model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.050000071525574 cohesive_energy=3.360264249995487 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.01032620858718666 Energy: 0.12506613369566086 Energy: 0.12506613360823815 Energy: 0.010326208587686377 Energy: 0.10733497396168855 Energy: 0.10733497396071688 Energy: 0.01032620858865805 Energy: 0.10733497396071688 Energy: 0.10733497408720075 Energy: 0.1250661336595147 Energy: 0.010326208587686377 Energy: 0.01032620858718666 Energy: 0.12506613361068125 Energy: 0.010326208588186093 Energy: 0.01032620858718666 Energy: 0.010326208587686377 Energy: 0.010326208590629153 Energy: 0.010326208590129437 Energy: 0.1250661336463277 Energy: 0.010326208587686377 Energy: 0.01032620858718666 Energy: 0.1250661336087379 Energy: 0.010326208588186093 Energy: 0.01032620858865805 Energy: 0.01032620858865805 Energy: 0.10733497396168855 Energy: 0.1073349739699894 Energy: 0.010326208585743032 Energy: 0.10733497396021716 Energy: 0.10733497399294863 minimum gb energy = 0.010326208585743032 eV minimum distance = 2.70098127981656 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.24353893540578045 Energy: 0.22859446268377898 Energy: 0.2286039897632649 Energy: 0.2278961053979854 Energy: 0.22626216999151474 Energy: 0.2262533617362152 Energy: 0.23250926065046557 Energy: 0.21937859480232214 Energy: 0.2193785934125077 Energy: 0.22952518662726923 Energy: 0.21812259552710955 Energy: 0.2181300259017006 Energy: 0.23622148931331635 Energy: 0.2237594934962507 Energy: 0.2237595800756002 Energy: 0.2532838373912688 Energy: 0.23418483766184586 Energy: 0.2341831311360438 Energy: 0.22670683407675346 Energy: 0.22808541426996104 Energy: 0.22808508438157793 Energy: 0.23224526647717952 Energy: 0.2166227800644855 Energy: 0.2166227385756128 Energy: 0.24155078820527195 Energy: 0.21758270144441968 Energy: 0.2175826479712082 Energy: 0.23174243185859836 Energy: 0.22121927128327623 Energy: 0.22121577536765413 minimum gb energy = 0.2166227385756128 eV minimum distance = 2.58944224720852 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.24771766058896164 Energy: 0.2344047187807143 Energy: 0.2344067879685877 Energy: 0.2650883631705267 Energy: 0.23499892080713963 Energy: 0.2349987541354332 Energy: 0.23103427862355178 Energy: 0.2247006180343694 Energy: 0.22469718720198265 Energy: 0.2300678338613371 Energy: 0.23608283027241173 Energy: 0.23608210010041858 Energy: 0.24513852001864705 Energy: 0.2338399049193294 Energy: 0.23385428923391316 Energy: 0.24145788713713967 Energy: 0.23588964474481933 Energy: 0.23589055200979278 Energy: 0.2524627324597136 Energy: 0.23470047881568515 Energy: 0.23470082834510766 Energy: 0.23386713637210724 Energy: 0.23613893902887528 Energy: 0.23609067189213634 Energy: 0.22782476355803982 Energy: 0.23250277051073412 Energy: 0.23250496249933134 Energy: 0.2402097186752693 Energy: 0.22780702508232403 Energy: 0.2278069576518627 minimum gb energy = 0.22469718720198265 eV minimum distance = 2.58790434671607 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.2505568382650743 Energy: 0.23614208861100025 Energy: 0.23614184877220418 Energy: 0.24486411370129726 Energy: 0.23285279368986486 Energy: 0.23283541712620387 Energy: 0.23622478619382226 Energy: 0.22340730586228527 Energy: 0.22340736154126026 Energy: 0.2366857308679643 Energy: 0.23121196998822865 Energy: 0.23121198213439953 Energy: 0.23728375703432572 Energy: 0.24022119352498686 Energy: 0.24022298314843943 Energy: 0.2615249903802337 Energy: 0.2383810639458799 Energy: 0.23837963801072595 Energy: 0.2345342823965406 Energy: 0.23691477086783505 Energy: 0.23691502367690756 Energy: 0.23969346266764152 Energy: 0.22413903666750026 Energy: 0.2241390353815345 Energy: 0.24260144023516275 Energy: 0.23691512479152216 Energy: 0.236915139233912 Energy: 0.23909038334203855 Energy: 0.22600505398854914 Energy: 0.22600591478299445 minimum gb energy = 0.22340730586228527 eV minimum distance = 2.58893557280925 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.25510754624490284 Energy: 0.24092596506465547 Energy: 0.2409600954480346 Energy: 0.24118673878449656 Energy: 0.22579386347076305 Energy: 0.22579378033860154 Energy: 0.2738964711118023 Energy: 0.23759492174760796 Energy: 0.23759486600898996 Energy: 0.23649327879833595 Energy: 0.23046671147413628 Energy: 0.2304661383397579 Energy: 0.24658042198127175 Energy: 0.2279263616555426 Energy: 0.22792634127625272 Energy: 0.24816660851955694 Energy: 0.24292270173407046 Energy: 0.242922333749154 Energy: 0.24613715768446562 Energy: 0.22792663493032841 Energy: 0.2279265462630746 Energy: 0.24111621870796862 Energy: 0.23046667606856877 Energy: 0.23046650945461936 Energy: 0.24130774381356018 Energy: 0.22963649246362453 Energy: 0.22963650143771117 Energy: 0.24737050142385075 Energy: 0.2279436789621739 Energy: 0.22794371868242463 minimum gb energy = 0.22579378033860154 eV minimum distance = 2.5885621887893 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.2581930222593397 Energy: 0.24509940891217166 Energy: 0.2450990520540878 Energy: 0.25483774279333005 Energy: 0.2340607022005857 Energy: 0.23405765515241955 Energy: 0.26368955890956863 Energy: 0.24293346576621133 Energy: 0.2429359318426806 Energy: 0.24542445973997665 Energy: 0.23816121568073764 Energy: 0.23816113645897416 Energy: 0.24525922500472064 Energy: 0.2324246529647497 Energy: 0.232424650960378 Energy: 0.2699191676673544 Energy: 0.24312742580833954 Energy: 0.24311633018579532 Energy: 0.24526166871127855 Energy: 0.23983204220885082 Energy: 0.2398320398790568 Energy: 0.24714504467354578 Energy: 0.23319689468800575 Energy: 0.2331968719714182 Energy: 0.26049697332485755 Energy: 0.2429347530056763 Energy: 0.24293868250421477 Energy: 0.24526169837262923 Energy: 0.23404822662879646 Energy: 0.23404864724633667 minimum gb energy = 0.232424650960378 eV minimum distance = 2.57688313798375 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.26494248913556606 Energy: 0.24835067340456882 Energy: 0.24841588220841868 Energy: 0.24878261854378309 Energy: 0.24061181799970802 Energy: 0.24061180415440359 Energy: 0.24783362800280478 Energy: 0.2348659136493192 Energy: 0.23486598640991296 Energy: 0.2436584268288033 Energy: 0.23402035091733195 Energy: 0.2340203496591461 Energy: 0.2478336280742522 Energy: 0.2485190972842164 Energy: 0.24816213134701667 Energy: 0.25528125808380736 Energy: 0.24447015690839316 Energy: 0.2444701537811715 Energy: 0.2503228614367932 Energy: 0.2505578744768134 Energy: 0.2505501882814556 Energy: 0.270720932824169 Energy: 0.24047751516619617 Energy: 0.24047751862678748 Energy: 0.24783364298481458 Energy: 0.2355465355527829 Energy: 0.23557041957027683 Energy: 0.24783371537703325 Energy: 0.24061178678676218 Energy: 0.2406118111081607 minimum gb energy = 0.2340203496591461 eV minimum distance = 2.57942823410505 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.27159445159511975 Energy: 0.257808923391696 Energy: 0.2578078881935848 Energy: 0.263066999777425 Energy: 0.2578105047158093 Energy: 0.2578075620474718 Energy: 0.2762410491723974 Energy: 0.2550419388352008 Energy: 0.255042099704802 Energy: 0.2980676682466884 Energy: 0.255041986659746 Energy: 0.2550420472030649 Energy: 0.2798511675816875 Energy: 0.2550421455256843 Energy: 0.2550420340895137 Energy: 0.286967424871021 Energy: 0.25504196371398685 Energy: 0.25504191040326957 Energy: 0.3080342959193251 Energy: 0.2550424347505787 Energy: 0.2550420275553759 Energy: 0.27624102192161043 Energy: 0.24927821108588447 Energy: 0.249278247096142 