Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_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=2.851000025868416 cohesive_energy=4.290337340197516 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: 0.016325426217353257 Energy: 0.1949242191516727 Energy: 0.01632542621694157 Energy: 0.1949242191520844 Energy: 0.01632542621694157 Energy: 0.1949242191520844 Energy: 0.01632542621694157 Energy: 0.016936138278155904 Energy: 0.6418067915611961 Energy: 0.016936138278155904 Energy: 0.6418067915607846 Energy: 0.016936138278155904 Energy: 0.6418067915611961 Energy: 0.016936138278567592 Energy: 1.1109750530082827 Energy: 0.5933424844311058 Energy: 1.441252964391438 Energy: 0.5933424844315175 Energy: 0.016621116266641714 Energy: 0.5933424844315175 Energy: 0.016621116266641714 Energy: 0.016936138278155904 Energy: 0.6418067915603728 Energy: 0.016936138278155904 Energy: 0.6418067915607846 Energy: 0.016936138278155904 Energy: 0.6418067915607846 Energy: 0.016936138278155904 Energy: 0.016325426217353257 Energy: 0.1949242191520844 Energy: 0.01632542621694157 Energy: 0.1949242191520844 Energy: 0.01632542621694157 Energy: 0.1949242191520844 Energy: 0.01632542621694157 Energy: 0.016936138278155904 Energy: 0.6418067915607846 Energy: 0.016936138278155904 Energy: 0.6418067915611961 Energy: 0.016936138278155904 Energy: 0.6418067915607846 Energy: 0.016936138278155904 minimum gb energy = 0.01632542621694157 eV minimum distance = 2.46528423714461 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.316170381318747 Energy: 1.359352699266026 Energy: 1.3161703812892407 Energy: 1.3593526992645508 Energy: 1.316170381345795 Energy: 1.359352699266026 Energy: 1.3161703813752565 Energy: 1.2558845574831436 Energy: 1.204455587339296 Energy: 1.2558845574851107 Energy: 1.2044556380871525 Energy: 1.2558845574831436 Energy: 1.2044559398524946 Energy: 1.2558845574851107 Energy: 1.147127148185833 Energy: 1.1992704358837614 Energy: 1.1471271481873082 Energy: 1.1992704358837614 Energy: 1.1471271481868166 Energy: 1.199270435882778 Energy: 1.1471271481868166 Energy: 1.1574252782388825 Energy: 1.2530209376457877 Energy: 1.1574252782383907 Energy: 1.253020937647263 Energy: 1.1574252782383907 Energy: 1.2530209376452959 Energy: 1.1574252782378989 Energy: 1.147454192177552 Energy: 1.2192647825119294 Energy: 1.1474541921687 Energy: 1.2192647825119294 Energy: 1.1474541921505041 Energy: 1.2192647825119294 Energy: 1.1474541921475538 Energy: 1.1623477861783442 Energy: 1.2673182188088576 Energy: 1.1623477861768687 Energy: 1.267318218808366 Energy: 1.1623477861773606 Energy: 1.267318218806399 Energy: 1.1623477861788358 Energy: 1.2393995893975835 Energy: 1.2672752533946612 Energy: 1.2393995893956162 Energy: 1.2672752533956446 Energy: 1.2393995893970915 Energy: 1.26727525339712 Energy: 1.2393995894010261 Energy: 1.1853495413234478 Energy: 1.2540583304924664 Energy: 1.1853495413224642 Energy: 1.2540583304924664 Energy: 1.185349541322956 Energy: 1.254058330492958 Energy: 1.185349541324923 Energy: 1.2025998734530865 Energy: 1.2505037283889369 Energy: 1.202599873456037 Energy: 1.2505037283859861 Energy: 1.2025998734530865 Energy: 1.2505037283889369 Energy: 1.2025998734555452 Energy: 1.1370533809440238 Energy: 1.1333551331710903 Energy: 1.137053380945991 Energy: 1.1333551331681846 Energy: 1.1370533809430403 Energy: 1.1333551331705987 Energy: 1.137053380945499 Energy: 1.1954508971676792 Energy: 1.1710302613341776 Energy: 1.1954508971666955 Energy: 1.1710302675170001 Energy: 1.1954508971676792 Energy: 1.1710302679210605 Energy: 1.1954508971666955 Energy: 1.2089313184476902 Energy: 1.153915153380559 Energy: 1.2089313184501491 Energy: 1.153915153470509 Energy: 1.2089313184486739 Energy: 1.1539151540082877 Energy: 1.2089313184491655 Energy: 1.205603559158991 Energy: 1.2890563894918086 Energy: 1.2056035591594383 Energy: 1.2890563894923004 Energy: 1.2056035591594383 Energy: 1.2890563894927922 Energy: 1.2056035591594383 Energy: 1.1977220447838288 Energy: 1.1991522552499498 Energy: 1.1977220447843206 Energy: 1.199152255251425 Energy: 1.1977220447828452 Energy: 1.1991522552509335 Energy: 1.1977220447828452 Energy: 1.149036960247427 Energy: 1.2136499604523878 Energy: 1.149036960247919 Energy: 1.213649960384523 Energy: 1.1490369602464434 Energy: 1.2136499603889488 Energy: 1.1490369602498858 Energy: 1.139727244419598 Energy: 1.207802252444663 Energy: 1.1397272444210735 Energy: 1.2078022524456464 Energy: 1.1397272444200899 Energy: 1.2078022524441712 Energy: 1.1397272444215656 Energy: 1.2709202770237564 Energy: 1.1834507716851732 Energy: 1.2709202770212977 Energy: 1.1834507716832063 Energy: 1.2709202770237564 Energy: 1.1834507716822227 Energy: 1.2709202770212977 Energy: 1.1680050946033143 Energy: 1.2001916432845363 Energy: 1.1680050946003637 Energy: 1.2001916432815856 Energy: 1.1680050945217244 Energy: 1.2001916432835529 Energy: 1.168005094553153 Energy: 1.2555328408943478 Energy: 1.2054610679976125 Energy: 1.2555328408968065 Energy: 1.2054610679956903 Energy: 1.2555328408953312 Energy: 1.2054610679961821 Energy: 1.255532840896315 Energy: 1.2434387799329698 Energy: 1.2027519665144153 Energy: 1.2434387799314945 Energy: 1.2027519665178577 Energy: 1.243438779934445 Energy: 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1.2038148948230203 Energy: 