429861195 Energy: 0.5960061395325208 Energy: 0.517000616466023 Energy: 0.5960061395347629 Energy: 0.517000616468265 Energy: 0.5960061395343892 Energy: 0.5170006164634072 Energy: 0.5770588523031928 Energy: 0.5251464332603301 Energy: 0.57705885230394 Energy: 0.5251464332603301 Energy: 0.5770588523016981 Energy: 0.5251464332595828 Energy: 0.5367551100555866 Energy: 1.101845386897788 Energy: 0.5367551100559603 Energy: 1.1018453868992828 Energy: 0.5367551100555866 Energy: 1.1018453868989089 Energy: 0.505042508892706 Energy: 0.8811950448853717 Energy: 0.505042508892706 Energy: 0.8811950448857452 Energy: 0.505042508892706 Energy: 0.8811950448853717 Energy: 0.5291934706513781 Energy: 0.5110545747347861 Energy: 0.529193470650257 Energy: 0.5110545747344123 Energy: 0.5291934706536202 Energy: 0.5110545747332913 Energy: 0.5080520806461729 Energy: 1.1082018610836162 Energy: 0.5080520806476676 Energy: 1.1082018610828688 Energy: 0.5080520806450519 Energy: 1.1082018610843636 Energy: 1.1043484660193572 Energy: 0.5247181230521993 Energy: 1.104348466019731 Energy: 0.5247181230589256 Energy: 1.104348466020852 Energy: 0.5247181230510783 Energy: 0.5616547068449724 Energy: 0.5568207440583478 Energy: 0.5616547068457197 Energy: 0.5568207440564793 Energy: 0.561654706841983 Energy: 0.556820744055732 Energy: 0.5616392835096838 Energy: 0.5566631626196888 Energy: 0.5616392835111785 Energy: 0.5566631626174467 Energy: 0.5616392835096838 Energy: 0.5566631626181942 Energy: 1.1042017052491355 Energy: 0.5684606370545825 Energy: 1.1042017052480482 Energy: 0.5684606370557036 Energy: 1.104201705248422 Energy: 0.5684606370538351 Energy: 0.5080218911480758 Energy: 1.1081733741768884 Energy: 0.508021891143218 Energy: 1.1081733741776356 Energy: 0.5080218911435916 Energy: 1.1081733741757673 Energy: 0.5290833730636418 Energy: 0.5109390029958181 Energy: 0.5290833730621471 Energy: 0.5109390029980602 Energy: 0.5290833730636418 Energy: 0.5109390029950707 Energy: 0.5050201556523547 Energy: 0.8812813935616239 Energy: 0.505020155653102 Energy: 0.8812813935605028 Energy: 0.5050201556545969 Energy: 0.8812813935601292 Energy: 0.536788981709375 Energy: 1.101878576926701 Energy: 0.5367889817086277 Energy: 1.1018785769259534 Energy: 0.5367889817112433 Energy: 1.10187857692558 Energy: 0.5768945482049566 Energy: 0.5253345178423982 Energy: 0.5768945481959883 Energy: 0.5253345178442667 Energy: 0.5768945481967356 Energy: 0.525334517846101 Energy: 0.5967058146787942 Energy: 0.5169449764825679 Energy: 0.5967058146810365 Energy: 0.5169449764784575 Energy: 0.5967058146765521 Energy: 0.5169449764795786 Energy: 0.5285331822517378 Energy: 0.8277476134323408 Energy: 0.528533182250617 Energy: 0.8277476134286039 Energy: 0.5285331822509906 Energy: 0.8277476134271091 Energy: 1.097461185011427 Energy: 0.5415440119899586 Energy: 1.097461185011427 Energy: 0.5415440119903324 Energy: 1.097461185010306 Energy: 0.541544011990706 Energy: 0.508118251008229 Energy: 0.8276288903590786 Energy: 0.5081182510160763 Energy: 0.8276288903616944 Energy: 0.5081182510123394 Energy: 0.8276288903631891 Energy: 0.5524130150853307 Energy: 0.7920708280306007 Energy: 0.552413015083836 Energy: 0.7920708280302269 Energy: 0.552413015083836 Energy: 0.7920708280298534 Energy: 0.48963360775024106 Energy: 0.8765901675325392 Energy: 0.4896336077513621 Energy: 0.8765901675344074 Energy: 0.4896336077550989 Energy: 0.8765901675299234 minimum gb energy = 0.48962209945750473 eV minimum distance = 2.32868000191197 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.7121795023035418 Energy: 0.6146511554137218 Energy: 0.7121795023043079 Energy: 0.6146511554149705 Energy: 0.7121795023035418 Energy: 0.6146511554137218 Energy: 0.6621928549952291 Energy: 0.5547774787067001 Energy: 0.6621928549969601 Energy: 0.5547774787079489 Energy: 0.6621928549957115 Energy: 0.5547774787069556 Energy: 0.8622513646194989 Energy: 0.7342641752583766 Energy: 0.7912666723655997 Energy: 0.7342641752576103 Energy: 0.7912666723676147 Energy: 0.7342641752546305 Energy: 0.6621923944471325 Energy: 0.5547803202851489 Energy: 0.6621923944478987 Energy: 0.5547803202856598 Energy: 0.6621923944463945 Energy: 0.5547803202859152 Energy: 0.7121795023037971 Energy: 0.6146511554149705 Energy: 0.7121795023030594 Energy: 0.6146511554144597 Energy: 0.7121795023040526 Energy: 0.6146511554142042 Energy: 0.6621928549969601 Energy: 0.554777478707211 Energy: 0.6621928549952291 Energy: 0.5547774787044583 Energy: 0.6621928549952291 Energy: 0.5547774787047136 Energy: 0.586402469819077 Energy: 0.7342641752578658 Energy: 0.5864024698165796 Energy: 0.7342641752576103 Energy: 0.862251364620492 Energy: 0.7342641752576103 minimum gb energy = 0.5547774787044583 eV minimum distance = 2.33846233604387 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.8181099339708462 Energy: 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0.9233815389271668 Energy: 0.7571983209146698 Energy: 0.8107318875400523 Energy: 0.8985478829822631 Energy: 0.8107318875400523 Energy: 0.8985478829828359 Energy: 0.8107318875406253 Energy: 0.8985478829811172 Energy: 0.8795880366280856 Energy: 0.7452403059388708 Energy: 0.8795880366269397 Energy: 0.745240305937725 Energy: 0.8795880366298043 Energy: 0.7452403059394437 Energy: 0.8425385673887901 Energy: 0.8083392379913037 Energy: 0.8425385673870713 Energy: 0.8083392379913037 Energy: 0.8425385673887901 Energy: 0.808339237989585 Energy: 0.8035010975937693 Energy: 0.7944842888829909 Energy: 0.8035010975931962 Energy: 0.7944842888835639 Energy: 0.8035010975920504 Energy: 0.794484288880699 Energy: 0.8046034870732689 Energy: 0.7778298245888311 Energy: 0.8046034870732689 Energy: 0.7778298245876852 Energy: 0.8046034870732689 Energy: 0.7778298245888311 minimum gb energy = 0.6769433612194892 eV minimum distance = 2.28513405432201 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.8033241591418827 Energy: 0.665459227510754 Energy: 0.8033241591426248 Energy: 0.6654592275070448 Energy: 0.8033241591433666 Energy: 0.6654592275048193 Energy: 0.7309333923125972 Energy: 0.629105959505686 Energy: 0.7309333923125972 Energy: 0.629105959510137 Energy: 0.7309333923118554 Energy: 0.629105959510137 Energy: 0.7194274079365396 Energy: 0.8748644760268376 Energy: 0.7194274079372814 Energy: 0.8748644760283214 Energy: 0.7194274079343141 Energy: 0.8748644760283214 Energy: 1.1978695161594475 Energy: 0.7496568718612939 Energy: 1.1978695161601893 Energy: 0.7496568718612939 Energy: 1.1978695161594475 Energy: 0.7496568718612939 Energy: 0.6674068819344757 Energy: 0.8587392866881353 Energy: 0.6674068819396349 Energy: 0.8587392866881353 Energy: 0.6674068819329921 Energy: 0.8587392866873932 Energy: 0.7758605652845671 Energy: 0.6292538244127585 Energy: 0.7758605652860509 Energy: 0.629253824414984 Energy: 0.7758605652845671 Energy: 0.6292538244135003 Energy: 0.7601438462631552 Energy: 0.7854307710912651 Energy: 0.7601438462646388 Energy: 0.7854307710912651 Energy: 0.7601438462646388 Energy: 0.7854307710934906 Energy: 0.8043022787576841 Energy: 0.6642578468752175 Energy: 0.8043022787450728 Energy: 0.6642578468744755 Energy: 0.8043022787524913 Energy: 0.6642578468752175 Energy: 0.6911767738371986 Energy: 0.6298912839728213 Energy: 0.6911767738423914 Energy: 0.6298912839668865 Energy: 0.6911767738379404 Energy: 0.6298912839639194 Energy: 0.594281919360082 Energy: 0.7477620079810696 Energy: 0.594281919365275 Energy: 0.7477620079825534 Energy: 0.5942819193578566 Energy: 0.7477620079840371 Energy: 0.7614431705095327 Energy: 0.7511421189919446 Energy: 0.7614431705110164 Energy: 0.7511421189919446 Energy: 0.7614431705095327 Energy: 0.7511421189904609 Energy: 0.6920636182739794 Energy: 0.8019085483398434 Energy: 0.6920636182739794 Energy: 0.801908548341327 Energy: 0.6920636182739794 Energy: 0.8019085483442944 Energy: 0.7152668516212134 Energy: 0.6295835650885072 Energy: 0.7152668516226972 Energy: 0.6295835650892491 Energy: 0.7152668516212134 Energy: 0.6295835650944419 Energy: 0.799265425492679 Energy: 0.6373561587833738 Energy: 0.799265425492679 Energy: 0.6373561587848575 Energy: 0.7992654254919374 Energy: 0.6373561587841158 Energy: 0.7555317261324779 Energy: 0.6343392103640693 Energy: 0.7555317261332197 Energy: 0.6343392103729714 Energy: 0.7555317261324779 Energy: 0.6343392103677784 Energy: 0.6889460180347298 Energy: 0.6894624908667438 Energy: 0.6889460180339878 Energy: 0.6894624908645182 Energy: 0.6889460180339878 Energy: 0.6894624908667438 Energy: 0.5927718390197761 Energy: 0.7301955883657357 Energy: 0.5927718390234853 Energy: 0.7301955883649939 Energy: 0.5927718390227434 Energy: 0.7301955883679613 Energy: 0.7594115974561625 Energy: 0.5924363644992683 