Model name: model_name=EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000628829002 cohesive_energy=4.4503500197622685 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8683782817391e-19, 2.7765240414229795e-19, 3.4593557010674395e-19, 4.0089984171274793e-19, 4.46683641205932e-19, 4.85598909469158e-19, 5.1910362723936595e-19, 5.48191144029636e-19, 5.73574428442098e-19, 5.957886074725079e-19, 6.15255053575608e-19, 6.32284589018394e-19, 6.47162401241718e-19, 6.601015797379019e-19, 6.71286374819856e-19, 6.808737997977119e-19, 6.889968353320919e-19, 6.957692359640099e-19, 7.012951431746759e-19, 7.056594723256919e-19, 7.08943934425392e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11028366226226e-19, 7.083543334240799e-19, 7.04281600420452e-19, 6.98568238543608e-19, 6.90924253822794e-19, 6.81003576105066e-19, 6.683944459954859e-19, 6.525921778543439e-19, 6.32989546737354e-19, 6.088383361564379e-19, 5.7921889672368e-19, 5.4299368302894e-19, 4.98730349161422e-19, 4.4462804858451e-19, 3.783828512985119e-19, 2.9701791311745597e-19, 1.9665436441042797e-19, 7.213656098687939e-20, -8.337871399233059e-20, -2.7846791204900397e-19, -5.26335852565242e-19, -8.460309737603339e-19, -1.2569940869112359e-18, -1.8008946019150197e-18] 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: 0.01810389349866892 Energy: 0.14654600178227353 Energy: 0.8150164632216307 Energy: 0.018421551870145103 Energy: 0.14654600178227353 Energy: 1.0108357370744536 Energy: 0.018421551870145103 Energy: 1.0108357370738288 Energy: 0.8150164632235786 Energy: 0.018421551870145103 Energy: 0.01810389349866892 Energy: 0.14654600178161203 Energy: 0.018421551870145103 Energy: 1.0108357370731673 Energy: 0.1465460017828983 Energy: 1.0108357370738288 minimum gb energy = 0.01810389349866892 eV minimum distance = 2.43500747552393 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.6322554663123654 Energy: 1.1700282362732801 Energy: 1.1712460957832824 Energy: 1.0890298162302279 Energy: 1.1072240444747306 Energy: 1.2018006703189572 Energy: 1.1078496305060863 Energy: 1.2018006703196864 Energy: 1.170147325144012 Energy: 1.17048764706783 Energy: 1.1065883650581738 Energy: 1.1704876470686323 Energy: 1.1108852330387042 Energy: 1.1070401215477328 Energy: 1.1077468910704682 Energy: 1.1070401215477328 Energy: 1.5231886679567812 Energy: 1.1084666105736227 Energy: 1.1101852031832848 Energy: 1.1084666105736227 Energy: 1.183962278573529 Energy: 1.2389460678586162 Energy: 1.1079558368400062 Energy: 1.238946067857814 Energy: 1.1702604169186093 Energy: 1.2003010305285788 Energy: 1.1687563356044868 Energy: 1.2003010305285788 Energy: 1.1724805216847012 Energy: 1.1706413774720585 Energy: 1.2235290868421085 Energy: 1.1706413774728606 Energy: 1.1976863974017184 Energy: 1.2652574457368468 Energy: 1.198059677932142 Energy: 1.265257445737649 Energy: 1.2206421714954778 Energy: 1.2481311381065199 Energy: 1.1992070081910577 Energy: 1.2481311381073223 Energy: 1.194358787512307 Energy: 1.2631152941234693 Energy: 1.1979266468281127 Energy: 1.2631152941242716 Energy: 1.171428026582828 Energy: 1.2644233154609288 Energy: 1.226845206203801 Energy: 1.264423315459324 Energy: 1.1842001720554112 Energy: 1.200454443738506 Energy: 1.1280832699347472 Energy: 1.200454443738506 Energy: 1.1847466324125646 Energy: 1.2081443389334943 Energy: 1.1771082484219941 Energy: 1.2081443389326918 Energy: 1.1280281944550732 Energy: 1.106841685683854 Energy: 1.107263121615363 Energy: 1.1068416856846564 Energy: 1.1540329803807101 Energy: 1.1075138029039353 Energy: 1.1068814944403793 Energy: 1.1075138029047376 Energy: 1.1697899757071155 Energy: 1.1694188746055676 Energy: 1.0829375197658662 Energy: 1.1694188746055676 Energy: 1.1075236559772552 Energy: 1.107837970967 Energy: 1.1288486442509595 Energy: 1.107837970967 Energy: 1.1073111462209209 Energy: 1.1713302077415524 Energy: 1.1717167608629653 Energy: 1.171330207743157 Energy: 1.1827100661971088 Energy: 1.1075574311793352 Energy: 1.1101883214755348 Energy: 1.1075574311777305 Energy: 1.1077344986082656 Energy: 1.1076337036587223 Energy: 1.1683398278969659 Energy: 1.1076337036579198 Energy: 1.108329413652713 Energy: 1.1075587837890635 Energy: 1.1845486490301802 Energy: 1.1075587837890635 Energy: 1.1683932548255294 Energy: 1.2036655268362557 Energy: 1.168340931545747 Energy: 1.2036655268370584 Energy: 1.2239230317934762 Energy: 1.2026692881800263 Energy: 1.1713704353737724 Energy: 1.202669288181631 Energy: 1.1993598096808358 Energy: 1.2666568790593147 Energy: 1.1968667739968477 Energy: 1.266656879057783 Energy: 1.2017095254896983 Energy: 1.260506541374294 Energy: 1.2231749602377113 Energy: 1.2605065413750964 Energy: 1.325393305865234 Energy: 1.2626942896106788 Energy: 1.1944574868022644 Energy: 1.2626942896106788 Energy: 1.224131088935336 Energy: 1.2636778115734337 Energy: 1.2092253177584413 Energy: 1.2636778115750384 Energy: 1.1280120669698694 Energy: 1.1999099558517166 Energy: 1.1851131778772506 Energy: 1.199909955852519 Energy: 1.17670267834904 Energy: 1.1996316523093824 Energy: 1.1861126342560402 Energy: 1.199631652307778 Energy: 1.1063632338916303 Energy: 1.106918056502872 Energy: 1.127516725644104 Energy: 1.106918056502872 Energy: 1.1068887952635011 Energy: 1.1074606072549833 Energy: 1.15432888118622 Energy: 1.1074606072549833 Energy: 1.0827493158768315 Energy: 1.169911011815344 Energy: 1.1703332473196004 Energy: 1.169911011816146 minimum gb energy = 1.0827493158768315 eV minimum distance = 2.24209003561852 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.846545935895989 Energy: 1.2284372219490707 Energy: 1.2293787913688952 Energy: 1.1351533944023793 Energy: 1.1596643110545721 Energy: 1.256672840061728 Energy: 1.1602285277901412 Energy: 1.2566728400562395 Energy: 1.2278298833083556 Energy: 1.229544052666939 Energy: 1.7037411247908156 Energy: 1.229544052664195 Energy: 1.164987457305368 Energy: 1.158954310503059 Energy: 1.1599668449308302 Energy: 1.1589543105012294 Energy: 1.1591200253592804 Energy: 1.160527230336465 Energy: 1.1600819823416086 Energy: 1.1605272303355503 Energy: 1.2517516216236138 Energy: 1.3001138047731755 Energy: 1.159100496241205 Energy: 1.300113804775005 Energy: 1.2374415319984255 Energy: 1.2705753818944454 Energy: 1.232486339047074 Energy: 1.2705753818981043 Energy: 1.2375890918946875 Energy: 1.2750418980508749 Energy: 1.2918277623751446 Energy: 1.2750418980527043 Energy: 1.2337754097246485 Energy: 1.331392343910607 Energy: 1.2542514019864262 Energy: 1.3313923439133513 Energy: 1.2946697777050258 Energy: 1.3387741143003966 Energy: 1.2374472584182459 Energy: 1.3387741143067997 Energy: 1.1886123537944246 Energy: 1.2704821185639328 Energy: 1.26168289923712 Energy: 1.2704821185630184 Energy: 1.2429649247590757 Energy: 1.272514418063266 Energy: 1.2532639313693608 Energy: 1.272514418062351 Energy: 1.1610375815961334 Energy: 1.1601985432761028 Energy: 1.1882531398002911 Energy: 1.1601985432761028 Energy: 1.1591056140836553 Energy: 1.1603199870073984 Energy: 1.1287971408267867 Energy: 1.160319987005569 Energy: 1.1280232872134384 Energy: 1.2274630024025404 Energy: 1.2288383368909814 Energy: 1.2274630024007112 Energy: 1.1895817605200527 Energy: 1.1652226940321033 Energy: 1.1598194072461463 Energy: 1.165222694029359 Energy: 1.2289775480161256 Energy: 1.2291647887372208 Energy: 1.158826295769972 Energy: 1.229164788739965 Energy: 1.164789844456858 Energy: 1.159425417624451 Energy: 1.2506662822423538 Energy: 1.1594254176262804 Energy: 1.158773261121609 Energy: 1.165916630073882 Energy: 1.1619947095608605 Energy: 1.1659166300711377 Energy: 1.251833639739832 Energy: 1.1602801211196416 Energy: 1.161571051147247 Energy: 1.160280121109621 Energy: 1.233590730128356 Energy: 1.275801088615111 Energy: 1.2325985617944188 Energy: 1.2758010886196847 Energy: 1.235156868436894 Energy: 1.2747732679732924 Energy: 1.2928563139449125 Energy: 1.274773267974207 Energy: 1.2336638420995083 Energy: 1.3323998545428857 Energy: 1.2546212606537959 Energy: 1.3323998545419709 Energy: 1.291917319688812 Energy: 1.3327223441622 Energy: 1.2359580959213223 Energy: 1.3327223441622 Energy: 1.1880554264146932 Energy: 1.2703042803008446 Energy: 1.262759002550569 Energy: 1.27030428029993 Energy: 1.2426223376875 Energy: 1.2707061239899333 Energy: 1.253389185607237 Energy: 