Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.863657340407371 cohesive_energy=4.290337405487055 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.01618052093597903 Energy: 0.42058478937138166 Energy: 0.01618052093597903 Energy: 0.4205847893701575 Energy: 0.01618052093597903 Energy: 0.42058478937256044 Energy: 0.01618052093597903 Energy: 0.016821413666089642 Energy: 0.6363753661739177 Energy: 0.016821413665726932 Energy: 0.6363753661739177 Energy: 0.016821413665726932 Energy: 0.6363753661739177 Energy: 0.016821413666089642 Energy: 0.01654075539655574 Energy: 0.5614818372642193 Energy: 0.01654075539655574 Energy: 0.5614818372630177 Energy: 0.016540755396963796 Energy: 0.5614818372634032 Energy: 0.01654075539655574 Energy: 0.016821413666497698 Energy: 0.6363753661735096 Energy: 0.016821413666089642 Energy: 0.6363753661735096 Energy: 0.016821413666089642 Energy: 0.6363753661735096 Energy: 0.016821413666089642 Energy: 0.01618052093597903 Energy: 0.4205847893677998 Energy: 0.01618052093597903 Energy: 0.4205847893785452 Energy: 0.01618052093597903 Energy: 0.42058478937256044 Energy: 0.01618052093597903 Energy: 0.016821413665726932 Energy: 0.6363753661731015 Energy: 0.016821413666089642 Energy: 0.6363753661735096 Energy: 0.016821413666089642 Energy: 0.6363753661731015 Energy: 0.016821413666089642 minimum gb energy = 0.01618052093597903 eV minimum distance = 2.47609455338265 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.3763102258662867 Energy: 1.5832081408133618 Energy: 1.3763102258682365 Energy: 1.5832081408089749 Energy: 1.376310225866774 Energy: 1.5832081408123868 Energy: 1.376310225863362 Energy: 1.2695993489832977 Energy: 1.2795110886133865 Energy: 1.2695993489886594 Energy: 1.2795110886138739 Energy: 1.2695993491172988 Energy: 1.2795110886133865 Energy: 1.2695993491051125 Energy: 1.1656290388410817 Energy: 1.2227389674058462 Energy: 1.165629038841569 Energy: 1.2227389674073086 Energy: 1.1656290388405943 Energy: 1.2227389674058462 Energy: 1.1656290388410817 Energy: 1.1648153069457492 Energy: 1.264056903166795 Energy: 1.1648153069472116 Energy: 1.2640569031672824 Energy: 1.1648153069462366 Energy: 1.2640569031663076 Energy: 1.1648153069476992 Energy: 1.162804464609467 Energy: 1.2549133770525924 Energy: 1.1628044646084923 Energy: 1.2549133770574668 Energy: 1.162804464609467 Energy: 1.254913377052105 Energy: 1.16280446460898 Energy: 1.3122783177474324 Energy: 1.3162398001684257 Energy: 1.312278317567612 Energy: 1.3162398001694005 Energy: 1.3122783179145348 Energy: 1.316239800168913 Energy: 1.312278317909173 Energy: 1.3119360002170926 Energy: 1.2747644803932243 Energy: 1.311936000215143 Energy: 1.2747644804619087 Energy: 1.3119360002166052 Energy: 1.2747644804238885 Energy: 1.3119360002161178 Energy: 1.2078039998696497 Energy: 1.2705108359286144 Energy: 1.2078039998691623 Energy: 1.2705108359286144 Energy: 1.2078039998706245 Energy: 1.2705108359286144 Energy: 1.2078039998696497 Energy: 1.2063062429072973 Energy: 1.2696893764200918 Energy: 1.2063062429092473 Energy: 1.269689376417167 Energy: 1.2063062429077847 Energy: 1.2696893764205792 Energy: 1.2063062429087597 Energy: 1.1678659894171568 Energy: 1.1532343073972475 Energy: 1.1678659894166694 Energy: 1.153234307401147 Energy: 1.1678659894166694 Energy: 1.1532343073972475 Energy: 1.1678659894171568 Energy: 1.2105056079404442 Energy: 1.2356139813657305 Energy: 1.210505607941419 Energy: 1.2356139813657305 Energy: 1.2105056079404442 Energy: 1.235613981366218 Energy: 1.210505607941419 Energy: 1.264954618988107 Energy: 1.1814626494977878 Energy: 1.2649546189895693 Energy: 1.1814626494665919 Energy: 1.2649546189832328 Energy: 1.1814626494851144 Energy: 1.2649546189876195 Energy: 1.270431114156456 Energy: 1.2726103727419746 Energy: 1.2704311141506064 Energy: 1.2726103727444118 Energy: 1.2704311141837523 Energy: 1.272610372742462 Energy: 1.2704311141671796 Energy: 1.2026195633769023 Energy: 1.2396090061781777 Energy: 1.2026195633769023 Energy: 1.239609006178665 Energy: 1.2026195633769023 Energy: 1.2396090061776903 Energy: 1.2026195633773897 Energy: 1.1719316111392908 Energy: 1.2794272436779388 Energy: 1.1719316111397782 Energy: 1.2794272436794012 Energy: 1.1719316111422153 Energy: 1.2794272436662406 Energy: 1.1719316111392908 Energy: 1.1621379211961165 Energy: 1.2240827536146834 Energy: 1.1621379211975786 Energy: 1.2240827536141958 Energy: 1.1621379211961165 Energy: 1.2240827536141958 Energy: 1.1621379211980662 Energy: 1.2780369015464712 Energy: 1.2278229440321873 Energy: 1.2780369015464712 Energy: 1.2278229440317 Energy: 1.2780369015464712 Energy: 1.2278229440312123 Energy: 1.2780369015464712 Energy: 1.1863728264610067 Energy: 1.2379690720711303 Energy: 1.1863728264624689 Energy: 1.2379690720716177 Energy: 1.1863728264610067 Energy: 1.237969072070643 Energy: 1.1863728264619815 Energy: 1.2595427694257428 Energy: 1.2176187800403826 Energy: 1.259542769427205 Energy: 1.2176187800355525 Energy: 1.2595427694257428 Energy: 1.217618780045257 Energy: 