Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.608116634190083 cohesive_energy=4.229961104259564 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.8353705353009e-21, 2.3689303057333798e-20, 4.1711066489556e-20, 6.480932658660719e-20, 9.74046488993568e-20, 1.3667880472859879e-19, 1.7437770049129197e-19, 2.05963010653968e-19, 4.904679242598839e-19, 5.27521463274402e-19, 5.601978557248319e-19, 5.8758225875316e-19, 6.0942793715775e-19, 6.26374159415568e-19, 6.394879751648579e-19, 6.49692238146804e-19, 6.57642238604712e-19, 6.6379299470263795e-19, 6.68495383123428e-19, 6.7201696736496e-19, 6.74569234742922e-19, 6.763108007440799e-19, 6.773281829066699e-19, 6.776614356465419e-19, 6.77302548080526e-19, 6.76139367844242e-19, 6.740244946873619e-19, 6.70778484826878e-19, 6.6620907706671e-19, 6.601656668032619e-19, 6.52488036373134e-19, 6.430255811727299e-19, 6.323855261463359e-19, 6.22182865341024e-19, 6.13479841865136e-19, 6.079250954750579e-19, 6.01774339377132e-19, 5.832083165423399e-19, 5.358591904777379e-19, 4.3828342911387e-19, 2.6200394495801997e-19, -3.0512652906213e-20, -4.88357857632906e-19, -1.176612885183456e-18, -2.1641400883755e-18, -3.3543810880077597e-18, -4.537668641048459e-18, -5.61743956176642e-18, -6.890176636283339e-18, -8.75619971837046e-18, -1.1612464090867619e-17, -1.6314163575705e-17, -2.5074865410416998e-17, -4.210039541161799e-17] 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: 0.02005573272767511 Energy: 0.7692940610748351 Energy: 1.6510176890803987 Energy: 1.359714278372409 Energy: 1.1494154156960885 Energy: 0.47273320936524177 Energy: 0.02121966089248929 Energy: 0.1814048404326403 Energy: 0.6894992782165005 Energy: 0.373653786294669 Energy: 1.0260609598738164 Energy: 0.6587976013689854 Energy: 0.1565257370487916 Energy: 0.18782554854089556 Energy: 0.02038677630596679 Energy: 0.8222225125570254 Energy: 1.3908168317193699 Energy: 1.0196434298313584 Energy: 0.6785257874040408 Energy: 0.26206294968563154 Energy: 0.1862660144504402 Energy: 0.023059366195994652 Energy: 0.6984331634878446 Energy: 0.9472550645706537 Energy: 0.5196936003083747 Energy: 0.8806049734995701 Energy: 0.15700926403137402 Energy: 0.021349082484953343 Energy: 0.1590394455150877 Energy: 1.0384683533515802 Energy: 0.3736969867350956 Energy: 0.9666049753618934 Energy: 0.6324560275006644 Energy: 0.13349012588982892 Energy: 0.16574642216684496 Energy: 0.020440998020011446 Energy: 0.6512699858585096 Energy: 1.0903051055776813 Energy: 1.0284094719994215 Energy: 0.6633989017354386 Energy: 0.2587265783083557 Energy: 0.15723328780358695 minimum gb energy = 0.02005573272767511 eV minimum distance = 2.26432624445686 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.368213693426881 Energy: 1.49481094165674 Energy: 1.2587170160595156 Energy: 1.437771103911518 Energy: 1.4203905765949365 Energy: 1.4501198582403476 Energy: 1.4538023605824608 Energy: 1.1267163827496463 Energy: 1.301216211636793 Energy: 1.1853333408509297 Energy: 1.4734737323516738 Energy: 1.4115938117009517 Energy: 1.136232475123289 Energy: 1.270443739553446 Energy: 1.3372993391504788 Energy: 1.1494892184632592 Energy: 1.3392556333389902 Energy: 1.2153654458312093 Energy: 1.2901777609312777 Energy: 1.2140015903693635 Energy: 1.181596627918299 Energy: 1.264539403638164 Energy: 1.3717355681445125 Energy: 1.2481001097217643 Energy: 1.2713144048790295 Energy: 1.2335705877101473 Energy: 1.2755997501846568 Energy: 1.4234469999348285 Energy: 1.3420124838650083 Energy: 1.2413009277422589 Energy: 1.22916463639704 Energy: 1.132056760741542 Energy: 1.1311611018096133 Energy: 1.2787006921252884 Energy: 1.3402226589366448 Energy: 1.240924793880756 Energy: 1.2607188027278866 Energy: 1.1723592973205166 Energy: 1.154014566840655 Energy: 1.153998253867118 Energy: 1.231580182439929 Energy: 1.4675733782399867 Energy: 1.3841433797664282 Energy: 1.2581408818344972 Energy: 1.2451373934776164 Energy: 1.1955740041851914 Energy: 1.264062863674986 Energy: 1.2674109313944628 Energy: 1.3225274288734814 Energy: 1.2122562055428132 Energy: 1.3463933264766 Energy: 1.2430186702258752 Energy: 1.1866075049774123 Energy: 1.2035985123363189 Energy: 1.2749585849171836 Energy: 1.3104002803368964 Energy: 1.2614078134104991 Energy: 1.1733465093466615 Energy: 1.0357564993793809 Energy: 1.2309916754167267 Energy: 1.3033982858809103 Energy: 1.1166861326906226 Energy: 1.237787216308112 Energy: 1.249742041016934 Energy: 1.1865981932984995 Energy: 1.1822989024994361 Energy: 1.2355197912505034 Energy: 1.3179491575952746 Energy: 1.2421402918227349 Energy: 1.1975524377972568 Energy: 1.2124099410684173 Energy: 1.3126076883455218 Energy: 1.188106079767008 Energy: 1.2138376839129623 Energy: 1.3129362794757715 Energy: 1.2752323052577494 Energy: 1.2478098108893336 Energy: 1.339395499217005 Energy: 1.2433124794916828 Energy: 1.3126940104893368 Energy: 1.3735320430832507 Energy: 1.25944495267549 Energy: 1.2890835095146758 Energy: 1.1435942940717088 Energy: 1.1527442701027262 Energy: 1.282341701832291 Energy: 1.195426303554282 Energy: 1.2550623416605817 Energy: 1.271818458025031 Energy: 1.1693607120476301 Energy: 1.3401027154338931 Energy: 1.3497388611076724 Energy: 1.3550158486596848 Energy: 1.192440477859573 Energy: 1.283556352092904 Energy: 1.2877361191566865 Energy: 1.2410783085988242 Energy: 1.1493910683203903 Energy: 1.2746630623416693 Energy: 1.2278717085375477 Energy: 1.2627873616931804 Energy: 1.2042136502264638 Energy: 1.242875116360622 Energy: 1.205520477727404 Energy: 1.1659225924431376 Energy: 1.3588847506176622 Energy: 1.2516108890874431 