Energy: 0.7594115974620973 Energy: 0.5924363645000101 Energy: 0.7594115974569045 Energy: 0.5924363644985264 Energy: 0.5927873678445831 Energy: 0.7302283848410979 Energy: 0.5927873678393902 Energy: 0.7302283848410979 Energy: 0.5927873678408738 Energy: 0.7302283848418396 Energy: 0.6889873020275852 Energy: 0.6893539323096858 Energy: 0.6889873020268434 Energy: 0.6893539323119113 Energy: 0.6889873020261015 Energy: 0.6893539323119113 Energy: 0.7556603273973685 Energy: 0.6347619537520455 Energy: 0.7556603273981105 Energy: 0.6347619537475946 Energy: 0.7556603273981105 Energy: 0.6347619537557548 Energy: 0.7992919687454733 Energy: 0.7353303315830785 Energy: 0.7992919687454733 Energy: 0.7353303315830785 Energy: 0.7992919687447313 Energy: 0.7353303315823365 Energy: 0.7153517297528313 Energy: 0.6294858540394352 Energy: 0.7153517297484141 Energy: 0.6294858540372097 Energy: 0.7153517297513478 Energy: 0.6294858540409188 Energy: 0.6927755810564297 Energy: 0.8013023800063085 Energy: 0.692775581054946 Energy: 0.8013023800025991 Energy: 0.6927755810571714 Energy: 0.8013023800033411 minimum gb energy = 0.5924363644985264 eV minimum distance = 2.30743988568612 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.9074567715497028 Energy: 0.6724634235220964 Energy: 0.9074567715507521 Energy: 0.6724634235220964 Energy: 0.9074567715507521 Energy: 0.6724634235210473 Energy: 0.7236529234795422 Energy: 0.6388041492796542 Energy: 0.723652923478493 Energy: 0.6388041492807034 Energy: 0.7236529234795422 Energy: 0.6388041492807034 Energy: 0.7520276156769434 Energy: 0.795187974571091 Energy: 0.7520276156769434 Energy: 0.7951879745731893 Energy: 0.7520276156769434 Energy: 0.795187974571091 Energy: 0.6955999614604281 Energy: 0.746639271969297 Energy: 0.6955999614604281 Energy: 0.7466392719713953 Energy: 0.695599961459379 Energy: 0.746639271969297 Energy: 0.799593473977271 Energy: 0.8456981204493773 Energy: 0.7995934739783203 Energy: 0.8456981204504266 Energy: 0.799593473977271 Energy: 0.8456981204504266 Energy: 0.6623143851870665 Energy: 0.742990111485028 Energy: 0.6623143851860174 Energy: 0.742990111485028 Energy: 0.6623143851860174 Energy: 0.742990111485028 Energy: 0.7257332434430092 Energy: 0.7985907965430111 Energy: 0.72573324344196 Energy: 0.7985907965430111 Energy: 0.7257332434409108 Energy: 0.7985907965430111 Energy: 0.6954812433553978 Energy: 0.8467603597940028 Energy: 0.695481243356447 Energy: 0.8467603597919046 Energy: 0.6954812433553978 Energy: 0.8467603597940028 Energy: 0.6895927490672873 Energy: 0.7572617088007736 Energy: 0.6895927490672873 Energy: 0.7572617088007736 Energy: 0.6895927490672873 Energy: 0.7572617087997244 Energy: 0.678934213249589 Energy: 0.6301270735513285 Energy: 0.678934213249589 Energy: 0.6301270735502794 Energy: 0.67893421324854 Energy: 0.6301270735513285 Energy: 0.6769315288983211 Energy: 0.6449831887805886 Energy: 0.6769315288962229 Energy: 0.6449831887795396 Energy: 0.6769315288972718 Energy: 0.6449831887784905 Energy: 0.7053253252357475 Energy: 0.7559971130938599 Energy: 0.7053253252367967 Energy: 0.7559971130980325 Energy: 0.7053253252378459 Energy: 0.7559971130990817 Energy: 0.5729763048734416 Energy: 0.7414993322334374 Energy: 0.5729763048723927 Energy: 0.7414993322355357 Energy: 0.5729763048734416 Energy: 0.7414993322344866 Energy: 0.6874724331390192 Energy: 0.6946236650033017 Energy: 0.687472433137994 Energy: 0.6946236650043508 Energy: 0.6874724331400683 Energy: 0.6946236650043508 Energy: 0.661650155543546 Energy: 0.6862126812975515 Energy: 0.661650155542497 Energy: 0.6862126812965024 Energy: 0.6616501555414478 Energy: 0.6862126812965024 Energy: 0.6610973911213991 Energy: 0.9884691194544196 Energy: 0.6610973911203499 Energy: 0.9884691194533705 Energy: 0.6610973911203499 Energy: 0.9884691194533705 Energy: 0.6859963676919311 Energy: 0.6945600435460004 Energy: 0.6859963676908819 Energy: 0.6945600435480986 Energy: 0.6859963676919311 Energy: 0.6945600435491478 minimum gb energy = 0.5729763048723927 eV minimum distance = 2.29800074692934 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.8525879705514877 Energy: 0.5555624210135389 Energy: 0.8525879705506775 Energy: 0.5555624210155646 Energy: 0.8525879705514877 Energy: 0.5555624210143492 Energy: 0.6692918786442177 Energy: 0.5505414778463897 Energy: 0.6692918786425973 Energy: 0.5505414778480103 Energy: 0.6692918786430024 Energy: 0.5505414778484155 Energy: 0.6231993217985851 Energy: 0.5899214085603298 Energy: 0.6231993217977748 Energy: 0.5899214085611401 Energy: 0.6231993217981799 Energy: 0.5899214085591143 Energy: 0.6484836514776062 Energy: 0.590607528544566 Energy: 0.6484836514792268 Energy: 0.5906075285429455 Energy: 0.6484836514776062 Energy: 0.5906075285437558 Energy: 0.8512686245939929 Energy: 0.5308866118544139 Energy: 0.8512686245939929 Energy: 0.5308866118552242 Energy: 0.8512686245960186 Energy: 0.5308866118625166 Energy: 0.5759758610070824 Energy: 0.5687772684001531 Energy: 0.5759758610074875 Energy: 0.5687772684013684 Energy: 0.5759758610062722 Energy: 0.5687772684009632 Energy: 0.8023596237692125 Energy: 0.5472829853183769 Energy: 0.8023596237692125 Energy: 0.5472829853199975 Energy: 0.8023596237700228 Energy: 0.5472829853191873 Energy: 0.7345869089122595 Energy: 0.725285641896678 Energy: 0.7345869089118544 Energy: 0.7252856418999188 Energy: 0.7345869089126648 Energy: 0.7252856419019446 Energy: 0.7190450405411367 Energy: 0.6178664068563396 Energy: 0.7190450405403266 Energy: 0.6178664068563396 Energy: 0.7190450405403266 Energy: 0.6178664068567448 Energy: 0.5642244354243051 Energy: 0.48431334164036405 Energy: 0.5642244354234948 Energy: 0.48431334164036405 Energy: 0.5642244354239 Energy: 0.48431334163995887 Energy: 0.6473242632024152 Energy: 0.7099366799033686 Energy: 0.6473242632020102 Energy: 0.7099366799057995 Energy: 0.6473242632036307 Energy: 0.7099366799037737 Energy: 0.6355884480333605 Energy: 0.6978760039297089 Energy: 0.6355884480333605 Energy: 0.6978760039305193 Energy: 0.6355884480321451 Energy: 0.697876003926873 Energy: 0.5904487406781312 Energy: 0.5873906137472397 Energy: 0.5904487406797518 Energy: 0.5873906137525065 Energy: 0.5904487406813724 Energy: 0.587390613748455 Energy: 0.5973600558754223 Energy: 0.5589503852227392 Energy: 0.5973600558770429 Energy: 0.558950385221929 Energy: 0.5973600558750172 Energy: 0.558950385225575 Energy: 0.6130701010278907 Energy: 0.6982124745471693 Energy: 0.6130701010250548 Energy: 0.698212474549195 Energy: 0.6130701010274856 Energy: 0.6982124745496001 Energy: 0.5131975151999072 Energy: 0.5991919135437827 Energy: 0.5131975151995021 Energy: 0.5991919135429725 Energy: 0.5131975151982867 Energy: 0.5991919135449981 Energy: 0.5953625200948728 Energy: 0.5728454419335823 Energy: 0.5953625200928472 Energy: 0.5728454419331771 Energy: 0.5953625200924421 Energy: 0.5728454419315567 Energy: 0.6276409296308879 Energy: 0.5946799779694362 Energy: 0.6276409296329136 Energy: 0.5946799779706516 Energy: 0.6276409296333186 Energy: 0.5946799779661951 Energy: 0.5781438873300799 Energy: 0.8069344354502286 Energy: 0.5781438873341312 Energy: 0.8069344354482028 Energy: 0.5781438873333209 Energy: 0.8069344354482028 Energy: 0.5945940976558248 Energy: 0.641787827301873 Energy: 0.5945940976558248 Energy: 0.603936220023153 Energy: 0.5945940976546095 Energy: 0.6143145027718431 Energy: 0.5781205986754566 Energy: 0.8069654099627596 Energy: 0.5781205986758617 Energy: 0.8069654099635698 Energy: 0.5781205986778875 Energy: 0.8069654099627596 Energy: 0.6275016452558357 Energy: 0.5956329879629982 Energy: 0.6275016452542151 Energy: 0.5956329879642137 Energy: 0.6275016452554305 Energy: 0.5956329879638085 Energy: 0.5951860000582612 Energy: 0.5727263340073444 Energy: 0.595186000057856 Energy: 0.5727263340077495 Energy: 0.5951860000582612 Energy: 0.5727263340069392 Energy: 0.5130816226153363 Energy: 0.6500675728489684 Energy: 0.5130816226177671 Energy: 0.6500675728497787 Energy: 0.5130816226137158 Energy: 0.6500675728485633 Energy: 0.6130431542465727 Energy: 0.6985015245431011 Energy: 0.6130431542437369 Energy: 0.6985015245418857 Energy: 0.6130431542461676 Energy: 0.6985015245439115 Energy: 0.5974153933365006 Energy: 0.5591086505464996 Energy: 0.5974153933360955 Energy: 0.5591086505485254 Energy: 0.5974153933352851 Energy: 0.559108650544916 Energy: 0.5908544662023427 Energy: 0.5873295966572225 Energy: 0.5908544662023427 Energy: 0.5873295966551967 Energy: 0.5908544662015325 Energy: 0.587329596658843 Energy: 0.6355846436491773 Energy: 0.6977220929221434 Energy: 0.6355846436499877 Energy: 0.6977220929221434 Energy: 0.6355846436503928 Energy: 0.6977220929193075 Energy: 0.6475510676056007 Energy: 