1.2707061239926776 Energy: 1.1598908180046041 Energy: 1.1601727762215732 Energy: 1.1880813486193498 Energy: 1.1601727762142555 Energy: 1.1590023432361551 Energy: 1.159906322234594 Energy: 1.1295248510823797 Energy: 1.159906322234594 Energy: 1.128009259899548 Energy: 1.2283124100191576 Energy: 1.2291151324460152 Energy: 1.228312410021902 minimum gb energy = 1.128009259899548 eV minimum distance = 2.24157565304503 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 1.7683273322097905 Energy: 1.2917106642988865 Energy: 1.2915855260806481 Energy: 1.1849624981759461 Energy: 1.2199338539927438 Energy: 1.3149591636180666 Energy: 1.2198193380337006 Energy: 1.3149591636180666 Energy: 1.2908494287193544 Energy: 1.2916639445749276 Energy: 1.2182000440299792 Energy: 1.2916639445749276 Energy: 1.227757343531105 Energy: 1.2206543555422147 Energy: 1.2194214600935358 Energy: 1.2206543555422147 Energy: 1.217596055278549 Energy: 1.2199006892977753 Energy: 1.2211974668289978 Energy: 1.2199006892977753 Energy: 1.2266980470295392 Energy: 1.2196937881559426 Energy: 1.2200771324096666 Energy: 1.2196937881559426 Energy: 1.2994847167585495 Energy: 1.359079518926229 Energy: 1.2976956414567518 Energy: 1.359079518926229 Energy: 1.2983403188968423 Energy: 1.3625799167797426 Energy: 1.1995990317361975 Energy: 1.3625799167797426 Energy: 1.2994172396973123 Energy: 1.3576687582826654 Energy: 1.2619135325619637 Energy: 1.3576687582826654 Energy: 1.3358292762934885 Energy: 1.3583875473004419 Energy: 1.2196144704213954 Energy: 1.3583875473004419 Energy: 1.1757278628073147 Energy: 1.22006324264375 Energy: 1.2189797620514211 Energy: 1.2200632426448133 Energy: 1.176424123148616 Energy: 1.2195491705723538 Energy: 1.2197688676789888 Energy: 1.2195491705734172 Energy: 1.2914769773313177 Energy: 1.2915429327557075 Energy: 1.1751596693757955 Energy: 1.2915429327557075 Energy: 1.2195705695852677 Energy: 1.2273256642988877 Energy: 1.2615904821732942 Energy: 1.2273256642988877 Energy: 1.218141748844921 Energy: 1.292010794994304 Energy: 1.2938454950721894 Energy: 1.2920107949932407 Energy: 1.2251078664352164 Energy: 1.219909508782317 Energy: 1.2283481190289758 Energy: 1.2199095087844436 Energy: 1.2195515067230784 Energy: 1.2277882719981472 Energy: 1.2179635496390104 Energy: 1.2277882719981472 Energy: 1.2197847211106436 Energy: 1.2195797330604512 Energy: 1.2267579151420673 Energy: 1.2195797330604512 Energy: 1.296993539493423 Energy: 1.362309174103109 Energy: 1.3020611987178758 Energy: 1.362309174103109 Energy: 1.2004060595465633 Energy: 1.3622344834593039 Energy: 1.2991880674011032 Energy: 1.3622344834593039 Energy: 1.2604739441162365 Energy: 1.3565014340080712 Energy: 1.3645557468448268 Energy: 1.3565014340080712 Energy: 1.2623920470316163 Energy: 1.357662652832366 Energy: 1.335851121181969 Energy: 1.3576626528334295 Energy: 1.2206624684914964 Energy: 1.2200252774246434 Energy: 1.1756628186212952 Energy: 1.22002527742358 Energy: 1.219275720237883 Energy: 1.2198961007257034 Energy: 1.1762873771101323 Energy: 1.2198961007257034 Energy: 1.1748833678677206 Energy: 1.292107585009793 Energy: 1.2927914516155754 Energy: 1.2921075850076662 minimum gb energy = 1.1748833678677206 eV minimum distance = 2.24393190918617 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.7811344213903957 Energy: 1.3823106818385558 Energy: 1.382611067182895 Energy: 1.3075067595060466 Energy: 1.3167770846681228 Energy: 1.3985883568062505 Energy: 1.3605270572845638 Energy: 1.3985883568075188 Energy: 1.3861687295152727 Energy: 1.3858580209438038 Energy: 1.4304968815438974 Energy: 1.3858580209425355 Energy: 1.3181455334159382 Energy: 1.3999200637825318 Energy: 1.322194178431712 Energy: 1.3999200637812632 Energy: 1.26273159179207 Energy: 1.317946551941241 Energy: 1.319933678233664 Energy: 1.3179465519424807 Energy: 1.321727156095246 Energy: 1.322889418389849 Energy: 1.3224300684021615 Energy: 1.3228894183911177 Energy: 1.3319118278315265 Energy: 1.4674848339748954 Energy: 1.3221612255500585 Energy: 1.4674848339748954 Energy: 1.3666644754728308 Energy: 1.4646524944415378 Energy: 1.3389636755619816 Energy: 1.4646524944428065 Energy: 1.3885290606092178 Energy: 1.389521203934216 Energy: 1.2972113560235916 Energy: 1.389521203934216 Energy: 1.3955071509121308 Energy: 1.3568810069359152 Energy: 1.2692441453188732 Energy: 1.3568810069371837 Energy: 1.2198328382873422 Energy: 1.2455247007681565 Energy: 1.2443796461322731 Energy: 1.2455247007681565 Energy: 1.3577509640118808 Energy: 1.2210786363092152 Energy: 1.2456830721646874 Energy: 1.221078636310484 Energy: 1.4565624423684032 Energy: 1.4538149092924686 Energy: 1.4303095807847024 Energy: 1.4538149092937371 Energy: 1.4543580667666722 Energy: 1.3547388016437742 Energy: 1.3347929891010948 Energy: 1.3547388016450426 Energy: 1.2626417404650994 Energy: 1.329042694125508 Energy: 1.3183343226119772 Energy: 1.329042694125508 Energy: 1.3847543313017832 Energy: 1.3292073791169952 Energy: 1.3183543218468954 Energy: 1.3292073791169952 Energy: 1.3310272949086916 Energy: 1.4772922968530338 Energy: 1.3181380772980553 Energy: 1.4772922968530338 Energy: 1.330957575603619 Energy: 1.478295907197315 Energy: 1.3185666525473736 Energy: 1.4782959071960462 Energy: 1.316126373111211 Energy: 1.3171191330542686 Energy: 1.2970007636554703 Energy: 1.3171191330542686 Energy: 1.316737657359579 Energy: 1.3175977584151242 Energy: 1.2973761711532446 Energy: 1.317597758416393 Energy: 1.2991739861373899 Energy: 1.3830715957660362 Energy: 1.3836415137830291 Energy: 1.3830715957673048 minimum gb energy = 1.2198328382873422 eV minimum distance = 2.21980558483112 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.4856354566851206 Energy: 1.4344359915918972 Energy: 1.4343550482945209 Energy: 1.282636279564038 Energy: 1.4374146016047233 Energy: 1.3801549394097439 Energy: 1.3072953636959432 Energy: 1.3801549394113126 Energy: 1.433504213084788 Energy: 1.43317532284767 Energy: 1.451118310782969 Energy: 1.43317532284767 Energy: 1.4325433330973947 Energy: 1.3802511400043975 Energy: 1.3076913754319375 Energy: 1.3802511400043975 Energy: 1.3748401521246778 Energy: 1.4566393038805332 Energy: 1.3077760292235787 Energy: 1.4566393038805332 Energy: 1.273215062889538 Energy: 1.381571152717154 Energy: 1.3059121230705848 Energy: 1.381571152717154 Energy: 1.266131425179807 Energy: 1.3852609617659128 Energy: 1.3773571040238002 Energy: 1.3852609617659128 Energy: 1.2661175912097558 Energy: 1.3816620823935788 Energy: 1.3084959362893438 Energy: 1.3816620823920098 Energy: 1.4308534717787589 Energy: 1.4326277449011096 Energy: 1.5829978642885567 Energy: 1.432627744899541 Energy: 1.4346854945241327 Energy: 1.2747428786715906 Energy: 1.4280000450274342 Energy: 1.2747428786715906 Energy: 1.435897820951089 Energy: 1.4322771920500788 Energy: 1.4400515742438709 Energy: 1.4322771920500788 Energy: 1.430635951739692 Energy: 1.3825144529628506 Energy: 1.4315745762927847 Energy: 1.3825144529628506 Energy: 1.307112713301873 Energy: 1.4611166371473832 Energy: 1.3748012601231205 Energy: 1.4611166371473832 Energy: 1.308021483673436 Energy: 1.3850320469220287 Energy: 1.2744587828154021 Energy: 1.3850320469235975 Energy: 1.377969647267612 Energy: 1.3833939968944655 Energy: 1.2664081788314834 Energy: 1.3833939968944655 Energy: 1.3072393081572402 Energy: 1.4569892884095899 Energy: 1.2660984729660583 Energy: 1.4569892884095899 Energy: 1.5834733629612943 Energy: 1.4353986467345523 Energy: 1.432765337501488 Energy: 1.4353986467345523 minimum gb energy = 1.2660984729660583 eV minimum distance = 2.25060011018499 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 2.003611406186578 Energy: 1.5687038089005227 Energy: 1.5686910085600991 Energy: 1.4736121064082295 Energy: 1.382941587334648 Energy: 1.3852263308427686 Energy: 1.5658146311237127 Energy: 1.3852263308427686 Energy: 1.384087406661126 Energy: 1.383988226387272 Energy: 1.5641510398265361 Energy: 1.3839882263881604 Energy: 1.3837529511692546 Energy: 1.3845061320949148 Energy: 1.3967798417764485 Energy: 1.3845061320958032 Energy: 1.381567635860112 Energy: 1.5001556654850807 Energy: 1.304434770828058 Energy: 1.5001556654850807 Energy: 1.3833110016052426 Energy: 1.391474310783134 Energy: 1.3822477983577646 Energy: 1.3914743107822456 Energy: 1.4567981821799418 