1.2595427694276924 Energy: 1.3905334490230812 Energy: 1.2247738751099724 Energy: 1.3905334490357102 Energy: 1.2247738751075352 Energy: 1.3905334490347352 Energy: 1.2247738751060728 Energy: 1.3905334490269807 Energy: 1.2051985509319492 Energy: 1.1715098938381276 Energy: 1.2051985509314618 Energy: 1.171509893838615 Energy: 1.2051985509314618 Energy: 1.1715098938381276 Energy: 1.2051985509319492 Energy: 1.1952750845642521 Energy: 1.1606332017403689 Energy: 1.1952750845632774 Energy: 1.160633201741831 Energy: 1.1952750845632774 Energy: 1.1606332017403689 Energy: 1.1952750845632774 Energy: 1.212789858424093 Energy: 1.2670731987067483 Energy: 1.2127898584250678 Energy: 1.2670731987072357 Energy: 1.2127898584245804 Energy: 1.2670731987067483 Energy: 1.2127898584236054 Energy: 1.2420950914639384 Energy: 1.2498785611056171 Energy: 1.2420950914206006 Energy: 1.2498785611061045 Energy: 1.2420950914615012 Energy: 1.2498785611056171 Energy: 1.2420950914206006 Energy: 1.2803548396968167 Energy: 1.2954150752247504 Energy: 1.2803548396943798 Energy: 1.2954150752374236 Energy: 1.280354839695842 Energy: 1.295415075587714 Energy: 1.2803548396943798 Energy: 1.3100551010245076 Energy: 1.3402537984501983 Energy: 1.3100551010240202 Energy: 1.3402537984575096 Energy: 1.3100551010132968 Energy: 1.3402537984531229 Energy: 1.3100551010210957 Energy: 1.188472531441453 Energy: 1.2587204038965805 Energy: 1.1884725314429152 Energy: 1.2587204038970679 Energy: 1.188472531441453 Energy: 1.2587204038956057 Energy: 1.1884725314429152 Energy: 1.2928627458909667 Energy: 1.2658599039605838 Energy: 1.2928627459879225 Energy: 1.2658599039605838 Energy: 1.2928627458174078 Energy: 1.2658599039605838 Energy: 1.2928627459591637 Energy: 1.1784763515614856 Energy: 1.2108507978056455 Energy: 1.1784763515614856 Energy: 1.210850797806133 Energy: 1.1784763515609982 Energy: 1.2108507978056455 Energy: 1.1784763515614856 Energy: 1.237769864883653 Energy: 1.4152430435112406 Energy: 1.2377698666362127 Energy: 1.4152430435107533 Energy: 1.2377698648553814 Energy: 1.4152430435117282 Energy: 1.2377698655774538 Energy: 1.2947899202174327 Energy: 1.4086357407909529 Energy: 1.2947899201950104 Energy: 1.4086357491233887 Energy: 1.2947899201930606 Energy: 1.4086357440957797 Energy: 1.2947899201984223 Energy: 1.2504552120192194 Energy: 1.2029015841245452 Energy: 1.250455212009958 Energy: 1.20290158412552 Energy: 1.250455212017757 Energy: 1.2029015841235702 Energy: 1.2504552120075207 Energy: 1.1511565547855547 Energy: 1.2029921216765933 Energy: 1.1511565547865295 Energy: 1.2029921216765933 Energy: 1.1511565547855547 Energy: 1.202992121676106 Energy: 1.1511565547865295 Energy: 1.16090755288526 Energy: 1.2578870550694434 Energy: 1.160907552886722 Energy: 1.257887055068956 Energy: 1.1609075528862347 Energy: 1.2578870550694434 Energy: 1.1609075528872097 Energy: 1.1578701692640243 Energy: 1.257127779566611 Energy: 1.1578701692635371 Energy: 1.2571277795641738 Energy: 1.157870169264512 Energy: 1.257127779565636 Energy: 1.1578701692630498 Energy: 1.3069899192030554 Energy: 1.2808428762166384 Energy: 1.3069899192035428 Energy: 1.2808428762185882 Energy: 1.3069899192030554 Energy: 1.2808428762166384 Energy: 1.3069899192030554 Energy: 1.3018610818538192 Energy: 1.3215330594279657 Energy: 1.3018610192483062 Energy: 1.3215330594913326 Energy: 1.3018610969001763 Energy: 1.3215330594265478 Energy: 1.3018609601674105 Energy: 1.2231072110963384 Energy: 1.2722309590906453 Energy: 1.2231072110968257 Energy: 1.272230959091133 Energy: 1.2231072110963384 Energy: 1.2722309590906453 Energy: 1.2231072110973131 Energy: 1.20644484286656 Energy: 1.2963824406553028 Energy: 1.2064448428470622 Energy: 1.2963824406504283 Energy: 1.2064448429153034 Energy: 1.296382440651891 Energy: 1.2064448429269579 Energy: 1.15663961281337 Energy: 1.1618235154772887 Energy: 1.1566396128143448 Energy: 1.1618235154807008 Energy: 1.1566396128138574 Energy: 1.1618235154772887 Energy: 1.1566396128148322 Energy: 1.2790590103302086 Energy: 1.2504801198814646 Energy: 1.2790589849376777 Energy: 1.2504801198804898 Energy: 1.2790589826126446 Energy: 1.2504801198800024 Energy: 1.27905899525558 Energy: 1.2280427857951906 Energy: 1.1866344487256606 Energy: 1.2280427858005525 Energy: 1.186634517453124 Energy: 1.2280427858039644 Energy: 1.1866344306546643 Energy: 1.2280427857937284 Energy: 1.2649686124467219 Energy: 1.304504356243526 Energy: 1.2649686124467219 Energy: 1.30450435625035 Energy: 1.2649686124467219 Energy: 1.304504356244501 Energy: 1.2649686124467219 Energy: 1.1927979010629217 Energy: 1.2460705798562475 Energy: 1.1927979010624343 Energy: 1.2460705798557599 Energy: 1.1927979010634093 Energy: 1.246070579854785 Energy: 1.1927979010624343 Energy: 1.1663716574116965 Energy: 1.24644076436403 Energy: 1.1663716574107215 Energy: 1.24644076436403 Energy: 1.166371657411209 Energy: 1.2464407643645177 Energy: 1.166371657411209 Energy: 1.1637627785035423 Energy: 1.2327690331263004 Energy: 1.1637627785035423 Energy: 