Energy: 0.2613599664314057 Energy: 0.2595214985010161 Energy: 0.2595212741314338 Energy: 0.2617846369888687 Energy: 0.24952596076864325 Energy: 0.2495258591134694 minimum gb energy = 0.24927821108588447 eV minimum distance = 2.58777108183118 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.27818718222198535 Energy: 0.2618338750645393 Energy: 0.2618336138893692 Energy: 0.26339307134326834 Energy: 0.27877286750454355 Energy: 0.278773061105023 Energy: 0.26384815360163116 Energy: 0.2516070054162014 Energy: 0.2516072987982524 Energy: 0.26493780743256995 Energy: 0.25267971736791844 Energy: 0.2526796344790967 Energy: 0.26765343084374976 Energy: 0.26434844997425117 Energy: 0.2643475516838029 Energy: 0.2676007967156452 Energy: 0.2643488887875731 Energy: 0.26434830407891236 Energy: 0.264937875861431 Energy: 0.26434927020209026 Energy: 0.26434829756193434 Energy: 0.2649385336731301 Energy: 0.2516072519339216 Energy: 0.25160703742135065 Energy: 0.26539553736547405 Energy: 0.2722845330225831 Energy: 0.2722845474049972 Energy: 0.2754976547271985 Energy: 0.2656489511270539 Energy: 0.2656489226051411 minimum gb energy = 0.2516070054162014 eV minimum distance = 2.54527739547841 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.2838837628434586 Energy: 0.2722679904270411 Energy: 0.2722675461827903 Energy: 0.2662647372493224 Energy: 0.25684519740111994 Energy: 0.2568451944409499 Energy: 0.2684179168974011 Energy: 0.26728322563638485 Energy: 0.26728324044759694 Energy: 0.3118281328287055 Energy: 0.2623499472619729 Energy: 0.2623500441234977 Energy: 0.27580612762210593 Energy: 0.25552370627490734 Energy: 0.2555235977453277 Energy: 0.2997000700438607 Energy: 0.27585350034141704 Energy: 0.2758562199283659 Energy: 0.3001149000121166 Energy: 0.262350420161728 Energy: 0.2623501369020385 Energy: 0.2823848962011819 Energy: 0.2571145210544643 Energy: 0.25711455514974 Energy: 0.2970973007828355 Energy: 0.26788601451016986 Energy: 0.2679028331524028 Energy: 0.27238733039174384 Energy: 0.2590375268329655 Energy: 0.25903785122753314 minimum gb energy = 0.2555235977453277 eV minimum distance = 2.57329847941278 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.2768015895472196 Energy: 0.26937822349885787 Energy: 0.26937834709041375 Energy: 0.2687404597832253 Energy: 0.2653831763363284 Energy: 0.2653836349570665 Energy: 0.2847469838382884 Energy: 0.2575768987068153 Energy: 0.25757685877499026 Energy: 0.278698868363045 Energy: 0.25284599375338906 Energy: 0.25284584028445944 Energy: 0.27359431293423675 Energy: 0.25522103011967157 Energy: 0.25522139915797776 Energy: 0.2864771392983081 Energy: 0.26097133507281733 Energy: 0.26097133557492425 Energy: 0.28266511379343306 Energy: 0.2591039220196885 Energy: 0.25910392235950436 Energy: 0.3068660118171616 Energy: 0.26097133477512124 Energy: 0.26097133652326127 Energy: 0.28474698906615586 Energy: 0.25757688132824863 Energy: 0.2575767873523024 Energy: 0.2687404493709921 Energy: 0.25854002960428735 Energy: 0.25853964250018185 minimum gb energy = 0.25284584028445944 eV minimum distance = 2.57641350861523 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.2868621172693575 Energy: 0.27657445721197405 Energy: 0.27657459113552246 Energy: 0.2985730159993821 Energy: 0.27488414258428784 Energy: 0.2748823370339561 Energy: 0.28955235364473014 Energy: 0.2682030724513658 Energy: 0.2682037668381277 Energy: 0.2845863664668401 Energy: 0.27846347976913255 Energy: 0.27846013810005 Energy: 0.2780973664168494 Energy: 0.27281696099625435 Energy: 0.27281673167355025 Energy: 0.3020918310401146 Energy: 0.27018875093888817 Energy: 0.27018798230153307 Energy: 0.2863352766565645 Energy: 0.27065239650488687 Energy: 0.27065258432402517 Energy: 0.2735967629542011 Energy: 0.27023285646119516 Energy: 0.27023224704658444 Energy: 0.272933238602719 Energy: 0.26159780300107727 Energy: 0.2615995675781208 Energy: 0.2829370350400063 Energy: 0.2643053987682351 Energy: 0.26430621502251267 minimum gb energy = 0.26159780300107727 eV minimum distance = 2.57244554725577 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.29311370613103693 Energy: 0.2646899521212823 Energy: 0.2646901045116355 Energy: 0.284060368689997 Energy: 0.2770582315258133 Energy: 0.27705846346510876 Energy: 0.31510423883733457 Energy: 0.27895715499699936 Energy: 0.2789593511599314 Energy: 0.3154499908160728 Energy: 0.26469019337600863 Energy: 0.2646899592849087 Energy: 0.27279433071395254 Energy: 0.2598145406962078 Energy: 0.2598145141622339 Energy: 0.27625070083251685 Energy: 0.286089459101745 Energy: 0.28608937202304807 Energy: 0.2792086225370037 Energy: 0.2598145199946176 Energy: 0.2598145099870574 Energy: 0.2882415200554671 Energy: 0.26319275831356426 Energy: 0.2631927299071789 Energy: 0.3380291324532157 Energy: 0.278877994704691 Energy: 0.27887514491071896 Energy: 0.27287232572959097 Energy: 0.2650893182089795 Energy: 0.26508931838321675 minimum gb energy = 0.2598145099870574 eV minimum distance = 2.57241594857881 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.29755404847880323 Energy: 0.2838259553209234 Energy: 0.28382584378895614 Energy: 0.2997546818009389 Energy: 0.2700269232409855 Energy: 0.27002662206374817 Energy: 0.29289802117344427 Energy: 0.27874339612289406 Energy: 0.2787433657712313 Energy: 0.28735032159753365 Energy: 0.2748360019278134 Energy: 0.27483591445665206 Energy: 0.28345801467305354 Energy: 0.27874334544667567 Energy: 0.27874339285231675 Energy: 0.2815705721530094 Energy: 0.2815773770648706 Energy: 0.2815727698075396 Energy: 0.27609958221483644 Energy: 0.27935189634327545 Energy: 0.27935657313711865 Energy: 0.3284815533796903 Energy: 0.2775059629148982 Energy: 0.2775058420731256 Energy: 0.27773008696133916 Energy: 0.27029078997560735 Energy: 0.2702910964861535 Energy: 0.332997433517592 Energy: 0.2808081218197411 Energy: 0.28080821591680055 minimum gb energy = 0.27002662206374817 eV minimum distance = 2.55561896270322 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.27556019449110913 Energy: 0.27950477832345016 Energy: 0.2795049915699563 Energy: 0.293758090613604 Energy: 0.26246181011122177 Energy: 0.2624618660757604 Energy: 0.2760739012438234 Energy: 0.27274829625029007 Energy: 0.2727482950874791 Energy: 0.28627090997463683 Energy: 0.2878680100060181 Energy: 0.2878681500107937 Energy: 0.27792157562551567 Energy: 0.2636946990523602 Energy: 0.2636946991414336 Energy: 0.28382061848722345 Energy: 0.2698708171015951 Energy: 0.26987082414636515 Energy: 0.29455594838918037 Energy: 0.26987081654317674 Energy: 0.26987118273462485 Energy: 0.2942574035487634 Energy: 0.2793582648753683 Energy: 0.27935827117497064 Energy: 0.29192960702509074 Energy: 0.2636947048634527 Energy: 0.2636946829762654 Energy: 0.291927901148866 Energy: 0.2636947070348402 Energy: 0.26369470060210687 minimum gb energy = 0.26246181011122177 eV minimum distance = 2.5826302664883 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.29943338717880463 Energy: 0.27634643525225505 Energy: 0.27634645668828006 Energy: 0.2861615354816665 Energy: 0.29484671973078835 Energy: 0.29484672458104366 Energy: 0.28745841636101893 Energy: 0.29256886748231514 Energy: 0.29256928140655886 Energy: 0.2882766807823797 Energy: 0.28373713887562874 Energy: 0.2837371869925874 Energy: 0.28616185832922825 Energy: 0.28761351573868144 Energy: 0.2876047106829588 Energy: 0.2879174097562165 Energy: 0.2949241611855085 Energy: 0.2949241871763806 Energy: 0.28863489079484367 Energy: 0.2835394180307254 Energy: 0.28353945925659246 