Energy: 1.2025828634567213 Energy: 1.2148236654878486 Energy: 1.2380080425498383 Energy: 1.21880723670012 Energy: 1.2560244157720253 Energy: 1.260647143608408 Energy: 1.3079492908039305 Energy: 1.26538385974863 Energy: 1.2008109652503243 Energy: 1.2216760200396943 Energy: 1.1951793440460612 Energy: 1.4293455212179216 Energy: 1.4210907373418746 Energy: 1.1595186701909137 Energy: 1.2109567394436718 Energy: 1.1460003591745118 Energy: 1.1974973090754546 Energy: 1.2724623552170766 Energy: 1.327882708594651 Energy: 1.385964584384786 Energy: 1.3052549308588408 Energy: 1.134774841741913 Energy: 1.1056224693408578 Energy: 1.1305813284564177 Energy: 1.1359061467141733 Energy: 1.176603007182166 Energy: 1.3489173979861977 Energy: 1.25998400336065 Energy: 1.1982449494414544 Energy: 1.1502779302863406 Energy: 1.2103199954169226 Energy: 1.2037940001061684 Energy: 1.244633388165598 Energy: 1.1319295281737207 Energy: 1.4188886014270425 Energy: 1.1568772351882513 Energy: 1.2576199585831171 Energy: 1.3124158983464917 Energy: 1.2903699475060522 Energy: 1.3835667928863347 Energy: 1.2620719236139186 Energy: 1.1788955098602747 Energy: 1.31875213107718 Energy: 1.353094171534334 Energy: 1.2468502113557374 Energy: 1.2888381313792612 Energy: 1.1388114612033549 Energy: 1.2482276824011893 Energy: 1.291229740725759 Energy: 1.2595449879723695 Energy: 1.1751721196007836 Energy: 1.3631008401581564 Energy: 1.1948331224889919 Energy: 1.2674294371140717 Energy: 1.1996771236872967 Energy: 1.306142039921956 Energy: 1.3774103353681788 Energy: 1.158237002672622 Energy: 1.393541968928002 Energy: 1.1544532559473557 Energy: 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1.2851652431884217 Energy: 1.2548145847698677 Energy: 1.297144799211954 Energy: 1.2116679671254011 Energy: 1.2315019620479004 Energy: 1.3992905998509564 Energy: 1.2111537503124725 Energy: 1.2951099731850069 Energy: 1.2250365399413492 Energy: 1.2511352426688405 Energy: 1.2056020241254704 Energy: 1.287182533924771 Energy: 1.344611618272807 Energy: 1.2210991751556903 Energy: 1.2742395638794024 Energy: 1.0929656598501205 Energy: 1.3750452430258702 Energy: 1.2660791198650392 Energy: 1.1186384103992661 Energy: 1.2268793076102273 Energy: 1.2640651451400686 Energy: 1.232949819050416 Energy: 1.3309056443853613 Energy: 1.178998989758268 Energy: 1.349636018502669 Energy: 1.214503253912886 Energy: 1.1712604978256695 Energy: 1.218484026722804 Energy: 1.3150944564413605 Energy: 1.224907480602122 Energy: 1.1235419993140623 Energy: 1.3086813436938454 Energy: 1.206117351281694 Energy: 1.259230969685359 Energy: 1.313059889778025 Energy: 1.127944453031117 Energy: 1.300848050799562 Energy: 1.3853205802337218 Energy: 1.2696484671018249 Energy: 1.330416053311663 Energy: 1.1573137350936145 Energy: 1.1712091699021518 Energy: 1.394585911264727 Energy: 1.161845012307776 Energy: 1.3006011664504709 Energy: 1.2615184682283842 Energy: 1.1940368238106713 Energy: 1.2277709913069481 Energy: 1.2893165464837029 Energy: 1.27711821470749 Energy: 1.2730284862163745 Energy: 1.2841535284577497 Energy: 1.2238267502735645 Energy: 1.2775401578037084 Energy: 1.1910166503363768 Energy: 1.2573857070551833 Energy: 1.218863125407178 Energy: 1.114979291640903 Energy: 1.1299584700799221 Energy: 1.157248964972543 Energy: 1.1735200086519886 Energy: 1.115063806523809 Energy: 1.379078392015265 Energy: 1.174063647969429 Energy: 1.2358252224512238 Energy: 1.2052296910929559 Energy: 1.2147970072975454 Energy: 1.2225398620185919 Energy: 1.2842917527907924 Energy: 1.2692123817067322 Energy: 1.337124646412294 Energy: 1.2581196689240146 Energy: 1.2266956567884124 Energy: 1.1643557285119222 Energy: 1.3232544052509976 Energy: 1.4127023325148245 Energy: 1.439977558307127 Energy: 1.1769039343907386 Energy: 1.1444858527700996 Energy: 1.2300828306480815 Energy: 1.2409992796202824 Energy: 1.2277295909816959 Energy: 1.3556370710081673 Energy: 1.2677944378514012 Energy: 1.3060829305339046 Energy: 1.1317721681686532 Energy: 1.193439747844384 Energy: 1.1393153504572582 Energy: 1.2090577749008888 Energy: 1.4082457645713138 Energy: 1.359569528892742 Energy: 1.2652815135495077 Energy: 1.3499646001597871 Energy: 1.199019644845319 Energy: 1.2577949575189389 Energy: 1.2108216533329506 Energy: 1.2070709704021831 Energy: 1.1083864851174632 Energy: 1.3801906408541325 Energy: 1.1721688747970234 Energy: 1.2284428466150814 Energy: 1.285805777037206 Energy: 1.1296956353743544 Energy: 1.427935699575872 Energy: 1.3446831830920036 Energy: 1.1374421737624807 Energy: 1.1860068961152777 Energy: 1.3050463965956254 Energy: 1.2965838050512446 Energy: 1.313031674679868 Energy: 1.1890772139965116 Energy: 1.24992030820066 Energy: 1.2960940902835927 Energy: 1.2314498277317238 Energy: 1.3275322145725312 Energy: 1.3261573697834454 Energy: 1.2643429400432642 Energy: 1.257544017824461 Energy: 1.1903902927353809 Energy: 1.2377069078940883 Energy: 1.230633450164076 Energy: 1.192705019243265 Energy: 1.2284333299694568 Energy: 1.242414370002428 Energy: 1.1918400569884369 minimum gb energy = 1.0357564993793809 eV minimum distance = 2.21989811359794 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.233836507017066 Energy: 1.412709281467694 Energy: 1.2691818976266984 Energy: 1.2450922282566315 Energy: 1.6230494876784252 Energy: 1.228188376278393 Energy: 1.283040651899868 Energy: 1.2703876008580888 Energy: 1.2105261731389203 Energy: 1.211355762627812 Energy: 1.3902914664838804 Energy: 1.427441760396211 Energy: 1.4440209854300083 Energy: 1.1606557431145461 Energy: 1.218698975768674 Energy: 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Energy: 