1.2327690331219134 Energy: 1.1637627785030549 Energy: 1.2327690331233758 Energy: 1.1637627785035423 Energy: 1.1908577519679582 Energy: 1.2286578426169796 Energy: 1.1908577519669834 Energy: 1.2286578426155172 Energy: 1.1908577519684456 Energy: 1.2286578426169796 Energy: 1.1908577519664958 minimum gb energy = 1.1511565547855547 eV minimum distance = 2.31280537179313 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.4001028645539721 Energy: 1.3126009119826407 Energy: 1.3429023614526165 Energy: 1.3126009119859603 Energy: 1.4001028645180082 Energy: 1.3126009119854072 Energy: 1.3429023614531697 Energy: 1.2868188587580676 Energy: 1.2886498463450355 Energy: 1.1883264534949802 Energy: 1.2833511957499983 Energy: 1.2868188587591742 Energy: 1.2886498463455889 Energy: 1.1883264534955333 Energy: 1.265334458367356 Energy: 1.2751710402190146 Energy: 1.255853082708209 Energy: 1.2752571055554016 Energy: 1.2653344583684625 Energy: 1.2751710402195682 Energy: 1.2558530827093157 Energy: 1.2129204851509543 Energy: 1.3582990534638606 Energy: 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1.2942389046004383 Energy: 1.4007758581562852 Energy: 1.3317010059101066 Energy: 1.2597688533577847 Energy: 1.297623741894339 Energy: 1.260576309777047 Energy: 1.297623741894339 Energy: 1.2597688533566778 Energy: 1.297623741894339 Energy: 1.2605763097764935 Energy: 1.2764111879963247 Energy: 1.3553988359329445 Energy: 1.2704003386626326 Energy: 1.355398835931838 Energy: 1.2764111879979845 Energy: 1.3553988359351574 Energy: 1.2704003386609726 Energy: 1.2377318640526402 Energy: 1.2409446114559002 Energy: 1.2377318640515336 Energy: 1.240944614917449 Energy: 1.2377318640515336 Energy: 1.2409446126510624 Energy: 1.237731864052087 Energy: 1.29794312748853 Energy: 1.2628697542170393 Energy: 1.2155965351862956 Energy: 1.262869754218146 Energy: 1.2979431274863167 Energy: 1.2628697542164862 Energy: 1.2155965351874023 Energy: 1.4001028645960225 Energy: 1.3126009119826407 Energy: 1.3429023614526165 Energy: 1.3126009119815338 Energy: 1.4001028645301807 Energy: 1.3126009119831938 Energy: 1.3429023614515099 Energy: 1.2868188587575142 Energy: 1.2886498463455889 Energy: 1.1883264534955333 Energy: 1.2833511957699169 Energy: 1.286818858758621 Energy: 1.2886498463455889 Energy: 1.1883264534960867 Energy: 1.2653344583668027 Energy: 1.2751710402195682 Energy: 1.2558530827065493 Energy: 1.2752571055554016 Energy: 1.2653344583679094 Energy: 1.2751710402201215 Energy: 1.2558530827093157 Energy: 1.2129204851504012 Energy: 1.3582990534638606 Energy: 1.2129204851520607 Energy: 1.340780817671752 Energy: 1.2129204851504012 Energy: 1.358299053462754 Energy: 1.2129204851515079 Energy: 1.2080595795118856 Energy: 1.321311402245258 Energy: 1.208059579512439 Energy: 1.3214382897739259 Energy: 1.208059579512439 Energy: 1.321311402245258 Energy: 1.2080595795118856 Energy: 1.258091101405202 Energy: 1.3362642617207314 Energy: 1.258091101405202 Energy: 1.3362642617190716 Energy: 1.2580911014063085 Energy: 1.3362642617190716 Energy: 1.2580911014063085 Energy: 1.2489013423547277 Energy: 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1.2409446407972524 Energy: 1.2377318640509805 Energy: 1.2409446417584724 Energy: 1.2377318640515336 Energy: 1.29794312748853 Energy: 1.2628697542175926 Energy: 1.2155965351857423 Energy: 1.2628697542175926 Energy: 1.29794312748687 Energy: 1.2628697542175926 Energy: 1.2155965351874023 Energy: 1.4001028645467795 Energy: 1.3126009119809805 Energy: 1.342902361452063 Energy: 1.3126009119826407 Energy: 1.4001028644666025 Energy: 1.3126009119820872 Energy: 1.3429023614526165 Energy: 1.2868188587575142 Energy: 1.2886498463444822 Energy: 1.1883264534949802 Energy: 1.2833511957787698 Energy: 1.2868188587591742 Energy: 1.2886498463444822 Energy: 1.1883264534960867 Energy: 1.2653344583679094 Energy: 1.2751710402173548 Energy: 1.2558530827076557 Energy: 1.275257105556508 Energy: 1.2653344583684625 Energy: 1.2751710402195682 Energy: 1.2558530827065493 Energy: 1.2129204851498478 Energy: 1.3582990534644137 Energy: 1.212920485152614 Energy: 1.3407808176711986 Energy: 1.2129204851498478 Energy: 1.358299053463307 Energy: 1.2129204851509543 Energy: 1.2080595795113325 Energy: 1.3213114022458112 Energy: 1.2080595795118856 Energy: 1.3214382897728196 Energy: 1.208059579512439 Energy: 1.3213114022463646 Energy: 1.2080595795118856 Energy: 1.2580911014057556 Energy: 1.336264261720178 Energy: 1.2580911014057556 Energy: 1.3362642617190716 Energy: 1.2580911014057556 Energy: 1.3362642617190716 Energy: 1.2580911014057556 Energy: 1.2489013423508548 Energy: 1.3387890985055169 Energy: 1.2489013423508548 Energy: 1.3387890985049635 Energy: 1.248901342351408 Energy: 1.3387890985049635 Energy: 1.2489013423519613 Energy: 1.289556304746678 Energy: 1.3915260941211496 Energy: 1.2804012736429666 Energy: 1.3919029483016179 Energy: 1.289556304746678 Energy: 1.3915260941228096 Energy: 1.2804012736639916 Energy: 1.2942389046308693 Energy: 1.4007758581546252 Energy: 1.3317010059084466 