Energy: 1.3813593594828841 Energy: 1.385064209388293 Energy: 1.3813593594819955 Energy: 1.6663011789360396 Energy: 1.3974734913753053 Energy: 1.3831966162274576 Energy: 1.3974734913753053 Energy: 1.576113203270722 Energy: 1.565994260983766 Energy: 1.582921507208101 Energy: 1.5659942609828774 Energy: 1.5671245064695847 Energy: 1.4904699916436526 Energy: 1.5081603713500946 Energy: 1.4904699916436526 Energy: 1.3810882374108933 Energy: 1.333687449255016 Energy: 1.3310648918386445 Energy: 1.333687449260347 Energy: 1.58606745270516 Energy: 1.3689417600314873 Energy: 1.3643778561788193 Energy: 1.3689417600314873 Energy: 1.456553825417625 Energy: 1.3672040035670336 Energy: 1.3657184515159329 Energy: 1.3672040035679225 Energy: 1.4577469154960387 Energy: 1.367814423065258 Energy: 1.3325456341602373 Energy: 1.367814423063481 Energy: 1.5675437195698916 Energy: 1.5661876870304166 Energy: 1.6780423268238114 Energy: 1.5661876870295282 Energy: 1.5722816226619816 Energy: 1.564316131995432 Energy: 1.677546604927263 Energy: 1.564316131995432 Energy: 1.5638340919391913 Energy: 1.381999081446711 Energy: 1.382430475344591 Energy: 1.381999081446711 Energy: 1.56377262289209 Energy: 1.382307391710707 Energy: 1.3791632501764453 Energy: 1.3823073917098188 Energy: 1.3845494192455685 Energy: 1.500852620933249 Energy: 1.382734484061399 Energy: 1.5008526209323605 Energy: 1.4240274416756504 Energy: 1.5010252303502067 Energy: 1.3824724763424092 Energy: 1.5010252303502067 Energy: 1.3824083771260167 Energy: 1.3980557311162176 Energy: 1.6036498431591735 Energy: 1.3980557311171058 Energy: 1.3835848425624793 Energy: 1.3844703177530495 Energy: 1.6642638409821544 Energy: 1.3844703177512725 Energy: 1.4874273054551679 Energy: 1.4903395967795816 Energy: 1.5840911726790992 Energy: 1.4903395967786932 Energy: 1.582774948587268 Energy: 1.566251563681113 Energy: 1.5643188369749332 Energy: 1.566251563679336 Energy: 1.3322562133952252 Energy: 1.3673658449048194 Energy: 1.5656500455323286 Energy: 1.3673658449039308 Energy: 1.3649098385600864 Energy: 1.3686443113201405 Energy: 1.3804132404684346 Energy: 1.3686443113192521 Energy: 1.3306895717205953 Energy: 1.3386299564713393 Energy: 1.4574269928867547 Energy: 1.3386299564704505 Energy: 1.3359067338066193 Energy: 1.3688587746686938 Energy: 1.457691862695406 Energy: 1.3688587746686938 Energy: 1.366866168135881 Energy: 1.3659843409490016 Energy: 1.4564454262933952 Energy: 1.3659843409481132 Energy: 1.7091455660869623 Energy: 1.5654089930484383 Energy: 1.565717064713149 Energy: 1.5654089930484383 minimum gb energy = 1.304434770828058 eV minimum distance = 2.22037186068823 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.8285500201079823 Energy: 1.4736675319857258 Energy: 1.476329895945889 Energy: 1.2701244031305245 Energy: 1.458953296722935 Energy: 1.3441708662248837 Energy: 1.4604524437268818 Energy: 1.3441708662248837 Energy: 1.4621648610073235 Energy: 1.4628545854718795 Energy: 1.48224957207011 Energy: 1.4628545854739248 Energy: 1.4620685476948458 Energy: 1.3459124835104879 Energy: 1.4576241803514733 Energy: 1.3459124835104879 Energy: 1.4771376771476938 Energy: 1.344940109208381 Energy: 1.2448131829750342 Energy: 1.3449401092063356 Energy: 1.458802373268757 Energy: 1.3481407829307737 Energy: 1.2470529655492741 Energy: 1.3481407829287282 Energy: 1.6598820429447858 Energy: 1.4600744115834154 Energy: 1.4597320542612446 Energy: 1.46007441158137 Energy: 1.660239932341384 Energy: 1.4584217887337616 Energy: 1.4570109903134547 Energy: 1.4584217887296707 Energy: 1.4648399003428205 Energy: 1.4611064267651368 Energy: 1.4826655068472667 Energy: 1.4611064267651368 Energy: 1.4578346919769065 Energy: 1.3468413688470817 Energy: 1.463197352481376 Energy: 1.3468413688491272 Energy: 1.4765498922471803 Energy: 1.349543914060118 Energy: 1.2747403470252225 Energy: 1.349543914060118 Energy: 1.4629923786994943 Energy: 1.3441904080175764 Energy: 1.2467391456065697 Energy: 1.3441904080216673 Energy: 1.6604412377247926 Energy: 1.458684970838035 Energy: 1.4558242129483876 Energy: 1.4586849708359892 minimum gb energy = 1.2448131829750342 eV minimum distance = 2.24931454841381 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.7895805100020667 Energy: 1.6405692707350439 Energy: 1.6434057734149488 Energy: 1.519823167934968 Energy: 1.3606384467638164 Energy: 1.3586989886158696 Energy: 1.6328011669164904 Energy: 1.3586989886151126 Energy: 1.361032893370627 Energy: 1.3626311269761762 Energy: 1.666347879349229 Energy: 1.3626311269746616 Energy: 1.3638323663054195 Energy: 1.3609776681874377 Energy: 1.7187259343062287 Energy: 1.3609776681881944 Energy: 1.3614508778822187 Energy: 1.35838355690651 Energy: 1.7197525705256647 Energy: 1.35838355690651 Energy: 1.3587271965109389 Energy: 1.3586855910831113 Energy: 1.729395742242364 Energy: 1.3586855910831113 Energy: 1.637563103914899 Energy: 1.6130637611981054 Energy: 1.6321648975098904 Energy: 1.6130637611996197 Energy: 1.6448916654300576 Energy: 1.6130168446022202 Energy: 1.6129487120804455 Energy: 1.6130168446014632 Energy: 1.4340458854123337 Energy: 1.5346227522757656 Energy: 1.4535380795163437 Energy: 1.5346227522750089 Energy: 1.3541779886231247 Energy: 1.4591937080685593 Energy: 1.612269406180939 Energy: 1.4591937080708306 Energy: 1.4320113843433542 Energy: 1.4332889312654717 Energy: 1.5040423396974878 Energy: 1.433288931266229 Energy: 1.4433086168881972 Energy: 1.5228222064968426 Energy: 1.7192889947439578 Energy: 1.522822206499114 Energy: 1.6350905941920575 Energy: 1.4330086453823991 Energy: 1.4478168404989593 Energy: 1.4330086453816424 Energy: 1.6374922332725577 Energy: 1.4330124879899608 Energy: 1.4367990097474685 Energy: 1.433012487990718 Energy: 1.6133474389424276 Energy: 1.4568068328742856 Energy: 1.443475249786935 Energy: 1.4568068328757995 Energy: 1.5505655838830479 Energy: 1.5256057784861252 Energy: 1.4418104652957597 Energy: 1.5256057784823396 Energy: 1.6181866821458837 Energy: 1.508379703307374 Energy: 1.435590391611315 Energy: 1.5083797033081312 Energy: 1.6146952543455264 Energy: 1.6165386702169766 Energy: 1.7870477536477414 Energy: 1.616538670218491 Energy: 1.6330024350832524 Energy: 1.359267389632621 Energy: 1.3562711884969623 Energy: 1.359267389632621 Energy: 1.6714824972078437 Energy: 1.364809149807429 Energy: 1.38539571189089 Energy: 1.364809149808186 Energy: 1.638203852896228 Energy: 1.3606265069893428 Energy: 1.3598596572114543 Energy: 1.3606265069916141 Energy: 1.7278555253020014 Energy: 1.3577524203767115 Energy: 1.358708717246565 Energy: 1.3577524203751974 Energy: 1.7201864757566285 Energy: 1.3594247964035866 Energy: 1.3582823184559862 Energy: 1.3594247964035866 Energy: 1.6342628136254616 Energy: 1.6128401256699039 Energy: 1.6368467962054005 Energy: 1.6128401256691465 Energy: 1.6133533261195196 Energy: 1.612706566951715 Energy: 1.6455169752158443 Energy: 1.612706566951715 Energy: 1.453964055400205 Energy: 1.5280790749906301 Energy: 1.4335711916458957 Energy: 1.528079074991387 Energy: 1.614626431776366 Energy: 1.4589631806820578 Energy: 1.353417271532216 Energy: 1.4589631806805436 Energy: 1.5034730413968564 Energy: 1.4335560568630386 Energy: 1.4332952529959524 Energy: 1.4335560568630386 Energy: 1.720480196148812 Energy: 1.4375060112864646 Energy: 1.443241145637187 Energy: 1.4375060112864646 Energy: 1.4461874336684504 Energy: 1.4332611875068828 Energy: 1.6308052344863444 Energy: 1.4332611875083967 Energy: 1.4355334953447663 Energy: 1.4338905765633128 Energy: 1.61028073350696 Energy: 1.43389057656407 Energy: 1.4370821297869676 Energy: 1.4360729936070145 Energy: 1.6134849130055342 Energy: 1.4360729936070145 Energy: 1.4429350888250847 Energy: 1.5345431687691482 Energy: 1.547320099914201 Energy: 1.534543168770662 Energy: 1.434552162599772 Energy: 1.5271843992254175 Energy: 1.5109728009751535 Energy: 1.5271843992261747 Energy: 1.720330342588053 Energy: 1.6141755497773371 Energy: 1.6145448915341445 Energy: 1.614175549775823 minimum gb energy = 1.353417271532216 eV minimum distance = 2.22676916902882 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.9172440096949586 Energy: 1.5935055220967989 Energy: 1.593201956256022 Energy: 1.4401961072799456 Energy: 1.3926237353051871 Energy: 1.3897651250031808 Energy: 1.5435438517159814 Energy: 1.3897651250031808 