0.7100897017031027 Energy: 0.647551067606816 Energy: 0.7100897017039131 Energy: 0.647551067606816 Energy: 0.7100897017035078 Energy: 0.5642114587894371 Energy: 0.5386571720371698 Energy: 0.5642114587894371 Energy: 0.5386571720375748 Energy: 0.5642114587890319 Energy: 0.5574166791182137 Energy: 0.71893888795321 Energy: 0.6180515687964512 Energy: 0.7189388879528048 Energy: 0.6180515687976667 Energy: 0.7189388879519946 Energy: 0.6180515687960461 Energy: 0.7345022126905354 Energy: 0.7251541567332516 Energy: 0.7345022126913457 Energy: 0.7251541567324413 Energy: 0.7345022126905354 Energy: 0.7251541567340619 Energy: 0.8022392932675839 Energy: 0.5470621142498391 Energy: 0.8022392932659633 Energy: 0.5470621142506493 Energy: 0.8022392932675839 Energy: 0.5470621142514595 Energy: 0.5760130542573229 Energy: 0.567459448747406 Energy: 0.5760130542565126 Energy: 0.5496051168217202 Energy: 0.5760130542557023 Energy: 0.5674594487461906 Energy: 0.8513798609723959 Energy: 0.5310438117964722 Energy: 0.8513798609732062 Energy: 0.531043811795662 Energy: 0.8513798609744214 Energy: 0.531043811795662 Energy: 0.6485253275830842 Energy: 0.5718687363752487 Energy: 0.6485253275830842 Energy: 0.5718687363780847 Energy: 0.6485253275834892 Energy: 0.5718687363764641 Energy: 0.6233075987051104 Energy: 0.5899455258018859 Energy: 0.6233075987051104 Energy: 0.5899455258031013 Energy: 0.6233075987063259 Energy: 0.5899455258039116 Energy: 0.6693705442376964 Energy: 0.5494410569489792 Energy: 0.6693705442372911 Energy: 0.5494410569501944 Energy: 0.6693705442385066 Energy: 0.5494410569497894 Energy: 0.8525879705498671 Energy: 0.5555624210119184 Energy: 0.8525879705478415 Energy: 0.5555624210115133 Energy: 0.8525879705498671 Energy: 0.5555624210123237 Energy: 0.6692918786446229 Energy: 0.5687135021907102 Energy: 0.6692918786421921 Energy: 0.5687135021903049 Energy: 0.6692918786425973 Energy: 0.5687135021915204 Energy: 0.6231993217977748 Energy: 0.5899214085591143 Energy: 0.6231993217977748 Energy: 0.5899214085595195 Energy: 0.6231993217985851 Energy: 0.5899214085578989 Energy: 0.6484836514767961 Energy: 0.5718960157964308 Energy: 0.6484836514751755 Energy: 0.5718960157956205 Energy: 0.6484836514767961 Energy: 0.5718960157964308 Energy: 0.8512686245956134 Energy: 0.5308866118596807 Energy: 0.851268624597234 Energy: 0.5308866118564396 Energy: 0.8512686245960186 Energy: 0.5308866118540088 minimum gb energy = 0.48431334163995887 eV minimum distance = 2.32821812652657 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5557220857541043 Energy: 0.47846123184519934 Energy: 0.5557220857554236 Energy: 0.47846123184585904 Energy: 0.5557220857547639 Energy: 0.4784612318465187 Energy: 0.5624687745016842 Energy: 0.46972844309499184 Energy: 0.5624687745036631 Energy: 0.4697284430963112 Energy: 0.5624687745016842 Energy: 0.4697284430956515 Energy: 0.5333927947208532 Energy: 0.5135757215505751 Energy: 0.5333927947201935 Energy: 0.5135757215532138 Energy: 0.5333927947189342 Energy: 0.5135757215512349 Energy: 0.5917785758889316 Energy: 0.5310080174090024 Energy: 0.5917785758849735 Energy: 0.5310080174096621 Energy: 0.5917785758895912 Energy: 0.5310080174096621 Energy: 0.4732031797809399 Energy: 0.4499970624281429 Energy: 0.47320317978489784 Energy: 0.4499970624274833 Energy: 0.4732031797822593 Energy: 0.4499970624274833 Energy: 0.5128397783825097 Energy: 0.46915008486023496 Energy: 0.5128397783825097 Energy: 0.46915008486287363 Energy: 0.51283977838185 Energy: 0.46915008485759635 Energy: 0.5498765784998467 Energy: 0.625864697558376 Energy: 0.5498765784978678 Energy: 0.6258646975603549 Energy: 0.5498765784945694 Energy: 0.6258646975590356 Energy: 0.624901910284443 Energy: 0.6075421909108955 Energy: 0.624901910282464 Energy: 0.6075421909075972 Energy: 0.624901910284443 Energy: 0.6075421909075972 Energy: 0.5830038887874305 Energy: 0.4700108101888552 Energy: 0.5830038887874305 Energy: 0.4700108101908342 Energy: 0.5830038887874305 Energy: 0.47001081018687624 Energy: 0.4828351349190537 Energy: 0.47754877520594813 Energy: 0.482835134922352 Energy: 0.4775487752039691 Energy: 0.4828351349197134 Energy: 0.47754877520594813 Energy: 0.552710782843227 Energy: 0.6484762571237344 Energy: 0.552710782847185 Energy: 0.6484762571164782 Energy: 0.5527107828425674 Energy: 0.6484762571171377 Energy: 0.48000688817478704 Energy: 0.5558115172739736 Energy: 0.4800068881754466 Energy: 0.5558115172752929 Energy: 0.4800068881754466 Energy: 0.5558115172733139 Energy: 0.48104817213730405 Energy: 0.5654721167549663 Energy: 0.4810481721346654 Energy: 0.5654721167536472 Energy: 0.4810481721406023 Energy: 0.565472116755626 Energy: 0.4811010585292813 Energy: 0.5995930625423852 Energy: 0.48110105852730234 Energy: 0.5995930625404063 Energy: 0.481101058527962 Energy: 0.5995930625423852 Energy: 0.5412333949742195 Energy: 0.6311542639248577 Energy: 0.5412333949768581 Energy: 0.6311542639228789 Energy: 0.5412333949742195 Energy: 0.6311542639307947 Energy: 0.4966567068132724 Energy: 0.5663499867271555 Energy: 0.49665670681393204 Energy: 0.5663499867330924 Energy: 0.49665670681063373 Energy: 0.5663499867284748 Energy: 0.512241566894558 Energy: 0.5513812044682744 Energy: 0.5122415668958773 Energy: 0.5513812044676147 Energy: 0.5122415668938983 Energy: 0.5513812044676147 Energy: 0.5085768970340795 Energy: 0.6316134039488566 Energy: 0.5085768970340795 Energy: 0.6316134039455582 Energy: 0.5085768970294618 Energy: 0.6316134039462179 Energy: 0.4525453162079446 Energy: 0.5177925398075095 Energy: 0.4525453162027273 Energy: 0.5177925398220219 Energy: 0.4525453162079446 Energy: 0.5177925398121271 Energy: 0.4801348863154117 Energy: 0.5118391549768349 Energy: 0.4801348863140924 Energy: 0.511839154974856 Energy: 0.48013488631673096 Energy: 0.5118391549761753 Energy: 0.6240452332189161 Energy: 0.5143663004412995 Energy: 0.6240452332189161 Energy: 0.5143663004360223 Energy: 0.6240452332195757 Energy: 0.5143663004340434 Energy: 0.42771319706731575 Energy: 0.6897581392116746 Energy: 0.42771319706599636 Energy: 0.6897581392143133 Energy: 0.42771319706467714 Energy: 0.6897581392123344 Energy: 0.5114926165348436 Energy: 0.4742978982742874 Energy: 0.5114926165302259 Energy: 0.47429789827626645 Energy: 0.5114926165335243 Energy: 0.4742978982742874 Energy: 0.48076895211634224 Energy: 0.7200038531278634 Energy: 0.48076895211766146 Energy: 0.720003853128523 Energy: 0.48076895211436327 Energy: 0.7200038531298423 Energy: 0.4830661732381864 Energy: 0.6356802161937849 Energy: 0.48306617323950585 Energy: 0.6356802161924655 Energy: 0.48306617324016543 Energy: 0.6356802161951042 Energy: 0.4805734748689445 Energy: 0.47472230065879256 Energy: 0.4805734748643269 Energy: 0.4747223006607716 Energy: 0.4805734748630075 Energy: 0.4747223006581329 Energy: 0.435452446269966 Energy: 0.518195018876697 Energy: 0.4354524462706256 Energy: 0.5181950188806549 Energy: 0.4354524462686467 Energy: 0.5181950188806549 minimum gb energy = 0.42771319706467714 eV minimum distance = 2.3099480027173 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.60954639840289 Energy: 0.4759670709499611 Energy: 0.60954639840289 Energy: 0.4759670709499611 Energy: 0.6095463984038514 Energy: 0.47596707094803853 Energy: 0.5229471695498223 Energy: 0.4942556939791903 Energy: 0.5229471695416518 Energy: 0.49425569397774843 Energy: 0.5229471695445355 Energy: 0.4942556939791903 Energy: 0.5029433060208341 Energy: 0.5547023014813337 Energy: 0.5029433060213149 Energy: 0.55470230147845 Energy: 0.5029433060208341 Energy: 0.55470230147845 Energy: 0.5559664025562843 Energy: 0.49476216159776604 Energy: 0.5559664025562843 Energy: 0.4947621615987273 Energy: 0.5559664025572456 Energy: 0.4947621616006499 Energy: 0.5115104760823236 Energy: 0.4556677660824082 Energy: 0.5115104760828041 Energy: 0.4556677660828887 Energy: 0.5115104760832847 Energy: 0.45566776608336945 Energy: 0.48047788030388633 Energy: 0.4706954474792113 Energy: 0.4804778803043669 Energy: 0.4706954474806532 Energy: 0.4804778803053281 Energy: 0.47069544748113384 Energy: 0.621451313055027 Energy: 0.5649605373832869 Energy: 0.6214513130555075 Energy: 0.564960537381845 Energy: 0.621451313055027 Energy: 0.5649605373813643 Energy: 0.6700623826165945 Energy: 0.43735259365441254 Energy: 0.6700623826175557 Energy: 0.4373525936587382 Energy: 0.6700623826175557 Energy: 0.43735259365729634 Energy: 0.4448721765693235 Energy: 0.4579039839453909 Energy: 0.4448721765693235 Energy: 0.4579039839453909 Energy: 0.44487217656884276 Energy: 0.4579039839449103 Energy: 0.6978652631437758 Energy: 0.5300312823047524 Energy: 0.6978652631437758 Energy: 0.5300312823028299 Energy: 0.6978652631432952 Energy: 0.5300312823023492 