Energy: 0.29267288083058274 Energy: 0.2853345959656756 Energy: 0.28533486088253135 Energy: 0.2845264353169188 Energy: 0.28299385453562104 Energy: 0.2829937767878031 Energy: 0.2968117290198639 Energy: 0.27936916305630566 Energy: 0.2793691678526727 minimum gb energy = 0.27634643525225505 eV minimum distance = 2.55978170297276 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.29967806955569937 Energy: 0.27987293315073336 Energy: 0.27987310460337644 Energy: 0.31505893759469134 Energy: 0.28222242930707403 Energy: 0.2822224302097644 Energy: 0.295588940981104 Energy: 0.28798834041734 Energy: 0.2879885671789473 Energy: 0.28679178861905646 Energy: 0.30293887569569006 Energy: 0.30293857546358083 Energy: 0.29001727203965944 Energy: 0.29203254468054946 Energy: 0.29203297732191735 Energy: 0.31612738808593077 Energy: 0.2866077481298327 Energy: 0.2866077523030896 Energy: 0.29311128730274033 Energy: 0.2958028098602649 Energy: 0.2958051017126795 Energy: 0.2956669947579641 Energy: 0.28738873608695475 Energy: 0.28777921410370777 Energy: 0.31068060908971945 Energy: 0.288214084710472 Energy: 0.28709959318631983 Energy: 0.29216447063176915 Energy: 0.2788523237225949 Energy: 0.278852367993933 minimum gb energy = 0.2788523237225949 eV minimum distance = 2.56237617851406 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.30139899103692075 Energy: 0.279817237152254 Energy: 0.2798175244658736 Energy: 0.28228782039211714 Energy: 0.2842950293590014 Energy: 0.2841196305489036 Energy: 0.28228781013271187 Energy: 0.2788272795705661 Energy: 0.2788268077445987 Energy: 0.2818747194492115 Energy: 0.2886461665832607 Energy: 0.2886453739192314 Energy: 0.2900828114424727 Energy: 0.28872968740371835 Energy: 0.2887295951246718 Energy: 0.29860018527952337 Energy: 0.3003911705428785 Energy: 0.30039085306714225 Energy: 0.31006422435436837 Energy: 0.28222092129141574 Energy: 0.28222800502123496 Energy: 0.32303751696675476 Energy: 0.2832226935648561 Energy: 0.2832228552861683 Energy: 0.32030563436289033 Energy: 0.2867050537293198 Energy: 0.28671004934318295 Energy: 0.287313990855729 Energy: 0.28936434953570855 Energy: 0.2893573771368948 minimum gb energy = 0.2788268077445987 eV minimum distance = 2.53434178460314 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.28529848907482763 Energy: 0.2755937318611591 Energy: 0.27559383608693905 Energy: 0.32667083492076804 Energy: 0.27005641346274045 Energy: 0.27005641746171904 Energy: 0.34963465721496906 Energy: 0.2760216976900451 Energy: 0.2760216958244135 Energy: 0.2681221599003447 Energy: 0.27897845729250464 Energy: 0.2789803807449975 Energy: 0.29399548389915253 Energy: 0.27602171872259107 Energy: 0.2760217186148046 Energy: 0.27005641484034354 Energy: 0.2878144730200787 Energy: 0.2878137825019085 Energy: 0.32344489644444163 Energy: 0.275593691309898 Energy: 0.27559389083007896 Energy: 0.2700564137197903 Energy: 0.2883498112993519 Energy: 0.2883467618651082 Energy: 0.2851609239423158 Energy: 0.27602172145412307 Energy: 0.2760217164530432 Energy: 0.27207187155077434 Energy: 0.2676164741568339 Energy: 0.2676156639997486 minimum gb energy = 0.2676156639997486 eV minimum distance = 2.59698477301917 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.31089547893160024 Energy: 0.2973318482404032 Energy: 0.29733171895717336 Energy: 0.2804339172081635 Energy: 0.29863631580193667 Energy: 0.298635007562557 Energy: 0.2922733973300689 Energy: 0.2944238142068828 Energy: 0.2944254811986528 Energy: 0.2989977036689397 Energy: 0.29830070162077355 Energy: 0.298298964419391 Energy: 0.2918990209731656 Energy: 0.29551331213048165 Energy: 0.2955135500571203 Energy: 0.2977134256779913 Energy: 0.29513655349227236 Energy: 0.2951362180047712 Energy: 0.29483328587275176 Energy: 0.2963077420196236 Energy: 0.29630774217945566 Energy: 0.27992036885270855 Energy: 0.29817188762033364 Energy: 0.29817811788789744 Energy: 0.2989401912341924 Energy: 0.29202981848926046 Energy: 0.29202983207412514 Energy: 0.28845642030209445 Energy: 0.29825431506696926 Energy: 0.29825515852082507 minimum gb energy = 0.27992036885270855 eV minimum distance = 2.56103689929997 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.3067341382513555 Energy: 0.29708943264778703 Energy: 0.2970898894564779 Energy: 0.2765839956091408 Energy: 0.2965839527250276 Energy: 0.2965840183534989 Energy: 0.2925276740350342 Energy: 0.2959330824247942 Energy: 0.29594122969151493 Energy: 0.28574239103517507 Energy: 0.2965358842746879 Energy: 0.2965355261802724 Energy: 0.2958872101085559 Energy: 0.28972512778171927 Energy: 0.28972517765158684 Energy: 0.3013104426260478 Energy: 0.29746826535817195 Energy: 0.29746639740733355 Energy: 0.2810838001906673 Energy: 0.2965290208279969 Energy: 0.2965181239060211 Energy: 0.2856739900525465 Energy: 0.2951612906405301 Energy: 0.2951612907921557 Energy: 0.2856336405178753 Energy: 0.2914598422042791 Energy: 0.2914411942421846 Energy: 0.31077131868341346 Energy: 0.2935746068999764 Energy: 0.29356739051877695 minimum gb energy = 0.2765839956091408 eV minimum distance = 2.53953920709671 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.29171276354360537 Energy: 0.30210360195845903 Energy: 0.302103632793296 Energy: 0.27454176205255015 Energy: 0.3014996952943897 Energy: 0.3014993185549521 Energy: 0.27162663048639574 Energy: 0.28823894501874503 Energy: 0.2882389851074468 Energy: 0.2951733832857993 Energy: 0.2745107728645332 Energy: 0.274511966952247 Energy: 0.31228553226400585 Energy: 0.2941770069625031 Energy: 0.29416056522647577 Energy: 0.3046719908832387 Energy: 0.30914914796134063 Energy: 0.30915214599816765 Energy: 0.27162641581987423 Energy: 0.28823929443061513 Energy: 0.28823880591143497 Energy: 0.2961969148592506 Energy: 0.2885219912482329 Energy: 0.28851819866234885 Energy: 0.29171276499736876 Energy: 0.3000349342101846 Energy: 0.30003511196921206 Energy: 0.2726441529606521 Energy: 0.2952328906756135 Energy: 0.2952335616907475 minimum gb energy = 0.27162641581987423 eV minimum distance = 2.58412560965837 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.2890112546498581 Energy: 0.2828742173867608 Energy: 0.27859156142631236 Energy: 0.28841205273236736 Energy: 0.2915888811282191 Energy: 0.2915972257099564 Energy: 0.27466544653406605 Energy: 0.29118844223355894 Energy: 0.2911867331817582 Energy: 0.2648326783136408 Energy: 0.28792698920858284 Energy: 0.2879078799680719 Energy: 0.3463263265821572 Energy: 0.29689792511684426 Energy: 0.2968976443283289 Energy: 0.2644059381293006 Energy: 0.2879089298944355 Energy: 0.2879153161219406 Energy: 0.2856883755508019 Energy: 0.27966838802475136 Energy: 0.27949728031719034 Energy: 0.27992334979755484 Energy: 0.2915839289450573 Energy: 0.29163594101263407 Energy: 0.28900269224705083 Energy: 0.27101636083077474 Energy: 0.271019472253739 Energy: 0.3029921967252218 Energy: 0.2830647393813441 Energy: 0.2830652580673823 minimum gb energy = 0.2644059381293006 eV minimum distance = 2.56951373007721 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.3008629254347155 Energy: 0.2982649185162902 Energy: 0.2982647849870002 Energy: 0.2798636479288506 Energy: 0.2831953915115944 Energy: 0.283195312281637 Energy: 0.2692332266947671 Energy: 0.2831950666821358 Energy: 0.28319543023389127 Energy: 0.27114065239840285 Energy: 0.28348589710655137 Energy: 0.28348544117730684 Energy: 0.38406437728179926 Energy: 0.29970361813216356 Energy: 0.29971685621492244 Energy: 0.27114078821177223 Energy: 0.28348540631361485 Energy: 