1.3279977670969056 Energy: 1.2038148933139405 Energy: 1.3279977670988727 Energy: 1.2313333586408985 Energy: 1.2352969925931345 Energy: 1.170929561252066 Energy: 1.2352969925931345 Energy: 1.1709295612550168 Energy: 1.2352969925931345 Energy: 1.1709295612505908 Energy: 1.2352969925931345 Energy: 1.1345889902468544 Energy: 1.1731284979282355 Energy: 1.1345889902493134 Energy: 1.1731284979277437 Energy: 1.13458899024833 Energy: 1.1731284979257766 Energy: 1.13458899024833 Energy: 1.1402102505640686 Energy: 1.218572692221359 Energy: 1.140210250565052 Energy: 1.2185726922228346 Energy: 1.140210250563085 Energy: 1.218572692221359 Energy: 1.1402102505660356 Energy: 1.1496088392810073 Energy: 1.2139646388939695 Energy: 1.1496088392829746 Energy: 1.2139646388954448 Energy: 1.1496088392824828 Energy: 1.2139646388944612 Energy: 1.1496088392824828 Energy: 1.2452447576917487 Energy: 1.2677481741958647 Energy: 1.2452447576912569 Energy: 1.2677481741943895 Energy: 1.245244757690765 Energy: 1.2677481741963568 Energy: 1.245244757690765 Energy: 1.2989212320992132 Energy: 1.2680406693014954 Energy: 1.2989212320992132 Energy: 1.268040669298053 Energy: 1.2989212320997048 Energy: 1.2680406693348916 Energy: 1.2989212321011803 Energy: 1.1795303098823111 Energy: 1.2517134497465723 Energy: 1.1795303098828027 Energy: 1.2517134497470639 Energy: 1.179530309879852 Energy: 1.2517134497470639 Energy: 1.1795303098788683 Energy: 1.194363560693011 Energy: 1.2555054396208452 Energy: 1.1943635606895686 Energy: 1.25550543961937 Energy: 1.1943635606939946 Energy: 1.2555054396203535 Energy: 1.1943635606925194 Energy: 1.1647517384594859 Energy: 1.1496487868697527 Energy: 1.1647517384575188 Energy: 1.1496487868692609 Energy: 1.1647517384594859 Energy: 1.1496487868697527 Energy: 1.164751738457027 Energy: 1.2837837039437752 Energy: 1.218405443571491 Energy: 1.2837837039447586 Energy: 1.2184054435724747 Energy: 1.2837837039432833 Energy: 1.2184054435729663 Energy: 1.2837837039447586 Energy: 1.197577047785591 Energy: 1.196940374762922 Energy: 1.1975770477841157 Energy: 1.1969403200585542 Energy: 1.1975770477870666 Energy: 1.1969403341966913 Energy: 1.197577047785591 Energy: 1.2348877988475777 Energy: 1.2563866526641958 Energy: 1.2348877988431517 Energy: 1.2563866526641958 Energy: 1.2348877988465943 Energy: 1.2563866526641958 Energy: 1.2348877988461024 Energy: 1.1747139920982146 Energy: 1.212861559725462 Energy: 1.1747139920987062 Energy: 1.2128615597264456 Energy: 1.1747139920982146 Energy: 1.212861559725954 Energy: 1.174713992099198 Energy: 1.1461408727991662 Energy: 1.2205672698705932 Energy: 1.1461408727962155 Energy: 1.220567269868626 Energy: 1.1461408727986744 Energy: 1.2205672698705932 Energy: 1.1461408727971991 Energy: 1.1418238213571414 Energy: 1.1859421120801483 Energy: 1.1418238213596001 Energy: 1.185942112078673 Energy: 1.1418238213581249 Energy: 1.185942112081132 Energy: 1.1418238213591085 Energy: 1.169247752289586 Energy: 1.2022755473441746 Energy: 1.1692477522890945 Energy: 1.2022755473412239 Energy: 1.1692477522905698 Energy: 1.2022755473426994 Energy: 1.1692477522890945 minimum gb energy = 1.1326110136590237 eV minimum distance = 2.31868586484213 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.302475111558316 Energy: 1.2980448404145681 Energy: 1.30247511155385 Energy: 1.2980448404156846 Energy: 1.3024751115577575 Energy: 1.2980448404156846 Energy: 1.3024751115672473 Energy: 1.1692916683867782 Energy: 1.2747931600008902 Energy: 1.1692916683895693 Energy: 1.2747931600042395 Energy: 1.1692916683884529 Energy: 1.2747931600031233 Energy: 1.1692916683906858 Energy: 1.2264376331028197 Energy: 1.2165290550195191 Energy: 1.2264376331039364 Energy: 1.2165290550184025 Energy: 1.2264376331022615 Energy: 1.2165290550184025 Energy: 1.2264376331017033 Energy: 1.1363830716542715 Energy: 1.2438438859389582 Energy: 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1.2629757352563995 Energy: 1.267054867338931 Energy: 1.262975735255283 Energy: 1.1860260409227534 Energy: 1.2252710990614302 Energy: 1.1860260409205206 Energy: 1.2252710990614302 Energy: 1.1860260409216368 Energy: 1.2252710990614302 Energy: 1.1860260409233117 Energy: 1.1714287173199052 Energy: 1.2613043939999518 Energy: 1.1714287173176723 Energy: 1.2613043940010678 Energy: 1.1714287173199052 Energy: 1.261304393998835 Energy: 1.1714287173210216 Energy: 1.1743640526251506 Energy: 1.1776761308752504 Energy: 1.174364052626267 Energy: 1.177676130881949 Energy: 1.174364052626267 Energy: 1.1776761308746924 Energy: 1.174364052626267 Energy: 1.240865065193608 Energy: 1.2007919466634844 Energy: 1.2408650651947244 Energy: 1.200791946662368 Energy: 1.2408650651969573 Energy: 1.2007919466618098 Energy: 1.2408650651969573 Energy: 1.3495358873773615 Energy: 1.2734983908385535 Energy: 1.3495358873745706 Energy: 1.27349839083967 Energy: 1.3495358873784782 Energy: 1.27349839083967 Energy: 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Energy: 1.2291533257407992 Energy: 1.225413882873497 Energy: 1.2291533257385663 Energy: 1.2254138828746137 Energy: 1.229153325740241 Energy: 1.2602226475482203 Energy: 1.2677078559795185 Energy: 1.2602226475471041 Energy: 1.2677078559784019 Energy: 1.260222647546546 Energy: 1.2677078559800765 Energy: 1.2602226475471041 Energy: 1.2623050819340498 