Energy: 0.5939202333969359 Energy: 0.49852108613279833 Energy: 0.5939202333964553 Energy: 0.498521086137124 Energy: 0.5939202333978971 Energy: 0.49852108613183704 Energy: 0.42061234818427884 Energy: 0.4589875761583636 Energy: 0.4206123481837983 Energy: 0.4589875761780694 Energy: 0.4206123481837983 Energy: 0.4589875761670149 Energy: 0.5223773760270685 Energy: 0.41318201797681475 Energy: 0.5223773760280298 Energy: 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Energy: 0.4382399453343468 Energy: 0.5279040472111302 Energy: 0.4985642222977095 Energy: 0.5010836760920312 Energy: 0.49856422229194197 Energy: 0.5010836760915506 Energy: 0.49856422232217784 Energy: 0.5010836760901087 Energy: 0.5066884028117328 Energy: 0.644974791074772 Energy: 0.5066884028107715 Energy: 0.6449747910762139 Energy: 0.5066884028126941 Energy: 0.6449747910771751 Energy: 0.49385025167705815 Energy: 0.5465636982102683 Energy: 0.49385025168570945 Energy: 0.5465636982097876 Energy: 0.49385025168186436 Energy: 0.5465636982088263 Energy: 0.49793909668936803 Energy: 0.5079524109932511 Energy: 0.49793909668936803 Energy: 0.5079524109922898 Energy: 0.4979390966936937 Energy: 0.5079524109951736 Energy: 0.5397562955010016 Energy: 0.5620199759742973 Energy: 0.539756295501482 Energy: 0.562019975974778 Energy: 0.5397562955029239 Energy: 0.5620199759762199 Energy: 0.5133009862960215 Energy: 0.5352261639230654 Energy: 0.513300986295541 Energy: 0.5352261639225848 Energy: 0.513300986295541 Energy: 0.5352261639225848 Energy: 0.45329117384552703 Energy: 0.48721560703673816 Energy: 0.45329117384552703 Energy: 0.4872156070357769 Energy: 0.4532911738440851 Energy: 0.48721560703625755 Energy: 0.4758982522135861 Energy: 0.5150131327047901 Energy: 0.4800955675169346 Energy: 0.5150131327043094 Energy: 0.47589825221262483 Energy: 0.5150131327028675 Energy: 0.423767148165566 Energy: 0.6369891319053143 Energy: 0.4237671481583566 Energy: 0.6369891319062754 Energy: 0.42376714816027905 Energy: 0.6369891319062754 Energy: 0.45126814459011516 Energy: 0.4421694762074788 Energy: 0.45126814459011516 Energy: 0.44216947620795943 Energy: 0.4512681445905958 Energy: 0.44216947620844016 Energy: 0.5200876927142803 Energy: 0.5595047899967196 Energy: 0.5200876927137997 Energy: 0.5595047899986422 Energy: 0.5200876927142803 Energy: 0.5595047899981616 Energy: 0.4356303284750543 Energy: 0.6600951742253273 Energy: 0.4356303284745737 Energy: 0.6600951742253273 Energy: 0.4356303284731318 Energy: 0.660095174225808 Energy: 0.4519646606204772 Energy: 0.4150114655902077 Energy: 0.45196466062576407 Energy: 0.4150114655916496 Energy: 0.45196466062432217 Energy: 0.41501146559068836 Energy: 0.41698662227476196 Energy: 0.6754089199608702 Energy: 0.41698662227476196 Energy: 0.6754089199603894 Energy: 0.41698662227476196 Energy: 0.6754089199603894 Energy: 0.5180128862253098 Energy: 0.5632711393818819 Energy: 0.5180128862257904 Energy: 0.56327113938044 Energy: 0.5180128862262711 Energy: 0.5632711393828431 Energy: 0.47816064487321236 Energy: 0.4930846173247135 Energy: 0.4781606448717704 Energy: 0.4930846173242328 Energy: 0.4781606448712898 Energy: 0.4930846173251941 Energy: 0.3783898071594282 Energy: 0.49231372400732004 Energy: 0.3783898071646714 Energy: 0.49231372400683954 Energy: 0.37838980716274895 Energy: 0.4923137240082814 minimum gb energy = 0.3783898071594282 eV minimum distance = 2.23893769525496 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.16857272291713488 Energy: 0.20105216451937766 Energy: -0.06201296521888327 Energy: 0.2010521645197389 Energy: 0.16857272291713488 Energy: 0.20105216451955826 Energy: 0.5399537152437164 Energy: -0.06071649423149391 Energy: 0.5399537152442382 Energy: -0.060716494233259845 Energy: 0.5399537152437164 Energy: -0.06071649423502579 Energy: 0.5177956055185923 Energy: -0.061330519381510774 Energy: 0.5177956055192946 Energy: -0.0613305193832767 Energy: 0.5177956055187729 Energy: -0.061330519381510774 Energy: -0.06201296521888327 Energy: 0.20105216451955826 Energy: -0.06201296521888327 Energy: 0.20105216451937766 Energy: -0.06201296521888327 Energy: 0.20105216451937766 Energy: 0.5399537152435359 Energy: -0.06071649425445114 Energy: 0.5399537152435359 Energy: -0.06071649425621708 Energy: 0.5399537152438769 Energy: -0.06071649425091925 Energy: 0.5177956055199969 Energy: -0.0613305193832767 Energy: 0.5177956055194752 Energy: -0.0613305193832767 Energy: 0.5177956055194752 Energy: -0.0613305193832767 Energy: 0.1685727229169543 Energy: 0.20105216451955826 Energy: -0.06201296521888327 Energy: 0.20105216451955826 Energy: 0.1685727229164325 Energy: 0.20105216451937766 Energy: 0.5399537152435359 Energy: -0.06071649427211053 Energy: 0.5399537152433551 Energy: -0.06071649427738828 Energy: 0.5399537152431746 Energy: -0.06071649427738828 Energy: 0.5177956055194752 Energy: -0.061330519381510774 Energy: 0.5177956055194752 Energy: -0.061330519381510774 Energy: 0.5177956055194752 Energy: -0.0613305193832767 Energy: -0.06201296521711733 Energy: 0.20105216451955826 Energy: -0.06201296521888327 Energy: 0.20105216451955826 Energy: -0.06201296521888327 Energy: 0.20105216451989943 minimum gb energy = -0.06201296521888327 eV minimum distance = 2.47010437886626 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.44214567032859603 Energy: 0.44072094336399764 Energy: 0.44214567032436836 Energy: 0.4407209433629407 Energy: 0.44214567032436836 Energy: 0.44072094336241224 Energy: 0.41142227667133785 Energy: 0.4333991010078498 Energy: 0.41142227666658165 Energy: 0.43339910100679285 Energy: 0.41142227667133785 Energy: 0.43339910100996365 Energy: 0.4247544384827072 Energy: 0.4285203825956389 Energy: 0.4247544384832357 Energy: 0.42852038259299663 Energy: 0.42475443848217875 Energy: 0.42852038259405356 Energy: 0.46406519381417605 Energy: 0.41343660222977446 Energy: 0.46406519381206224 Energy: 0.41343660222977446 Energy: 0.4640651938152331 Energy: 0.413436602229246 Energy: 0.3490958345645813 Energy: 0.5498125615768964 Energy: 0.3490958345645813 Energy: 0.5498125615779533 Energy: 0.349095834562996 Energy: 0.5498125615784817 Energy: 0.41294500012200375 Energy: 0.5305762223748617 Energy: 0.4129450001193614 Energy: 0.5305762223753901 Energy: 0.4129450001209468 Energy: 0.5305762223753901 Energy: 0.4354002386811966 Energy: 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Energy: 0.5480129843495545 Energy: 0.4849307454780629 Energy: 0.5480129843506114 Energy: 0.4849307454780629 Energy: 0.39768246105336974 Energy: 0.44487975493981025 Energy: 0.39768246105231286 Energy: 0.4448797549387533 Energy: 0.39768246105336974 Energy: 0.44487975494033877 Energy: 0.457714636919492 Energy: 0.5438928980298234 Energy: 0.4577146369189635 Energy: 0.5438928980282381 Energy: 0.457714636919492 Energy: 0.5438928980292951 Energy: 0.6734823799057825 Energy: 0.5078409076886587 Energy: 0.673482379906311 Energy: 0.5078409076881303 Energy: 0.6734823799047256 Energy: 0.5078409076891872 Energy: 0.4257324944357432 Energy: 0.46931421047785005 Energy: 0.42573249443310085 Energy: 0.469314210478907 Energy: 0.4257324944325724 Energy: 0.46931421047785005 Energy: 0.42987860068615164 Energy: 0.5213598708012988 Energy: 0.42987860068773703 Energy: 0.5213598708002418 Energy: 0.4298786006866801 Energy: 0.5213598708012988 Energy: 0.5542612367768526 Energy: 0.5349316033238993 Energy: 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0.43391925458125796 Energy: 0.4707068776986814 Energy: 0.4339192545849571 Energy: 0.47070687769815295 Energy: 0.4855643849975097 Energy: 0.4670390887754922 Energy: 0.48556438499856663 Energy: 0.46703908877813455 Energy: 0.48556438499856663 Energy: 0.4670390887770776 Energy: 0.43219335061782127 Energy: 0.5598996039808553 Energy: 0.43219335061676434 Energy: 0.5598996039813837 Energy: 0.43219335061517894 Energy: 0.5598996039813837 minimum gb energy = 0.3458710622316002 eV minimum distance = 2.29156508182777 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.5868426159208028 Energy: 0.5100677375426009 Energy: 0.5868426159215557 Energy: 0.510067737541848 Energy: 0.5868426159177907 Energy: 0.510067737545613 Energy: 0.49563266619818974 Energy: 0.5349225496056054 Energy: 0.4956326661989428 Energy: 0.5349225496056054 Energy: 0.4956326662019548 Energy: 0.5349225496071114 Energy: 0.5250722199608936 Energy: 0.5373600362476257 Energy: 0.5250722199616465 Energy: 0.5373600362506378 Energy: 0.5250722199608936 Energy: 0.5373600362506378 Energy: 0.544982918696114 Energy: 0.5008374596525105 Energy: 0.544982918696114 Energy: 0.5008374596517574 Energy: 0.544982918696114 Energy: 0.5008374596570284 Energy: 0.45666165828994254 Energy: 0.5089170611559676 Energy: 0.4566616582884366 