0.2834854194780306 Energy: 0.26923312835378654 Energy: 0.28319550697974094 Energy: 0.28319550529352605 Energy: 0.279852115213698 Energy: 0.28319543320704804 Energy: 0.283194699556126 Energy: 0.3008627053719006 Energy: 0.2929872490760069 Energy: 0.2929728337652674 Energy: 0.27985396631265325 Energy: 0.28319531147012583 Energy: 0.28319552196537845 minimum gb energy = 0.26923312835378654 eV minimum distance = 2.55653099896574 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.23529457340668186 Energy: 0.23529457338814033 Energy: 0.2352945720769247 Energy: 0.2730116557823747 Energy: 0.2524181265580759 Energy: 0.25241792917547473 Energy: 0.2330699801504466 Energy: 0.2708794352374435 Energy: 0.2708794350721852 Energy: 0.26967581721473677 Energy: 0.25241796606597255 Energy: 0.25241793387673356 Energy: 0.23529457362443937 Energy: 0.2352945719363533 Energy: 0.23529457370629597 Energy: 0.27301165595535865 Energy: 0.25241792919398115 Energy: 0.2524179624025473 Energy: 0.23337776723699746 Energy: 0.2708794354413301 Energy: 0.270879435702316 Energy: 0.269675750084072 Energy: 0.2525991014749482 Energy: 0.25259906915444363 Energy: 0.235294572217461 Energy: 0.23529457193171793 Energy: 0.23529457327229095 Energy: 0.27301165932686033 Energy: 0.2526059645294412 Energy: 0.25260596304366134 minimum gb energy = 0.2330699801504466 eV minimum distance = 2.61384242016107 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.2996731037885445 Energy: 0.2765136443627258 Energy: 0.27651351903376287 Energy: 0.33643725421664755 Energy: 0.2823397431015604 Energy: 0.2823433751820628 Energy: 0.28913297668723204 Energy: 0.28478669780026006 Energy: 0.28478606668876866 Energy: 0.28820914719626706 Energy: 0.2757644334147138 Energy: 0.2757659731135508 Energy: 0.2809656561048692 Energy: 0.27916000126681945 Energy: 0.2791599779017816 Energy: 0.29006843266635585 Energy: 0.2821889876249283 Energy: 0.2821950603000276 Energy: 0.3440537698869967 Energy: 0.29453164263107545 Energy: 0.2945211838188167 Energy: 0.2963476574541034 Energy: 0.27786901254662877 Energy: 0.27786900445098073 Energy: 0.3258198255113249 Energy: 0.278654496366635 Energy: 0.27865162770031443 Energy: 0.29094004416061325 Energy: 0.2816738461653449 Energy: 0.28166499940674367 minimum gb energy = 0.2757644334147138 eV minimum distance = 2.55550475954581 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.3049851359267157 Energy: 0.2773087668820259 Energy: 0.2773113505079849 Energy: 0.2732952938667172 Energy: 0.27709396685051063 Energy: 0.2770930567454674 Energy: 0.26954925297298116 Energy: 0.2850780657772896 Energy: 0.28508923696729616 Energy: 0.26862904295418494 Energy: 0.2755498339183474 Energy: 0.27556650969153607 Energy: 0.28663705308301407 Energy: 0.27855007429345185 Energy: 0.2785541390436173 Energy: 0.3396289822341182 Energy: 0.27142717549443707 Energy: 0.2714209715642045 Energy: 0.3919720166761259 Energy: 0.27083898189255046 Energy: 0.2708396463642666 Energy: 0.3264428732073363 Energy: 0.26726253252096405 Energy: 0.26726256882211574 Energy: 0.3343964587593405 Energy: 0.2807482245637759 Energy: 0.2807482364170044 Energy: 0.3160527332615797 Energy: 0.28765764583382414 Energy: 0.28765713229152073 minimum gb energy = 0.26726253252096405 eV minimum distance = 2.56847593537891 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.2865566614541471 Energy: 0.282410834458721 Energy: 0.28243111474882054 Energy: 0.36326959126439445 Energy: 0.2792467808554099 Energy: 0.27924663308450864 Energy: 0.32297666602514685 Energy: 0.28239141263974143 Energy: 0.28242306338797557 Energy: 0.2783561467641913 Energy: 0.30080214603129013 Energy: 0.3008021556997037 Energy: 0.31846329441611154 Energy: 0.2828127810787641 Energy: 0.2828127899280678 Energy: 0.2783556737003112 Energy: 0.2878373034743689 Energy: 0.28783858753091346 Energy: 0.35157732813380693 Energy: 0.3096816882198615 Energy: 0.3096816927379762 Energy: 0.2802547203350249 Energy: 0.2952096031829978 Energy: 0.29520960319157596 Energy: 0.3437999348275301 Energy: 0.28570808082050325 Energy: 0.2857076252460015 Energy: 0.2804384468922105 Energy: 0.2857077293631611 Energy: 0.2857077375305013 minimum gb energy = 0.2783556737003112 eV minimum distance = 2.56847879266481 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.31360725466295103 Energy: 0.281883301433069 Energy: 0.281882504303962 Energy: 0.2980714114352662 Energy: 0.2922346499383152 Energy: 0.2922344667921293 Energy: 0.29792740525707995 Energy: 0.28802169268825234 Energy: 0.288021715203679 Energy: 0.28326897043050137 Energy: 0.2786943778304 Energy: 0.2786930569051874 Energy: 0.30701070308162587 Energy: 0.2911567411705608 Energy: 0.2911569681886744 Energy: 0.2843297602885972 Energy: 0.2800572617169302 Energy: 0.28005561341031376 Energy: 0.2789705835448375 Energy: 0.2848246638456359 Energy: 0.28482589214279536 Energy: 0.2955945727945242 Energy: 0.28169476725714326 Energy: 0.2816946548052789 Energy: 0.29333433349145144 Energy: 0.2800557187401765 Energy: 0.2800562966134505 Energy: 0.27897053896425594 Energy: 0.2895974336968048 Energy: 0.2895951378363176 minimum gb energy = 0.2786930569051874 eV minimum distance = 2.57459887657696 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.3010350072914168 Energy: 0.27966941291781694 Energy: 0.27966913579636654 Energy: 0.2783854877056243 Energy: 0.27377015234845875 Energy: 0.27377016091711515 Energy: 0.2874919804171314 Energy: 0.29195878926346674 Energy: 0.29195897645225705 Energy: 0.2820015711225315 Energy: 0.278949666661773 Energy: 0.2789497766593068 Energy: 0.3649276288832318 Energy: 0.26909883696361275 Energy: 0.26909885565718145 Energy: 0.3141179601491284 Energy: 0.2929803320239124 Energy: 0.2929803525304494 Energy: 0.3147383629485631 Energy: 0.27066910756402524 Energy: 0.27066909706543746 Energy: 0.3039417304622663 Energy: 0.2773091414121327 Energy: 0.2773110924185222 Energy: 0.30030601264770884 Energy: 0.29001863736189315 Energy: 0.2900260535619667 Energy: 0.2810886605354304 Energy: 0.28389822400632686 Energy: 0.2838983282539476 minimum gb energy = 0.26909883696361275 eV minimum distance = 2.5717394369236 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.3028736950976639 Energy: 0.27862461116445514 Energy: 0.2786246110446256 Energy: 0.2859548309917061 Energy: 0.28797790942705614 Energy: 0.2883198534851938 Energy: 0.3507196974365783 Energy: 0.28385652219503843 Energy: 0.2838565222021797 Energy: 0.2970324332386548 Energy: 0.2789213438808515 Energy: 0.278920996242007 Energy: 0.2883338436056789 Energy: 0.2939654341807437 Energy: 0.293969883997582 Energy: 0.2864040431897493 Energy: 0.27875864023153696 Energy: 0.27875861285136194 Energy: 0.3000093364443014 Energy: 0.28043163564746115 Energy: 0.28043164816614424 Energy: 0.38364365872080713 Energy: 0.2875004119055588 Energy: 0.28750049593130605 Energy: 0.2999027231677582 Energy: 0.2844871405922555 Energy: 0.28448713849440166 Energy: 0.2859954886146051 Energy: 0.28322094726084246 Energy: 0.28322061890908445 minimum gb energy = 0.2786246110446256 eV minimum distance = 2.57975721325342 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.30347999424891564 Energy: 0.2813614578474465 Energy: 0.28136141611716814 Energy: 0.3069653893278917 Energy: 0.28125180854790954 Energy: 0.28125151765948125 Energy: 0.3176023465906846 Energy: 0.29544497520626095 Energy: 0.2954425262297453 Energy: 0.2907752964003767 Energy: 0.3018784890144263 Energy: 0.3018785222719255 Energy: 0.30428443571875297 Energy: 0.28760392888086317 Energy: 0.2876036563456175 