Energy: 1.401493188899185 Energy: 1.2942389046253364 Energy: 1.400775858155732 Energy: 1.3317010059095533 Energy: 1.2597688533577847 Energy: 1.297623741895999 Energy: 1.2605763097759404 Energy: 1.297623741894339 Energy: 1.2597688533561249 Energy: 1.2976237418954455 Energy: 1.260576309777047 Energy: 1.2764111879968782 Energy: 1.3553988359329445 Energy: 1.2704003386620792 Energy: 1.3553988359334979 Energy: 1.2764111879979845 Energy: 1.3553988359351574 Energy: 1.2704003386598661 Energy: 1.2377318640515336 Energy: 1.2409446026076971 Energy: 1.2377318640509805 Energy: 1.2409445870117903 Energy: 1.2377318640504271 Energy: 1.2409446043686259 Energy: 1.237731864052087 Energy: 1.29794312748853 Energy: 1.2628697542164862 Energy: 1.2155965351857423 Energy: 1.262869754218699 Energy: 1.29794312748687 Energy: 1.2628697542192526 Energy: 1.2155965351885087 Energy: 1.4001028645207747 Energy: 1.3126009119820872 Energy: 1.3429023614542763 Energy: 1.3126009119809805 Energy: 1.4001028644837543 Energy: 1.3126009119831938 Energy: 1.3429023614515099 Energy: 1.2868188587580676 Energy: 1.2886498463466953 Energy: 1.1883264534949802 Energy: 1.283351195767704 Energy: 1.2868188587591742 Energy: 1.2886498463483553 Energy: 1.1883264534960867 minimum gb energy = 1.1883264534949802 eV minimum distance = 2.31295265570625 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.303566264214521 Energy: 1.3799339305982758 Energy: 1.30356626421516 Energy: 1.379933930598915 Energy: 1.303566264213882 Energy: 1.3799339305982758 Energy: 1.30356626421516 Energy: 1.2433184523824774 Energy: 1.2114507127623042 Energy: 1.2433184524003662 Energy: 1.2114507127629432 Energy: 1.2433184523843939 Energy: 1.2114507127623042 Energy: 1.2433184523907828 Energy: 1.243895054654975 Energy: 1.3296130150517447 Energy: 1.2438970391785245 Energy: 1.3296130150523837 Energy: 1.2438959665737166 Energy: 1.3296130150536614 Energy: 1.2438957512941053 Energy: 1.2958672169195549 Energy: 1.279520652725887 Energy: 1.2958672169195549 Energy: 1.279520652725887 Energy: 1.2958672169201937 Energy: 1.2795206527252483 Energy: 1.2958672169208325 Energy: 1.2567321973971164 Energy: 1.325964537758693 Energy: 1.2567321973971164 Energy: 1.3259645377548595 Energy: 1.2567321973971164 Energy: 1.3259645377554985 Energy: 1.2567321973971164 Energy: 1.1869524031199874 Energy: 1.2590573673195236 Energy: 1.1869524031193486 Energy: 1.2590573673201624 Energy: 1.1869524031193486 Energy: 1.2590573673208012 Energy: 1.1869524031199874 Energy: 1.198895804608012 Energy: 1.2645222318374496 Energy: 1.198895804608012 Energy: 1.2645222318374496 Energy: 1.1988958046054563 Energy: 1.2645222318374496 Energy: 1.1988958046041787 Energy: 1.3747261803502575 Energy: 1.3221360316794997 Energy: 1.3747261803496185 Energy: 1.3221360316794997 Energy: 1.3747261803502575 Energy: 1.3221360316794997 Energy: 1.3747261803496185 Energy: 1.3814142051417384 Energy: 1.3196286671712225 Energy: 1.3814142051398217 Energy: 1.319628667169306 Energy: 1.3814142051398217 Energy: 1.3196286671712225 Energy: 1.381414205138544 Energy: 1.2171892961568975 Energy: 1.281664388399705 Energy: 1.2171892961511472 Energy: 1.2816643884003438 Energy: 1.217189296148592 Energy: 1.281664388399066 Energy: 1.2171892961505086 Energy: 1.2228620884530121 Energy: 1.2894192105950482 Energy: 1.2228620884530121 Energy: 1.2894192105950482 Energy: 1.2228620884530121 Energy: 1.2894192105950482 Energy: 1.2228620884530121 Energy: 1.3324075994688096 Energy: 1.2706094006479085 Energy: 1.3324075994675317 Energy: 1.2706094006485473 Energy: 1.3324075994681706 Energy: 1.2706094006491861 Energy: 1.332407599466893 Energy: 1.3321226263090151 Energy: 1.2740672052727628 Energy: 1.3321226263090151 Energy: 1.2740672052727628 Energy: 1.3321226263077375 Energy: 1.2740672052727628 Energy: 1.3321226263070987 Energy: 1.208604454645474 Energy: 1.2249193309882076 Energy: 1.2086044546448351 Energy: 1.2249193309888464 Energy: 1.208604454645474 Energy: 1.2249193309888464 Energy: 1.2086044546448351 Energy: 1.306080058091976 Energy: 1.2634710623128653 Energy: 1.306080058091976 Energy: 1.2634710623135041 Energy: 1.306080058091366 Energy: 1.2634710623122263 Energy: 1.306080058091366 Energy: 1.2341394406122652 Energy: 1.2558714538706193 Energy: 1.2341394406122652 Energy: 1.2558714534076294 Energy: 1.2341394406129038 Energy: 1.2558714542001397 Energy: 1.2341394406122652 Energy: 1.2402858847809315 Energy: 1.2422080389574721 Energy: 1.2402858847796536 Energy: 1.2422080389581112 Energy: 1.2402858847809315 Energy: 1.2422080389574721 Energy: 1.2402858847802924 Energy: 1.3010035334723724 Energy: 1.2807062425863311 Energy: 1.3010035334723724 Energy: 1.2807062425952753 Energy: 1.3010035334723724 Energy: 1.2807062425939975 Energy: 1.3010035334717336 Energy: 1.3062550536213033 Energy: 1.3814771502422467 Energy: 1.3062550536206643 Energy: 1.3814771502416079 Energy: 1.3062550536213033 Energy: 1.3814771502422467 Energy: 1.3062550536219422 Energy: 1.270429970624812 Energy: 1.3158693948818185 Energy: 1.2704299706209787 