Energy: 1.3937822218087312 Energy: 1.392183999436374 Energy: 1.619479089613708 Energy: 1.3921839994375753 Energy: 1.3910863712712418 Energy: 1.3903610982786923 Energy: 1.7014212467052605 Energy: 1.3903610982798935 Energy: 1.3939679970157992 Energy: 1.3932411818982375 Energy: 1.6213943160576114 Energy: 1.3932411818994386 Energy: 1.48312611972552 Energy: 1.3922043831780746 Energy: 1.6195342837499147 Energy: 1.3922043831792754 Energy: 1.5226324756341205 Energy: 1.5899396800762733 Energy: 1.6163998468786887 Energy: 1.5899396800762733 Energy: 1.4598977610809307 Energy: 1.5875848256533203 Energy: 1.5889095784402685 Energy: 1.5875848256521192 Energy: 1.4487234506192626 Energy: 1.55418463875415 Energy: 1.590847583813573 Energy: 1.5541846387553513 Energy: 1.4484931915814299 Energy: 1.4170731920168895 Energy: 1.5852470436268389 Energy: 1.4170731920204929 Energy: 1.4515432344260977 Energy: 1.3673177829921028 Energy: 1.3615985580684526 Energy: 1.3673177829921028 Energy: 1.4401762481138032 Energy: 1.3674974868285121 Energy: 1.6677508461765067 Energy: 1.3674974868273109 Energy: 1.5945254986803497 Energy: 1.4772852836164816 Energy: 1.4300754153481923 Energy: 1.4772852836152803 Energy: 1.594416102360829 Energy: 1.451928870728429 Energy: 1.4441102914552313 Energy: 1.4519288707272278 Energy: 1.6164745770751048 Energy: 1.4331197142605807 Energy: 1.4365265513272862 Energy: 1.4331197142605807 Energy: 1.6788214714808174 Energy: 1.4310124767110726 Energy: 1.432191819858029 Energy: 1.4310124767110726 Energy: 1.618163959682772 Energy: 1.4310411396153866 Energy: 1.446443478395389 Energy: 1.4310411396153866 Energy: 1.5501419329516501 Energy: 1.5483570482552775 Energy: 1.5231408023797588 Energy: 1.5483570482552775 Energy: 1.5505719648706846 Energy: 1.4988368883733216 Energy: 1.4602573956244511 Energy: 1.4988368883733216 Energy: 1.5547152309059329 Energy: 1.4974939236319524 Energy: 1.5502633961299324 Energy: 1.4974939236319524 Energy: 1.549576055925501 Energy: 1.4954794018163877 Energy: 1.4504766934929814 Energy: 1.4954794018175888 Energy: 1.6175802730221063 Energy: 1.5428857123645796 Energy: 1.5456931661035258 Energy: 1.5428857123645796 minimum gb energy = 1.3615985580684526 eV minimum distance = 2.21221665229924 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 2.2349869562775777 Energy: 1.591089567318793 Energy: 1.5926349763170335 Energy: 1.4005175715313425 Energy: 1.4055427706978934 Energy: 1.4918949487249833 Energy: 1.5335630151685065 Energy: 1.4918949487241342 Energy: 1.406954085579481 Energy: 1.3983484101587997 Energy: 1.5194685917971469 Energy: 1.3983484101672932 Energy: 1.39148029244283 Energy: 1.3940341260534517 Energy: 1.6773334507366118 Energy: 1.3940341260534517 Energy: 1.4043530161905684 Energy: 1.4021564500703236 Energy: 1.6312649221981368 Energy: 1.4021564500728716 Energy: 1.3926417829043218 Energy: 1.4023647047638748 Energy: 1.63037265938999 Energy: 1.4023647047664232 Energy: 1.628252392793736 Energy: 1.4035845907847655 Energy: 1.3903156443900533 Energy: 1.4035845907839162 Energy: 1.5250772459689448 Energy: 1.401892072684926 Energy: 1.401943685943362 Energy: 1.401892072690871 Energy: 1.5314397709452094 Energy: 1.390167091251287 Energy: 1.389633593429784 Energy: 1.3901670912504378 Energy: 1.644508764142558 Energy: 1.4004118728299924 Energy: 1.4019252899405898 Energy: 1.4004118728265949 Energy: 1.533120599530398 Energy: 1.534778006842315 Energy: 1.3868574598331294 Energy: 1.5347780068431642 Energy: 1.5462305266658023 Energy: 1.5321121010882 Energy: 1.6299192311527395 Energy: 1.5321121010848027 Energy: 1.5311644529376025 Energy: 1.4893883950005877 Energy: 1.5437584560236233 Energy: 1.4893883950039848 Energy: 1.5190946522500155 Energy: 1.479460066127834 Energy: 1.4067640225791245 Energy: 1.479460066127834 Energy: 1.5421796190153725 Energy: 1.4867353581153981 Energy: 1.4211302813202495 Energy: 1.4867353581111515 Energy: 1.6212511053055947 Energy: 1.5279850249461429 Energy: 1.5440613364141407 Energy: 1.5279850249461429 Energy: 1.3961596528314137 Energy: 1.5339856440256427 Energy: 1.5342452054134297 Energy: 1.5339856440298896 Energy: 1.4019060790972342 Energy: 1.3996865586514717 Energy: 1.5199105222800189 Energy: 1.3996865586523208 Energy: 1.3871285088307423 Energy: 1.390245139658843 Energy: 1.532788835115439 Energy: 1.390245139658843 Energy: 1.4010689185075993 Energy: 1.401731747037147 Energy: 1.5154887317858412 Energy: 1.4017317470396953 Energy: 1.390895873695804 Energy: 1.404626914211781 Energy: 1.635282312921259 Energy: 1.4046269142126306 Energy: 1.5248157175984995 Energy: 1.4019997683363505 Energy: 1.3913663105538152 Energy: 1.401999768332953 Energy: 1.6247911651568627 Energy: 1.4024503203909622 Energy: 1.404760806743651 Energy: 1.4024503203952088 Energy: 1.6759623743485907 Energy: 1.393826884058343 Energy: 1.3906693708228028 Energy: 1.393826884055795 Energy: 1.6418650565934394 Energy: 1.3978076365088208 Energy: 1.4060252957255623 Energy: 1.3978076365037244 Energy: 1.6410746565297785 Energy: 1.3935786071326837 Energy: 1.4056330570511093 Energy: 1.3935786071352319 Energy: 1.546753151953387 Energy: 1.5485311411058977 Energy: 1.9376176064866417 Energy: 1.5485311411067468 Energy: 1.5339980731810183 Energy: 1.4927101480574387 Energy: 1.5434313726919475 Energy: 1.4927101480599865 Energy: 1.5230990556315784 Energy: 1.4821511489139327 Energy: 1.5314788512684103 Energy: 1.4821511489156316 Energy: 1.5389489518127069 Energy: 1.4817312677607275 Energy: 1.4059109851279261 Energy: 1.4817312677615766 Energy: 1.5099305923512234 Energy: 1.5400258096485335 Energy: 1.5340282894563175 Energy: 1.5400258096510817 minimum gb energy = 1.3868574598331294 eV minimum distance = 2.2190549626688 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.3104455667653867 Energy: 1.5774885752638341 Energy: 1.3499892228044028 Energy: 1.311041738159565 Energy: 1.3433046670844422 Energy: 1.4530951817491244 Energy: 1.3619768434568515 Energy: 1.45309518174942 Energy: 1.3420631922433726 Energy: 1.4204680221526145 Energy: 1.3133563366885614 Energy: 1.4204680221526145 Energy: 1.3160467947902643 Energy: 1.3395628281945549 Energy: 1.3409826679000574 Energy: 1.339562828194292 Energy: 1.3400485192508693 Energy: 1.3426597847851078 Energy: 1.3174787723936465 Energy: 1.3426597847848118 Energy: 1.3381620313431373 Energy: 1.4303195206030799 Energy: 1.3157873269387386 Energy: 1.4303195206039343 Energy: 1.3118970961473098 Energy: 1.4204233340413892 Energy: 1.3427045029378741 Energy: 1.4204233340387922 Energy: 1.3601520078906724 Energy: 1.3510413290294088 Energy: 1.3166252354353247 Energy: 1.351041329029672 Energy: 1.3158012602242026 Energy: 1.3429812484243584 Energy: 1.3627526662237903 Energy: 1.3429812484235037 minimum gb energy = 1.3104455667653867 eV minimum distance = 2.23191548130183 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.7874325373644726 Energy: 1.3035051700935056 Energy: 1.514144853698585 Energy: 1.2715774091658707 Energy: 1.4825217206449295 Energy: 1.3062613222394195 Energy: 1.5292437938998884 Energy: 1.3062613222402215 Energy: 1.5288058921867869 Energy: 1.4139302447923066 Energy: 1.531177821050477 Energy: 1.413930244790702 Energy: 1.332249903969706 Energy: 1.3007247350315156 Energy: 1.4852736868461482 Energy: 1.3007247350299111 Energy: 1.4823292774176122 Energy: 1.301730487836774 Energy: 1.527656183624737 Energy: 1.3017304878359717 Energy: 1.3021313925312885 Energy: 1.3062452810979122 Energy: 1.528699535347445 Energy: 1.3062452810987144 Energy: 1.301871897782194 Energy: 1.301098149705721 Energy: 1.485628795392958 Energy: 1.3010981497049188 Energy: 1.3154686321014244 Energy: 1.3064905478737545 Energy: 1.7050792613448431 Energy: 1.3064905478745568 Energy: 1.3696696161453288 Energy: 1.3580338820768403 Energy: 1.7075494664744388 Energy: 1.358033882079247 Energy: 1.5563001619619912 Energy: 1.2751766641774773 Energy: 1.2866065003853289 Energy: 1.2751766641782796 Energy: 1.3332049640376948 Energy: 1.2728120161206133 Energy: 1.2732854845036714 Energy: 1.2728120161214156 Energy: 1.7168093388391061 Energy: 1.2716040934966897 Energy: 1.2720384025174456 Energy: 1.2716040934958874 Energy: 1.724156606240929 Energy: 1.2720093040565128 Energy: 1.3048694666249923 Energy: 1.2720093040565128 Energy: 1.3333951767503034 Energy: 1.3470786708680347 Energy: 