Energy: 0.3406824027455748 Energy: 0.2825334885161942 Energy: 0.28253619764842713 Energy: 0.28857402717227393 Energy: 0.28136129112122726 Energy: 0.28136138425702795 Energy: 0.28857411157493096 Energy: 0.2741278765326058 Energy: 0.2736375996263137 Energy: 0.3495712181575039 Energy: 0.29737739527249785 Energy: 0.297377341599373 Energy: 0.2907752704254111 Energy: 0.29353622972953997 Energy: 0.29353619649895796 minimum gb energy = 0.2736375996263137 eV minimum distance = 2.54887935844921 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.3177205311500871 Energy: 0.2912556318448797 Energy: 0.2912555912513312 Energy: 0.3034579040071295 Energy: 0.29233013248806367 Energy: 0.2923299180726665 Energy: 0.3293688478911206 Energy: 0.2718099131070531 Energy: 0.27180997234411075 Energy: 0.30232563466796286 Energy: 0.29597721149593137 Energy: 0.2959786718221596 Energy: 0.30094704406999145 Energy: 0.32947250753743024 Energy: 0.3294726499392157 Energy: 0.33581041449070625 Energy: 0.2853355168247366 Energy: 0.28533449744490236 Energy: 0.31042013000170227 Energy: 0.2768922874424356 Energy: 0.2768923526698447 Energy: 0.3010857835727213 Energy: 0.2865307880202604 Energy: 0.2865288795671181 Energy: 0.3170933958916102 Energy: 0.27283436667122013 Energy: 0.272834196722279 Energy: 0.349117832059292 Energy: 0.2720572272074444 Energy: 0.27205723474200677 minimum gb energy = 0.2718099131070531 eV minimum distance = 2.5759462203557 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.30416778402788774 Energy: 0.286186724176467 Energy: 0.2861874474797758 Energy: 0.298169470930056 Energy: 0.28611079557743635 Energy: 0.2862126290591337 Energy: 0.3070385901784563 Energy: 0.2770146616278057 Energy: 0.27701431033757856 Energy: 0.3019191677271175 Energy: 0.2870995893899717 Energy: 0.28709954499805546 Energy: 0.3575054722457545 Energy: 0.2676788451456923 Energy: 0.26767894029524564 Energy: 0.32016615778634905 Energy: 0.2689777478568514 Energy: 0.26897761931036845 Energy: 0.2979313043590319 Energy: 0.2864497669821957 Energy: 0.2864497669898789 Energy: 0.3000173775512999 Energy: 0.28378504251345715 Energy: 0.2837850079302108 Energy: 0.295417607479986 Energy: 0.2963303754161546 Energy: 0.2958716701400129 Energy: 0.29662967468664425 Energy: 0.2788141671677396 Energy: 0.2788138544404832 minimum gb energy = 0.2676788451456923 eV minimum distance = 2.57942647049744 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.3081401914902398 Energy: 0.2899121849321637 Energy: 0.2899114816635107 Energy: 0.3274854255313411 Energy: 0.28569353735494346 Energy: 0.28569481827240545 Energy: 0.29767680384914225 Energy: 0.28983621772653473 Energy: 0.2898362530682486 Energy: 0.3615858711497768 Energy: 0.2699666313566684 Energy: 0.2699660688453157 Energy: 0.3041492445387577 Energy: 0.2891045842675016 Energy: 0.28927447090516817 Energy: 0.3149297281700006 Energy: 0.27286968531219086 Energy: 0.2728684518352764 Energy: 0.29823633298344276 Energy: 0.27789505837427286 Energy: 0.27789446280322144 Energy: 0.30967782116868425 Energy: 0.2757153806048506 Energy: 0.2757147331973704 Energy: 0.3054483744327252 Energy: 0.2872912897945766 Energy: 0.2872912732323229 Energy: 0.3216983568433342 Energy: 0.27287067715676344 Energy: 0.2728689308699007 minimum gb energy = 0.2699660688453157 eV minimum distance = 2.57370464941073 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.3155908838937641 Energy: 0.28972380524210506 Energy: 0.2897250825541239 Energy: 0.3060262015599102 Energy: 0.2931606284763671 Energy: 0.2931610391470412 Energy: 0.30101795809147824 Energy: 0.29192260655352087 Energy: 0.29192438541110144 Energy: 0.30166037284538016 Energy: 0.2710874692254459 Energy: 0.27108634123748376 Energy: 0.3025296277100456 Energy: 0.2812424069145413 Energy: 0.2812405338928682 Energy: 0.3131046324580911 Energy: 0.2893429556525724 Energy: 0.28934295409911387 Energy: 0.33753160191520604 Energy: 0.2963900812373284 Energy: 0.2963895390612698 Energy: 0.34025020896249436 Energy: 0.2950789986269386 Energy: 0.2950762219516486 Energy: 0.31524865220291615 Energy: 0.29427285725570135 Energy: 0.2942737817147689 Energy: 0.32284992763544523 Energy: 0.2766236387097516 Energy: 0.27662401704205414 minimum gb energy = 0.27108634123748376 eV minimum distance = 2.57325221960198 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.3013226761400326 Energy: 0.2809726650752263 Energy: 0.2809726650748041 Energy: 0.28730024788898917 Energy: 0.2580300596052109 Energy: 0.2580159971751088 Energy: 0.31180935873892873 Energy: 0.2771547411842865 Energy: 0.277154741198912 Energy: 0.29705957144560546 Energy: 0.25718481994119546 Energy: 0.2571848199407485 Energy: 0.2933520780607079 Energy: 0.2627517012264176 Energy: 0.2627517011914802 Energy: 0.2970595651289889 Energy: 0.2580163623472014 Energy: 0.2580797157318692 Energy: 0.28730024789422853 Energy: 0.26275170119366537 Energy: 0.26275170121854613 Energy: 0.2970605512402393 Energy: 0.2626652612444998 Energy: 0.26266525811677094 Energy: 0.28596555750727826 Energy: 0.28888233719290607 Energy: 0.2888824501220911 Energy: 0.28602830586487255 Energy: 0.2627517011910333 Energy: 0.2627517013354014 minimum gb energy = 0.2571848199407485 eV minimum distance = 2.66619124236377 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.31442177759255396 Energy: 0.2949068336958355 Energy: 0.2949066342663231 Energy: 0.2984180013494227 Energy: 0.29225592445170057 Energy: 0.2922622106144777 Energy: 0.29004359653075074 Energy: 0.2909896067966103 Energy: 0.29099091691947854 Energy: 0.2937082172050023 Energy: 0.28556787778312687 Energy: 0.28556803101735573 Energy: 0.3291899191208098 Energy: 0.28634239976086817 Energy: 0.2863420917117115 Energy: 0.34751511050124445 Energy: 0.29040627514206246 Energy: 0.29040770205484645 Energy: 0.2935684305054956 Energy: 0.2921068111267464 Energy: 0.2921079298814943 Energy: 0.2870601412685175 Energy: 0.294042947201575 Energy: 0.29404687321656875 Energy: 0.29257739337182875 Energy: 0.3021505804138129 Energy: 0.30214756055293085 Energy: 0.30093095676659376 Energy: 0.30177201629236683 Energy: 0.3017735849951204 minimum gb energy = 0.28556787778312687 eV minimum distance = 2.57256878472246 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.3061537133924707 Energy: 0.2924105285768435 Energy: 0.2924208271145999 Energy: 0.2925701961089659 Energy: 0.2864265796393232 Energy: 0.2864252862928788 Energy: 0.32706121333023735 Energy: 0.28325252478010987 Energy: 0.28325129271085125 Energy: 0.2922425736757685 Energy: 0.30239829533072776 Energy: 0.30239641862059197 Energy: 0.29280119016170697 Energy: 0.29488189795003206 Energy: 0.2948811422666575 Energy: 0.30558385725187337 Energy: 0.3109815692030445 Energy: 0.3109829975499191 Energy: 0.2848742647309337 Energy: 0.29813981738992124 Energy: 0.2981400679318092 Energy: 0.28937384950111916 Energy: 0.2917401742045814 Energy: 0.2917516284149809 Energy: 0.30080047079516653 Energy: 0.291885204352961 Energy: 0.29188768177867036 Energy: 0.29984561060807896 Energy: 0.29171859943160855 Energy: 0.2917186135232908 minimum gb energy = 0.28325129271085125 eV minimum distance = 2.60768653686261 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.3074966221094353 Energy: 0.29116272405626653 Energy: 0.2911618291654941 Energy: 0.29333045893769166 Energy: 0.2882438151233537 Energy: 0.28824474123252564 Energy: 0.2982369659890452 Energy: 0.28219698517036723 Energy: 0.2821966721223034 Energy: 0.29382506318902124 Energy: 0.29424817950385046 Energy: 0.29424684477170415 