Energy: 1.2599507828073018 Energy: 1.2623050819362827 Energy: 1.2599507828067433 Energy: 1.2623050819362827 Energy: 1.2599507828061853 Energy: 1.2623050819357244 Energy: 1.2017745293217177 Energy: 1.2252710990619884 Energy: 1.2017745293211592 Energy: 1.2252710990631048 Energy: 1.2017745293183684 Energy: 1.2252710990619884 Energy: 1.2017745293200428 Energy: 1.1716610124949216 Energy: 1.2613043939993933 Energy: 1.1716610124960383 Energy: 1.261304393998835 Energy: 1.1716610124938056 Energy: 1.2613043939993933 Energy: 1.1716610124938056 Energy: 1.1743640526268253 Energy: 1.1776761308746924 Energy: 1.1743640526273835 Energy: 1.1776761308797163 Energy: 1.1743640526268253 Energy: 1.177676130873576 Energy: 1.1743640526273835 Energy: 1.2442156125973212 Energy: 1.2007919466629264 Energy: 1.2442156125962045 Energy: 1.200791946662368 Energy: 1.2442156125967627 Energy: 1.2007919466629264 Energy: 1.2442156125973212 Energy: 1.3024751115560829 Energy: 1.2980448404151264 Energy: 1.302475111556641 Energy: 1.2980448404162428 Energy: 1.3024751115555246 Energy: 1.2980448404162428 Energy: 1.302475111553292 Energy: 1.1692916683878947 Energy: 1.2747931600020066 Energy: 1.1692916683901275 Energy: 1.2747931600047977 Energy: 1.1692916683878947 Energy: 1.2747931600047977 Energy: 1.1692916683901275 Energy: 1.2264376331028197 Energy: 1.2165290550211938 Energy: 1.2264376331039364 Energy: 1.2165290550172863 Energy: 1.2264376331022615 Energy: 1.2165290550178445 Energy: 1.2264376331017033 Energy: 1.1363830716525967 Energy: 1.2438438859389582 Energy: 1.1363830716542715 Energy: 1.2438438859372838 Energy: 1.136383071653713 Energy: 1.2438438859372838 Energy: 1.136383071653713 Energy: 1.1445292061451917 Energy: 1.2459286284652618 Energy: 1.1445292061468662 Energy: 1.2459286284669362 Energy: 1.1445292061446335 Energy: 1.2459286284697273 Energy: 1.144529206144075 Energy: 1.2280278772375344 Energy: 1.2260722222598675 Energy: 1.2280278772386508 Energy: 1.226072222258751 Energy: 1.2280278772386508 Energy: 1.226072222259309 Energy: 1.2280278772369764 Energy: 1.229153325738008 Energy: 1.2254138828718224 Energy: 1.2291533257419156 Energy: 1.2254138828723806 Energy: 1.2291533257385663 Energy: 1.2254138828746137 Energy: 1.2291533257391247 Energy: 1.2630114333895168 Energy: 1.260104605946926 Energy: 1.2630114333895168 Energy: 1.260104605946926 Energy: 1.2630114333889586 Energy: 1.260104605946926 Energy: 1.2630114333884004 Energy: 1.2629757352558413 Energy: 1.267054867338931 Energy: 1.2629757352558413 Energy: 1.267054867338931 Energy: 1.2629757352563995 Energy: 1.2670548673394892 Energy: 1.2629757352558413 Energy: 1.1860260409221954 Energy: 1.2252710990625464 Energy: 1.1860260409205206 Energy: 1.2252710990625464 Energy: 1.1860260409221954 Energy: 1.2252710990614302 Energy: 1.1860260409233117 Energy: 1.1714287173204634 Energy: 1.2613043939982769 Energy: 1.1714287173182305 Energy: 1.2613043939999518 Energy: 1.171428717319347 Energy: 1.2613043939999518 Energy: 1.1714287173204634 Energy: 1.1743640526268253 Energy: 1.1776761308769252 Energy: 1.174364052626267 Energy: 1.1776761308724595 Energy: 1.174364052626267 Energy: 1.1776761308752504 Energy: 1.1743640526273835 Energy: 1.2408650651930497 Energy: 1.2007919466618098 Energy: 1.2408650651952826 Energy: 1.2007919466612518 Energy: 1.2408650651969573 Energy: 1.2007919466612518 Energy: 1.2408650651969573 Energy: 1.3495358873784782 Energy: 1.2734983908374373 Energy: 1.3495358873751289 Energy: 1.2734983908379953 Energy: 1.3495358873790364 Energy: 1.273498390839112 Energy: 1.3495358873790364 Energy: 1.159609032672736 Energy: 1.2439447498237644 Energy: 1.1596090326744104 Energy: 1.2439447498253884 Energy: 1.1596090326744104 Energy: 1.243944749827621 Energy: 1.159609032672736 minimum gb energy = 1.1363830716520387 eV minimum distance = 2.30749385560388 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.2609450373444249 Energy: 1.2231351620410682 Energy: 1.2047895948369725 Energy: 1.2801379278300034 Energy: 1.2609450373444249 Energy: 1.2231351620417128 Energy: 1.2047895948363279 Energy: 1.2138501626743292 Energy: 1.1882593754205955 Energy: 1.220829118374813 Energy: 1.1847074038868097 Energy: 1.2138501626743292 Energy: 1.1882593754218844 Energy: 1.2208291183735236 Energy: 1.1372712861170668 Energy: 1.160665583755068 Energy: 1.1373188216074865 Energy: 1.2534191082827741 Energy: 1.1372712861164227 Energy: 1.1606655837557125 Energy: 1.1373188216074865 Energy: 1.2957866410520327 Energy: 1.2370306627026717 Energy: 1.295746434684985 Energy: 1.2370306627026717 Energy: 1.295786641051388 Energy: 1.2370306627026717 Energy: 1.2957464346843404 Energy: 1.2719885918704814 Energy: 1.216928328602631 Energy: 1.2718948974538709 Energy: 1.216928328602631 Energy: 1.2719885918698368 Energy: 1.216928328602631 Energy: 1.2718948974545154 Energy: 1.1479712996934204 Energy: 1.2204652679597838 Energy: 1.1479712996940648 Energy: 1.2204652679597838 Energy: 1.1479712996940648 Energy: 1.2204652679604284 Energy: 1.1479712996940648 Energy: 1.1432535789040348 Energy: 1.2683502614655677 Energy: 1.1432535789046792 Energy: 1.2683502614655677 Energy: 1.1432535789046792 Energy: 1.2683502614655677 Energy: 1.1432535789040348 Energy: 1.233468889207198 Energy: 1.2190607474742823 Energy: 1.233468889207198 Energy: 1.2190607474742823 