1.312719746869276 Energy: 1.3174336943067664 Energy: 1.376191103710074 Energy: 1.1205858355458427 Energy: 1.2430976602160992 Energy: 1.1763393772293842 Energy: 1.322324205750008 Energy: 1.3253767675822705 Energy: 1.332820445499604 Energy: 1.1047165811605688 Energy: 1.2354843414450014 Energy: 1.1716476948548624 Energy: 1.1796143785441942 Energy: 1.416034254856243 Energy: 1.2921324171581043 Energy: 1.2801930628099956 Energy: 1.1412769230950417 Energy: 1.108044902972579 Energy: 1.3062545417663542 Energy: 1.4783746882134154 Energy: 1.1716672500339156 Energy: 1.4335231604017313 Energy: 1.1117050991635187 Energy: 1.1266937276395654 Energy: 1.1367022543396539 Energy: 1.1763977960413148 Energy: 1.193309976621602 Energy: 1.516558099226026 Energy: 1.4809347376421014 Energy: 1.2988811631088633 Energy: 1.1137858589066145 Energy: 1.2145659571145726 Energy: 1.2988324358125307 Energy: 1.225195755907871 Energy: 1.22966893180912 Energy: 1.3292648874450907 Energy: 1.291474092374157 Energy: 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1.2670451702971302 Energy: 1.2142944185952316 Energy: 1.2165854674594463 Energy: 1.3163818067199589 Energy: 1.1602294598203096 Energy: 1.2720947644378129 Energy: 1.4033166203387628 Energy: 1.2023482805903112 Energy: 1.1989466330496592 Energy: 1.1162091298265335 Energy: 1.188734470534472 Energy: 1.2180190353814602 Energy: 1.5383353260593524 Energy: 1.250079257205431 Energy: 1.388545966288065 Energy: 1.1503568305746668 Energy: 1.1122149452061443 Energy: 1.1674371906548249 Energy: 1.1763308926051002 Energy: 1.2389271930722094 Energy: 1.41406142854284 Energy: 1.0099260068736584 Energy: 1.1531516893772928 Energy: 1.2261879801233289 Energy: 1.2724998759244244 Energy: 1.216741018507435 Energy: 1.3073684380784085 Energy: 1.3753468658130628 Energy: 1.2291018000697997 Energy: 1.205910484602133 Energy: 1.265777208188679 Energy: 1.0423063449531913 Energy: 1.2914788676166602 Energy: 1.2175939033970617 Energy: 1.1856667227599798 Energy: 1.2830104098926476 Energy: 1.2395130340980807 Energy: 1.1120065392195393 Energy: 1.0942843419396313 Energy: 1.169095302864006 Energy: 1.1321248051836286 Energy: 1.2174408737597733 Energy: 1.2099827722434457 Energy: 1.4173059000466064 Energy: 1.5191157327403055 Energy: 1.2256968439964395 Energy: 1.146841789707663 Energy: 1.1811657482595201 Energy: 1.0543470628488958 Energy: 1.4245599321246667 Energy: 1.368359860863722 Energy: 1.5318518797547729 Energy: 1.1185307049894695 Energy: 1.2239838961838814 Energy: 1.137171763235294 Energy: 1.1732937932392442 Energy: 1.3244083873365755 Energy: 1.2922193091909737 Energy: 1.485036156324951 Energy: 1.1728618092118224 Energy: 1.2407084571006186 Energy: 1.0709433424070638 Energy: 1.1149047291793543 Energy: 1.3248219744686058 Energy: 1.4390090546068224 Energy: 1.107369900574573 Energy: 1.2805992494205285 Energy: 1.3240597156437006 Energy: 1.245688762322172 Energy: 1.2722857106511138 Energy: 1.3095071030241447 Energy: 1.193635098478221 Energy: 1.2167077009437464 Energy: 1.2638578010458887 Energy: 1.1976022015014993 Energy: 1.4684743194127436 Energy: 1.355404140013174 Energy: 1.1547397007438778 Energy: 1.1117478202695985 Energy: 1.134641341807884 Energy: 1.1853585153523551 Energy: 1.1934826907653346 Energy: 1.317047818187667 Energy: 1.3599065220502917 Energy: 1.1644319731466977 Energy: 1.1988657602646815 minimum gb energy = 0.9667916648742936 eV minimum distance = 2.23318776884258 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.3935718227623943 Energy: 1.3859473478417081 Energy: 1.2968461660912374 Energy: 1.2427701715640944 Energy: 1.3309544593384415 Energy: 1.2010925595050763 Energy: 1.4567583610494979 Energy: 1.3595437643388513 Energy: 1.1085995318783881 Energy: 1.257591656572459 Energy: 1.2282205231576873 Energy: 1.2638944208245406 Energy: 1.244363045524366 Energy: 1.2939786397444781 Energy: 1.2033128007837153 Energy: 1.115813188086854 Energy: 1.1886113309016486 Energy: 1.2274325119685348 Energy: 1.2650645411714365 Energy: 1.2023832438540012 Energy: 1.218706297950995 Energy: 1.264985911963617 Energy: 1.279243560199425 Energy: 1.2576154580329926 Energy: 1.2672684854889797 Energy: 1.263135126575731 Energy: 1.22863992146107 Energy: 1.346494936444889 Energy: 1.3624902970799584 Energy: 1.2313781586117607 Energy: 1.2986336700505203 Energy: 1.36903451207818 Energy: 1.163418733971967 Energy: 1.3158687177396735 Energy: 1.1639862683944715 Energy: 1.2084248722622921 Energy: 1.0347541598210246 Energy: 1.3523276770064954 Energy: 1.0760113838765684 Energy: 1.0893196621033865 Energy: 1.266988767520487 Energy: 1.0413870554181819 Energy: 1.2936051695659978 Energy: 1.1781950492240927 Energy: 1.324805189323502 Energy: 1.1651664279804408 Energy: 1.2205264609399165 Energy: 1.2170893261314855 Energy: 1.3061994922012452 Energy: 1.3300997451930126 Energy: 1.1525334863279475 Energy: 1.2850669057742785 Energy: 1.2235501688200452 Energy: 1.2254261413971317 Energy: 1.2989250072214726 Energy: 1.20515041743379 Energy: 1.2518776386583417 Energy: 1.1146693976828965 Energy: 1.2407932584860648 Energy: 1.1846632185365231 Energy: 1.2453056922078205 Energy: 1.208640000813961 Energy: 1.2483957740017049 Energy: 1.2413737194288508 Energy: 1.1320756705415975 Energy: 1.3077183805298285 Energy: 1.2826580860331105 Energy: 1.2169886443858364 Energy: 1.245111197623642 Energy: 1.250153010794736 Energy: 1.388889335621957 Energy: 1.1517132202246538 Energy: 1.3467261778539052 Energy: 1.314987864894662 Energy: 1.1804196435757022 Energy: 1.358692197042605 Energy: 1.2117939865590797 Energy: 