1.5275971118562985 Energy: 1.3470786708680347 Energy: 1.305681647184895 Energy: 1.3018215971803913 Energy: 1.5259000061234296 Energy: 1.3018215971827982 Energy: 1.3085290559698066 Energy: 1.3047851574026625 Energy: 1.482666632023942 Energy: 1.3047851574018603 Energy: 1.3035253555056279 Energy: 1.301635657023848 Energy: 1.3284050392470925 Energy: 1.301635657023848 Energy: 1.555692042304196 Energy: 1.3058210031359834 Energy: 1.3305047463150803 Energy: 1.3058210031359834 Energy: 1.5334368566962666 Energy: 1.416538840890727 Energy: 1.5317945526295427 Energy: 1.4165388408899247 Energy: 1.5555357016432976 Energy: 1.3006772583379018 Energy: 1.3283542495745664 Energy: 1.3006772583387038 Energy: 1.528344316849733 Energy: 1.31688538508439 Energy: 1.4855766652336915 Energy: 1.3168853850851923 Energy: 1.5280206645047718 Energy: 1.3012666324148523 Energy: 1.3024505692460762 Energy: 1.30126663241405 Energy: 1.4838133581410073 Energy: 1.3015871534201167 Energy: 1.3035641431444338 Energy: 1.3015871534201167 Energy: 1.705464489601078 Energy: 1.305174240618485 Energy: 1.3104457695875076 Energy: 1.305174240618485 Energy: 1.715509048085807 Energy: 1.3478187671121646 Energy: 1.3345013272481738 Energy: 1.3478187671121646 Energy: 1.2931050968329383 Energy: 1.2762165493411792 Energy: 1.5566553512805101 Energy: 1.2762165493419815 Energy: 1.275292835536535 Energy: 1.27426503784067 Energy: 1.3699872114390628 Energy: 1.2742650378414722 Energy: 1.2709511634541135 Energy: 1.2766906879086755 Energy: 1.377736908813413 Energy: 1.2766906879086755 Energy: 1.2881797961417178 Energy: 1.2729667231897812 Energy: 1.701124056853515 Energy: 1.2729667231897812 Energy: 1.527554973077735 Energy: 1.346079580595097 Energy: 1.3345902526614775 Energy: 1.3460795805942944 Energy: 1.527261268072659 Energy: 1.3032409962720966 Energy: 1.304417842076123 Energy: 1.3032409962712943 Energy: 1.4836378227034457 Energy: 1.3034163016240028 Energy: 1.3036435504599762 Energy: 1.3034163016256073 Energy: 1.3302109808289737 Energy: 1.300937809287825 Energy: 1.3023344198280111 Energy: 1.3009378092886275 minimum gb energy = 1.2709511634541135 eV minimum distance = 2.2001552419067 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.907511941231905 Energy: 1.244430938352209 Energy: 1.4755601777987748 Energy: 1.2073099491082493 Energy: 1.2554071703493348 Energy: 1.246602745107396 Energy: 1.5148918010987997 Energy: 1.246602745107396 Energy: 1.5157999188662605 Energy: 1.384624368804858 Energy: 1.5167944943802851 Energy: 1.3846243688037487 Energy: 1.2743567583972386 Energy: 1.3857126648169131 Energy: 1.496341425063443 Energy: 1.3857126648191318 Energy: 1.2438281044719688 Energy: 1.2419615348843325 Energy: 1.508483301843952 Energy: 1.241961534886551 Energy: 1.2427840983302754 Energy: 1.2557571784316526 Energy: 1.509215542013337 Energy: 1.2557571784316526 Energy: 1.2395265083922398 Energy: 1.240788148106935 Energy: 1.539826789005859 Energy: 1.2407881481091536 Energy: 1.245146729630509 Energy: 1.2485275636637714 Energy: 1.7119291184627712 Energy: 1.2485275636604434 Energy: 1.521816248423129 Energy: 1.3225695909626147 Energy: 1.7110293153456984 Energy: 1.3225695909603963 Energy: 1.5096287999366886 Energy: 1.251905282601893 Energy: 1.2467069631892174 Energy: 1.2519052825996744 Energy: 1.5376856872454685 Energy: 1.2409862182912712 Energy: 1.2403428761284014 Energy: 1.2409862182923805 Energy: 1.7063804807787046 Energy: 1.2578445004529537 Energy: 1.2428296826468908 Energy: 1.2578445004540628 Energy: 1.711624110360664 Energy: 1.242421179127627 Energy: 1.2423890283475283 Energy: 1.2424211791254085 Energy: 1.4957622826721264 Energy: 1.3840177584141056 Energy: 1.5162941324647388 Energy: 1.384017758411887 Energy: 1.2764041043262473 Energy: 1.383722290675751 Energy: 1.514760793735789 Energy: 1.383722290675751 Energy: 1.2709663443901642 Energy: 1.2449157888320423 Energy: 1.5410449456002697 Energy: 1.244915788833152 Energy: 1.2432084184880172 Energy: 1.2504272482978749 Energy: 1.5386394067435016 Energy: 1.2504272482978749 Energy: 1.255319042844926 Energy: 1.2527642463405722 Energy: 1.5282372055941271 Energy: 1.2527642463439 Energy: 1.239863027700604 Energy: 1.2424479555843904 Energy: 1.7108433857750982 Energy: 1.2424479555866086 Energy: 1.2577956438254254 Energy: 1.2542408505323484 Energy: 1.7109865917980318 Energy: 1.2542408505323484 Energy: 1.5092799794025902 Energy: 1.310210777076165 Energy: 1.539369800579347 Energy: 1.310210777076165 Energy: 1.511161810945073 Energy: 1.2445655232688826 Energy: 1.2474387087091758 Energy: 1.2445655232711013 Energy: 1.4990706023410814 Energy: 1.2414212054364646 Energy: 1.242901736133934 Energy: 1.2414212054364646 Energy: 1.7091986928620981 Energy: 1.2423807356248933 Energy: 1.2414456261388613 Energy: 1.2423807356260022 minimum gb energy = 1.2073099491082493 eV minimum distance = 2.21190066869174 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 2.0376160754493293 Energy: 1.2326327742763012 Energy: 1.4781949719814005 Energy: 1.2044089660840298 Energy: 1.2393925604085365 Energy: 1.2307255094359 Energy: 1.416904545522221 Energy: 1.2307255094365854 Energy: 1.5992632945881557 Energy: 1.2261595240755385 Energy: 1.4277706024730996 Energy: 1.2261595240741672 Energy: 1.6035593599540028 Energy: 1.3011580181311757 Energy: 1.3873547367627337 Energy: 1.3011580181298046 Energy: 1.3679303543056178 Energy: 1.2053770753164161 Energy: 1.4124221396019876 Energy: 1.2053770753164161 Energy: 1.206795934063062 Energy: 1.2048106642232017 Energy: 1.5807782696755974 Energy: 1.2048106642238874 Energy: 1.2061476769405992 Energy: 1.2040929753171812 Energy: 1.2899316263390526 Energy: 1.2040929753178666 Energy: 1.2180628001066185 Energy: 1.2081368144326976 Energy: 1.5839182042902344 Energy: 1.2081368144333833 Energy: 1.5684372006903506 Energy: 1.210671395106092 Energy: 1.5674343867296225 Energy: 1.210671395106092 Energy: 1.4342157102694675 Energy: 1.3028328358762684 Energy: 1.4011506357855643 Energy: 1.3028328358762684 Energy: 1.562600145580362 Energy: 1.2263809013304765 Energy: 1.2442237889359518 Energy: 1.2263809013304765 Energy: 1.5556338790286226 Energy: 1.2354625904709402 Energy: 1.3893095999060263 Energy: 1.2354625904716257 Energy: 1.5612742861508868 Energy: 1.2268842824586093 Energy: 1.2281984230727294 Energy: 1.2268842824579234 Energy: 1.2283150342856175 Energy: 1.22605907063678 Energy: 1.229164706333768 Energy: 1.2260590706360943 Energy: 1.5963793771248345 Energy: 1.2297965688191201 Energy: 1.2391848084384944 Energy: 1.2297965688191201 Energy: 1.5864257299156284 Energy: 1.2281108693277623 Energy: 1.2317423285942362 Energy: 1.2281108693277623 Energy: 1.2736052759109526 Energy: 1.3840894960416714 Energy: 1.5980459853167832 Energy: 1.384089496030701 Energy: 1.226680180329974 Energy: 1.2277601605676283 Energy: 1.5698310531306936 Energy: 1.2277601605703707 Energy: 1.2682282231038768 Energy: 1.2307944549352543 Energy: 1.5462965431327367 Energy: 1.2307944549345688 Energy: 1.2284961310557465 Energy: 1.2295100829339887 Energy: 1.5845422685920254 Energy: 1.22951008293536 Energy: 1.4309142368127399 Energy: 1.2289989199769034 Energy: 1.2420110070331514 Energy: 1.2289989199762177 Energy: 1.428268198755602 Energy: 1.2307930768527244 Energy: 1.5949071267307688 Energy: 1.2307930768527244 Energy: 1.3871334326464935 Energy: 1.297427677820054 Energy: 1.5982133036683206 Energy: 1.297427677820054 Energy: 1.6079003030692582 Energy: 1.2073084926917428 Energy: 1.3666445174984874 Energy: 1.207308492689 Energy: 1.556262007850908 Energy: 1.2065843482728833 Energy: 1.204720081200787 Energy: 1.2065843482756258 Energy: 1.2683339183025204 Energy: 1.2057086753268864 Energy: 1.2113049684046844 Energy: 1.2057086753289434 Energy: 1.5846455765917011 Energy: 1.2084804657885908 Energy: 1.2128872307962184 Energy: 1.2084804657913335 Energy: 1.3910063774202637 Energy: 1.2087914428119577 Energy: 1.573706446173621 Energy: 1.208791442809215 Energy: 1.399603385412235 Energy: 1.3034478917810488 Energy: 1.4269791797844684 Energy: 1.3034478917796777 Energy: 1.2460136408053324 Energy: 1.225971035922413 Energy: 1.5620716106294623 Energy: 1.2259710359204186 Energy: 1.38726916002495 Energy: 1.2262395803495607 Energy: 1.5750134456189362 Energy: 1.226239580348875 Energy: 1.227391430500677 Energy: 1.2266743944323284 