Energy: 1.233468889207198 Energy: 1.2190607474742823 Energy: 1.233468889207198 Energy: 1.2594672695575686 Energy: 1.19798793974076 Energy: 1.2594672695575686 Energy: 1.1979879397413753 Energy: 1.259467269556924 Energy: 1.1979879397413753 Energy: 1.259467269556924 Energy: 1.1377205968491257 Energy: 1.2366061513677629 Energy: 1.1371910322414187 Energy: 1.2366016463944578 Energy: 1.1377205968497701 Energy: 1.2366061513677629 Energy: 1.1371910322407743 Energy: 1.1744194009504623 Energy: 1.2749059761970942 Energy: 1.1744557610490531 Energy: 1.2748504618038208 Energy: 1.1744194009504623 Energy: 1.2749059761990278 Energy: 1.1744557610484085 Energy: 1.2334391536371405 Energy: 1.277350960498148 Energy: 1.2334391536371405 Energy: 1.2570393410961398 Energy: 1.2334391536377851 Energy: 1.277350960498148 Energy: 1.2334391536377851 Energy: 1.258220462067797 Energy: 1.2623329759753397 Energy: 1.2582204620671522 Energy: 1.2623329759759843 Energy: 1.258220462067797 Energy: 1.2623329759759843 Energy: 1.2582204620671522 Energy: 1.1524726412199124 Energy: 1.1860726760579778 Energy: 1.1524726412192676 Energy: 1.1860726760573332 Energy: 1.1524726412179784 Energy: 1.1860726760566889 Energy: 1.152472641218623 Energy: 1.2122513515199556 Energy: 1.3051494583736443 Energy: 1.212251351519311 Energy: 1.305149458372355 Energy: 1.212251351519311 Energy: 1.305149458372355 Energy: 1.2122513515199556 Energy: 1.2025081429631534 Energy: 1.2777130156947492 Energy: 1.2025081429631534 Energy: 1.2777130156941046 Energy: 1.202508142962509 Energy: 1.2777130156941046 Energy: 1.202508142962509 Energy: 1.1890680916083585 Energy: 1.2005065765859515 Energy: 1.1941230731525814 Energy: 1.2005065765859515 Energy: 1.1890680916077139 Energy: 1.2005065765859515 Energy: 1.1941230731525814 Energy: 1.1516215931244318 Energy: 1.1217841430043622 Energy: 1.1517751706996873 Energy: 1.1217604589622874 Energy: 1.1516215931250764 Energy: 1.1217841430037176 Energy: 1.1517751706996873 Energy: 1.2619993776339598 Energy: 1.2894741544850699 Energy: 1.253329840501697 Energy: 1.2894741544850699 Energy: 1.263217236716204 Energy: 1.2894741544850699 Energy: 1.263217236716204 Energy: 1.2713986649734688 Energy: 1.2759767563269728 Energy: 1.23834403340811 Energy: 1.251663906301745 Energy: 1.2713986649734688 Energy: 1.2759767563269728 Energy: 1.2383440334074653 Energy: 1.1488440622114942 Energy: 1.1395505497817686 Energy: 1.1488440622121388 Energy: 1.139550549781124 Energy: 1.1488440622121388 Energy: 1.139550549781124 Energy: 1.1488440622121388 Energy: 1.1477140241919077 Energy: 1.155175036887646 Energy: 1.1477140241919077 Energy: 1.2783533593084138 Energy: 1.1477140241912631 Energy: 1.1551750368863567 Energy: 1.1477140241912631 Energy: 1.298076067810294 Energy: 1.2130767577117911 Energy: 1.2332279936575639 Energy: 1.2653204189032004 Energy: 1.298076067810294 Energy: 1.2130767577124357 Energy: 1.2648682267852898 Energy: 1.2347225486091302 Energy: 1.2493392641360168 Energy: 1.2443599805021208 Energy: 1.224464274850527 Energy: 1.2347225486097748 Energy: 1.2493392638789498 Energy: 1.2443599805027652 Energy: 1.1461074668837583 Energy: 1.1445223794123993 Energy: 1.1207343665281124 Energy: 1.1726505307205652 Energy: 1.1461074668831137 Energy: 1.144522379411755 Energy: 1.1207343665268232 Energy: 1.273622025856162 Energy: 1.1404499168503337 Energy: 1.2846664858977004 Energy: 1.2802584182686663 Energy: 1.2736220258568065 Energy: 1.1404499168503337 Energy: 1.2846664858970558 Energy: 1.262819889807727 Energy: 1.203470899020979 Energy: 1.210274633324962 Energy: 1.20347089901969 Energy: 1.23718746941412 Energy: 1.2034708990203344 Energy: 1.2371078980355183 Energy: 1.2863580570414581 Energy: 1.1983015985363779 Energy: 1.2863580570421027 Energy: 1.1983015985363779 Energy: 1.2863580570421027 Energy: 1.1983015985357333 Energy: 1.2863580570414581 Energy: 1.1829079739636275 Energy: 1.1727189248265342 Energy: 1.182907973964272 Energy: 1.1727189248271788 Energy: 1.182907973964272 Energy: 1.1727189248265342 Energy: 1.182907973964272 Energy: 1.2320678348027247 Energy: 1.2168959657244414 Energy: 1.2320678348027247 Energy: 1.2184790509807253 Energy: 1.2320678348020802 Energy: 1.2168959657237968 Energy: 1.2320678348027247 Energy: 1.211170117306179 Energy: 1.213064164672204 Energy: 1.257403684793068 Energy: 1.213064164672204 Energy: 1.2147646474280804 Energy: 1.213064164672204 Energy: 1.2147646474280804 Energy: 1.1529280080092768 Energy: 1.229974623036566 Energy: 1.1528458805978508 Energy: 1.2298404502416564 Energy: 1.1529280080092768 Energy: 1.2299746230346322 Energy: 1.1528458805978508 Energy: 1.1368505759660184 Energy: 1.1458566047176126 Energy: 1.1368448215500844 Energy: 1.1460373785351363 Energy: 1.1368505759666632 Energy: 1.1458566047182572 Energy: 1.1368448215500844 Energy: 1.2346512529102531 Energy: 1.2568036372118234 Energy: 1.2346512529108977 Energy: 1.279108696236336 Energy: 1.2346512529102531 Energy: 1.2568036372118234 Energy: 1.2346512529108977 Energy: 1.276610068270615 Energy: 1.324616143837401 Energy: 1.2767641330249277 Energy: 1.325606875491409 Energy: 1.3260214951857507 Energy: 1.324616143836756 Energy: 1.2229642453544005 Energy: 1.1415048629455575 Energy: 1.1292373369602204 Energy: 1.1415048629449132 Energy: 1.129237336960865 Energy: 1.1415048629449132 Energy: 