Energy: 0.2929964272332741 Energy: 0.2956139924970248 Energy: 0.29561378125056353 Energy: 0.319883755324741 Energy: 0.28574944823280385 Energy: 0.2857499026940798 Energy: 0.28961844459538677 Energy: 0.29478396957564185 Energy: 0.2947871066485367 Energy: 0.28585953713396844 Energy: 0.2946500572153904 Energy: 0.2946497491062106 Energy: 0.30479600665322387 Energy: 0.2905734641301672 Energy: 0.29057580039112074 Energy: 0.2795112058273179 Energy: 0.29046017710049316 Energy: 0.2904598511810492 minimum gb energy = 0.2795112058273179 eV minimum distance = 2.58372903363152 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.29506784534491237 Energy: 0.2884604813209135 Energy: 0.28846048604565677 Energy: 0.2853126970633604 Energy: 0.2965098268068033 Energy: 0.2965096822663912 Energy: 0.27197538465497695 Energy: 0.2950759812474831 Energy: 0.29509638713876407 Energy: 0.28086468142425525 Energy: 0.2911910711129274 Energy: 0.29119102939672503 Energy: 0.3169271327462626 Energy: 0.2844912297208684 Energy: 0.28449293861370395 Energy: 0.33244200000702245 Energy: 0.2872996733475074 Energy: 0.2872996754318927 Energy: 0.3059768270044617 Energy: 0.2911816810479879 Energy: 0.2912509498717532 Energy: 0.273349775118491 Energy: 0.28449152264412336 Energy: 0.2844911533665506 Energy: 0.2808646813464669 Energy: 0.28646319816384763 Energy: 0.2864620045068966 Energy: 0.27955998014762845 Energy: 0.2887502734343767 Energy: 0.28874840060880635 minimum gb energy = 0.27197538465497695 eV minimum distance = 2.60950577827973 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.29348542913132086 Energy: 0.29080029635794175 Energy: 0.29080029637733534 Energy: 0.30391156230672134 Energy: 0.2822656273234233 Energy: 0.2822654262815766 Energy: 0.28231593491358276 Energy: 0.29365312571091584 Energy: 0.29365378271756193 Energy: 0.29265751856275707 Energy: 0.28218825174262674 Energy: 0.2821879728023825 Energy: 0.27123008105329866 Energy: 0.2808602058214676 Energy: 0.28086009499592796 Energy: 0.3055275195435625 Energy: 0.28516277329333095 Energy: 0.2851628704694447 Energy: 0.28184577764296403 Energy: 0.29541680921335645 Energy: 0.2954168086930087 Energy: 0.29151221191042687 Energy: 0.3019017163707256 Energy: 0.3018998297570996 Energy: 0.28218795506697725 Energy: 0.2936825575616493 Energy: 0.29368211176609693 Energy: 0.31402629662528625 Energy: 0.2820784448834051 Energy: 0.28207844103246227 minimum gb energy = 0.27123008105329866 eV minimum distance = 2.5495703618693 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.3085343277517679 Energy: 0.28841564550095344 Energy: 0.2884157766753851 Energy: 0.28995024419360177 Energy: 0.2884084920130947 Energy: 0.28840900062274705 Energy: 0.2681154308289616 Energy: 0.29210793241423005 Energy: 0.29211301837911846 Energy: 0.2808276515182173 Energy: 0.28742549021188013 Energy: 0.28742648964812173 Energy: 0.3057609933142983 Energy: 0.280779658236577 Energy: 0.28077965825240403 Energy: 0.26752186021938384 Energy: 0.2968377305561589 Energy: 0.2968371664782603 Energy: 0.3090204792521096 Energy: 0.28181006462182356 Energy: 0.2818097981734537 Energy: 0.26980024378692885 Energy: 0.2854501834766597 Energy: 0.28545098761315496 Energy: 0.2791918702576099 Energy: 0.28738013794013456 Energy: 0.2873801297232478 Energy: 0.29296438130549024 Energy: 0.28043983238097153 Energy: 0.28043985304991614 minimum gb energy = 0.26752186021938384 eV minimum distance = 2.55989986653562 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.2923481795873621 Energy: 0.2786301017577201 Energy: 0.27863010602691113 Energy: 0.26207083456825475 Energy: 0.2895250577648892 Energy: 0.2895958841890736 Energy: 0.26207083203873127 Energy: 0.24667901419916013 Energy: 0.24542649960752738 Energy: 0.24980169388396697 Energy: 0.24754126111042787 Energy: 0.250850479139916 Energy: 0.2922874760175556 Energy: 0.274579345563426 Energy: 0.27457938037871626 Energy: 0.2840443100330598 Energy: 0.24542143216433812 Energy: 0.2454214351738047 Energy: 0.2686838474634415 Energy: 0.24542144579696162 Energy: 0.24542143179161613 Energy: 0.29255743470907103 Energy: 0.2671371867860379 Energy: 0.26713718711520484 Energy: 0.2498016452325235 Energy: 0.31721994895795474 Energy: 0.3172197916986515 Energy: 0.2527051437279865 Energy: 0.2671371867022797 Energy: 0.26713718654900875 minimum gb energy = 0.24542143179161613 eV minimum distance = 2.59476711464496 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.3020816972299499 Energy: 0.283729112089585 Energy: 0.2837296681107577 Energy: 0.2628621053495637 Energy: 0.2886190352916921 Energy: 0.28861816526159334 Energy: 0.2801346908867328 Energy: 0.2915001584564293 Energy: 0.29149619999527177 Energy: 0.3099035694973216 Energy: 0.29196077910187895 Energy: 0.2919607810990432 Energy: 0.30262574330887493 Energy: 0.2735782714587127 Energy: 0.27357783277390196 Energy: 0.2917630779381161 Energy: 0.2995617455197264 Energy: 0.2995618444402498 Energy: 0.29563602982809367 Energy: 0.27730554312859845 Energy: 0.2773048064644395 Energy: 0.2588244670385283 Energy: 0.2850454172204863 Energy: 0.28504543648261216 Energy: 0.26078743508977303 Energy: 0.28827542907907217 Energy: 0.2882754278401965 Energy: 0.25894149854268794 Energy: 0.29071214316771565 Energy: 0.2907130622397195 minimum gb energy = 0.2588244670385283 eV minimum distance = 2.6036715200998 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.3024849562823009 Energy: 0.28157947345832707 Energy: 0.28157927017238027 Energy: 0.2782615937972116 Energy: 0.30190986343186244 Energy: 0.30190863724721806 Energy: 0.2819730646763738 Energy: 0.2795310234812351 Energy: 0.27953110029202566 Energy: 0.28485247131381275 Energy: 0.27695288832738907 Energy: 0.27695283308230584 Energy: 0.2771007278832024 Energy: 0.29925596403962906 Energy: 0.29925594145092055 Energy: 0.2702982193132731 Energy: 0.2991099354696196 Energy: 0.29910989218028416 Energy: 0.26625204325625923 Energy: 0.2935481033761387 Energy: 0.29354786477082145 Energy: 0.32743048148520953 Energy: 0.289812956257806 Energy: 0.2898131258478031 Energy: 0.26712314317411984 Energy: 0.2895968296760234 Energy: 0.2893118451266206 Energy: 0.2782615927701139 Energy: 0.2884621323393274 Energy: 0.28846235970806283 minimum gb energy = 0.26625204325625923 eV minimum distance = 2.61035791299746 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.30887586511002385 Energy: 0.2861887190905916 Energy: 0.2861890281813366 Energy: 0.3066569582808905 Energy: 0.30003477595239003 Energy: 0.30003015452534376 Energy: 0.2795731126697066 Energy: 0.28889745996155913 Energy: 0.2889008479611993 Energy: 0.3053201355089113 Energy: 0.2677797286546783 Energy: 0.2677797297308531 Energy: 0.264849395926625 Energy: 0.29589890192302004 Energy: 0.29589838460707346 Energy: 0.30807545430119976 Energy: 0.26462723790668746 Energy: 0.26478761524374433 Energy: 0.2615333543031885 Energy: 0.2780992924813404 Energy: 0.2780996357193529 Energy: 0.2964298716107378 Energy: 0.2699270881235924 Energy: 0.2699269375405697 Energy: 0.2615333541140429 Energy: 0.27936891740787173 Energy: 0.27936806402492537 Energy: 0.3280347627210542 Energy: 0.2666916212615984 Energy: 0.26669152376429267 minimum gb energy = 0.2615333541140429 eV minimum distance = 2.55972930413742 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.3074151055544625 Energy: 0.28156578598419113 Energy: 0.28156475528954517 Energy: 0.2724442145046104 Energy: 0.2979110870218915 Energy: 0.2979108328902143 Energy: 0.2706749906605066 Energy: 0.28042298547231503 Energy: 0.28042259667760205 