Energy: 0.5089170611574735 Energy: 0.4566616582891895 Energy: 0.5089170611559676 Energy: 0.5202231852473357 Energy: 0.5087567150279869 Energy: 0.5202231852480886 Energy: 0.5087567150302459 Energy: 0.5202231852473357 Energy: 0.5087567150302459 Energy: 0.5527412619377745 Energy: 0.6382182857185821 Energy: 0.5527412619347625 Energy: 0.6382182857185821 Energy: 0.5527412619355154 Energy: 0.6382182857185821 Energy: 0.5369382778541323 Energy: 0.5110473868656692 Energy: 0.5369382778556382 Energy: 0.5110473868709402 Energy: 0.5369382778563913 Energy: 0.5110473868686812 Energy: 0.5712344558000102 Energy: 0.544974697308566 Energy: 0.5712344558007633 Energy: 0.5449746973078129 Energy: 0.5712344558007633 Energy: 0.5449746973078129 Energy: 0.5068816415834676 Energy: 0.6254631365283112 Energy: 0.5068816415804557 Energy: 0.6254631365252992 Energy: 0.5068816415812087 Energy: 0.6254631365283112 Energy: 0.5130448770967679 Energy: 0.5222621217621228 Energy: 0.5130448770937559 Energy: 0.5222621217606168 Energy: 0.5130448770945091 Energy: 0.5222621217606168 Energy: 0.508773435524822 Energy: 0.5215211776074667 Energy: 0.508773435524822 Energy: 0.5215211776074667 Energy: 0.508773435523316 Energy: 0.5215211776074667 Energy: 0.5096172935787613 Energy: 0.6549254090754888 Energy: 0.5096172935787613 Energy: 0.6549254090762419 Energy: 0.5096172935802673 Energy: 0.6549254090747357 Energy: 0.5610026398808101 Energy: 0.5409185813187996 Energy: 0.5610026398815631 Energy: 0.5409185813195526 Energy: 0.561002639878551 Energy: 0.5409185813187996 Energy: 0.5362630196073502 Energy: 0.5005856189536392 Energy: 0.5362630196058443 Energy: 0.5005856189528861 Energy: 0.5362630196058443 Energy: 0.5005856189543922 Energy: 0.5210165586343213 Energy: 0.5003856221914695 Energy: 0.5210165586335683 Energy: 0.5003856221922224 Energy: 0.5210165586335683 Energy: 0.5003856221922224 Energy: 0.5226421986838083 Energy: 0.5465186826490849 Energy: 0.5226421986838083 Energy: 0.5465186826498378 Energy: 0.5226421986853144 Energy: 0.5465186826498378 Energy: 0.5323835338287632 Energy: 0.5073204045854544 Energy: 0.5323835338287632 Energy: 0.5073204045854544 Energy: 0.5323835338460823 Energy: 0.5073204045847355 Energy: 0.5223517888629551 Energy: 0.5218286531068487 Energy: 0.5223517888606962 Energy: 0.5218286531068487 Energy: 0.5223517888614492 Energy: 0.5218286531091078 Energy: 0.6513700221767594 Energy: 0.5809495760708125 Energy: 0.6513700221790184 Energy: 0.5809495760715656 Energy: 0.6513700221782655 Energy: 0.5809495760723186 Energy: 0.6952251112179159 Energy: 0.5033811020103622 Energy: 0.6952251112201748 Energy: 0.5033811020111152 Energy: 0.6952251112209279 Energy: 0.5033811020103622 Energy: 0.5361228436973406 Energy: 0.7093951759748308 Energy: 0.5361228436965877 Energy: 0.7093951759733248 Energy: 0.5361228436958347 Energy: 0.7093951759740778 Energy: 0.5981091423514252 Energy: 0.5517607454025163 Energy: 0.5981091423528969 Energy: 0.5517607454032692 Energy: 0.5981091423544028 Energy: 0.5517607454025163 minimum gb energy = 0.4566616582884366 eV minimum distance = 2.34190683981864 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.6992853904362426 Energy: 0.6525947788886356 Energy: 0.6992853904362426 Energy: 0.6525947788900686 Energy: 0.6992853904357649 Energy: 0.6525947788891133 Energy: 0.6237771855259097 Energy: 0.6532309165351765 Energy: 0.6237771855259097 Energy: 0.6532309165356541 Energy: 0.6237771855259097 Energy: 0.6532309165366095 Energy: 0.648450852907935 Energy: 0.6479975566604855 Energy: 0.6484508529093681 Energy: 0.6479975566576194 Energy: 0.6484508529074574 Energy: 0.6479975566600078 Energy: 0.6530692217654472 Energy: 0.6520142976496489 Energy: 0.6530692217654472 Energy: 0.6520142976501266 Energy: 0.6530692217649696 Energy: 0.6520142976491712 Energy: 0.6279411523405809 Energy: 0.6251540918212969 Energy: 0.6279411523401032 Energy: 0.6251540918251184 Energy: 0.6279411523405809 Energy: 0.6251540918212969 Energy: 0.675298215492322 Energy: 0.6778366841794042 Energy: 0.6752982154970988 Energy: 0.6778366841798819 Energy: 0.6752982154951882 Energy: 0.667387141402189 Energy: 0.6388675352148913 Energy: 0.8095589639442993 Energy: 0.6388675352153688 Energy: 0.8095589639428662 Energy: 0.6388675352163242 Energy: 0.8095589639414331 Energy: 0.8061484399151395 Energy: 0.6378021089580094 Energy: 0.8061484399141842 Energy: 0.6378021089575316 Energy: 0.8061484399146617 Energy: 0.637802108957054 Energy: 0.6232037455411058 Energy: 0.646596142759929 Energy: 0.6232037455415835 Energy: 0.6465961427608845 Energy: 0.6232037455406281 Energy: 0.6465961427604067 Energy: 0.7329292339480714 Energy: 0.78977643912829 Energy: 0.7329292339499821 Energy: 0.717450094619729 Energy: 0.7329292339480714 Energy: 0.800567193096336 Energy: 0.6772899812054212 Energy: 0.6579863148156756 Energy: 0.6772899812054212 Energy: 0.6579863148137649 Energy: 0.6772899812054212 Energy: 0.6579863148142425 Energy: 0.6446392149318655 Energy: 0.6142581231239561 Energy: 0.6446392149323432 Energy: 0.6142581231234785 Energy: 0.6446392149337763 Energy: 0.6142581231234785 Energy: 0.6878924748658604 Energy: 0.6385969764551898 Energy: 0.6878924748644274 Energy: 0.6385969764551898 Energy: 0.6878924748672934 Energy: 0.6385969764542344 Energy: 0.67999786457616 Energy: 0.6508067165341354 Energy: 0.6799978645756825 Energy: 0.6508067165341354 Energy: 0.6799978645756825 Energy: 0.6508067165341354 Energy: 0.6492484995017623 Energy: 0.6532933758562774 Energy: 0.64924849950224 Energy: 0.6532933758557998 Energy: 0.6492484995051061 Energy: 0.6532933758562774 Energy: 0.652704261870814 Energy: 0.7088542195280133 Energy: 0.6527042618698587 Energy: 0.7088542195284909 Energy: 0.652704261870814 Energy: 0.7088542195299239 Energy: 0.7750401278578632 Energy: 0.6728069405025041 Energy: 0.7750401278578632 Energy: 0.672806940505848 Energy: 0.7750401278569079 Energy: 0.6728069405053703 Energy: 0.6783043276898096 Energy: 0.6856932597789561 Energy: 0.6783043276898096 Energy: 0.6856932597784785 Energy: 0.6783043276902873 Energy: 0.6856932597803892 Energy: 0.6424698298248092 Energy: 0.6882409755327116 Energy: 0.6424698298248092 Energy: 0.6882409755327116 Energy: 0.6424698298243315 Energy: 0.6882409755322338 Energy: 0.8075637684281791 Energy: 0.6546648519231499 Energy: 0.8075637684291346 Energy: 0.6546648519221946 Energy: 0.8075637684277014 Energy: 0.6546648519236277 Energy: 0.6462615708602938 Energy: 0.7017613699126952 Energy: 0.6462615708607715 Energy: 0.701761369913173 Energy: 0.6462615708593386 Energy: 0.7017613699141283 Energy: 0.6497467001282753 Energy: 0.6141923370013982 Energy: 0.6497467001273198 Energy: 0.6141923370004863 Energy: 0.6497467001273198 Energy: 0.6141923370004863 Energy: 0.6351064609291304 Energy: 0.6579309620933187 Energy: 0.635106460928175 Energy: 0.657930962096619 Energy: 0.6351064609243535 Energy: 0.6579309620937964 Energy: 0.6834913239227237 Energy: 0.6113115419758232 Energy: 0.6834913239198575 Energy: 0.6113115419748678 Energy: 0.6834913239203353 Energy: 0.6113115419758232 Energy: 0.6366666389751845 Energy: 0.6147508968877036 Energy: 0.6366666389727961 Energy: 0.6147508968877036 Energy: 0.6366666389761398 Energy: 0.6147508968881814 Energy: 0.6754210757709843 Energy: 0.655554117007818 Energy: 0.6754210757705068 Energy: 0.655554117007818 Energy: 0.6754210757714622 Energy: 0.6555541170087733 Energy: 0.6389300987017262 Energy: 0.7816234311332955 Energy: 0.638930098702204 Energy: 0.7816234311328178 Energy: 0.6389300987031594 Energy: 0.7816234311328178 Energy: 0.717022923191223 Energy: 0.6663275993997217 Energy: 0.7170229231945668 Energy: 0.6663275993987665 Energy: 0.7170229231921784 Energy: 0.6663275993992441 Energy: 0.8064434855342196 Energy: 0.6241829506939317 Energy: 0.8064434855346974 Energy: 0.6241829506929764 Energy: 0.8064434855366079 Energy: 0.6241829506924987 Energy: 0.6390409593888341 Energy: 0.808382624231851 Energy: 0.6390409593907448 Energy: 0.8083826242313734 Energy: 0.6390409593864458 Energy: 0.8083826242323289 Energy: 0.6809440906971898 Energy: 0.6801007452738382 Energy: 0.6809440906971898 Energy: 0.6801007452738382 Energy: 0.6809440906957567 Energy: 0.6801007452738382 Energy: 0.7897377136381196 Energy: 0.6541665805699601 Energy: 0.7897377136409858 Energy: 0.6541665805699601 Energy: 0.7897377136457627 Energy: 0.6541665805694825 Energy: 0.6537642941116542 Energy: 0.8703915865172461 Energy: 0.6537642941121318 Energy: 0.8703915865177239 Energy: 0.6537642941111764 Energy: 0.8703915865182015 Energy: 0.6479462332552199 Energy: 0.654147590898418 Energy: 0.6479462332556977 Energy: 0.6541475908974627 Energy: 0.6479462332552199 Energy: 0.6541475908979403 Energy: 0.6107042765056041 