1.1292373369602204 Energy: 1.1415048629449132 minimum gb energy = 1.1207343665268232 eV minimum distance = 2.26089943234145 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.18310305705479 Energy: 1.260496730210639 Energy: 1.18310305705479 Energy: 1.2604967302113994 Energy: 1.183103057054029 Energy: 1.2604967302113994 Energy: 1.183103057054029 Energy: 1.2328022284041507 Energy: 1.1302724926656194 Energy: 1.2328022284033897 Energy: 1.1303588436183098 Energy: 1.232802228402629 Energy: 1.1302724926656194 Energy: 1.2328022284033897 Energy: 1.1750784255435787 Energy: 1.1768901184634137 Energy: 1.1751305912040586 Energy: 1.1789835816166707 Energy: 1.1750784255443392 Energy: 1.1768901184641745 Energy: 1.1751305912048196 Energy: 1.2965577878409447 Energy: 1.1615974319973814 Energy: 1.2965577878424661 Energy: 1.1615468570286185 Energy: 1.2965577878424661 Energy: 1.1615974319973814 Energy: 1.2965577878417054 Energy: 1.26577749529997 Energy: 1.1262479436718926 Energy: 1.2586480518854428 Energy: 1.1262975402029938 Energy: 1.2657774953014918 Energy: 1.1262479436726536 Energy: 1.2586480518854428 Energy: 1.2243163367439187 Energy: 1.1652389058754449 Energy: 1.2243163367439187 Energy: 1.1652389058762056 Energy: 1.2243163367446794 Energy: 1.1652389058739234 Energy: 1.2243163367446794 Energy: 1.321905911500954 Energy: 1.178732066374439 Energy: 1.3130759894994417 Energy: 1.178732066374439 Energy: 1.3541938369691309 Energy: 1.178732066374439 Energy: 1.3130759894994417 Energy: 1.2050858318032245 Energy: 1.1230212292619206 Energy: 1.2050858318039854 Energy: 1.1230212292619206 Energy: 1.2050858318032245 Energy: 1.1230212292619206 Energy: 1.2050858318024638 Energy: 1.2455738080553693 Energy: 1.1409245254568525 Energy: 1.2455738080546086 Energy: 1.1409245254568525 Energy: 1.2455738080546086 Energy: 1.140924525458374 Energy: 1.2455738080546086 Energy: 1.1902962217981816 Energy: 1.2794323993373307 Energy: 1.1292465337510866 Energy: 1.2794323993380914 Energy: 1.1902962217974207 Energy: 1.2794323993380914 Energy: 1.129246533752608 Energy: 1.3275095238220473 Energy: 1.131433440088311 Energy: 1.2749328425254662 Energy: 1.1326140027915654 Energy: 1.327509523822808 Energy: 1.131433440089072 Energy: 1.2749328425254662 Energy: 1.1761184044762463 Energy: 1.1527411412313553 Energy: 1.1847889148950868 Energy: 1.1525272232584631 Energy: 1.1761184044762463 Energy: 1.1527411412305946 Energy: 1.1847889148950868 Energy: 1.2209786031681087 Energy: 1.1793445105489053 Energy: 1.2349190555600003 Energy: 1.1795667985142093 Energy: 1.2209786031703909 Energy: 1.1793445105489053 Energy: 1.234919055557718 Energy: 1.129392149880366 Energy: 1.1508023272451429 Energy: 1.129392149880366 Energy: 1.1511344645328185 Energy: 1.129392149880366 Energy: 1.1508023272451429 Energy: 1.129392149880366 Energy: 1.2271112161365407 Energy: 1.1722726719550651 Energy: 1.2271112161357798 Energy: 1.1722726719543046 Energy: 1.214108405973857 Energy: 1.1722726719550651 Energy: 1.2371000249948676 Energy: 1.1296583092668333 Energy: 1.1510611964267454 Energy: 1.129658309267594 Energy: 1.1510611964275064 Energy: 1.1296583092660724 Energy: 1.1510611964267454 Energy: 1.1296583092660724 Energy: 1.2673425321522764 Energy: 1.1408441172165562 Energy: 1.2673425321522764 Energy: 1.1408441172157957 Energy: 1.2673425321522764 Energy: 1.140844117217317 Energy: 1.2673425321515157 Energy: 1.1911535127559254 Energy: 1.1531545136731998 Energy: 1.1911535127551645 Energy: 1.1531545136731998 Energy: 1.1911535127559254 Energy: 1.1531545136724393 Energy: 1.1911535127551645 Energy: 1.2167530778722946 Energy: 1.2362049888648166 Energy: 1.2167530778715339 Energy: 1.2291602752055082 Energy: 1.2167530778745768 Energy: 1.2362049888648166 Energy: 1.2167530778935949 Energy: 1.129286720220826 Energy: 1.2369113377810417 Energy: 1.129286720220826 Energy: 1.2369113377802807 Energy: 1.1292867202215868 Energy: 1.2369113377802807 Energy: 1.1292867202215868 Energy: 1.2395104440374223 Energy: 1.141019183914476 Energy: 1.2398456332868184 Energy: 1.1410423409893868 Energy: 1.2395104440374223 Energy: 1.1410191839159973 Energy: 1.2398456332868184 Energy: 1.1813806166573204 Energy: 1.1531955416820774 Energy: 1.1812740618815647 Energy: 1.1532183291684315 Energy: 1.1813806166596026 Energy: 1.1531955416813164 Energy: 1.181274061880804 Energy: 1.217198496849096 Energy: 1.1735806455029258 Energy: 1.2171984968483356 Energy: 1.1735594697305909 Energy: 1.2171984968475746 Energy: 1.1735806455021653 Energy: 1.2171984968483356 Energy: 1.2648893562502619 Energy: 1.1380594367899788 Energy: 1.2659159522071328 Energy: 1.1360900704923227 Energy: 1.2648893562495014 Energy: 1.1380594367907395 Energy: 1.2659159522078935 Energy: 1.2250089737863457 Energy: 1.1444273448491529 Energy: 1.2250089737855852 Energy: 1.1444273448506745 Energy: 1.2250089737848244 Energy: 1.144427344851435 Energy: 1.2250089737855852 Energy: 1.2176135985215029 Energy: 1.1796877037531295 Energy: 1.283927518448333 Energy: 1.1796877037531295 Energy: 1.2176135985230243 Energy: 1.1796877037531295 Energy: 1.2839275184490935 Energy: 1.2168147688842925 Energy: 1.17844832450291 Energy: 1.2168147688850535 Energy: 1.1784483245021495 Energy: 1.2168147688842925 Energy: 1.1784483245021495 Energy: 1.2168147688842925 Energy: 1.2456922248278333 Energy: 1.1507569358082739 