Energy: 0.29703681304487756 Energy: 0.28555621058959296 Energy: 0.28555562017662706 Energy: 0.28319218431631576 Energy: 0.2769971979668966 Energy: 0.27699734985743807 Energy: 0.26818841812232636 Energy: 0.2806333538902392 Energy: 0.28062723528108097 Energy: 0.27568948570942986 Energy: 0.29253606018949374 Energy: 0.29253231707357047 Energy: 0.26574126033573275 Energy: 0.2920181710178561 Energy: 0.2920108612818711 Energy: 0.2848806202792262 Energy: 0.30072682238922593 Energy: 0.3007264458533096 Energy: 0.3043756204177022 Energy: 0.26913348887138444 Energy: 0.2691323577755393 minimum gb energy = 0.26574126033573275 eV minimum distance = 2.55548403848972 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.25667620938341446 Energy: 0.25594999801435286 Energy: 0.2559500036642239 Energy: 0.2745073779886055 Energy: 0.2616104790053878 Energy: 0.26161049298583255 Energy: 0.2591864104311634 Energy: 0.2632677717407877 Energy: 0.2632677468303457 Energy: 0.2561200674805827 Energy: 0.26326772058971604 Energy: 0.26326769227257196 Energy: 0.256120120502276 Energy: 0.26326776701335347 Energy: 0.26326778120511163 Energy: 0.29014554244980384 Energy: 0.2561200673803313 Energy: 0.2561200987642463 Energy: 0.2691286059230384 Energy: 0.2719150120268833 Energy: 0.27191503021191465 Energy: 0.2543309397276216 Energy: 0.28511829129052646 Energy: 0.2851179199137313 Energy: 0.2625621621937862 Energy: 0.2678984102757831 Energy: 0.267898682589204 Energy: 0.25433179454292054 Energy: 0.26962274899046695 Energy: 0.26962263886710736 minimum gb energy = 0.2543309397276216 eV minimum distance = 2.58039333484049 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.32575382718960205 Energy: 0.2766354782809861 Energy: 0.2766354834842144 Energy: 0.26545840632789836 Energy: 0.2865099862111372 Energy: 0.2865125280099904 Energy: 0.2762205675346763 Energy: 0.27712513667386846 Energy: 0.27712563356707376 Energy: 0.26443500151441224 Energy: 0.26805893792713414 Energy: 0.2666401120125993 Energy: 0.27263760150737204 Energy: 0.27707226128877366 Energy: 0.27706964200591616 Energy: 0.26848268575462525 Energy: 0.27559648951612065 Energy: 0.2755964791025844 Energy: 0.2663286492845485 Energy: 0.2733987155282998 Energy: 0.2733984590282157 Energy: 0.3018085005827233 Energy: 0.2696505255724891 Energy: 0.26965075015115386 Energy: 0.3050362771984366 Energy: 0.27297720486199717 Energy: 0.27297797447689803 Energy: 0.307082148460868 Energy: 0.26630106478114074 Energy: 0.26630985532976287 minimum gb energy = 0.26443500151441224 eV minimum distance = 2.55660409725934 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.28180666967818085 Energy: 0.26943923787979646 Energy: 0.2694403816488401 Energy: 0.2735882638124897 Energy: 0.27309323218438397 Energy: 0.2730954580841138 Energy: 0.27859901028560413 Energy: 0.27391499984590745 Energy: 0.27391503656828436 Energy: 0.2575713935657893 Energy: 0.2710909270545077 Energy: 0.2710905889365537 Energy: 0.313384093431249 Energy: 0.26193651144479785 Energy: 0.26193628380368744 Energy: 0.26990595214231655 Energy: 0.27821825556504876 Energy: 0.278234017647164 Energy: 0.25901703561295986 Energy: 0.2586174966355813 Energy: 0.2586447227569755 Energy: 0.30325093125065694 Energy: 0.26790913749443124 Energy: 0.26790140261812645 Energy: 0.2600350843313242 Energy: 0.30172678582792417 Energy: 0.30172677087145466 Energy: 0.26255767128115515 Energy: 0.27583701490387597 Energy: 0.2758372128036974 minimum gb energy = 0.2575713935657893 eV minimum distance = 2.55844417661887 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.2790991510920761 Energy: 0.2683443289876824 Energy: 0.26834434184547 Energy: 0.26311827343662086 Energy: 0.27413751727522334 Energy: 0.2741374439789949 Energy: 0.2621692382163018 Energy: 0.27157813291684235 Energy: 0.27157813332675756 Energy: 0.2625967413142506 Energy: 0.2896164176153232 Energy: 0.2896164185759658 Energy: 0.3087119126231658 Energy: 0.27631947204137436 Energy: 0.27632559823841574 Energy: 0.2631182828566924 Energy: 0.27157813329327135 Energy: 0.2715781346728915 Energy: 0.2655870010621617 Energy: 0.2723095431017435 Energy: 0.2723084426301347 Energy: 0.3454771352309373 Energy: 0.26865371311328295 Energy: 0.2686537878958638 Energy: 0.27578313324255604 Energy: 0.26568017951269435 Energy: 0.2653227296532534 Energy: 0.26558456402101416 Energy: 0.26739676054806155 Energy: 0.26739371901344994 minimum gb energy = 0.2621692382163018 eV minimum distance = 2.6273646627752 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.326491884129975 Energy: 0.26538826735852306 Energy: 0.26538826952444683 Energy: 0.2602538122653346 Energy: 0.26597690819255987 Energy: 0.26601172133862794 Energy: 0.26008511104940385 Energy: 0.2583706975565424 Energy: 0.25837126963873275 Energy: 0.2589762362053345 Energy: 0.2756621733679182 Energy: 0.27566321817612127 Energy: 0.2655697197060297 Energy: 0.26344864253344813 Energy: 0.2634484526824976 Energy: 0.3135162188388239 Energy: 0.2644076764952937 Energy: 0.26439920678798373 Energy: 0.25933297073570166 Energy: 0.26137129523316305 Energy: 0.26137023917905333 Energy: 0.3494450305801035 Energy: 0.2625448475425727 Energy: 0.26254475301424757 Energy: 0.2579051751661127 Energy: 0.2647462291067572 Energy: 0.26474599280117944 Energy: 0.2577733271338956 Energy: 0.2583709587180241 Energy: 0.2583709450114254 minimum gb energy = 0.2577733271338956 eV minimum distance = 2.63614239798866 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.3170637898098972 Energy: 0.2683622887125212 Energy: 0.26836191797174697 Energy: 0.26894962027946373 Energy: 0.2694243704791243 Energy: 0.2694234588876216 Energy: 0.30577359766740203 Energy: 0.27457349154101374 Energy: 0.2745756168886996 Energy: 0.26510167759314457 Energy: 0.26459395912820743 Energy: 0.26459330244363716 Energy: 0.29934439679141855 Energy: 0.2633999706283867 Energy: 0.2634153055623942 Energy: 0.2639872567515976 Energy: 0.26259702698681603 Energy: 0.2625973920037578 Energy: 0.26352776577724457 Energy: 0.2665571215884511 Energy: 0.26655714243512013 Energy: 0.3245471111315467 Energy: 0.26613941722517837 Energy: 0.26614170536968 Energy: 0.26514722779551436 Energy: 0.26277329953597706 Energy: 0.26277444964374136 Energy: 0.3057580430710204 Energy: 0.2730477049268012 Energy: 0.2730446520447864 minimum gb energy = 0.26259702698681603 eV minimum distance = 2.55271283721247 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.25137589403137905 Energy: 0.2519419400171035 Energy: 0.2519419447193719 Energy: 0.247314222895833 Energy: 0.2592193721488316 Energy: 0.2592205009518783 Energy: 0.25238658803860714 Energy: 0.24208047205806776 Energy: 0.2420804610310949 Energy: 0.2513414680308315 Energy: 0.24652462484184975 Energy: 0.24652488573663622 Energy: 0.2521697970855944 Energy: 0.24208045088417884 Energy: 0.242080472271991 Energy: 0.25318760830254644 Energy: 0.24652463160905896 Energy: 0.24652458459028387 Energy: 0.2489224843354204 Energy: 0.24652457865629135 Energy: 0.24652457883505668 Energy: 0.2513758933398154 Energy: 0.25841866997068896 Energy: 0.2584186524060434 Energy: 0.24892248515300147 Energy: 0.2560649753613535 Energy: 0.2560651804413499 Energy: 0.25309778004287764 Energy: 0.24999377169466758 Energy: 0.24999352481587106 minimum gb energy = 0.24208045088417884 eV minimum distance = 2.57864422483612 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.31162923559235606 Energy: 0.2567332460969899 Energy: 0.2567335006742054 Energy: 0.2532482184109938 Energy: 0.2548712908323972 Energy: 