1.1773893552766523 Energy: 1.1251381968167202 Energy: 1.3115399323720665 Energy: 1.155149458459264 Energy: 1.1289863017736328 Energy: 1.246908078410248 Energy: 1.1613926745353453 Energy: 1.316556521237312 Energy: 1.2622028080062966 Energy: 1.3301196005332643 Energy: 1.0844104416907925 Energy: 1.1948470208570054 Energy: 1.189243393952811 Energy: 1.1588089347109332 Energy: 1.3279842687104475 Energy: 1.2573975824247716 Energy: 1.3319075741071429 Energy: 1.2161178428796233 Energy: 1.2483103311037937 Energy: 1.3061259010325896 Energy: 1.1487775950976886 Energy: 1.2147515573645793 Energy: 1.189091900742224 Energy: 1.2894557844586105 Energy: 1.1402722039660635 Energy: 1.1568286734593343 Energy: 1.1898310593280559 Energy: 1.1384338411948205 Energy: 1.2586949493190656 Energy: 1.2808564304707717 Energy: 1.3275713847557835 Energy: 1.2576519504813792 Energy: 1.2258441025709 Energy: 1.3366199358426505 Energy: 1.1732447537211599 Energy: 1.3010761041208991 Energy: 1.194181498423483 Energy: 1.2838127038042704 Energy: 1.3475076555169105 Energy: 1.4360861448847562 Energy: 1.4042812548589594 Energy: 1.1459203146324262 Energy: 1.2913227658497677 Energy: 1.0229822116109515 Energy: 1.3846490524277977 Energy: 1.1857623147781262 Energy: 1.133022300735863 Energy: 1.2720345274036746 Energy: 1.1263627591783363 Energy: 1.3218880263075226 Energy: 1.1062013613605353 Energy: 1.219885676608333 Energy: 1.186180882508414 Energy: 1.2884280720247727 Energy: 1.3109764892681552 Energy: 1.2907463032863307 Energy: 1.2802779708575815 Energy: 1.219745635022221 Energy: 1.267243931895977 Energy: 1.2538972167102964 Energy: 1.307150560939615 Energy: 1.3637149707249698 Energy: 1.2509994991292603 Energy: 1.2498559313356306 Energy: 1.2083074019575388 Energy: 1.2526522138598637 Energy: 1.1568600796386097 Energy: 1.3180311502579427 Energy: 1.16793948370484 Energy: 1.1369478389462548 Energy: 1.2486877245343526 Energy: 1.19622933097167 Energy: 1.3016374547866871 Energy: 1.0886068819149306 Energy: 1.11118380009038 Energy: 1.2425472112250118 Energy: 1.160344756747395 Energy: 1.3558527795983104 Energy: 1.2669083305397104 Energy: 1.4034497298615756 Energy: 1.323287043320238 Energy: 1.3286710324733062 Energy: 1.3494705465325387 Energy: 1.0943915696101256 Energy: 1.2903930065530818 Energy: 1.0361949897854927 Energy: 1.4131782290485775 Energy: 1.1956752801778585 Energy: 1.1362708066181817 Energy: 1.2340589940951507 Energy: 1.191800527203833 Energy: 1.2241594076375364 Energy: 1.1276839927699052 Energy: 1.3432835505738654 Energy: 1.0978083043368776 Energy: 1.1911683172234853 Energy: 1.2707057354257894 Energy: 1.253349110329156 Energy: 1.3117809216099967 Energy: 1.278025147434192 Energy: 1.2866551697840873 Energy: 1.26906055106063 Energy: 1.2193808298256579 Energy: 1.2573253124782937 Energy: 1.2638505122265296 Energy: 1.2691586245184157 Energy: 1.128231711614983 Energy: 1.252257098546687 Energy: 1.1639408483224019 Energy: 1.2661532507838924 Energy: 1.2334600762479386 Energy: 1.2826119388900197 Energy: 1.198471103710948 Energy: 1.1487228790672663 Energy: 1.309461552208864 Energy: 1.1194257754134487 Energy: 1.1134289788069434 Energy: 1.2953534953312087 Energy: 1.222147726813227 Energy: 1.3235465070819805 Energy: 1.1255017426784912 Energy: 1.341696146188243 Energy: 1.3708824880645136 Energy: 1.1509018477467479 Energy: 1.361948036519997 Energy: 1.159185924484158 Energy: 1.2761992385533072 Energy: 1.1008784576287016 Energy: 1.3870061165852552 Energy: 1.1858223344508785 Energy: 1.1496734485951863 Energy: 1.2789438253082286 Energy: 1.1456187453161844 Energy: 1.2880627149958348 Energy: 1.0783409027097304 Energy: 1.2978713454811546 Energy: 1.1192829708481373 Energy: 1.1192963263490088 Energy: 1.2412843914912906 Energy: 1.1740827286149933 Energy: 1.279647512522835 Energy: 1.2664289838453868 Energy: 1.3398846854318276 Energy: 1.2820731807134575 Energy: 1.2645720386854757 Energy: 1.243867297547534 Energy: 1.2148680382078896 Energy: 1.292589839915258 Energy: 1.1445485527520078 Energy: 1.2680906183867413 Energy: 1.1254487367884467 Energy: 1.3031717079035854 Energy: 1.1832266360627937 Energy: 1.2206449320497188 Energy: 1.2028480103975618 Energy: 1.09961363792634 Energy: 1.313275099131249 Energy: 1.1573336747628553 Energy: 1.165870109798717 Energy: 1.2207610334000234 Energy: 1.091404055429591 Energy: 1.3751208293086905 Energy: 1.2008676187509566 Energy: 1.3169163048565233 Energy: 1.1637605947607148 Energy: 1.1770096444928109 Energy: 1.4271113330924514 Energy: 1.1764204563078762 Energy: 1.367856551340722 Energy: 1.1591767274741192 Energy: 1.3271525108057025 Energy: 1.227789881483748 Energy: 1.1666279937780277 Energy: 1.2859982452202798 Energy: 1.4021955879094563 minimum gb energy = 1.0229822116109515 eV minimum distance = 2.22818349462938 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.0792575392160455 Energy: 1.304116877645043 Energy: 1.500356619446952 Energy: 1.4201276247445485 Energy: 1.3791748122996155 Energy: 1.2154797222722649 Energy: 1.1201459174615003 Energy: 1.1951390092932839 Energy: 1.0538212337529125 Energy: 1.4028218071171985 Energy: 1.1366448100664692 Energy: 1.1362453260066305 Energy: 1.2462081650431556 Energy: 1.289397498463132 Energy: 1.5055988673882212 Energy: 1.1236331861987803 Energy: 1.220262357640041 Energy: 1.214537598426536 Energy: 1.1145967423345806 Energy: 1.1955724769243434 Energy: 1.3345353350148201 Energy: 1.2202086974418986 Energy: 1.3380752909889235 Energy: 1.2661508419682623 Energy: 1.1210314327922837 Energy: 1.1778392602578334 Energy: 1.3802537335352016 Energy: 1.3600539740810387 Energy: 