Energy: 1.3158693948811797 Energy: 1.2704299706209787 Energy: 1.3158693948811797 Energy: 1.2704299706241733 Energy: 1.2141136734518738 Energy: 1.2067904041884414 Energy: 1.214113673451235 Energy: 1.2067904041878024 Energy: 1.214113673451235 Energy: 1.2067904041884414 Energy: 1.214113673451235 Energy: 1.247121526361291 Energy: 1.2388703365219609 Energy: 1.24712152636193 Energy: 1.2388703365902927 Energy: 1.24712152636193 Energy: 1.2388703365909317 Energy: 1.247121526360681 Energy: 1.34097049787509 Energy: 1.3506652984652217 Energy: 1.340970497874451 Energy: 1.3506652984645828 Energy: 1.340970497874451 Energy: 1.3506652984645828 Energy: 1.34097049787509 Energy: 1.3423961319362427 Energy: 1.3668942505954775 Energy: 1.3423961318966318 Energy: 1.3668942505954775 Energy: 1.342396131980297 Energy: 1.3668942505935608 Energy: 1.342396131930493 Energy: 1.2331145970059387 Energy: 1.2472517774523295 Energy: 1.2331145970072166 Energy: 1.2472517774510519 Energy: 1.2331145970053 Energy: 1.2472517774516907 Energy: 1.2331145970072166 Energy: 1.3339112011022782 Energy: 1.2530462430688962 Energy: 1.3339111600279339 Energy: 1.2530462430542018 Energy: 1.333911209166544 Energy: 1.2530462430688962 Energy: 1.3339112395960118 Energy: 1.3093603272939196 Energy: 1.3091867161814301 Energy: 1.2908159523732041 Energy: 1.309186716182069 Energy: 1.3093603272932806 Energy: 1.3091867161814301 Energy: 1.2908159523744818 Energy: 1.2578043008997697 Energy: 1.2645304929979062 Energy: 1.2578043009004087 Energy: 1.2645304929979062 Energy: 1.2578043009004087 Energy: 1.2645304929979062 Energy: 1.2578043009004087 Energy: 1.2031841989180465 Energy: 1.2247073618640705 Energy: 1.2031841989174077 Energy: 1.2247073618627926 Energy: 1.2031841989174077 Energy: 1.2247073618634317 Energy: 1.2031841989174077 Energy: 1.388730734412235 Energy: 1.3111469970863205 Energy: 1.3887307344109574 Energy: 1.3111469970869596 Energy: 1.3887307344115962 Energy: 1.311146997085043 Energy: 1.388730734412235 Energy: 1.3169593134290265 Energy: 1.3225638654313552 Energy: 1.3169593134290265 Energy: 1.3225638654319942 Energy: 1.3169593134290265 Energy: 1.3225638654319942 Energy: 1.3169593134290265 Energy: 1.2330244848890408 Energy: 1.2891155090853987 Energy: 1.2330244848896796 Energy: 1.2891155090841209 Energy: 1.2330244848890408 Energy: 1.2891155090841209 Energy: 1.2330244848896796 Energy: 1.2190479482495022 Energy: 1.2885096107872436 Energy: 1.2190479482552525 Energy: 1.2885096107872436 Energy: 1.2190479482495022 Energy: 1.2885096107866045 Energy: 1.219047948246308 Energy: 1.326818340469962 Energy: 1.3684656695071118 Energy: 1.3268183404706009 Energy: 1.368465669506473 Energy: 1.326818340469962 Energy: 1.368465669506473 Energy: 1.3268183404706009 Energy: 1.2159071215113126 Energy: 1.294163697783128 Energy: 1.2159071215113126 Energy: 1.2941636977824889 Energy: 1.2159071215113126 Energy: 1.2941636977824889 Energy: 1.2159071215106738 Energy: 1.1892038827644786 Energy: 1.2267268939420666 Energy: 1.1892038827651175 Energy: 1.2267268939414278 Energy: 1.1892038827663953 Energy: 1.2267268939414278 Energy: 1.1892038827644786 minimum gb energy = 1.1869524031193486 eV minimum distance = 2.23803051724742 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.275175213875178 Energy: 1.3319461294961241 Energy: 1.275175213874424 Energy: 1.3319461294961241 Energy: 1.275175213874424 Energy: 1.331946129496878 Energy: 1.275175213874424 Energy: 1.2706184532710227 Energy: 1.1335970514914386 Energy: 1.2706184532702687 Energy: 1.1335970514906843 Energy: 1.2706184532695148 Energy: 1.1335970514906843 Energy: 1.2706184532702687 Energy: 1.242371781583752 Energy: 1.2153497954496204 Energy: 1.2423717815829982 Energy: 1.2153497954496204 Energy: 1.2423717815845061 Energy: 1.2153497954488666 Energy: 1.242371781583752 Energy: 1.3875753943417215 Energy: 1.1252924645464217 Energy: 1.3875753943424753 Energy: 1.1252924645471758 Energy: 1.3875753943424753 Energy: 1.125292464544948 Energy: 1.3875753943447375 Energy: 1.2936769228173717 Energy: 1.132820864580826 Energy: 1.2936769228181255 Energy: 1.1328208645815798 Energy: 1.2936769228173717 Energy: 1.1328208645815798 Energy: 1.2936769228166174 Energy: 1.2927897726050663 Energy: 1.1924003147783422 Energy: 1.2927897726058202 Energy: 1.1924003147790965 Energy: 1.2927897726065742 Energy: 1.1924003147790965 Energy: 1.2927897726050663 Energy: 1.230033515180736 Energy: 1.2394288973931598 Energy: 1.230033515180736 Energy: 1.2394288973931598 Energy: 1.230033515179982 Energy: 1.2394288973931598 Energy: 1.230033515179982 Energy: 1.2875199033702744 Energy: 1.213433839020521 Energy: 1.2875199033710285 Energy: 1.213433839019767 Energy: 1.2875199033702744 Energy: 1.213433839019767 Energy: 1.2875199033710285 Energy: 1.30768740189144 Energy: 1.1854938186263362 Energy: 1.3076874018823916 Energy: 1.1854938186255821 Energy: 1.3076874018899316 Energy: 1.1854938186233202 Energy: 1.3076874018831457 Energy: 1.1879257812502106 Energy: 1.3024933780707293 Energy: 1.1879257812494568 