Energy: 1.232905727409397 Energy: 1.1507569358082739 Energy: 1.2456922248278333 Energy: 1.1507569358090346 Energy: 1.232905727409397 Energy: 1.2437274667063463 Energy: 1.260496730210639 Energy: 1.1831030570555507 Energy: 1.2604967302113994 Energy: 1.243727466707107 Energy: 1.2604967302113994 Energy: 1.183103057054029 Energy: 1.2461318594715391 Energy: 1.14957044725638 Energy: 1.2328022284033897 Energy: 1.1433403723943474 Energy: 1.2461318594722999 Energy: 1.1495704472579011 Energy: 1.2328022284033897 minimum gb energy = 1.1230212292619206 eV minimum distance = 2.27573489507854 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.1572552991490068 Energy: 1.1925032267510516 Energy: 1.1572552991480833 Energy: 1.192503226750149 Energy: 1.1572552991480833 Energy: 1.1925032267510516 Energy: 1.1572552991471599 Energy: 1.1211780788421928 Energy: 1.0601918526471361 Energy: 1.1211780788412695 Energy: 1.0601918525686824 Energy: 1.1211780788412695 Energy: 1.0601918522945348 Energy: 1.1211780788412695 Energy: 1.0888894826600404 Energy: 1.108738750879397 Energy: 1.088889482660964 Energy: 1.1087387508803208 Energy: 1.088889482660964 Energy: 1.108738750879397 Energy: 1.088889482660964 Energy: 1.0501998136220891 Energy: 1.0569009325876795 Energy: 1.0501998136211654 Energy: 1.0567454965629668 Energy: 1.0501998136220891 Energy: 1.0568603375749173 Energy: 1.0501998136220891 Energy: 1.0205403396342565 Energy: 1.039462530850254 Energy: 1.0205403396342565 Energy: 1.0394625308493306 Energy: 1.0205403396333328 Energy: 1.0394625308493306 Energy: 1.0205403396342565 Energy: 1.0317693242602581 Energy: 1.1231877685983587 Energy: 1.0317693242593349 Energy: 1.1231877685983587 Energy: 1.0317693242602581 Energy: 1.1231877685983587 Energy: 1.0317693242602581 Energy: 0.9747074210691768 Energy: 1.259498178908831 Energy: 0.9747074210691768 Energy: 1.2594969958908449 Energy: 0.9747074210701002 Energy: 1.2595110694731466 Energy: 0.9747074210682531 Energy: 0.9942235607353579 Energy: 1.0518761518179602 Energy: 0.9942235607362815 Energy: 1.0518761869453606 Energy: 0.9942235607362815 Energy: 1.0518761511773382 Energy: 0.9942235607362815 Energy: 1.060170125109829 Energy: 1.041711255549848 Energy: 1.060170125109829 Energy: 1.0417112555507713 Energy: 1.060170125109829 Energy: 1.041711255549848 Energy: 1.060170125109829 Energy: 1.050221417693764 Energy: 1.4171004574231536 Energy: 1.050221417693764 Energy: 1.4171004574231536 Energy: 1.050221417693764 Energy: 1.4171004574240769 Energy: 1.0502214176928404 Energy: 0.9748073126497744 Energy: 1.1452858092575728 Energy: 0.9748073126506979 Energy: 1.1452858092575728 Energy: 0.9748073126497744 Energy: 1.1452858092575728 Energy: 0.9748073126497744 Energy: 0.99420325094291 Energy: 1.1479229895032221 Energy: 0.99420325094291 Energy: 1.1479229895022987 Energy: 0.99420325094291 Energy: 1.1479229895032221 Energy: 0.9942032509419865 Energy: 1.0509963133770313 Energy: 1.0408542871216324 Energy: 1.0509963133761078 Energy: 1.0408542871151678 Energy: 1.0509963133770313 Energy: 1.040854287098545 Energy: 1.0509963133761078 Energy: 1.111284706517126 Energy: 1.2568461138540552 Energy: 1.111284706517126 Energy: 1.2568461138540552 Energy: 1.111284706517126 Energy: 1.2568461138540552 Energy: 1.111284706517126 Energy: 1.1622020637544466 Energy: 1.0590629567906211 Energy: 1.1622020637544466 Energy: 1.059063169403075 Energy: 1.1622020637544466 Energy: 1.0590815148259058 Energy: 1.1622020637544466 Energy: 1.1195162117854534 Energy: 1.121743065374851 Energy: 1.1195162117836062 Energy: 1.1217367848998308 Energy: 1.1195162117845296 Energy: 1.121747572534413 Energy: 1.1195162117872792 Energy: 1.1211362592133063 Energy: 1.047140278066511 Energy: 1.1211362592123828 Energy: 1.0471396729463944 Energy: 1.1211362592133063 Energy: 1.0471282590700375 Energy: 1.1211362592123828 Energy: 1.1010135884215186 Energy: 1.2567989064295308 Energy: 1.101013588424289 Energy: 1.2567989064295308 Energy: 1.1010135884593604 Energy: 1.2567989064295308 Energy: 1.1010135884464316 Energy: 1.0640789908026154 Energy: 1.0593584269735228 Energy: 1.0640789908026154 Energy: 1.059358228316021 Energy: 1.064078990801692 Energy: 1.0593581880803509 Energy: 1.064078990801692 Energy: 0.9940493915801463 Energy: 1.0384032316109186 Energy: 0.9940493915792228 Energy: 1.0384032316099951 Energy: 0.9940493915801463 Energy: 1.0384032316109186 Energy: 0.9940493915801463 Energy: 1.0505312447259632 Energy: 1.1303346725256949 Energy: 1.0505312447259632 Energy: 1.130334673110908 Energy: 1.0505312447259632 Energy: 1.1303346728395312 Energy: 1.0505312447259632 Energy: 0.9747254100459078 Energy: 1.237418220399163 Energy: 0.9747254100459078 Energy: 1.2374182203982396 Energy: 0.9747254100449841 Energy: 1.237418220399163 Energy: 0.9747254100459078 Energy: 1.0510871102308221 Energy: 1.089207580157601 Energy: 1.1110217051881346 Energy: 1.089207580157601 Energy: 1.0091662289873242 Energy: 1.089207580157601 Energy: 1.0091442819998897 Energy: 1.1006803954344229 Energy: 1.0521269465063519 Energy: 1.1006803954344229 Energy: 1.0521269465063519 Energy: 1.1006803954344229 Energy: 1.0521269465063519 Energy: 1.1006803954344229 Energy: 1.0504516927667917 Energy: 1.0852827751262233 Energy: 1.0504516927667917 Energy: 1.085282775108698 Energy: 1.0504516927677152 Energy: 1.0852827751446927 