1.226304207496198 Energy: 1.1317981905327765 Energy: 1.267739642606947 Energy: 1.2066892769909912 Energy: 1.16614364989819 Energy: 1.2596158858262578 Energy: 1.296302863199394 Energy: 1.150682491520395 Energy: 1.2190076629291797 Energy: 1.3341170128950546 Energy: 1.2405693807481795 Energy: 1.192382935538252 Energy: 1.1806272237349957 Energy: 1.3100255311679283 Energy: 1.3241305438508872 Energy: 1.115582044210162 Energy: 1.5294047659796768 Energy: 1.5086476094197039 Energy: 1.0939691847968402 Energy: 1.113222380997024 Energy: 1.1567877096479524 Energy: 1.1286472242220795 Energy: 1.1126345431352904 Energy: 1.0725236999761913 Energy: 1.1198534244805953 Energy: 1.227819185337994 Energy: 1.1489397601876472 Energy: 1.3209671143407993 Energy: 1.0970758083982062 Energy: 1.111528857727057 Energy: 1.4083254791866542 Energy: 1.105503954435277 Energy: 1.0640287629772207 Energy: 1.2771230654593353 Energy: 1.3223919698825162 Energy: 1.428433005305728 Energy: 1.2098575546469335 Energy: 1.2117591243689745 Energy: 1.1759238855647705 Energy: 1.1918052781290236 Energy: 1.2087024073077108 Energy: 1.1981341280259927 Energy: 1.2544298059523038 Energy: 1.1497082534523184 Energy: 1.1562946541742183 Energy: 1.2141657077866452 Energy: 1.1090416564330277 Energy: 1.2218661929567651 Energy: 1.3411640889951355 Energy: 1.256803816370542 Energy: 1.1429703331783703 Energy: 1.3517069694347912 Energy: 1.1696805534037344 Energy: 1.1888893600637733 Energy: 1.393838901998568 Energy: 1.3131662621550722 Energy: 1.0925465970818278 Energy: 1.1800896453488663 Energy: 1.3087034736926635 Energy: 1.2144994790258643 Energy: 1.2302839499124263 Energy: 1.2474821817578123 Energy: 1.2302444350544066 Energy: 1.427970962110107 Energy: 1.0261006610446695 Energy: 1.5321366685929938 Energy: 1.0305599778360024 Energy: 1.109016748219701 Energy: 1.1246415661275848 Energy: 1.254980920023738 Energy: 1.1471824375500803 Energy: 0.982459774303051 Energy: 1.1287506554718618 Energy: 1.0966665232018045 Energy: 1.104712116997931 Energy: 1.1391919044526717 Energy: 1.2690200097793094 Energy: 1.082816354347217 Energy: 1.1972198901985498 Energy: 1.5136671988129005 Energy: 1.1561350129656907 Energy: 1.3697319071491554 Energy: 1.2097557998199944 Energy: 1.127559826945707 Energy: 1.1583461768429066 Energy: 1.0555717595530907 Energy: 1.3732123323123187 Energy: 1.1909164887271608 Energy: 1.1926998399106818 Energy: 1.2490329403562568 Energy: 1.2927251353103264 Energy: 1.4975003174148944 Energy: 1.1208668461055562 Energy: 1.2042523878008888 Energy: 1.205772661247853 Energy: 1.1198953359180515 Energy: 1.203062919112346 Energy: 1.3312092321130347 Energy: 1.2145021333072255 Energy: 1.2854156458797774 Energy: 1.3538360851385367 Energy: 1.1251500170101438 Energy: 1.1885320120014096 Energy: 1.3806250663249715 Energy: 1.3860146929210433 Energy: 1.228860962551307 Energy: 1.1321701731749523 Energy: 1.2683022181733385 Energy: 1.2120654158054232 Energy: 1.1592084689838094 Energy: 1.2612110236762748 Energy: 1.2412875020647265 Energy: 1.151810119071567 Energy: 1.0963750906528096 Energy: 1.0864113671735847 Energy: 1.3081582319712628 Energy: 1.1912026429810452 Energy: 1.1584551483351027 Energy: 1.3045646076850772 Energy: 1.3836838334092045 Energy: 1.0637665738189008 Energy: 1.5467705148577346 Energy: 1.5112093565306717 Energy: 1.2281127870850916 Energy: 1.1153040499612332 Energy: 1.1520325733795524 Energy: 1.0940950149756508 Energy: 1.1104027211131 Energy: 1.1008704911849387 Energy: 1.1241821807638348 Energy: 1.2116213883045763 Energy: 1.1513214048465708 Energy: 1.3034254972440062 Energy: 1.1051435820620572 Energy: 1.1124095823281803 Energy: 1.0153161016987227 Energy: 1.1043219878860795 Energy: 1.0626066299764292 Energy: 1.2705598466560564 Energy: 1.30189805492513 Energy: 1.369752021555503 Energy: 1.3638040063623278 Energy: 1.210938359638961 Energy: 1.1663837501813885 Energy: 1.0921127978445344 Energy: 1.19151013912854 Energy: 1.2016913128004465 Energy: 1.246830801066661 Energy: 1.080763463475161 Energy: 1.1504826839729287 Energy: 1.3053330522841156 Energy: 1.1101499024827128 Energy: 1.2143652037405959 Energy: 1.3874691284477143 Energy: 1.2490723414981348 Energy: 1.145853551150238 Energy: 1.3331317898792283 Energy: 1.1702841480407498 Energy: 1.2194012038339288 Energy: 1.4539537729674918 Energy: 1.3277092116748272 Energy: 1.123348428958348 Energy: 1.1757164582861308 Energy: 1.3102232852319424 Energy: 1.212719852617328 Energy: 1.2330249858122286 Energy: 1.220680480756817 Energy: 1.2307141224845066 Energy: 1.3875955156339774 Energy: 1.0739038871945004 Energy: 1.5316111667975818 Energy: 1.0340099367734754 Energy: 1.1113625356133234 Energy: 1.1280188478646889 Energy: 1.1464447460859815 Energy: 1.1404677406437778 Energy: 0.9760623753146211 Energy: 1.1162151535140898 Energy: 0.9090696757123267 Energy: 1.1436791849219043 Energy: 1.1408302810374547 Energy: 1.2693940541238002 minimum gb energy = 0.9090696757123267 eV minimum distance = 2.23236255147006 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.330541888795143 Energy: 1.5184464855380395 Energy: 1.445266724599258 Energy: 1.5102958476171773 Energy: 1.3477988571437332 Energy: 1.2436172803003909 Energy: 1.3134040775313067 Energy: 1.2455380561227434 Energy: 1.0310678121752521 Energy: 1.2965558259173453 Energy: 1.1057982654969436 Energy: 1.2648430411169782 Energy: 1.3333868005712035 Energy: 1.2729050786322966 Energy: 1.273567030668113 Energy: 1.0165997510169793 Energy: 1.2622159479717154 Energy: 1.3074570452244731 Energy: 1.199563735500086 Energy: 1.2815670116380544 Energy: 1.1028136636125812 Energy: 