Energy: 0.6475489634044553 Energy: 0.6107042765051264 Energy: 0.6475489634044553 Energy: 0.6107042765065596 Energy: 0.6475489634049331 Energy: 0.6998201916685393 Energy: 0.6516798932233588 Energy: 0.6998201916685393 Energy: 0.6516798932257474 Energy: 0.6998201916694945 Energy: 0.6516798932238366 Energy: 0.6422120676303601 Energy: 0.6670844702089517 Energy: 0.6422120676308378 Energy: 0.6670844702103846 Energy: 0.6422120676294047 Energy: 0.6670844702103846 minimum gb energy = 0.6107042765051264 eV minimum distance = 2.31239746631298 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8533737898535075 Energy: 0.7564607846089011 Energy: 0.8533737898535075 Energy: 0.7564607846075968 Energy: 0.8533737898547819 Energy: 0.7564607846062925 Energy: 0.7497951655553404 Energy: 0.7650806850369565 Energy: 0.7497951655553404 Energy: 0.7650806850369565 Energy: 0.7497951655566447 Energy: 0.7650806850369565 Energy: 0.8632491876379753 Energy: 0.7619169986257117 Energy: 0.8220627898135222 Energy: 0.7619169986257117 Energy: 0.8220627898135222 Energy: 0.7619169986244074 Energy: 0.8343056436420629 Energy: 1.0018597983743835 Energy: 0.8343056436407588 Energy: 1.0018597983730795 Energy: 0.834305643643367 Energy: 1.0018597983730795 Energy: 1.0244296101028125 Energy: 0.781239338214527 Energy: 1.0244296101041166 Energy: 0.7812393382132227 Energy: 1.0244296101041166 Energy: 0.7812393382132227 Energy: 0.8466458003345831 Energy: 0.8582249321760604 Energy: 0.846645800333279 Energy: 0.8582249321760604 Energy: 0.846645800333279 Energy: 0.8582249321760604 Energy: 0.8424109885562772 Energy: 0.7128682707131364 Energy: 0.8424109885575813 Energy: 0.7128682707131364 Energy: 0.8424109885575813 Energy: 0.7128682707118322 Energy: 0.8103866639667289 Energy: 0.7872353782319679 Energy: 0.8103866639667289 Energy: 0.7872353782306637 Energy: 0.8103866639667289 Energy: 0.7872353782293593 Energy: 0.7519075578561364 Energy: 0.776099510085699 Energy: 0.7519075578574407 Energy: 0.776099510085699 Energy: 0.7519075578561364 Energy: 0.776099510085699 Energy: 0.8342748336232713 Energy: 0.7585704961063099 Energy: 0.8342748336232713 Energy: 0.7585704961089184 Energy: 0.8342748336245754 Energy: 0.7585704961063099 Energy: 0.733785942395403 Energy: 0.7522519679300889 Energy: 0.733785942395403 Energy: 0.7522519679287846 Energy: 0.7337859423940988 Energy: 0.7522519679287846 Energy: 0.7721248341346617 Energy: 0.765182731802892 Energy: 0.772124834135966 Energy: 0.7651827318055004 Energy: 0.7721248341346617 Energy: 0.765182731802892 Energy: 0.7975517194235712 Energy: 1.0021083222206513 Energy: 0.7975517194235712 Energy: 1.0021083222206513 Energy: 0.7975517194235712 Energy: 1.0021083222219556 Energy: 1.021273387933558 Energy: 0.7800713695458945 Energy: 1.0212733879348623 Energy: 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1.029259136219191 Energy: 0.9015463048533718 Energy: 1.0292591362197638 Energy: 0.9015463048556638 Energy: 0.9992488311279105 Energy: 0.9534079307609837 Energy: 0.9992488311267647 Energy: 0.9534079307598379 Energy: 0.9992488311267647 Energy: 0.9534079307598379 Energy: 0.9665893215950178 Energy: 0.9172776861034148 Energy: 0.9665893215944449 Energy: 0.9172776861028418 Energy: 0.9665893215955907 Energy: 0.9172776861022688 Energy: 0.9458801670484168 Energy: 0.95305832793117 Energy: 0.9458801670478438 Energy: 0.95305832793117 Energy: 0.945880167047271 Energy: 0.95305832793117 Energy: 0.9577035414926012 Energy: 0.9547690200773125 Energy: 0.957703541493174 Energy: 0.9547690200750207 Energy: 0.957703541493174 Energy: 0.9547690200761666 Energy: 0.9367989843360506 Energy: 1.0130431413911143 Energy: 0.9367989843349047 Energy: 1.0130431413905414 Energy: 0.9367989843349047 Energy: 1.0130431413893954 Energy: 0.968901774512773 Energy: 0.9403338195618222 Energy: 0.9689017745116272 Energy: 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0.9279478715431341 Energy: 0.969859549414655 Energy: 0.9409367766307315 Energy: 0.969859549414655 Energy: 0.9409367766330232 Energy: 0.969859549414655 Energy: 0.9409367766318774 Energy: 0.9117060863652149 Energy: 1.0916683526432456 Energy: 0.9117060863634959 Energy: 1.0916683526438185 Energy: 0.9117060863646418 Energy: 1.0916683526426725 Energy: 0.9934689038666676 Energy: 0.9114295394673165 Energy: 0.9934689038666676 Energy: 0.9114295394667434 Energy: 0.9934689038672406 Energy: 0.9114295394678893 Energy: 0.9432394550908809 Energy: 0.9531941588520897 Energy: 0.9432394550920268 Energy: 0.9531941588509438 Energy: 0.9432394550897351 Energy: 0.9531941588515168 Energy: 0.9765090894595068 Energy: 0.9746792225319931 Energy: 0.976509089458934 Energy: 0.9746792225319931 Energy: 0.9765090894595068 Energy: 0.9746792225319931 Energy: 0.9173977264223878 Energy: 0.9916873484990615 Energy: 0.9173977264223878 Energy: 0.9916873484984884 Energy: 0.9173977264223878 Energy: 0.9916873484979156 Energy: 0.9279169640970839 Energy: 1.0026872362225692 Energy: 0.9279169640982298 Energy: 1.0026872362214494 Energy: 0.9279169640988026 Energy: 1.0026872362219963 Energy: 0.93618867304865 Energy: 0.9571952228062401 Energy: 0.936188673049796 Energy: 0.9571952228096778 Energy: 0.936188673049796 Energy: 0.9571952228068131 minimum gb energy = 0.8641839304758163 eV minimum distance = 2.21257551001204 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8921463312754349 Energy: 0.8936306944847381 Energy: 0.8921463312754349 Energy: 0.893630694482699 Energy: 0.8921463312764544 Energy: 0.8936306944847381 Energy: 0.945212010714058 Energy: 0.9142150088690889 Energy: 0.9452120107160972 Energy: 0.9142150088701084 Energy: 0.9452120107150775 Energy: 0.9142150088690889 Energy: 0.949851868027869 Energy: 0.8691942125844412 Energy: 0.9498518680288885 Energy: 0.8691942125844412 Energy: 0.949851868027869 Energy: 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0.9039220204633471 Energy: 0.8849548592418962 Energy: 0.9039220204633471 Energy: 0.8484658052694957 Energy: 0.9039220204633471 Energy: 0.9047397609287716 Energy: 0.9481555893287951 Energy: 0.8691064941249608 Energy: 0.9481555893257364 Energy: 0.8691064941269999 Energy: 0.9481555893267559 Energy: 0.8691064941259803 Energy: 0.9452224840479343 Energy: 0.8672015098762005 Energy: 0.9452224840479343 Energy: 0.8672015098762005 Energy: 0.9452224840448756 Energy: 0.867201509875181 Energy: 0.8921463312754349 Energy: 0.8936306944847381 Energy: 0.8921463312764544 Energy: 0.8936306944837186 Energy: 0.8921463312754349 Energy: 0.893630694482699 Energy: 0.9452120107150775 Energy: 0.9142150088701084 Energy: 0.9452120107160972 Energy: 0.9142150088701084 Energy: 0.945212010714058 Energy: 0.9142150088690889 Energy: 0.949851868027869 Energy: 0.8691942125854607 Energy: 0.9498518680288885 Energy: 0.8691942125854607 Energy: 0.9498518680288885 Energy: 0.8691942125834216 Energy: 0.9039220204633471 Energy: 0.8484658052715348 Energy: 0.9039220204643668 Energy: 0.848465805264398 Energy: 0.9039220204643668 Energy: 0.8849548592449549 Energy: 0.9481555893257364 Energy: 0.8691064941249608 Energy: 0.9481555893267559 Energy: 0.8691064941259803 Energy: 0.9481555893267559 Energy: 0.8691064941249608 minimum gb energy = 0.848465805264398 eV minimum distance = 2.2555748129613 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9605988122091861 Energy: 0.9653207897910158 Energy: 0.9605988122091861 Energy: 0.9653207897918482 Energy: 0.9605988122091861 Energy: 0.9653207897910158 Energy: 0.9459662990370202 Energy: 0.9483919449070886 Energy: 0.9459662990353553 Energy: 0.948391944906256 Energy: 0.9459662990370202 Energy: 0.9483919449070886 Energy: 1.0847251632905532 Energy: 1.0956560994829396 Energy: 1.0847251632888881 Energy: 1.0956560994829396 Energy: 1.0847251632913857 Energy: 1.0956560994812747 Energy: 0.9071367032314906 Energy: 1.1057235109585235 Energy: 0.9071367032314906 Energy: 1.1057235109568588 Energy: 0.9071367032306582 Energy: 1.1057235109560264 Energy: 0.9287333615862837 Energy: 0.9945758008134772 Energy: 0.9287333615846187 Energy: 0.9945758008143096 Energy: 0.9287333615854513 Energy: 0.9945758008134772 Energy: 0.9279217828674045 Energy: 0.9669177219243587 Energy: 0.9279217828674045 Energy: 0.9669177219235262 Energy: 0.9279217828682369 Energy: 0.9669177219226937 Energy: 0.9344385451960605 Energy: 0.9339933945219053 Energy: 0.9344385451960605 Energy: 0.9339933945227378 Energy: 0.9344385451960605 Energy: 0.9339933945235703 Energy: 0.9082776205770656 Energy: 1.1536828321503425 Energy: 0.9082776205770656 Energy: 1.1536828321528398 Energy: 0.9082776205778981 Energy: 1.1536828321528398 Energy: 1.2790919598463237 Energy: 0.9915948399501496 Energy: 1.279091959845491 Energy: 0.9915948399509821 Energy: 