Energy: 1.3024933780699754 Energy: 1.1879257812494568 Energy: 1.302493378068467 Energy: 1.1879257812487027 Energy: 1.3259629034868488 Energy: 1.2507344908961515 Energy: 1.2183481933850562 Energy: 1.2507344908961515 Energy: 1.3259629034845866 Energy: 1.2507344908953975 Energy: 1.28403434580476 Energy: 1.2298573953060166 Energy: 1.125581856338418 Energy: 1.2298573953060166 Energy: 1.1255818563376638 Energy: 1.2298573953060166 Energy: 1.1255818563369098 Energy: 1.2298573953060166 Energy: 1.243743369425839 Energy: 1.1293412098953879 Energy: 1.2437433661284827 Energy: 1.1293412098946338 Energy: 1.2437433678016663 Energy: 1.1293412098946338 Energy: 1.2437433668701203 Energy: 1.1883389719321213 Energy: 1.1249137951373598 Energy: 1.1883389719336293 Energy: 1.1249137951373598 Energy: 1.1883389719343835 Energy: 1.1249137951373598 Energy: 1.1883389719321213 Energy: 1.2826118901515409 Energy: 1.1859193049373056 Energy: 1.2826118901530488 Energy: 1.1859193049357972 Energy: 1.2826118901515409 Energy: 1.1859193049365515 Energy: 1.2826118901515409 Energy: 1.1955680129454695 Energy: 1.1991793707771263 Energy: 1.1955680129462234 Energy: 1.1991793707786345 Energy: 1.1955680129454695 Energy: 1.1991793707793883 Energy: 1.1955680129447155 Energy: 1.2754874274911083 Energy: 1.2173118855513003 Energy: 1.2754887598851417 Energy: 1.2173118855513003 Energy: 1.27548686092963 Energy: 1.2173118855513003 Energy: 1.275487709870051 Energy: 1.264767042223654 Energy: 1.2138444359656027 Energy: 1.2647670422229 Energy: 1.2138444359648488 Energy: 1.2647670422229 Energy: 1.2138444359656027 Energy: 1.264767042223654 Energy: 1.256811698525299 Energy: 1.2276169222238082 Energy: 1.2568116985260531 Energy: 1.227616922086647 Energy: 1.256811698527561 Energy: 1.2276169221070055 Energy: 1.2568116985260531 Energy: 1.183196385375001 Energy: 1.2776334755368677 Energy: 1.183196385375001 Energy: 1.2776334755391299 Energy: 1.1831963853742469 Energy: 1.277633475538376 Energy: 1.183196385375001 Energy: 1.2998847489207515 Energy: 1.1245114260483569 Energy: 1.2998847489215055 Energy: 1.1245114260483569 Energy: 1.2998847489230134 Energy: 1.1245114260468487 Energy: 1.2998847489207515 Energy: 1.2294403417575404 Energy: 1.1246808845889866 Energy: 1.2294403417575404 Energy: 1.1246808845889866 Energy: 1.2294403417582944 Energy: 1.1246808845882326 Energy: 1.2294403417575404 Energy: 1.2822835124274399 Energy: 1.1627114942176655 Energy: 1.282283512428194 Energy: 1.1627114942191734 Energy: 1.2822835124274399 Energy: 1.1627114942184196 Energy: 1.2822835124289478 Energy: 1.2663479900961754 Energy: 1.1307639188375824 Energy: 1.2663479900946675 Energy: 1.1307639188353205 Energy: 1.2663479900954213 Energy: 1.1307639188368284 Energy: 1.2663479900954213 Energy: 1.3165865918320059 Energy: 1.1928694380761615 Energy: 1.316586591830498 Energy: 1.1928694380769156 Energy: 1.3165865918312518 Energy: 1.1928694380769156 Energy: 1.3165865918320059 Energy: 1.3123256330189796 Energy: 1.2147080212600125 Energy: 1.3123256330189796 Energy: 1.2147080212585044 Energy: 1.3123256330182258 Energy: 1.2147080212600125 Energy: 1.3123256330189796 Energy: 1.29770206852605 Energy: 1.2941760310648778 Energy: 1.29770206852605 Energy: 1.2941760310641237 Energy: 1.29770206852605 Energy: 1.2941760310641237 Energy: 1.2977020685275582 Energy: 1.2700884338685754 Energy: 1.1885642895313993 Energy: 1.2700884338685754 Energy: 1.1885642895306452 Energy: 1.2700884338678213 Energy: 1.1885642895306452 Energy: 1.2700884338678213 Energy: 1.2751752138736698 Energy: 1.3319461294961241 Energy: 1.2751752138729158 Energy: 1.3319461294961241 Energy: 1.2751752138736698 Energy: 1.331946129496878 Energy: 1.2751752138736698 Energy: 1.2706184532710227 Energy: 1.1335970514914386 Energy: 1.2706184532702687 Energy: 1.1335970514906843 Energy: 1.2706184532702687 Energy: 1.1335970514914386 Energy: 1.2706184532702687 minimum gb energy = 1.1245114260468487 eV minimum distance = 2.28167469497425 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.206940921831639 Energy: 1.4542727798327109 Energy: 1.206940921832554 Energy: 1.4542727798317956 Energy: 1.206940921831639 Energy: 1.4542727798327109 Energy: 1.206940921831639 Energy: 1.1285336427269388 Energy: 1.0898758943731501 Energy: 1.1285336427059067 Energy: 1.0898758943731501 Energy: 1.1285336428092978 Energy: 1.0898758943731501 Energy: 1.1285336429822128 Energy: 1.2029297985498568 Energy: 1.1205033482143367 Energy: 1.202929798531571 Energy: 1.1205033482216595 Energy: 1.2029297985535183 Energy: 1.1205033482198288 Energy: 1.2029297985205871 Energy: 1.058304534065685 Energy: 1.1285164299725772 Energy: 1.058304533559734 Energy: 1.1285164299725772 Energy: 1.0583045435315293 Energy: 1.1285164299734927 Energy: 1.0583045206235668 Energy: 1.0425864218426553 Energy: 1.2326437158812318 Energy: 1.0425864218426553 Energy: 1.2326437158803165 Energy: 1.04258642184174 Energy: 1.232643715879401 Energy: 1.0425864218435708 Energy: 1.1562666401377006 Energy: 1.1217319908618797 Energy: 