Energy: 1.5594220913062031 Energy: 1.226674394433014 Energy: 1.2265890687432177 Energy: 1.2252762267536068 Energy: 1.4221835099168374 Energy: 1.2252762267529211 Energy: 1.2388416088410878 Energy: 1.2318913534495604 Energy: 1.6015427470129324 Energy: 1.2318913534488745 Energy: 1.425616823385433 Energy: 1.271592479294761 Energy: 1.5853405957304014 Energy: 1.2715924792954467 Energy: 1.6305863113229946 Energy: 1.2328990148175853 Energy: 1.230761046064007 Energy: 1.2328990148203278 Energy: 1.5643665041671162 Energy: 1.226124022820781 Energy: 1.2280894385042973 Energy: 1.2261240228200954 Energy: 1.5675121867539237 Energy: 1.2346048771532245 Energy: 1.2276343793784898 Energy: 1.2346048771518532 minimum gb energy = 1.2040929753171812 eV minimum distance = 2.19946244933425 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 2.169870368256761 Energy: 1.1258500309004627 Energy: 1.1248749829909397 Energy: 1.1686348851029618 Energy: 1.1276139496948994 Energy: 1.241627526112374 Energy: 1.1267353435465244 Energy: 1.241627526112374 Energy: 1.1135129786972109 Energy: 1.2429696563463941 Energy: 1.1540178155071594 Energy: 1.2429696563463941 Energy: 1.1160397266178184 Energy: 1.243868373819848 Energy: 1.124024676389235 Energy: 1.243868373819848 Energy: 1.1226138608523797 Energy: 1.12378129552439 Energy: 1.1449293290744984 Energy: 1.12378129552439 Energy: 1.1226693533015908 Energy: 1.1221848190657744 Energy: 1.143908925448055 Energy: 1.1221848190657744 Energy: 1.1225443152419794 Energy: 1.1204481416220529 Energy: 1.125221820156285 Energy: 1.1204481416220529 Energy: 1.1254102692962635 Energy: 1.1278885440804618 Energy: 1.1130420560569598 Energy: 1.1278885440804618 Energy: 1.1271101268834134 Energy: 1.1273533039603312 Energy: 1.125213868615945 Energy: 1.1273533039603312 Energy: 1.1522346209332142 Energy: 1.2456446850167096 Energy: 1.152343107622952 Energy: 1.2456446850167096 Energy: 1.1251923449692498 Energy: 1.2431697600160008 Energy: 1.1117660823576523 Energy: 1.2431697600160008 Energy: 1.1433349516426543 Energy: 1.1310065776485754 Energy: 1.125709716778124 Energy: 1.1310065776485754 Energy: 1.1458490641972785 Energy: 1.1257726476515968 Energy: 1.1225221873388775 Energy: 1.1257726476515968 Energy: 1.1249549241829873 Energy: 1.119825947291123 Energy: 1.1196738556107435 Energy: 1.119825947291123 Energy: 1.1127251222115775 Energy: 1.1243365882267227 Energy: 1.1267722897739754 Energy: 1.1243365882267227 minimum gb energy = 1.1117660823576523 eV minimum distance = 2.23197765428125 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.9183486471307212 Energy: 1.0680291544979787 Energy: 1.3624853920776325 Energy: 1.0584966451020785 Energy: 1.2427912676325803 Energy: 1.064760151601027 Energy: 1.2863048766654965 Energy: 1.064760151601027 Energy: 1.0696317909440682 Energy: 1.0629076368761237 Energy: 1.272589262378031 Energy: 1.06290763687462 Energy: 1.4696591741937235 Energy: 1.0671583485593104 Energy: 1.2492814884763495 Energy: 1.0671583485615659 Energy: 1.4604375683281594 Energy: 1.0653917180396117 Energy: 1.287325036850131 Energy: 1.0653917180396117 Energy: 1.2717328106810362 Energy: 1.0650490875105387 Energy: 1.286975680678331 Energy: 1.0650490875180583 Energy: 1.2736597552255051 Energy: 1.0636796573830505 Energy: 1.4551911785460512 Energy: 1.0636796573815464 Energy: 1.249861248745503 Energy: 1.0655435475332067 Energy: 1.2798843017951904 Energy: 1.0655435475279431 Energy: 1.0839468219296575 Energy: 1.0671133955457093 Energy: 1.2792531908574656 Energy: 1.067113395549469 Energy: 1.0626170681324691 Energy: 1.0631993699731734 Energy: 1.2514994425132322 Energy: 1.0631993699739255 Energy: 1.0954565161375425 Energy: 1.0717204253196266 Energy: 1.9181458613759326 Energy: 1.0717204253196266 Energy: 1.265242972619106 Energy: 1.06252580854621 Energy: 1.2522984020312733 Energy: 1.0625258085116214 Energy: 1.287899592698361 Energy: 1.1304322882942213 Energy: 1.2684848907072772 Energy: 1.1304322882919655 Energy: 1.4569901467286148 Energy: 1.1343233038617864 Energy: 1.4689413732292647 Energy: 1.134323303855019 Energy: 1.2807154191809467 Energy: 1.0657896876713737 Energy: 1.4559052961994225 Energy: 1.0657896876676143 Energy: 1.2796633861383888 Energy: 1.0648441230376362 Energy: 1.0677399793999318 Energy: 1.0648441230376362 Energy: 1.4581930845132605 Energy: 1.0630551185762789 Energy: 1.0680440024400795 Energy: 1.0630551185815424 Energy: 1.1159568171862861 Energy: 1.0654768559963828 Energy: 1.0723918186979802 Energy: 1.0654768560023982 Energy: 1.4114902486289085 Energy: 1.0660215574489014 Energy: 1.2434236518656214 Energy: 1.0660215574496532 Energy: 1.2513092840754079 Energy: 1.061755251767604 Energy: 1.2717491623645245 Energy: 1.0617552517691078 Energy: 1.47789581858862 Energy: 1.0708766551268085 Energy: 1.2440898127384115 Energy: 1.0708766551215447 Energy: 1.251017127616093 Energy: 1.068602191960109 Energy: 1.2872215696559242 Energy: 1.0686021919631168 Energy: 1.2539057011485204 Energy: 1.0652106720941068 Energy: 1.2874775823978994 Energy: 1.0652106720895953 Energy: 1.070194675514807 Energy: 1.0617852761936601 Energy: 1.4580839119673552 Energy: 1.0617852761906525 Energy: 1.2463504587665284 Energy: 1.0644715710381016 Energy: 1.2803693809821044 Energy: 1.064471571039537 Energy: 1.0651942455749364 Energy: 1.0841799959664566 Energy: 1.2776752545626227 Energy: 1.0841799959687124 Energy: 1.0626362403199903 Energy: 1.0613693042097643 Energy: 1.4621566551742105 Energy: 1.0613693042097643 Energy: 1.084557679518193 Energy: 1.0684992381638907 Energy: 1.1092108862066141 Energy: 1.0684992381736658 Energy: 1.2417601432927485 Energy: 1.0641853231584046 Energy: 1.4128989813841617 Energy: 1.0641853231546452 Energy: 1.2710967218099303 Energy: 1.1350626964868067 Energy: 1.2424442122579236 Energy: 1.1350626964868067 Energy: 1.2449060128570868 Energy: 1.1418575439179757 Energy: 1.4791762214684998 Energy: 1.1418575439194796 Energy: 1.2783288834221398 Energy: 1.0645629575750946 Energy: 1.2428924449051748 Energy: 1.0645629575720865 Energy: 1.2805827018748228 Energy: 1.065901551079175 Energy: 1.0873835676779682 Energy: 1.0659015510829346 Energy: 1.460585950012595 Energy: 1.0615305571406377 Energy: 1.0631889424618477 Energy: 1.0615305571436453 Energy: 1.4114010696620405 Energy: 1.0647874031571911 Energy: 1.069919299789606 Energy: 1.0647874031617028 minimum gb energy = 1.0584966451020785 eV minimum distance = 2.2287800704471 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.6787958373715348 Energy: 0.9707911931491132 Energy: 0.9757244400134472 Energy: 1.0343794802473163 Energy: 1.6048012219896697 Energy: 0.9724293461151574 Energy: 1.2857815762744602 Energy: 0.9724293461138637 Energy: 1.5904432369148096 Energy: 0.9705020358770309 Energy: 1.2916218938207393 Energy: 0.9705020358770309 Energy: 1.589943725678544 Energy: 1.0996011553131027 Energy: 1.2828936844890595 Energy: 1.0996011553118092 Energy: 1.6049460022100315 Energy: 1.0988476494162198 Energy: 1.2873256028939315 Energy: 1.0988476494162198 Energy: 1.1702381487194269 Energy: 0.9717962137026752 Energy: 1.4963101997022488 Energy: 0.9717962137039688 Energy: 0.965710235587716 Energy: 0.9702201465335497 Energy: 1.6042362434521904 Energy: 0.9702201465335497 Energy: 0.9866728188990801 Energy: 0.9711317194027024 Energy: 1.5955654979599285 Energy: 0.9711317194027024 Energy: 0.9706330670894858 Energy: 0.9760422523754472 Energy: 1.5958462618878917 Energy: 0.9760422523754472 Energy: 0.9706181741219427 Energy: 0.9722863406093072 Energy: 1.4712386266760233 Energy: 0.9722863406080134 Energy: 0.9757244231348522 Energy: 1.0343794802473163 Energy: 1.6787958373728284 Energy: 0.9707911931491132 Energy: 1.2857815762744602 Energy: 0.9724293461151574 Energy: 1.4704003408722206 Energy: 0.9724293461151574 Energy: 1.2916218938207393 Energy: 0.9705020358757371 Energy: 1.5904432369148096 Energy: 0.9705020358770309 Energy: 1.2828936844890595 Energy: 1.0996011553118092 Energy: 1.589943725678544 Energy: 1.0996011553131027 Energy: 1.2873256028926379 Energy: 1.0988476494162198 Energy: 1.6049460022100315 Energy: 1.0988476494162198 Energy: 1.4963101997022488 Energy: 0.9717962137026752 Energy: 1.1702381487194269 Energy: 0.9717962137026752 Energy: 1.604236243453484 Energy: 0.9702201465335497 Energy: 0.965710235587716 Energy: 0.9702201465335497 