1.2790919598463237 Energy: 0.9915948399518146 Energy: 0.9275122857865739 Energy: 0.9242420056853634 Energy: 0.9275122857865739 Energy: 0.9242420056853634 Energy: 0.9275122857857413 Energy: 0.9242420056853634 Energy: 1.08456635274671 Energy: 1.082396385244689 Energy: 1.0845663527475424 Energy: 1.0823963852455214 Energy: 1.1194996965930852 Energy: 1.0823963852438563 Energy: 0.956359442198964 Energy: 0.9640503810582253 Energy: 0.9563594421997963 Energy: 0.9640503810582253 Energy: 0.9563594421997963 Energy: 0.9640503810590578 Energy: 0.9051986748433807 Energy: 1.1241073734076683 Energy: 0.9051986748433807 Energy: 1.1241073734076683 Energy: 0.9051986748442131 Energy: 1.1241073734068736 Energy: 0.9644661678540207 Energy: 0.9518611024477228 Energy: 0.9644661678531882 Energy: 0.9518611024477228 Energy: 0.9644661678531882 Energy: 0.9518611024460577 Energy: 0.9547147936339881 Energy: 0.9334202446609383 Energy: 0.9547147936348206 Energy: 0.9334202446609383 Energy: 0.9547147936356531 Energy: 0.9334202446609383 Energy: 0.9895404657820531 Energy: 0.9637006259242004 Energy: 0.9895404657812206 Energy: 0.9637006259225354 Energy: 0.9895404657845505 Energy: 0.9637006259242004 Energy: 1.0232865734968184 Energy: 0.9790886293021602 Energy: 1.0232865734968184 Energy: 0.9790886293021602 Energy: 1.0232865734968184 Energy: 0.9790886293013277 Energy: 0.9869869171244726 Energy: 0.9377419145927703 Energy: 0.9869869171244726 Energy: 0.9377419145911052 Energy: 0.9869869171236402 Energy: 0.9377419145919378 Energy: 1.0742617003682537 Energy: 1.0841422583516254 Energy: 1.0742617003665886 Energy: 1.0841422583499605 Energy: 1.0742617003690864 Energy: 1.0841422583524578 Energy: 0.952980859953926 Energy: 1.0853362175382095 Energy: 0.9529808599555908 Energy: 1.0853362175382095 Energy: 0.9529808599564233 Energy: 1.085336217539042 Energy: 0.9579649886274552 Energy: 1.004443982834974 Energy: 0.9579649886266227 Energy: 1.0044439828358067 Energy: 0.9579649886274552 Energy: 1.004443982834974 minimum gb energy = 0.9051986748433807 eV minimum distance = 2.21209915255957 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.008067304292223 Energy: 1.2935675216879914 Energy: 1.0059228291151474 Energy: 1.2935675216879914 Energy: 1.008067304292223 Energy: 1.2935675216879914 Energy: 0.9810129975853822 Energy: 0.9756939455027184 Energy: 0.9810129975867857 Energy: 0.9756939455020166 Energy: 0.9810129975846805 Energy: 0.9756939455041218 Energy: 1.0480315170203087 Energy: 0.8981713727203751 Energy: 1.0480315170217123 Energy: 0.8981713727189715 Energy: 1.0480315170210104 Energy: 0.8981713727196734 Energy: 0.9204281076178396 Energy: 1.0459233397800862 Energy: 0.9204281076171379 Energy: 1.0459233397786827 Energy: 0.9204281076185414 Energy: 1.0459233397793843 Energy: 1.0364819507146674 Energy: 0.9127933973235516 Energy: 1.0364819507146674 Energy: 0.9127933973242534 Energy: 1.0364819507146674 Energy: 0.9127933973242534 Energy: 1.0675379463710648 Energy: 1.0071876528433286 Energy: 1.0675379463710648 Energy: 1.007187652842627 Energy: 1.0675379463703631 Energy: 1.0071876528440302 Energy: 0.9414205499753471 Energy: 0.959890499109516 Energy: 0.9414205499746453 Energy: 0.9598904991102176 Energy: 0.9414205499753471 Energy: 0.959890499109516 Energy: 1.0283959071579805 Energy: 0.9557260028516728 Energy: 1.0283959070204765 Energy: 0.9557260028509711 Energy: 1.028395906114979 Energy: 0.9557260028530763 Energy: 1.0130255150040306 Energy: 0.9225832015445673 Energy: 1.0127928560329116 Energy: 0.9225832015452691 Energy: 1.0130255150040306 Energy: 0.9225832015452691 Energy: 1.0043662579992247 Energy: 0.9617418383058729 Energy: 1.0050439003354106 Energy: 0.9617418383065746 Energy: 1.0043662579992247 Energy: 0.9617418383072763 Energy: 0.9974250215462217 Energy: 0.9760920612258233 Energy: 1.0112735824298018 Energy: 0.9760920612258233 Energy: 0.9974250215462217 Energy: 0.9760920612258233 Energy: 0.9590937435194568 Energy: 0.9195907880522549 Energy: 0.9590937435180532 Energy: 0.9195907880529567 Energy: 0.9590937435208601 Energy: 0.9195907880529567 Energy: 0.943967042811425 Energy: 1.04832359516087 Energy: 0.943967042811425 Energy: 1.0483235951615717 Energy: 0.9439670428107233 Energy: 1.04832359516087 Energy: 0.9213156884976893 Energy: 0.881536332113296 Energy: 0.9213156884983912 Energy: 0.8815363321125942 Energy: 0.9213156884976893 Energy: 0.8815363321125942 Energy: 1.1456999288605105 Energy: 1.0031850598380523 Energy: 1.1691617556146126 Energy: 1.0031850598394558 Energy: 1.1456999288633174 Energy: 1.0031850598380523 Energy: 0.9580271063039749 Energy: 0.913051284791063 Energy: 0.9580271063039749 Energy: 0.913051284791063 Energy: 0.9580271063039749 Energy: 0.9130512847917649 Energy: 0.9197635957564256 Energy: 1.0567147375272303 Energy: 0.9197635957536188 Energy: 1.0567147375279322 Energy: 0.9197635957550223 Energy: 1.0567147375272303 Energy: 1.0453644208171387 Energy: 0.8964511237223555 Energy: 1.0453644208178403 Energy: 0.896451123720952 Energy: 1.0453644208171387 Energy: 0.8964511237216538 Energy: 0.9885576909528332 Energy: 0.941771123583631 Energy: 0.9028422284547941 Energy: 0.9417711235829292 Energy: 0.9885576909514298 Energy: 0.941771123583631 Energy: 1.0080673042908195 Energy: 1.293567521686588 Energy: 1.005922829116551 Energy: 1.2935675216858864 Energy: 1.008067304292223 Energy: 1.293567521686588 Energy: 0.9810129975839789 Energy: 0.97569394550342 Energy: 0.9810129975839789 Energy: 0.97569394550342 Energy: 0.981012997583277 Energy: 0.9756939455048236 Energy: 1.0480315170189052 Energy: 0.8981713727196734 Energy: 1.0480315170189052 Energy: 0.8981713727196734 Energy: 1.0480315170203087 Energy: 0.8981713727189715 Energy: 0.920428107619243 Energy: 1.0459233397800862 Energy: 0.9204281076199448 Energy: 1.0459233397793843 Energy: 0.9204281076199448 Energy: 1.045923339777981 Energy: 1.0364819507160707 Energy: 0.9127933973249549 Energy: 1.0364819507160707 Energy: 0.9127933973256567 Energy: 1.0364819507167724 Energy: 0.9127933973242534 Energy: 1.0675379463710648 Energy: 1.0071876528447319 Energy: 1.0675379463710648 Energy: 1.0071876528447319 Energy: 1.0675379463703631 Energy: 1.0071876528440302 minimum gb energy = 0.8815363321125942 eV minimum distance = 2.2412511144915 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9419821801185201 Energy: 1.0747840202028869 Energy: 0.9419821801191258 Energy: 1.0747840202034926 Energy: 0.9419821801191258 Energy: 1.0747840202034926 Energy: 0.9729634426384665 Energy: 0.9164339282156926 Energy: 0.9729634426408891 Energy: 0.9164339282169041 Energy: 0.9729634426384665 Energy: 0.9164339282193267 Energy: 1.0524711410811327 Energy: 0.8924971865070253 Energy: 1.012657056974371 Energy: 0.892497186507631 Energy: 1.0126570569707365 Energy: 0.8924971865070253 Energy: 0.8946260994773123 Energy: 1.0272516899172854 Energy: 0.8946260994773123 Energy: 1.0272516899172854 Energy: 0.8946260994767067 Energy: 1.02725168991668 Energy: 0.9328567234008742 Energy: 1.07268648099246 Energy: 0.9328567234008742 Energy: 1.0726864809918544 Energy: 0.9328567234002684 Energy: 1.0726864809930658 Energy: 0.9414394415968748 Energy: 0.907300178626893 Energy: 0.9414394415974806 Energy: 0.9073001786262874 Energy: 0.9414394415968748 Energy: 0.9073001786262874 Energy: 0.9101576209910928 Energy: 1.135328690330859 Energy: 0.9101576209916984 Energy: 1.135328690331465 Energy: 0.9101576209910928 Energy: 1.135328690331465 Energy: 0.9185478237764527 Energy: 1.074647591421533 Energy: 0.9185478237764527 Energy: 1.074647591421533 Energy: 0.9185478237764527 Energy: 1.074647591421533 Energy: 0.9400693962045812 Energy: 0.8807559520014954 Energy: 0.9400693962045812 Energy: 0.8807559520014954 Energy: 0.9400693962051869 Energy: 0.8807559520008897 Energy: 0.9679762417268075 Energy: 0.9612315525517369 Energy: 0.9679762417262017 Energy: 0.9612315525511311 Energy: 0.9679762417262017 Energy: 0.9612315525517369 Energy: 0.8817920413895285 Energy: 1.1284394699275113 Energy: 0.8817920413895285 Energy: 1.1284394699287226 Energy: 0.881792041388317 Energy: 1.1284394699281168 Energy: 1.042828644643015 Energy: 0.902814557344576 Energy: 1.042828644643015 Energy: 0.9028145573457874 Energy: 1.0428286446436208 Energy: 0.9028145573451818 Energy: 0.9403442577454677 Energy: 0.9505732098452264 Energy: 0.9403442577460733 Energy: 0.9505732098452264 Energy: 0.9403442577448617 Energy: 0.9505732098446207 Energy: 0.905312509682199 Energy: 0.9210426326641229 Energy: 0.905312509682199 Energy: 0.9210426326647286 Energy: 0.9053125096815934 Energy: 0.9210426326641229 Energy: 1.0757836393156812 Energy: 0.9153479330269216 Energy: 1.0757836393126528 Energy: 0.9153479330287387 Energy: 1.0757836393126528 