1.1562666401395314 Energy: 1.1217319908554726 Energy: 1.1562666401377006 Energy: 1.1217319908618797 Energy: 1.1562666401358699 Energy: 1.0070742349767878 Energy: 1.1519426099222885 Energy: 1.0070742349767878 Energy: 1.151942609921373 Energy: 1.0070742349767878 Energy: 1.1519426099204575 Energy: 1.0070742349777033 Energy: 1.0550745998892501 Energy: 1.1061294771317436 Energy: 1.0550745998883349 Energy: 1.1061294771317436 Energy: 1.0550745998883349 Energy: 1.1061294771317436 Energy: 1.0550745998883349 Energy: 1.1324905822414164 Energy: 1.1148521170995185 Energy: 1.1324905822414164 Energy: 1.114852117097688 Energy: 1.132490582240501 Energy: 1.1148521170995185 Energy: 1.1324905822414164 Energy: 1.08148714827635 Energy: 1.3415696952394514 Energy: 1.0814871482754345 Energy: 1.3415696952394514 Energy: 1.08148714827635 Energy: 1.3415696952403664 Energy: 1.0814871482754345 Energy: 1.0102151450623842 Energy: 1.1511794074883257 Energy: 1.0102151450642147 Energy: 1.151179407489241 Energy: 1.0102151450651302 Energy: 1.151179407489241 Energy: 1.0102151450632997 Energy: 1.0550729410512016 Energy: 1.1060276372521998 Energy: 1.0550729410512016 Energy: 1.1060276372521998 Energy: 1.0550729410512016 Energy: 1.106027637253115 Energy: 1.0550729410512016 Energy: 1.0700553518483085 Energy: 1.0824124195049203 Energy: 1.0700553518473932 Energy: 1.0824124195049203 Energy: 1.0700553518473932 Energy: 1.0824124195049203 Energy: 1.0700553518473932 Energy: 1.1761575029845874 Energy: 1.364117391303459 Energy: 1.1761575029855027 Energy: 1.364117391303459 Energy: 1.1761575029845874 Energy: 1.3641173913025435 Energy: 1.1761575029845874 Energy: 1.1516829386504226 Energy: 1.0994452493462454 Energy: 1.1516829394354253 Energy: 1.0994452493462454 Energy: 1.1516829387528982 Energy: 1.0994452493462454 Energy: 1.1516829388965224 Energy: 1.123691908548126 Energy: 1.069489587646026 Energy: 1.1236919085572794 Energy: 1.0694895874685342 Energy: 1.12369190854538 Energy: 1.069489587419127 Energy: 1.1236919085572794 Energy: 1.1426738408794865 Energy: 1.0780305242751722 Energy: 1.142673840881317 Energy: 1.0780305242751722 Energy: 1.142673840881317 Energy: 1.0780305242751722 Energy: 1.1426738408831476 Energy: 1.2064924184240267 Energy: 1.180592599709424 Energy: 1.2064924184231112 Energy: 1.1805925666229047 Energy: 1.2064924184240267 Energy: 1.1805925824767618 Energy: 1.2064924184231112 Energy: 1.1179189724316316 Energy: 1.0955292852930938 Energy: 1.1179189724325471 Energy: 1.0955292852930938 Energy: 1.1179189724316316 Energy: 1.0955292852930938 Energy: 1.1179189724325471 Energy: 1.054330873918717 Energy: 1.0574241389603973 Energy: 1.054330873919632 Energy: 1.0574241389603973 Energy: 1.0543308739168862 Energy: 1.0574241389603973 Energy: 1.0543308739178014 Energy: 1.1291731834498449 Energy: 1.1510507882644614 Energy: 1.1291731834498449 Energy: 1.1510507882644614 Energy: 1.1291731834498449 Energy: 1.1510507882644614 Energy: 1.1291731834498449 Energy: 1.008507585579486 Energy: 1.1291890619133627 Energy: 1.008507585580401 Energy: 1.1291890560605706 Energy: 1.008507585579486 Energy: 1.1291890609517623 Energy: 1.008507585580401 Energy: 1.0407078117539819 Energy: 1.092776862723547 Energy: 1.0407078117777597 Energy: 1.0927768627226524 Energy: 1.0407078117439132 Energy: 1.092776862723547 Energy: 1.0407078117420825 Energy: 1.1548214819179545 Energy: 1.0549446743965387 Energy: 1.1548214819188698 Energy: 1.0549446742410151 Energy: 1.1548214819188698 Energy: 1.0549446744002002 Energy: 1.1548214819188698 Energy: 1.0771999230851765 Energy: 1.102732716889419 Energy: 1.0771999230851765 Energy: 1.102732716889419 Energy: 1.0771999230851765 Energy: 1.102732716888504 Energy: 1.0771999230860918 minimum gb energy = 1.0070742349767878 eV minimum distance = 2.32436923596891 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0265737084028823 Energy: 1.0861256030432551 Energy: 1.0265737084493232 Energy: 1.0861256188995994 Energy: 1.0265737084513664 Energy: 1.0861256048237922 Energy: 1.0265737084365982 Energy: 1.0397031312338505 Energy: 0.9634746403041516 Energy: 1.0397031312277205 Energy: 0.9634746403041516 Energy: 1.0397031312323182 Energy: 0.9634746403082385 Energy: 1.0397031312358942 Energy: 1.0486043410106838 Energy: 1.464113550781135 Energy: 1.0486043160832152 Energy: 1.4641135507836893 Energy: 1.048604344441584 Energy: 1.464113550781135 Energy: 1.0486043229960078 Energy: 0.9715091495562469 Energy: 0.9574258826189861 Energy: 0.9715091495521601 Energy: 0.9574259379156597 Energy: 0.9715091495516492 Energy: 0.9574259039486465 Energy: 0.971509149559312 Energy: 0.9469457659472531 Energy: 1.0076151287875572 Energy: 0.9469457657884723 Energy: 1.007615128735451 Energy: 0.946945766059593 Energy: 1.0076151287921549 Energy: 0.9469457657424959 Energy: 0.9414061623979881 Energy: 0.9801219111742107 Energy: 0.9414061624020748 Energy: 0.980121911154334 Energy: 0.9414061623995206 Energy: 0.9801219111548449 Energy: 0.9414061624066725 Energy: 0.9597220416982887 Energy: 0.941128086383647 Energy: 