1.30983192312882 Energy: 1.1558436546954294 Energy: 1.1745610677846994 Energy: 1.0795463272623365 Energy: 1.1943978017900851 Energy: 1.2040418534265582 Energy: 1.3908422907846207 Energy: 1.195510988526483 Energy: 1.1556376612408503 Energy: 1.2630491204531997 Energy: 1.0971640302839651 Energy: 1.1671053042450072 Energy: 1.4282284196027393 Energy: 1.1483691005104095 Energy: 1.124097394487614 Energy: 1.1214910391502277 Energy: 1.307224943588502 Energy: 1.2362529880556554 Energy: 0.98104426817026 Energy: 1.217976760880273 Energy: 0.9672181577922291 Energy: 1.2718396012275288 Energy: 1.2920224714375956 Energy: 1.2175426822901587 Energy: 1.1775488465185235 Energy: 1.0491533116403844 Energy: 1.0745896770018746 Energy: 1.1590055224909266 Energy: 1.1740340493244645 Energy: 1.071697927907151 Energy: 1.2669464301191335 Energy: 1.3679115143927985 Energy: 1.201654689393323 Energy: 1.1962723804576316 Energy: 1.182234009107192 Energy: 1.0959196200143644 Energy: 1.0531453417877183 Energy: 1.3664749630214692 Energy: 1.142515727383621 Energy: 1.1262398911845775 Energy: 1.4512787717882527 Energy: 1.364546550652032 Energy: 1.3804889577883703 Energy: 1.2972721604186275 Energy: 1.2507781515331857 Energy: 1.1755880918670276 Energy: 1.3517319038741649 Energy: 1.1451202368695719 Energy: 1.3049034939398163 Energy: 1.294547100163682 Energy: 1.1342930887531342 Energy: 1.0909077318760863 Energy: 1.0504044724818704 Energy: 1.2764616533735562 Energy: 1.2816524858052702 Energy: 1.3701800525259376 Energy: 1.3717035692759427 Energy: 1.1793481159804047 Energy: 1.146827355537262 Energy: 1.282707099059838 Energy: 1.2965042567040173 Energy: 1.2810978011572756 Energy: 1.1950243637522933 Energy: 1.3358204861646819 Energy: 1.192774259451738 Energy: 1.3822173969112592 Energy: 1.1678474329526274 Energy: 1.1796605433323673 Energy: 1.270977603547275 Energy: 1.3234969108875907 Energy: 1.2814942879681166 Energy: 1.242443891855522 Energy: 1.4202357609389193 Energy: 1.1862886321968558 Energy: 1.2413281600869541 Energy: 1.3607487857377067 Energy: 1.3544237673904373 Energy: 1.3709064725383204 Energy: 1.0251773802479331 Energy: 1.1710068120984838 Energy: 1.3504131994322197 Energy: 1.2990283835254535 Energy: 1.3132270475382684 Energy: 1.5541461285769327 Energy: 1.324429300680698 Energy: 1.0879992471658722 Energy: 1.213137256619401 Energy: 1.262061817106546 Energy: 1.1684323509617744 Energy: 1.32029182472004 Energy: 1.450569137356539 Energy: 1.2736641127396202 Energy: 1.2540637225497795 Energy: 1.2914212168031007 Energy: 0.9714044738857595 Energy: 1.0167745248113846 Energy: 1.3133034852197185 Energy: 1.0743158271191533 Energy: 1.0329399242405815 Energy: 1.2211327640583793 Energy: 1.3677172190289315 Energy: 1.273866478764767 Energy: 1.4623815349353033 Energy: 1.3848313057920194 Energy: 1.1677715037757446 Energy: 1.4238580846661104 Energy: 0.9914130833376553 Energy: 1.3213560274371337 Energy: 1.217349672398082 Energy: 1.1862858472854485 Energy: 1.1916340805113164 Energy: 0.9604684794795084 Energy: 1.544317349353264 Energy: 1.1279155063910107 Energy: 1.2477994971124395 Energy: 1.3473949298268553 Energy: 1.2749316932954204 Energy: 1.1555317106949599 Energy: 1.119738998562922 Energy: 1.1491880543255226 Energy: 1.3496021917293146 Energy: 1.34626383158383 Energy: 1.2356417474760966 Energy: 1.2065422039488265 Energy: 1.3190429508793424 Energy: 1.2799486566039722 Energy: 1.391816508789606 Energy: 1.2539207831398487 Energy: 1.1673133881862954 Energy: 1.2421114277096585 Energy: 1.2061228185680644 Energy: 1.1248538166122615 Energy: 1.1800309741572386 Energy: 1.2562528587681705 Energy: 1.2597388003905683 Energy: 1.343171462967437 Energy: 1.2995477321155555 Energy: 1.2785336218222436 Energy: 1.4106071481189961 Energy: 1.3048513367443195 Energy: 1.3684918347467199 Energy: 1.4648488839463112 Energy: 1.3710430756765524 Energy: 1.5351171204356286 Energy: 1.3080394095439232 Energy: 1.306063161306518 Energy: 1.4514687644779682 Energy: 1.2884417175792848 Energy: 1.039903649729725 Energy: 1.3114470490291203 Energy: 1.2068434513265176 Energy: 1.1693888956197414 Energy: 1.4058069391970676 Energy: 1.3782226442268553 minimum gb energy = 0.9604684794795084 eV minimum distance = 2.22566042307209 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.2756978422750145 Energy: 1.4050151520120833 Energy: 1.4201257610758038 Energy: 1.356697781345867 Energy: 1.42866436082278 Energy: 1.2424265943470498 Energy: 1.4484025102758682 Energy: 1.3444571015790978 Energy: 1.2115633012851614 Energy: 1.2456013953114995 Energy: 1.147390580689597 Energy: 1.1887807995117163 Energy: 1.2073655964053935 Energy: 1.257733135202901 Energy: 1.374704842294704 Energy: 1.200052714268644 Energy: 1.2947655837026049 Energy: 1.1627836364061375 Energy: 1.256267633254947 Energy: 1.1418784995340008 Energy: 1.093163185137692 Energy: 1.2446586439382203 Energy: 1.25482123527358 Energy: 1.257401310395957 Energy: 1.1970318598947682 Energy: 1.2534937392496532 Energy: 1.3386397786759014 Energy: 1.164301261475399 Energy: 1.158882931485473 Energy: 1.0860506794744278 Energy: 1.1726403155551621 Energy: 1.0914539701900523 Energy: 1.1829066734614941 Energy: 1.2494536392657258 Energy: 1.2392207605130963 Energy: 1.16768101507479 Energy: 0.9124182559709222 Energy: 1.339951213058569 Energy: 1.2480267136064882 Energy: 1.09217588020161 Energy: 1.310087517596529 Energy: 1.239910802853768 Energy: 1.4007391699549605 Energy: 0.9745467577878006 Energy: 1.3080664650842957 Energy: 1.166004850676401 Energy: 1.1424494118629904 Energy: 1.2181730174294778 Energy: 1.0223846857254555 Energy: 