Energy: 0.915347933028133 Energy: 1.0376962010034545 Energy: 0.8860780460473452 Energy: 1.0376962010016375 Energy: 0.8860780460449222 Energy: 1.0376962010022432 Energy: 0.8860780460461336 Energy: 0.9052925834851113 Energy: 1.026928998079512 Energy: 0.9052925834857171 Energy: 1.0269289980801177 Energy: 0.9052925834851113 Energy: 1.026928998079512 Energy: 0.9407227457827119 Energy: 1.060534557148597 Energy: 0.9407227457808948 Energy: 1.0605345571498082 Energy: 0.9407227457815005 Energy: 1.060534557148597 Energy: 0.8836538083995009 Energy: 0.9049663357226375 Energy: 0.8836538084013181 Energy: 0.9049663357226375 Energy: 0.8836538084013181 Energy: 0.9049663357226375 Energy: 0.9063549467486249 Energy: 1.0299217302079333 Energy: 0.9063549467480193 Energy: 1.0299217302085393 Energy: 0.9063549467480193 Energy: 1.0299217302073276 Energy: 0.8791375733141694 Energy: 1.0489755294127228 Energy: 0.8791375733147752 Energy: 1.0489755294133283 Energy: 0.8791375733135636 Energy: 1.0489755294133283 Energy: 0.9432808368467547 Energy: 0.9025658019948197 Energy: 0.9432808368467547 Energy: 0.9025658019936081 Energy: 0.9432808368467547 Energy: 0.9025658019948197 Energy: 1.0790909240843376 Energy: 0.9485435443427629 Energy: 1.079090924085549 Energy: 0.9485435443415515 Energy: 1.079090924085549 Energy: 0.9485435443427629 Energy: 0.9288938935890938 Energy: 0.9907916974995857 Energy: 0.9288938935854595 Energy: 0.9907916975007697 Energy: 0.9288938935866708 Energy: 0.990791697501981 Energy: 0.8891127367257916 Energy: 0.9070069817687414 Energy: 0.8891127367233688 Energy: 0.90700698176753 Energy: 0.8891127367257916 Energy: 0.9070069817681358 Energy: 0.9470744376743494 Energy: 0.9134915984777502 Energy: 0.947074437674955 Energy: 0.9134915984783558 Energy: 0.9470744376743494 Energy: 0.9134915984777502 Energy: 0.8752626541936904 Energy: 0.897533762792212 Energy: 0.8752626541930846 Energy: 0.8975337627910006 Energy: 0.8752626541930846 Energy: 0.897533762792212 Energy: 0.9305158853359988 Energy: 0.9048441434563281 Energy: 0.9305158853359988 Energy: 0.9048441434557222 Energy: 0.9305158853372103 Energy: 0.9048441434551165 Energy: 0.9202440684451451 Energy: 0.904956833840059 Energy: 0.9202440684457508 Energy: 0.904956833840059 Energy: 0.920244068446329 Energy: 0.904956833840059 minimum gb energy = 0.8752626541930846 eV minimum distance = 2.24903548784998 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8523194857056663 Energy: 0.9160271912398139 Energy: 0.8523194857056663 Energy: 0.9160271912398139 Energy: 0.8523194857056663 Energy: 0.9160271912398139 Energy: 1.0766884595623323 Energy: 0.8564609103182506 Energy: 1.076688459562865 Energy: 0.8452503606408412 Energy: 1.0766884595623323 Energy: 0.8452503606403088 Energy: 0.8802409901776005 Energy: 0.8360357550247993 Energy: 0.8802409901776005 Energy: 0.8360357550247993 Energy: 0.8802409901776005 Energy: 0.8360357550253318 Energy: 0.8009700606456054 Energy: 1.1401232177841671 Energy: 0.800970060645073 Energy: 1.0992238992033814 Energy: 0.800970060646138 Energy: 1.0992238992039136 Energy: 0.8612006995528613 Energy: 0.9034097018085177 Energy: 0.8612006995592508 Energy: 0.9034097018085177 Energy: 0.8612006995667052 Energy: 0.9034097018069202 Energy: 0.8717957967331208 Energy: 0.8228646111191145 Energy: 0.8717957967325883 Energy: 0.8228646111185822 Energy: 0.8717957967315234 Energy: 0.8228646111191145 Energy: 0.8478296201502262 Energy: 1.056157824478815 Energy: 0.8478296201491613 Energy: 1.0561578244782828 Energy: 0.8478296201486287 Energy: 1.0561578244772178 Energy: 0.7997075064330008 Energy: 1.1936114593356701 Energy: 0.7997075064377928 Energy: 1.1936114593362028 Energy: 0.7997075064367279 Energy: 1.1936114593351377 Energy: 0.8740637267327422 Energy: 0.8236569494649758 Energy: 0.8740637267327422 Energy: 0.8236569494676381 Energy: 0.8740637267332748 Energy: 0.8236569494671055 Energy: 0.8601519735863591 Energy: 1.1181620919501196 Energy: 0.8601519735863591 Energy: 1.0760134911866288 Energy: 0.8601519735847619 Energy: 1.0760134911866288 Energy: 0.7996478111290775 Energy: 0.9332818600472614 Energy: 0.799647811128545 Energy: 0.933281860047794 Energy: 0.7996478111280125 Energy: 0.933281860047794 Energy: 1.0829957226307925 Energy: 0.8689805410283774 Energy: 1.082995722632922 Energy: 1.005786607033022 Energy: 1.082995722632922 Energy: 1.005786607033022 Energy: 0.8632480781157418 Energy: 0.8356859330314411 Energy: 0.8632480781157418 Energy: 0.8356859330309085 Energy: 0.8632480781162742 Energy: 0.8356859330314411 Energy: 0.8528482548363421 Energy: 1.028418498973616 Energy: 0.8528482548352772 Energy: 1.016022893735336 Energy: 0.8528482548347447 Energy: 1.016022893734271 Energy: 1.06938115617555 Energy: 0.8897918994606508 Energy: 1.0693811561750175 Energy: 0.8897918994606508 Energy: 1.0693811561750175 Energy: 0.8897918994601183 Energy: 0.8780870578235782 Energy: 0.8377575494483788 Energy: 0.8780870578241108 Energy: 0.8377575494478462 Energy: 0.8780870578235782 Energy: 0.8377575494489111 Energy: 0.7997018618152318 Energy: 1.0715907784310852 Energy: 0.7997018618157644 Energy: 1.0715907784326826 Energy: 0.7997018618157644 Energy: 1.0715907784326826 Energy: 0.7958797988963501 Energy: 1.0862639945899129 Energy: 0.795879798897415 Energy: 1.0862639945899129 Energy: 0.7958797988958176 Energy: 1.0862639945931074 Energy: 0.8715670889198852 Energy: 0.8236642337769463 Energy: 0.8715670889214824 Energy: 0.8236642337769463 Energy: 0.8715670889198852 Energy: 0.8236642337780111 Energy: 0.8593473089336464 Energy: 1.0553188817143486 Energy: 0.8593473089336464 Energy: 1.0553188817143486 Energy: 0.8593473089336464 Energy: 1.055318881714881 Energy: 0.8215795456729378 Energy: 0.9314762453489727 Energy: 0.8215795456734704 Energy: 0.9314762453489727 Energy: 0.8215795456734704 Energy: 0.9314762453495051 Energy: 1.093120213118796 Energy: 0.8225305789608711 Energy: 1.0931202131182634 Energy: 0.822530578961936 Energy: 1.0931202131182634 Energy: 0.8225305789608711 Energy: 0.8830129089544997 Energy: 0.8228665423450383 Energy: 0.8830129089544997 Energy: 0.8228665423450383 Energy: 0.8830129089539671 Energy: 0.8228665423450383 Energy: 0.8009763018908879 Energy: 0.8524404582637641 Energy: 0.8009763018892904 Energy: 0.8524404582642965 Energy: 0.8009763018892904 Energy: 0.8524404582642965 Energy: 1.0709256394815927 Energy: 1.0317162628295684 Energy: 1.0709256394799955 Energy: 1.0317162628311658 Energy: 1.0709256394837225 Energy: 1.0317162628306333 Energy: 0.8638763811548043 Energy: 0.8376846548337151 Energy: 0.8638763811542719 Energy: 0.8376846548331827 Energy: 0.8638763811553368 Energy: 0.8376846548337151 Energy: 0.8519769373235859 Energy: 0.8485411491565189 Energy: 0.8519769373235859 Energy: 0.8485411491549215 Energy: 0.851976937322521 Energy: 0.8485411491549215 Energy: 0.8519104868700792 Energy: 0.897663140708998 Energy: 0.8519104868700792 Energy: 0.8976631407095305 Energy: 0.851910486871144 Energy: 0.897663140708998 Energy: 0.8523759804701644 Energy: 0.8357831680047041 Energy: 0.8523759804712293 Energy: 0.8357831680041719 Energy: 0.8523759804696319 Energy: 0.8357831680047041 Energy: 0.7959952390330644 Energy: 1.0738916694655853 Energy: 0.7959952390325319 Energy: 1.0738916694661176 Energy: 0.7959952390325319 Energy: 1.0738916694671825 Energy: 0.7965458867582482 Energy: 0.8221798820999973 Energy: 0.7965458867598455 Energy: 0.8221798820989323 Energy: 0.7965458867593131 Energy: 0.8221798821010622 Energy: 0.883335264732551 Energy: 0.8224440184530171 Energy: 0.8833352647336159 Energy: 0.8224440184530171 Energy: 0.8833352647320185 Energy: 0.8224440184508873 Energy: 1.059724846644953 Energy: 0.8227892305858155 Energy: 1.0597248466444207 Energy: 0.8227892305858155 Energy: 1.0597248466454856 Energy: 0.822789230586348 minimum gb energy = 0.7958797988958176 eV minimum distance = 2.27238864270236 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: -0.054283391181887464 Energy: 0.44130941985420535 Energy: -0.054283391181887464 Energy: 0.4413094198546477 Energy: -0.05428339118232987 Energy: 0.4413094198555079 Energy: -0.05391533765765874 Energy: 1.6440068732869983 Energy: -0.053915337657240915 Energy: 1.6440068732865563 Energy: -0.05391533765810114 Energy: 1.644006873285696 Energy: 1.128508793834125 Energy: 0.2939439315496555 Energy: 1.6247588473803187 Energy: 0.29394396487308183 Energy: 0.441510969503657 Energy: 0.29394388958006074 Energy: -0.05391533765810114 Energy: 1.6440068732865563 Energy: -0.05391533765765874 Energy: 1.6440068732865563 Energy: -0.05391533765810114 Energy: 1.6440068732874165 minimum gb energy = -0.05428339118232987 eV minimum distance = 2.4492980233785 Angstroms sigma value = 1