Energy: 1.0504516927677152 minimum gb energy = 0.9747074210682531 eV minimum distance = 2.31598226964692 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0450848396127579 Energy: 1.0242276795148182 Energy: 1.0450848396112118 Energy: 1.0242276795240954 Energy: 1.0450848396137886 Energy: 1.0242276795374956 Energy: 1.0450848396122425 Energy: 1.0273311462325845 Energy: 1.0044015450609136 Energy: 1.0273311462310382 Energy: 1.0044015450609136 Energy: 1.0273311462377381 Energy: 1.0044015450603985 Energy: 1.0273311462408306 Energy: 1.0432015988060463 Energy: 1.040227638313555 Energy: 1.0432015988060463 Energy: 1.0402276383130393 Energy: 1.0432015988055308 Energy: 1.0402276383140703 Energy: 1.0432015988065617 Energy: 1.0375608008344415 Energy: 1.0231973058860058 Energy: 1.037560800834957 Energy: 1.023197305883944 Energy: 1.037560800834957 Energy: 1.023197305886521 Energy: 1.037560800834957 Energy: 1.0124006119745008 Energy: 1.0075207095469148 Energy: 1.012400611975016 Energy: 1.0075207095438223 Energy: 1.012400611975016 Energy: 1.0075207095505225 Energy: 1.0124006119729545 Energy: 1.0153265389085415 Energy: 1.0085214035340495 Energy: 1.015326538910603 Energy: 1.0085214035366266 Energy: 1.015326538905449 Energy: 1.0085214035371417 Energy: 1.0153265389059645 Energy: 1.0092503962724735 Energy: 0.9846534051229854 Energy: 1.0092503962745347 Energy: 0.9846534051209238 Energy: 1.009250396271958 Energy: 0.9846534051193776 Energy: 1.0092503962709272 Energy: 1.0158478911222029 Energy: 0.9970512255963059 Energy: 1.015847891123749 Energy: 0.9970512255963059 Energy: 1.01584789112478 Energy: 0.9970512255963059 Energy: 1.0158478911216875 Energy: 0.9712446193326835 Energy: 0.9780323535853198 Energy: 0.9712446193316527 Energy: 0.9780323535853198 Energy: 0.9712446193326835 Energy: 0.9780323535848046 Energy: 0.9712446193331989 Energy: 0.9823412285989733 Energy: 1.0059553407204558 Energy: 0.9823412286010348 Energy: 1.0059553407230326 Energy: 0.9823412285984581 Energy: 1.0059553407220017 Energy: 0.9823412286010348 Energy: 0.9696500502205062 Energy: 0.9651183502300024 Energy: 0.9696500502220524 Energy: 0.9651183502274254 Energy: 0.9696500502199908 Energy: 0.9651183502305177 Energy: 0.9696500502205062 Energy: 0.9867826426967591 Energy: 0.9464531515251329 Energy: 0.9867826426946975 Energy: 0.9464531515261637 Energy: 0.9867826426972744 Energy: 0.9464531515230712 Energy: 0.9867826426962437 Energy: 0.9403041834142112 Energy: 1.0431062507224285 Energy: 0.940304183415242 Energy: 1.0431062507229438 Energy: 0.940304183415242 Energy: 1.0431062507234592 Energy: 0.9403041834142112 Energy: 0.9536135590665973 Energy: 0.9466383059277789 Energy: 0.9536135590645356 Energy: 0.9466383059277789 Energy: 0.9536135590655666 Energy: 0.9466383059298404 Energy: 0.9536135590655666 Energy: 0.9695271602290455 Energy: 0.9595424834309227 Energy: 0.969527160229561 Energy: 0.959542483431438 Energy: 0.9695271602305917 Energy: 0.9595424834324687 Energy: 0.9695271602285302 Energy: 0.9407893091012862 Energy: 1.1239996347140326 Energy: 0.9407893091007709 Energy: 1.1239996347130021 Energy: 0.9407893091002555 Energy: 1.1239996347124865 Energy: 0.9407893090992248 Energy: 0.9032736345813702 Energy: 0.9663459930931044 Energy: 0.9032736345808547 Energy: 0.9663459930951659 Energy: 0.9032736345803395 Energy: 0.9663459930941352 Energy: 0.9032736345793086 Energy: 0.9440195663928731 Energy: 0.9525515633503686 Energy: 0.9440195663949346 Energy: 0.9525545092078957 Energy: 0.9440195663928731 Energy: 0.9525516540296897 Energy: 0.9440195663959656 Energy: 0.9932736543528462 Energy: 0.9250961311527354 Energy: 0.9932736543513 Energy: 0.9250958774648531 Energy: 0.9932736543518154 Energy: 0.925096314727102 Energy: 0.9932736543497539 Energy: 0.9423803917711474 Energy: 1.0561991723206847 Energy: 0.9423803917711474 Energy: 1.0561991723191384 Energy: 0.9423803917701166 Energy: 1.0561991723212003 Energy: 0.9423803917701166 Energy: 0.9395304975896354 Energy: 0.9190068148766954 Energy: 0.9395304975886046 Energy: 0.9190068148885494 Energy: 0.9395304975886046 Energy: 0.9190068148725722 Energy: 0.9395304975870583 Energy: 0.9637540129025082 Energy: 0.9059528864322995 Energy: 0.9637540129035388 Energy: 0.9059268661203801 Energy: 0.9637540129030234 Energy: 0.9059882527615385 Energy: 0.9637540129009619 Energy: 0.9521934278788827 Energy: 0.9447103600664873 Energy: 0.9521934278799133 Energy: 0.9447103600675182 Energy: 0.9521934278783671 Energy: 0.9447103600726722 Energy: 0.952193427879398 Energy: 0.9506909577491446 Energy: 1.1007472023804372 Energy: 0.9506909463166326 Energy: 1.10074720157319 Energy: 0.9506909664971577 Energy: 1.1007472025180005 Energy: 0.9506909599149229 Energy: 1.04448884716146 Energy: 0.9628511331712221 Energy: 1.044488847163006 Energy: 0.9628509985334022 Energy: 1.0444888471609912 Energy: 0.9628506971304561 Energy: 1.0444888471619753 Energy: 1.022871675212668 Energy: 0.9839414903015639 Energy: 1.0228758050244293 Energy: 0.9839414903036254 Energy: 1.0228828763317996 Energy: 0.9839414903051716 Energy: 1.0228727584165525 Energy: 1.022100777038326 Energy: 0.981445462097657 Energy: 1.0221007770388413 Energy: 0.9814454614160721 Energy: 1.0221007770393566 Energy: 0.9814454626828633 Energy: 1.0221007770352335 Energy: 1.0147629571842174 Energy: 1.0932562792511777 