Energy: 1.595565497958635 Energy: 0.9711317194027024 Energy: 0.9866728189003737 Energy: 0.9711317194027024 Energy: 1.5958462618878917 Energy: 0.9760422523754472 Energy: 0.9706330670894858 Energy: 0.9760422523754472 Energy: 1.606915976009283 Energy: 0.9722863406080134 Energy: 0.9706181741219427 Energy: 0.9722863406080134 minimum gb energy = 0.965710235587716 eV minimum distance = 2.2351834039301 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 2.160323444669479 Energy: 0.8832352869635419 Energy: 0.8814049164022627 Energy: 0.9102606566494703 Energy: 1.816508738999225 Energy: 0.8804609951655475 Energy: 1.1457371250472852 Energy: 0.8804609951645375 Energy: 1.6992701464829578 Energy: 0.8792057102541944 Energy: 1.141926573452004 Energy: 0.879205710252174 Energy: 1.4883431917912793 Energy: 0.8849460930182163 Energy: 1.3508869671952297 Energy: 0.8849460930192264 Energy: 1.8143521141543528 Energy: 0.980973391815483 Energy: 1.5989738329294165 Energy: 0.980973391815483 Energy: 1.4879700155791535 Energy: 0.9789181726276307 Energy: 1.6027214507044463 Energy: 0.9789181726235898 Energy: 1.4937562487925329 Energy: 0.8724057710759107 Energy: 1.5963271981226046 Energy: 0.872405771077931 Energy: 1.1102720902039593 Energy: 0.8766035145061286 Energy: 1.6908624613020882 Energy: 0.8766035145020878 Energy: 1.1332960018367082 Energy: 0.8730342176207565 Energy: 1.5999401867757361 Energy: 0.8730342176227769 Energy: 1.1357027326093132 Energy: 0.8739300886468515 Energy: 1.7926873409200759 Energy: 0.8739300886488719 Energy: 0.9974192169613205 Energy: 0.8732443800595869 Energy: 1.8508947175030228 Energy: 0.8732443800585765 Energy: 0.997014847468173 Energy: 0.8745061960113943 Energy: 1.7927694942041896 Energy: 0.8745061960083639 Energy: 1.0016107403005536 Energy: 0.8662596372292766 Energy: 1.7931901911027286 Energy: 0.8662596372323071 Energy: 1.0242634831093174 Energy: 0.8634436042786896 Energy: 1.7883643507761373 Energy: 0.8634436042796997 Energy: 1.2583677618891145 Energy: 0.8639044385104827 Energy: 1.7925667049183163 Energy: 0.8639044385074522 Energy: 1.2558297047031237 Energy: 0.8650689849092499 Energy: 1.7002374630920174 Energy: 0.8650689849102601 Energy: 1.5765060805308322 Energy: 0.8659908268459853 Energy: 1.7008703502452533 Energy: 0.8659908268490157 Energy: 1.2671134953787093 Energy: 0.978714862878918 Energy: 1.3801620174041926 Energy: 0.9787148628768976 Energy: 1.598490343801667 Energy: 0.9747927581492797 Energy: 1.492369341353213 Energy: 0.9747927581513 Energy: 1.8153534474597703 Energy: 0.9728966677407127 Energy: 1.4903549779467906 Energy: 0.9728966677386922 Energy: 1.6910696655089625 Energy: 0.9695761951040679 Energy: 1.1404105023369815 Energy: 0.9695761951040679 Energy: 1.8149089808537882 Energy: 0.8782784046878357 Energy: 1.0015708220182886 Energy: 0.8782784046878357 Energy: 1.7081863791492942 Energy: 0.882905116472246 Energy: 1.1339719659540093 Energy: 0.8829051164692155 Energy: 1.6905253235733673 Energy: 0.8887538518111671 Energy: 0.885594545465065 Energy: 0.8887538518081366 Energy: 1.8146382545899444 Energy: 0.8794935786470395 Energy: 0.8819930660032081 Energy: 0.8794935786470395 Energy: 1.6971626363476136 Energy: 0.8911760585053994 Energy: 0.887800057119934 Energy: 0.8911760585094401 minimum gb energy = 0.8634436042786896 eV minimum distance = 2.22216900709043 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 2.204147881698196 Energy: 0.7922581759730997 Energy: 1.1649643443065705 Energy: 0.804345409377777 Energy: 1.9330265165438016 Energy: 0.7906761496832491 Energy: 1.0041896899158773 Energy: 0.7906761496824208 Energy: 1.9324473499154515 Energy: 0.7887871912837227 Energy: 1.0113138474054693 Energy: 0.7887871912845508 Energy: 1.5764976507753419 Energy: 0.7957422222765239 Energy: 1.2423153152063235 Energy: 0.795742222277352 Energy: 1.7625665634948846 Energy: 0.7862330797736155 Energy: 1.4082465617686077 Energy: 0.7862330797727873 Energy: 1.5798466648352865 Energy: 0.7886956408632967 Energy: 1.4019979539671212 Energy: 0.7886956408674375 Energy: 1.5861743823896473 Energy: 0.8738665603211144 Energy: 1.5915198299544322 Energy: 0.8738665603211144 Energy: 1.402668561498562 Energy: 0.876961855607279 Energy: 1.4079462679509784 Energy: 0.876961855607279 Energy: 1.2214204340493717 Energy: 0.7885736219386399 Energy: 1.7563802235311987 Energy: 0.7885736219369834 Energy: 1.2211645416010202 Energy: 0.7865370204352335 Energy: 1.9337485024204317 Energy: 0.7865370204377182 Energy: 1.0210299845215476 Energy: 0.7946830880148767 Energy: 1.751256818132803 Energy: 0.7946830880148767 Energy: 1.0062921595515737 Energy: 0.7870583971898052 Energy: 1.934838990073116 Energy: 0.7870583971914615 Energy: 1.0046598746497437 Energy: 0.7911451774381619 Energy: 1.9322230946635126 Energy: 0.7911451774373337 Energy: 0.789290297937594 Energy: 0.7977940538011079 Energy: 1.7507125282412879 Energy: 0.797794053801936 Energy: 0.7909098132919073 Energy: 0.789020167605783 Energy: 1.9313058112103758 Energy: 0.789020167605783 Energy: 0.7964184167862342 Energy: 0.7906606047189941 Energy: 1.9337620106811133 Energy: 0.790660604718166 Energy: 1.0150298632301857 Energy: 0.7936065893759285 Energy: 1.9221142923872339 Energy: 0.7936065893775849 Energy: 1.0051325646194114 Energy: 0.786745593748908 Energy: 1.9304800148377514 Energy: 0.786745593748908 Energy: 1.0061877046214929 Energy: 0.792285563126666 Energy: 1.5837197429296856 Energy: 0.7922855631274942 Energy: 1.4045229120835854 Energy: 0.7899726734806639 Energy: 1.5806290412041601 Energy: 0.789972673481492 Energy: 1.4122398150088555 Energy: 0.7877628569805221 Energy: 1.754335389958404 Energy: 0.7877628569805221 Energy: 1.4061765685037688 Energy: 0.8719077707597384 Energy: 1.589589084601019 Energy: 0.8719077707580819 Energy: 1.757162790242577 Energy: 0.8692136827799385 Energy: 1.5778022532456717 Energy: 0.8692136827807667 Energy: 1.407952665133259 Energy: 0.8723739804175875 Energy: 1.4038001676185619 Energy: 0.8723739804159311 Energy: 1.7565577016140639 Energy: 0.7876379729143523 Energy: 1.2215401584714636 Energy: 0.7876379729143523 Energy: 1.7567002486356558 Energy: 0.7893017588041236 Energy: 1.4040384931740897 Energy: 0.7893017588041236 Energy: 1.7642975366946425 Energy: 0.7926910776464641 Energy: 1.018517623278002 Energy: 0.7926910776439794 Energy: 1.929207427242857 Energy: 0.7871737406247817 Energy: 1.005334321164976 Energy: 0.78717374062561 Energy: 1.761060478663266 Energy: 0.7927531287161679 Energy: 1.0134540373792702 Energy: 0.7927531287169961 Energy: 1.7577671423416055 Energy: 0.791151178645377 Energy: 0.797546895878443 Energy: 0.7911511786445489 Energy: 1.9299303398635603 Energy: 0.7882938565612632 Energy: 0.7900094958106043 Energy: 0.7882938565629195 Energy: 1.9219701308913686 Energy: 0.7966861815362388 Energy: 0.7884585876180958 Energy: 0.796686181537067 minimum gb energy = 0.7862330797727873 eV minimum distance = 2.23585458422177 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.906438634497935 Energy: 0.7328985518113958 Energy: 1.1221822325926245 Energy: 0.7455866744522085 Energy: 1.8699797476306417 Energy: 0.7303799968393713 Energy: 0.9190343937727 Energy: 0.7303799968400729 Energy: 2.025012877524254 Energy: 0.7291046184352283 Energy: 0.9185760757703172 Energy: 0.7291046184373332 Energy: 1.7353679335293688 Energy: 0.7346367164903121 Energy: 1.27004431025776 Energy: 0.7346367164896105 Energy: 1.7309409314124151 Energy: 0.7253935264078357 Energy: 1.2580296134222302 Energy: 0.7253935264085374 Energy: 1.7238742105443976 Energy: 0.7270984826348191 Energy: 1.2559742939023315 Energy: 0.7270984826334159 Energy: 1.4155094858208592 Energy: 0.733041836896388 Energy: 1.5715062810741691 Energy: 0.7330418368991944 Energy: 1.5786780114667098 Energy: 0.8045957750858789 Energy: 1.2567102453357706 Energy: 0.8045957750879837 Energy: 1.4124316581774439 Energy: 0.7965926888385234 Energy: 1.5658828240281508 Energy: 0.7965926888385234 Energy: 1.4111595011777267 Energy: 0.7973493766909371 Energy: 1.8701534088015217 Energy: 0.7973493767168957 Energy: 1.2678640447062532 Energy: 0.730041506995392 Energy: 1.5817536234797895 Energy: 0.7300415069883762 Energy: 1.0941119526515568 Energy: 0.7256877828354379 Energy: 1.869845901971895 Energy: 0.7256877828347362 Energy: 1.2565594489583898 Energy: 0.7269259917697553 