0.9597220416844958 Energy: 0.9411280863366952 Energy: 0.959722041700843 Energy: 0.9411280863718974 Energy: 0.9597220416855176 Energy: 0.9786241996530285 Energy: 1.0018304065640362 Energy: 0.9786241996535393 Energy: 1.001830406560971 Energy: 0.9786241996530285 Energy: 1.0018304065640362 Energy: 0.9786241996540501 Energy: 0.9925826738970115 Energy: 0.9505293669798418 Energy: 0.9925826738883271 Energy: 0.9505293669834178 Energy: 0.9925826738689147 Energy: 0.9505293669834178 Energy: 0.9925826738745341 Energy: 0.9786683302568694 Energy: 0.9375656742870081 Energy: 0.9786683302558477 Energy: 0.9375656742854754 Energy: 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1.147363143476973 Energy: 0.9353647803823856 Energy: 1.1473631434790166 Energy: 0.9353647803828964 Energy: 1.147363143476973 Energy: 0.9353647803818748 Energy: 1.1473631434785057 Energy: 0.9337625188475405 Energy: 0.9142350114190092 Energy: 0.9337625188485621 Energy: 0.9142350114190092 Energy: 0.9337625188465188 Energy: 0.914235011420031 Energy: 0.9337625188480512 Energy: 0.946410145139605 Energy: 0.9505149747967192 Energy: 0.9464101451375615 Energy: 0.9505149747962083 Energy: 0.946410145139605 Energy: 0.9505149747962083 Energy: 0.9464101451375615 Energy: 0.8974520794211143 Energy: 1.1983480386619272 Energy: 0.8974520794226467 Energy: 1.1983480375130304 Energy: 0.8974520794246901 Energy: 1.1983480375901219 Energy: 0.8974520794246901 Energy: 0.9369086162174951 Energy: 0.9365890270697944 Energy: 0.9369086162190277 Energy: 0.9365890270697944 Energy: 0.9369086162169841 Energy: 0.9365890270703052 Energy: 0.9369086162195385 Energy: 0.9425262891584436 Energy: 0.9055832291923194 Energy: 0.942526289159976 Energy: 0.9055832291943628 Energy: 0.9425262891579328 Energy: 0.9055832291918087 Energy: 0.942526289157422 Energy: 0.9382931379871399 Energy: 1.1234941580168087 Energy: 0.938293137986118 Energy: 1.123494158012722 Energy: 0.938293137986629 Energy: 1.1234941580178304 Energy: 0.9382931379876507 Energy: 0.8984394016257381 Energy: 0.9147416869153516 Energy: 0.8984394016267595 Energy: 0.9147416869163735 Energy: 0.8984394016247162 Energy: 0.914741686914841 Energy: 0.8984394016267595 Energy: 0.9365879656732419 Energy: 0.9485991341972894 Energy: 0.9365879656706877 Energy: 0.9485991341972894 Energy: 0.9365879656732419 Energy: 0.9485991341978002 Energy: 0.9365879656711985 minimum gb energy = 0.8954975915157766 eV minimum distance = 2.29787911999421 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 1.9934500465250025 Energy: 1.0888458712908193 Energy: 1.993450046573351 Energy: 1.0888458712908193 Energy: 1.9934500464674405 Energy: 1.0888458712908193 Energy: 1.9934500465572522 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 1.9934500463822618 Energy: 1.0888458712908193 Energy: 1.9934500465503415 Energy: 1.0888458712908193 Energy: 1.9934500464087261 Energy: 1.0888458712908193 Energy: 1.9934500464708957 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 1.9934500464939309 Energy: 1.0888458712908193 Energy: 1.9934500465618594 Energy: 1.0888458712908193 Energy: 1.9934500465203957 Energy: 1.0888458712908193 Energy: 1.9934500464927793 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 1.993450046572199 Energy: 1.0888458712908193 Energy: 1.9934500465088778 Energy: 1.0888458712908193 Energy: 1.9934500465687435 Energy: 1.0888458712908193 Energy: 1.9934500465756544 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 1.9934500465399758 Energy: 1.0888458712908193 Energy: 1.993450046573351 Energy: 1.0888458712908193 Energy: 1.993450046572199 Energy: 1.0888458712908193 Energy: 1.993450046572199 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 1.9934500464939309 Energy: 1.0888458712908193 Energy: 1.9934500465422793 Energy: 1.0888458712908193 Energy: 1.993450046477806 Energy: 1.0888458712908193 Energy: 1.9934500464973863 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 1.993450046394905 Energy: 1.0888458712908193 Energy: 1.9934500464674405 Energy: 1.0888458712908193 Energy: 1.993450046573351 Energy: 1.0888458712908193 Energy: 1.9934500465595557 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 1.9934500464398237 Energy: 1.0888458712908193 Energy: 1.993450046513485 Energy: 1.0888458712908193 Energy: 1.9934500464236995 Energy: 1.0888458712908193 Energy: 1.9934500465618594 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 0.3414531185924515 Energy: 0.32516613582319154 Energy: 1.9934500463822618 Energy: 1.0888458712908193 Energy: 1.9934500461404947 Energy: 1.0888458712908193 Energy: 1.9934500463523155 Energy: 1.0888458712908193 Energy: 1.9934500465503415 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 0.3414531185924515 Energy: 0.3251661358220398 Energy: 1.9934500464962344 Energy: 1.0888458712908193 Energy: 1.9934500465365206 Energy: 1.0888458712908193 Energy: 1.9934500465768061 Energy: 1.0888458712908193 Energy: 1.9934500465549487 minimum gb energy = 0.3251661358220398 eV minimum distance = 2.3013816060852 Angstroms sigma value = 23