1.3004646759690925 Energy: 0.7710366646230509 Energy: 1.142294671803843 Energy: 1.1610100880262042 Energy: 1.0420762952460987 Energy: 1.1503102759491788 Energy: 0.9545499627175992 Energy: 1.2222293601336567 Energy: 0.9655196832044045 Energy: 1.3284939109237006 Energy: 1.1179518367453973 Energy: 1.1173610670055412 Energy: 1.3169528271303341 Energy: 1.2224519301361854 Energy: 1.2329435884700732 Energy: 1.0951743321004974 Energy: 1.2887609666761184 Energy: 0.9431191333216523 Energy: 0.9164633178469261 Energy: 1.2831658403071344 Energy: 1.2112082694743256 Energy: 1.2651767485173182 Energy: 1.0540794740279547 Energy: 1.2354262603396076 Energy: 1.0857045611381984 Energy: 1.1329845199140083 Energy: 1.1359643135520832 Energy: 0.9921341481725819 Energy: 1.432846181391838 Energy: 0.8947077187054259 Energy: 1.3439222886278281 Energy: 1.0668635896220915 Energy: 1.1775153579507336 Energy: 1.1940611370194245 Energy: 0.939623470886767 Energy: 1.318997764390879 Energy: 0.7934588884411826 Energy: 1.2027180080549527 Energy: 1.1578115689122963 Energy: 1.2052121980309836 Energy: 1.2120196748795111 Energy: 1.1261446542768163 Energy: 1.2924052021455943 Energy: 1.0290309548426786 Energy: 1.3107638347074744 Energy: 1.0140375046619654 Energy: 1.2774867808082027 Energy: 1.357249907277457 Energy: 1.2144486017525105 Energy: 1.2107476462703286 Energy: 1.1601956573724987 Energy: 1.3209057012727543 Energy: 1.2031448795679318 Energy: 1.2665626380190138 Energy: 1.2855801227282482 Energy: 1.2350848918599173 Energy: 1.1578882550457623 Energy: 0.9349007306100995 Energy: 1.107628108749908 Energy: 1.0647170631465943 Energy: 1.079213873774772 Energy: 1.1522900213579517 Energy: 1.1215599684324333 Energy: 1.3522613345512104 Energy: 0.9509396979732015 Energy: 1.268333246056229 Energy: 1.0234750193381161 Energy: 1.1301293934655452 Energy: 1.2053951335317235 Energy: 1.0984571372694816 Energy: 1.175062401828295 Energy: 1.124301220567519 Energy: 1.2871365570269948 Energy: 1.1736529378923992 Energy: 1.1952786224918692 Energy: 1.2944514751936516 Energy: 1.2889590816918464 Energy: 1.2602533685010864 Energy: 1.2566314464598278 Energy: 1.181832555348111 Energy: 1.1734536839190675 Energy: 1.0970530747482137 Energy: 1.3358198228304008 Energy: 1.1708547165896033 Energy: 1.2927238747952174 Energy: 1.2103840259461742 Energy: 1.2990021084525745 Energy: 1.2844947539405165 Energy: 1.2315682797477 Energy: 1.3172162626066326 Energy: 1.217366011757148 Energy: 1.4132574320997977 Energy: 1.148524213843382 Energy: 1.312672851305422 Energy: 1.1634634962495543 Energy: 1.1858713216769987 Energy: 1.2469143342680615 Energy: 1.1519765677739466 Energy: 1.4124988462063708 Energy: 1.2153010445317207 Energy: 1.322721809545897 Energy: 1.1800031744556345 Energy: 1.163314242422491 Energy: 1.1782256312877204 Energy: 1.2094574162071599 Energy: 1.2861491901069702 Energy: 1.2111936675872363 Energy: 1.4137679848634466 Energy: 1.2310220433551575 Energy: 1.159459467022002 Energy: 1.3172830767524861 Energy: 1.2302606010496158 Energy: 1.3349355029123662 Energy: 1.25138722502793 Energy: 1.1511431811294108 Energy: 1.1202255999820925 Energy: 1.2695576477535688 Energy: 1.2263225429919582 Energy: 1.1763063239898826 Energy: 1.2379584774133863 Energy: 1.2256599489206952 Energy: 1.3041573604423764 Energy: 1.2493854046169988 Energy: 1.288304206229155 Energy: 1.2704493986433623 Energy: 1.2154136909889224 Energy: 1.2708754517118352 Energy: 1.2311177014433368 Energy: 1.2667907689222377 Energy: 1.2578225704666228 Energy: 1.044332426260738 Energy: 1.254713120034074 Energy: 1.277126529684672 Energy: 1.2151332576295006 Energy: 1.1783472721863877 Energy: 1.1941069817303345 Energy: 1.0894635309282996 Energy: 0.9803707474138814 Energy: 1.310118930893262 Energy: 1.1895654256064616 Energy: 1.1758716088765109 Energy: 1.3952680589632853 Energy: 1.2644102256563752 Energy: 1.4325228446026226 Energy: 1.2916311843386492 Energy: 1.3699978283544487 Energy: 1.1643769574579967 Energy: 1.3622339553734581 Energy: 0.8984039918956684 Energy: 1.305896380175926 Energy: 1.1856564475660742 Energy: 1.1540619353215662 Energy: 1.1978897380569304 Energy: 1.325973397399526 Energy: 1.4026541448547847 Energy: 0.7495888756713716 Energy: 1.2051964295961946 Energy: 1.0757387657503827 Energy: 1.1353334064960137 Energy: 1.1925574191515274 Energy: 0.9597123938351622 Energy: 1.2367795471450442 Energy: 0.9549626522081256 Energy: 1.3529299164221333 Energy: 0.9837975229298586 Energy: 1.1135303136960686 Energy: 1.3249566359068108 Energy: 1.005505415760359 Energy: 1.2590201991791523 Energy: 1.1177197785632689 Energy: 1.295095770643934 Energy: 0.8937496278053456 Energy: 0.9288263835706203 Energy: 1.1688280728519498 Energy: 0.9045333579893495 Energy: 1.2314235314348037 Energy: 0.8258446583812918 Energy: 1.3077904327203165 Energy: 1.0739266026139076 Energy: 1.0973702377343373 Energy: 1.1329040720768482 Energy: 1.0128571975755503 Energy: 1.1998904339743073 Energy: 1.032490102410205 Energy: 1.329847232232159 Energy: 1.0700751732245117 Energy: 1.2122255904607293 Energy: 1.213439237532481 Energy: 0.8804504584076194 Energy: 1.3362915399431505 Energy: 0.9778188419734593 Energy: 1.2045384494972349 Energy: 1.145735870881912 Energy: 1.1597681724340676 Energy: 1.1430806016956736 Energy: 0.9203620356634485 Energy: 1.2718990899345841 Energy: 0.9989310417129861 Energy: 1.178361895115615 Energy: 1.2022911101526812 Energy: 1.2852842553605734 Energy: 1.2819876246216098 Energy: 1.1315182518997682 Energy: 1.1320945465529912 Energy: 1.110263375948678 Energy: 1.3032001923001666 Energy: 1.1710861032524262 Energy: 