Energy: 1.014762957184733 Energy: 1.0932562792475695 Energy: 1.0147629571857637 Energy: 1.0932562792486007 Energy: 1.014762957186279 Energy: 1.1065653457282447 Energy: 1.0292267677791371 Energy: 1.1065653457282447 Energy: 1.0292267677781062 Energy: 1.1065653457282447 Energy: 1.0292267677786215 Energy: 1.1065653457277294 Energy: 1.0312876634954282 Energy: 1.0246299467250282 Energy: 1.0312876634954282 Energy: 1.0246299467276052 Energy: 1.0312876634974901 Energy: 1.024629946726059 Energy: 1.0312876634964592 Energy: 1.007617789623415 Energy: 1.120864717101912 Energy: 1.0076177896239304 Energy: 1.1208647171008812 Energy: 1.0076177896259921 Energy: 1.1208647171013966 Energy: 1.0076177896239304 Energy: 0.9951748447400608 Energy: 1.0910850229488402 Energy: 0.9951748447395454 Energy: 1.091085022949871 Energy: 0.9951748447369685 Energy: 1.0910850229493554 Energy: 0.9951748447374837 Energy: 1.084355600160832 Energy: 0.9990611668947647 Energy: 1.084355600160832 Energy: 0.9990611668927031 Energy: 1.084355600160832 Energy: 0.9990611668927031 Energy: 1.084355600160832 Energy: 1.006892788253874 Energy: 0.9782079304570664 Energy: 1.0068927882574819 Energy: 0.9782079304565511 Energy: 1.00689278825542 Energy: 0.9782079304575818 Energy: 1.0068927882549048 Energy: 1.0137287538893103 Energy: 1.0573345161077197 Energy: 1.013728753891887 Energy: 1.0573345161066887 Energy: 1.0137287538898254 Energy: 1.0573345161082348 Energy: 1.013728753888795 Energy: 0.9786169559428235 Energy: 1.035179284752378 Energy: 0.9786169559412773 Energy: 1.035179284751347 Energy: 0.9786169559417928 Energy: 1.0351792847544394 Energy: 0.9786169559417928 Energy: 1.1499093834783165 Energy: 0.9969219588464607 Energy: 1.1499093834788319 Energy: 0.9969219588443993 Energy: 1.1499093834783165 Energy: 0.9969219588459455 Energy: 1.1499093834783165 Energy: 0.9566980629925618 Energy: 0.9463691740201577 Energy: 0.9566980629910157 Energy: 0.9463691740222192 Energy: 0.9566980629915309 Energy: 0.9463691740211885 Energy: 0.9566980629910157 Energy: 1.0042579487699812 Energy: 0.9023703397773183 Energy: 1.0042579487694656 Energy: 0.90237033974691 Energy: 1.0042579487694656 Energy: 0.9023703403398471 Energy: 1.0042579487710117 Energy: 0.9607209877153986 Energy: 0.9575830393761828 Energy: 0.9607209877153986 Energy: 0.9575830393741211 Energy: 0.960720987714883 Energy: 0.9575830393751519 Energy: 0.9607209877153986 Energy: 0.9448611535060092 Energy: 0.9449691719840126 Energy: 0.94486115350704 Energy: 0.9449691719850434 Energy: 0.9448611535060092 Energy: 0.9449691719834972 Energy: 0.9448611535075555 Energy: 0.9898938790532626 Energy: 0.9316621525859169 Energy: 0.9898938790491397 Energy: 0.9316621525843707 Energy: 0.9898938790517167 Energy: 0.9316621525854015 Energy: 0.9898938790517167 Energy: 0.9424405813363799 Energy: 1.1237866674633228 Energy: 0.9424405813368951 Energy: 1.1237866674617767 Energy: 0.9424405813374106 Energy: 1.1237866674602304 Energy: 0.9424405813368951 Energy: 0.9051857902087042 Energy: 0.9518928875854626 Energy: 0.9051857902071581 Energy: 0.9518928875875242 Energy: 0.9051857902081888 Energy: 0.9518928875854626 Energy: 0.9051857902087042 Energy: 0.945086233690027 Energy: 0.9569946714495801 Energy: 0.945086233690027 Energy: 0.9569946714495801 Energy: 0.945086233690027 Energy: 0.9569946714485493 Energy: 0.945086233690027 minimum gb energy = 0.90237033974691 eV minimum distance = 2.28530849185393 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.012860400797908 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.012860400797908 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 2.0719944204541374 Energy: 1.2133350032992534 Energy: 2.0719944204541374 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032980916 Energy: 2.0128604008002324 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0719944204541374 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032980916 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.0128604008002324 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.0128604008013946 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.0128604008013946 Energy: 1.2133350032992534 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.0128604008002324 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604008002324 Energy: 1.2133350032980916 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.0128604008013946 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 2.0128604008013946 Energy: 1.2133350032992534 Energy: 2.0128604008013946 Energy: 1.2133350032992534 Energy: 2.0128604008002324 Energy: 1.2133350032992534 Energy: 2.012860400802556 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097594156 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604008013946 Energy: 1.2133350032992534 Energy: 2.012860400802556 Energy: 1.2133350032992534 Energy: 2.012860400802556 Energy: 1.2133350032992534 Energy: 2.012860400803718 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 0.3849153097582536 Energy: 0.32675029109812026 Energy: 2.0128604007990702 Energy: 1.2133350032992534 Energy: 2.012860400802556 Energy: 1.2133350032992534 Energy: 2.012860400803718 Energy: 1.2133350032992534 Energy: 2.0128604008013946 minimum gb energy = 0.32675029109812026 eV minimum distance = 2.29329547906802 Angstroms sigma value = 23