Energy: 1.872229991235246 Energy: 0.7269259917704569 Energy: 0.9232100268460379 Energy: 0.7343962361902863 Energy: 1.5789828132231767 Energy: 0.7343962361909878 Energy: 0.9112576222345277 Energy: 0.726582514775116 Energy: 2.021266167179352 Energy: 0.7265825147765191 Energy: 0.9188646245254103 Energy: 0.7313445489771999 Energy: 1.8766641999167717 Energy: 0.731344548975095 Energy: 0.7377227760362371 Energy: 0.7326112941962903 Energy: 1.8816278482544555 Energy: 0.7326112941941855 Energy: 0.7263854442187947 Energy: 0.7268573444700906 Energy: 2.0194060461203893 Energy: 0.7268573444700906 Energy: 0.7421121269952712 Energy: 0.731997126671479 Energy: 1.7292963329224373 Energy: 0.7319971266707773 Energy: 0.922389865582101 Energy: 0.7299715432146078 Energy: 2.028296336795891 Energy: 0.729971543213906 Energy: 0.9085666604758432 Energy: 0.7265794761571718 Energy: 2.0214126879081724 Energy: 0.7265794761564701 Energy: 0.9265903482880895 Energy: 0.7335386447558142 Energy: 1.734383916481673 Energy: 0.7335386447537094 Energy: 1.2570203414586563 Energy: 0.7277759681735347 Energy: 1.7209130735565001 Energy: 0.7277759681735347 Energy: 1.2597823342436854 Energy: 0.7257804515682087 Energy: 1.8717472709570837 Energy: 0.7257804515689101 Energy: 1.2659163059229268 Energy: 0.7306464189246513 Energy: 1.4254498682956656 Energy: 0.7306464189239498 Energy: 1.5687002173019708 Energy: 0.993361474143301 Energy: 1.8730845447396447 Energy: 0.9933614741404947 Energy: 1.2564996137376832 Energy: 0.7966947447633725 Energy: 1.5680139940002944 Energy: 0.7966947447570583 Energy: 1.5788937708203798 Energy: 0.8044890798315489 Energy: 1.4243660417715325 Energy: 0.8044890798336537 Energy: 1.5724303822878114 Energy: 0.7318376393614532 Energy: 1.5715631465110744 Energy: 0.7318376393607515 Energy: 1.5682170795258843 Energy: 0.727088916785269 Energy: 1.2570657962861687 Energy: 0.7270889167824626 Energy: 1.8802007986745943 Energy: 0.7257480316635964 Energy: 1.0943064937295228 Energy: 0.7257480316271777 Energy: 1.5778705352247449 Energy: 0.7339400257894333 Energy: 1.2680458118852673 Energy: 0.733940025791538 Energy: 1.8734674466514138 Energy: 0.7292271852788277 Energy: 0.9208377903560845 Energy: 0.729227185280231 Energy: 1.869153385570865 Energy: 0.7294939336224373 Energy: 0.9190489742465372 Energy: 0.7294939336245421 Energy: 1.8663549537273803 Energy: 0.7343782243560185 Energy: 0.7506681969304725 Energy: 0.7343782243581233 Energy: 2.0272246985732525 Energy: 0.7288514400829754 Energy: 0.733384113292303 Energy: 0.7288514400822738 Energy: 2.020780763530622 Energy: 0.7296989042078466 Energy: 0.731632786335224 Energy: 0.7296989042078466 minimum gb energy = 0.7253935264078357 eV minimum distance = 2.23480677929078 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 2.1369814618946577 Energy: 0.658020989872331 Energy: 0.6579386906655252 Energy: 0.697108651680702 Energy: 1.9397692912085926 Energy: 0.660479746965242 Energy: 0.828320959614499 Energy: 0.660479746965242 Energy: 1.8719369352376554 Energy: 0.6598417232591994 Energy: 0.8278833031071452 Energy: 0.6598417232598079 Energy: 1.5991672271903352 Energy: 0.658178788069942 Energy: 1.12506815111992 Energy: 0.6581787880687251 Energy: 1.9395733328233524 Energy: 0.6577374168568378 Energy: 1.124413234534386 Energy: 0.6577374168586634 Energy: 1.604226768463717 Energy: 0.658705665292108 Energy: 1.1264460117812451 Energy: 0.6587056652902825 Energy: 1.6008215427349488 Energy: 0.659029754091644 Energy: 1.4009815992515604 Energy: 0.65902975408921 Energy: 1.67503116517831 Energy: 0.657822953725529 Energy: 1.1899428767654407 Energy: 0.6578229537267459 Energy: 1.6030225992898928 Energy: 0.6592271525243832 Energy: 1.4015329132908998 Energy: 0.6592271525414208 Energy: 1.60785356293186 Energy: 0.7806477687393364 Energy: 1.6724768640214103 Energy: 0.7806477687332515 Energy: 1.402064998914468 Energy: 0.6574660482181239 Energy: 1.4655095881778284 Energy: 0.657466048199261 Energy: 1.328229512745419 Energy: 0.6579927509271499 Energy: 1.6733880578269222 Energy: 0.6579927508529425 Energy: 1.4014860812391408 Energy: 0.6574248151868193 Energy: 1.7397142541478532 Energy: 0.6574248151868193 Energy: 1.125119591874814 Energy: 0.6596066733420954 Energy: 1.4631131962584911 Energy: 0.6596066733420954 Energy: 1.0502983315931094 Energy: 0.6571952757177378 Energy: 1.9357048239827674 Energy: 0.6571952757177378 Energy: 1.1256152101723267 Energy: 0.66022050329966 Energy: 1.7353579008835414 Energy: 0.66022050329966 Energy: 0.814715852128229 Energy: 0.6578645712286147 Energy: 1.7353023471160287 Energy: 0.6578645712280062 Energy: 0.8148835834296722 Energy: 0.6581559790183812 Energy: 2.004644279806316 Energy: 0.6581559790183812 Energy: 0.8076864577129356 Energy: 0.6577630653193133 Energy: 1.9969577176695659 Energy: 0.6577630653211387 Energy: 0.7375274471655399 Energy: 0.6577434928013689 Energy: 1.9967447845476942 Energy: 0.6577434928031942 Energy: 0.7347977218464166 Energy: 0.6544299644647148 Energy: 2.0689877502366323 Energy: 0.6544299644659317 Energy: 0.7383452885306451 Energy: 0.6543176374986057 Energy: 1.801357903348165 Energy: 0.6543176374998227 Energy: 0.9014368717826713 Energy: 0.6586540471307849 Energy: 2.0608361351318067 Energy: 0.6586540471295679 Energy: 0.9003143585352557 Energy: 0.6572174959367967 Energy: 2.06546840178546 Energy: 0.6572174959349711 Energy: 0.9017038702514674 Energy: 0.654379093862232 Energy: 1.599805613793645 Energy: 0.6543790938585811 Energy: 1.117284704518865 Energy: 0.6573803517010467 Energy: 2.0023978642243234 Energy: 0.6573803517034807 Energy: 1.1166763592611304 Energy: 0.6567496390315196 Energy: 1.8719800358376142 Energy: 0.6567496390303027 Energy: 1.263061675089865 Energy: 0.6558554704359406 Energy: 1.6014876176401245 Energy: 0.6558554704341152 Energy: 1.405726911692098 Energy: 0.6568957002730875 Energy: 1.806100177460515 Energy: 0.6568957002736959 Energy: 1.4023171801165264 Energy: 0.6567271485493154 Energy: 1.6041624864353694 Energy: 0.6567271485517493 Energy: 1.6799691114484694 Energy: 0.7805561223733597 Energy: 1.3262860381910195 Energy: 0.7805561223709258 Energy: 1.4649913982951603 Energy: 0.7798493377774631 Energy: 1.6210283970926305 Energy: 0.7798493377792886 Energy: 1.675619904646908 Energy: 0.8738984672206902 Energy: 1.3287949660711293 Energy: 0.8738984672194734 Energy: 1.9397666775048414 Energy: 0.6579928870674242 Energy: 1.330499678565169 Energy: 0.6579928868137968 Energy: 1.4637408203796864 Energy: 0.6607903333087288 Energy: 1.124747808309656 Energy: 0.6607903333111628 Energy: 1.940416862748078 Energy: 0.657697175132442 Energy: 1.12346491369873 Energy: 0.6576971751348759 Energy: 1.9981919698996182 Energy: 0.6587654893990902 Energy: 1.1254335860311828 Energy: 0.6587654894015241 Energy: 1.7359884495139954 Energy: 0.6581465122301388 Energy: 0.821741903371704 Energy: 0.6581465122307472 Energy: 2.0739003555411055 Energy: 0.6578287519575139 Energy: 0.8194673621331097 Energy: 0.6578287519581224 Energy: 1.9967884102989486 Energy: 0.6581187451273856 Energy: 0.8292370324185413 Energy: 0.6581187451273856 Energy: 1.7342809192998305 Energy: 0.6577220718053391 Energy: 0.6605044504777389 Energy: 0.6577220718047305 Energy: 2.070087172068297 Energy: 0.6582053073240244 Energy: 0.6590399781537368 Energy: 0.6582053073264307 Energy: 1.8671997550983537 Energy: 0.6599113126332227 Energy: 0.6582490269483028 Energy: 0.6599113126344397 minimum gb energy = 0.6543176374986057 eV minimum distance = 2.23344682617933 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.020482217369673896 Energy: 0.6104046536130844 Energy: 1.6099548489179942 Energy: 0.02129933799604362 Energy: 1.1541583858099413 Energy: 0.16074713680297137 Energy: 1.1555218356580155 Energy: 0.1607471368025036 Energy: 0.021359780973107662 Energy: 0.15834528956220384 Energy: 1.1531654623416026 Energy: 0.15834528956313942 Energy: 0.023065235772890796 Energy: 0.1600408709948101 Energy: 1.1495614331876227 Energy: 0.1600408709948101 Energy: 1.1537160470335868 Energy: 0.16118612221783488 Energy: 1.1529937894245392 Energy: 0.16118612221689935 Energy: 0.02130123345253776 Energy: 0.15817781885247417 Energy: 1.1525571593241262 Energy: 0.15817781885294194 minimum gb energy = 0.020482217369673896 eV minimum distance = 2.45667626683306 Angstroms sigma value = 1