1.1453395108212765 Energy: 1.3170291914447612 Energy: 0.919667272160424 Energy: 1.2054710196457916 Energy: 0.9384579802743637 Energy: 1.2438935435595693 Energy: 0.9719895989131295 Energy: 1.08101183364194 Energy: 1.167168754233824 Energy: 1.1203422478771523 Energy: 1.388941096959473 Energy: 1.0574671988225481 Energy: 1.2727158429741678 Energy: 1.101573215058535 Energy: 1.1949539793909256 Energy: 1.1754217636470643 Energy: 1.0919672767133557 Energy: 1.1728391821387243 Energy: 1.1424040797321278 Energy: 1.240404892615848 Energy: 1.1791039712105542 Energy: 1.2101019765229928 Energy: 1.2934751704993497 Energy: 1.1506496646594315 Energy: 1.2718091670693805 Energy: 1.2633970117630584 Energy: 1.1494350133656388 Energy: 1.18321815282179 Energy: 1.1134756816263565 Energy: 1.3082457262307583 Energy: 1.183194939049251 Energy: 1.2897419547412334 Energy: 1.1974187589338243 Energy: 1.3075785537814912 Energy: 1.3599466448017707 Energy: 1.309403683095668 Energy: 1.2938136816496482 Energy: 1.2044911980285629 Energy: 1.3860605801949408 Energy: 1.136840218155448 Energy: 1.3099996315159173 Energy: 1.2118126773289888 Energy: 1.1726769027763497 Energy: 1.1799468899505354 Energy: 1.1606863243501928 Energy: 1.4878385478638945 Energy: 1.1534386908636585 Energy: 1.3557887958213695 Energy: 1.165398884186311 Energy: 1.2464726327055717 Energy: 1.1727905557439873 Energy: 1.2259125375248139 Energy: 1.2722863156662167 Energy: 1.2557453105396337 Energy: 1.3966087831294391 Energy: 1.2750715671494097 Energy: 1.190730780794613 Energy: 1.3197039605272525 Energy: 1.2679196424163575 minimum gb energy = 0.7495888756713716 eV minimum distance = 2.21415913594175 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.0494842937189266 Energy: 1.2448464098165146 Energy: 0.8158475542767945 Energy: 0.8157061858575196 Energy: 0.8011542717523378 Energy: 0.8956585721311936 Energy: 0.8601121558496746 Energy: 1.0669075554421634 Energy: 1.1497593565870892 Energy: 0.8836956305204793 Energy: 0.9911877818350803 Energy: 0.9278409281523666 Energy: 0.8249068502399082 Energy: 1.1534433671375508 Energy: 1.0621077768129046 Energy: 1.1503557008844318 Energy: 0.8226779158062019 Energy: 0.8737876662334926 Energy: 0.8100719677252012 Energy: 0.833055388077431 Energy: 0.9889783099853046 Energy: 1.0393545278754257 Energy: 1.117609317705742 Energy: 0.8317346788931035 Energy: 0.8741117887679591 Energy: 0.8384938029191886 Energy: 0.9139855033684073 Energy: 0.9129175216154497 Energy: 1.1080059056594684 Energy: 1.1543155272402135 Energy: 1.1173015513222337 Energy: 1.0744525327125571 Energy: 1.0082044058494186 Energy: 1.1151678792770991 Energy: 1.180599604210625 Energy: 0.8747240105744913 Energy: 1.1386782665981525 Energy: 0.8364988254286164 Energy: 0.7983772597711921 Energy: 0.8268465689037998 Energy: 0.8118640433110129 Energy: 0.8561474641595275 Energy: 1.0750144427220463 Energy: 1.1479451006269161 Energy: 0.8245795412260638 Energy: 0.8985040072787527 Energy: 0.9211176588073052 Energy: 0.8265852873011637 Energy: 1.1555942810934738 Energy: 1.0784835554120042 Energy: 1.1458516009773974 Energy: 0.8164850082997958 Energy: 0.9016873571737921 Energy: 0.9161499986046506 Energy: 0.8324526302380649 Energy: 1.1519240556534918 Energy: 1.0761380850749052 Energy: 1.1598226120259705 Energy: 0.815496872344037 Energy: 0.8034814976964754 Energy: 0.8044681909558224 Energy: 0.8381504049920736 Energy: 0.8511631745285728 Energy: 1.1311230219739625 Energy: 1.155032548118345 Energy: 1.100575233101657 Energy: 1.0674598596886191 Energy: 1.0589896338972118 Energy: 1.0940596018199022 Energy: 1.1304369689540679 Energy: 1.0615233189250048 Energy: 1.1261538397333624 Energy: 0.8273124742309571 Energy: 0.8223608714427506 Energy: 0.8087497471120773 Energy: 0.824828636746799 Energy: 0.9609878248348919 Energy: 1.0350333023997345 Energy: 1.1389250734153304 Energy: 0.8190063680700536 Energy: 0.900727723685347 Energy: 0.8997902351332536 Energy: 0.822551949247463 Energy: 1.1540776751658381 Energy: 1.0577107242101809 Energy: 1.145982306104483 Energy: 0.8246102107740307 Energy: 0.914245910681319 Energy: 0.9015164822262426 Energy: 0.8233851268999346 Energy: 1.1546582347765622 Energy: 1.0328987878697005 Energy: 1.152611261758395 Energy: 0.8222256245322589 Energy: 0.8004108516740911 Energy: 0.8326137163063555 Energy: 0.838853939076822 Energy: 0.8249378085273075 Energy: 1.1114348104990481 Energy: 1.156928450991766 Energy: 1.0770359732895243 Energy: 1.0070342315872793 Energy: 0.9200882865339264 Energy: 1.0580553471610397 Energy: 1.14697965243878 Energy: 1.0753187971732105 Energy: 1.1285312043433915 Energy: 0.8292844005964095 Energy: 0.8872056932238181 Energy: 0.7962581400267293 Energy: 0.8224977456106782 Energy: 0.9889318295023546 Energy: 1.0303746975137194 Energy: 1.1629456460898429 Energy: 0.8255379184283619 Energy: 0.8368237828363337 Energy: 0.8092286973816485 Energy: 0.8199490210806791 Energy: 0.8967534519521582 Energy: 1.1235027520135912 Energy: 1.1506716051022154 Energy: 0.8672131733736554 Energy: 0.9134520036470284 Energy: 1.0071883052487232 Energy: 0.8552819590455499 Energy: 1.14956600169571 Energy: 1.0285281539102518 Energy: 1.1500873524426423 Energy: 0.8250376749869472 Energy: 0.7983929902676947 Energy: 0.7959710003677657 Energy: 0.8135111801285672 Energy: 0.8668158855364746 Energy: 1.05877334134028 Energy: 1.1492736672752726 Energy: 0.9025073198100538 Energy: 0.9877717434314834 Energy: 0.9225281827532109 Energy: 0.8228819117161761 Energy: 1.1542689882777009 minimum gb energy = 0.7959710003677657 eV minimum distance = 2.23205535120177 Angstroms sigma value = 23