0.25487127511141955 Energy: 0.2929908944493906 Energy: 0.2589948742618289 Energy: 0.2590036197194266 Energy: 0.2553927311742758 Energy: 0.2562996466157857 Energy: 0.25629548675108166 Energy: 0.2532080103643969 Energy: 0.2541325964758554 Energy: 0.254132596456789 Energy: 0.26108168141468135 Energy: 0.2506044615453698 Energy: 0.2506044601282567 Energy: 0.2541524104297478 Energy: 0.2593531128603982 Energy: 0.2593527995615899 Energy: 0.25978091328986913 Energy: 0.2530487982552034 Energy: 0.2530532670705009 Energy: 0.2527254513797279 Energy: 0.2526144693127927 Energy: 0.25261381229730673 Energy: 0.25202140406689205 Energy: 0.28505287678143804 Energy: 0.2851008470494334 minimum gb energy = 0.2506044601282567 eV minimum distance = 2.58685489080242 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.326318401515362 Energy: 0.25051215650138653 Energy: 0.2505121648645015 Energy: 0.24332093844113614 Energy: 0.2617433648125099 Energy: 0.25974696154056476 Energy: 0.3080871933623465 Energy: 0.2467553837718028 Energy: 0.24675541155164532 Energy: 0.24842881185602167 Energy: 0.24668012869030764 Energy: 0.246679188098799 Energy: 0.2494174821602391 Energy: 0.27909201510133963 Energy: 0.27911939977983974 Energy: 0.2438234990710548 Energy: 0.25044391375187286 Energy: 0.2504439146355635 Energy: 0.29918890540460447 Energy: 0.2457442907079088 Energy: 0.24574874808511324 Energy: 0.3133091379395571 Energy: 0.24801965555106992 Energy: 0.24802574746390504 Energy: 0.24171751625646432 Energy: 0.2514852942344564 Energy: 0.2512761860740706 Energy: 0.24406878906534135 Energy: 0.259014509496297 Energy: 0.25901562253841287 minimum gb energy = 0.24171751625646432 eV minimum distance = 2.57045149267406 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.35042125052821177 Energy: 0.2534870924599488 Energy: 0.25348709123568347 Energy: 0.26885595199997625 Energy: 0.2503243034278938 Energy: 0.250349698816227 Energy: 0.25395048147732424 Energy: 0.27333517626452286 Energy: 0.273334855823003 Energy: 0.29292823949375435 Energy: 0.2469010168726153 Energy: 0.24690087785917356 Energy: 0.24834504898996548 Energy: 0.2625516920491878 Energy: 0.26255229116115875 Energy: 0.2817836865532692 Energy: 0.24896207571395146 Energy: 0.2489643396449929 Energy: 0.2483690045380903 Energy: 0.2483544101410367 Energy: 0.24835233637373735 Energy: 0.27145281634773427 Energy: 0.24900346018832603 Energy: 0.24900082763237194 Energy: 0.24836860212807496 Energy: 0.25403704393453463 Energy: 0.25403727914576213 Energy: 0.2897085174889072 Energy: 0.24735185120499328 Energy: 0.2473519699288419 minimum gb energy = 0.24690087785917356 eV minimum distance = 2.568023451831 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.2794435517061993 Energy: 0.24609451319346315 Energy: 0.24609429204930844 Energy: 0.23931140175868723 Energy: 0.2552167922775845 Energy: 0.25521712545904135 Energy: 0.27605056870153 Energy: 0.23799572453583015 Energy: 0.23799557342538194 Energy: 0.24056730648213662 Energy: 0.24731104085585587 Energy: 0.24608804918299998 Energy: 0.2372798194901129 Energy: 0.24596608212477153 Energy: 0.24603995553864613 Energy: 0.24141051459383192 Energy: 0.23424764636090575 Energy: 0.23424781457133137 Energy: 0.2699614093376945 Energy: 0.2376383106529466 Energy: 0.23763718663391145 Energy: 0.2821303974087718 Energy: 0.2457116478512321 Energy: 0.24571170988223698 Energy: 0.26993291649648865 Energy: 0.23424793522461157 Energy: 0.23424773944629568 Energy: 0.24348135381651598 Energy: 0.23665081482170497 Energy: 0.2366533618153671 minimum gb energy = 0.23424764636090575 eV minimum distance = 2.57617081206875 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.3092169926994128 Energy: 0.2444584853849313 Energy: 0.2444579093860211 Energy: 0.2311798121263284 Energy: 0.2496831063161814 Energy: 0.24940939900997122 Energy: 0.235634695607368 Energy: 0.24147862917084764 Energy: 0.24100885671879554 Energy: 0.2682998247713172 Energy: 0.23499870106215698 Energy: 0.23500125305915223 Energy: 0.258139268382612 Energy: 0.24634796309077656 Energy: 0.24747248200762642 Energy: 0.23196526118085553 Energy: 0.24201540855831646 Energy: 0.24201540849784137 Energy: 0.23375024328917682 Energy: 0.2520177150201914 Energy: 0.2520177096340619 Energy: 0.27587317334412664 Energy: 0.23626724566795407 Energy: 0.23626724571814683 Energy: 0.26018233383242656 Energy: 0.2299669714631768 Energy: 0.22996702229346463 Energy: 0.236463011708875 Energy: 0.23584283296691722 Energy: 0.23597219763684993 minimum gb energy = 0.2299669714631768 eV minimum distance = 2.58400273687794 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.3269344637903521 Energy: 0.2361640785925023 Energy: 0.23616387220558532 Energy: 0.24515639937536274 Energy: 0.22435733709497813 Energy: 0.22435733805172497 Energy: 0.2264592173184067 Energy: 0.24468633428303466 Energy: 0.244686334267423 Energy: 0.2261597314680989 Energy: 0.22862081934306255 Energy: 0.22861527542735133 Energy: 0.22636937149069317 Energy: 0.23937980990000107 Energy: 0.23934873718890154 Energy: 0.22645921693195434 Energy: 0.22737380910921026 Energy: 0.22737373721863477 Energy: 0.22636937308902486 Energy: 0.22737375588584785 Energy: 0.22737374430731994 Energy: 0.3153029187989631 Energy: 0.22737413048851093 Energy: 0.22737371369386622 Energy: 0.3122630643651248 Energy: 0.22866948356696867 Energy: 0.22866965238679182 Energy: 0.22646510435848732 Energy: 0.23787240410437033 Energy: 0.2378723720839343 minimum gb energy = 0.22435733709497813 eV minimum distance = 2.64782695608548 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.3139729523672672 Energy: 0.23629661902304172 Energy: 0.23629686951877674 Energy: 0.24186176029913722 Energy: 0.23188777462456872 Energy: 0.23188245731170168 Energy: 0.2189833582057317 Energy: 0.24444517548412933 Energy: 0.2427033543211687 Energy: 0.2232375520132639 Energy: 0.2614701801296951 Energy: 0.26146567584032065 Energy: 0.2512419144862989 Energy: 0.22517377200993818 Energy: 0.22519815096929555 Energy: 0.22139910192097811 Energy: 0.2565616493226164 Energy: 0.25656016723689273 Energy: 0.2206229093344497 Energy: 0.23188632309662222 Energy: 0.23188470438095876 Energy: 0.24601333790613392 Energy: 0.22573099142754502 Energy: 0.2257317430839824 Energy: 0.22067461584172843 Energy: 0.2508782451878779 Energy: 0.25088644387348835 Energy: 0.22444696497598518 Energy: 0.2265400016972216 Energy: 0.2273436550507247 minimum gb energy = 0.2189833582057317 eV minimum distance = 2.59700162025268 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.29882767429617824 Energy: 0.23054697368633303 Energy: 0.23054706753429086 Energy: 0.21635923012683642 Energy: 0.22270755727033428 Energy: 0.22270746414169584 Energy: 0.21295645593440912 Energy: 0.2207382181889578 Energy: 0.22073808604295175 Energy: 0.23938821719755635 Energy: 0.22725862947078676 Energy: 0.2272586349334225 Energy: 0.2138568930075727 Energy: 0.22073851389335375 Energy: 0.2207380951269005 Energy: 0.21717814407995936 Energy: 0.22905651983398578 Energy: 0.2290569511430951 Energy: 0.2162654524419353 Energy: 0.2473208723841769 Energy: 0.24732114444214037 Energy: 0.296117995281349 Energy: 0.23470527181762138 Energy: 0.23470637058492666 Energy: 0.2625489463243618 Energy: 0.22850978445799874 Energy: 0.22850979175140593 Energy: 0.2528870197501543 Energy: 0.21366516477396907 Energy: 0.21366515548342677 minimum gb energy = 0.21295645593440912 eV minimum distance = 2.58750755774831 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.25880645027109844 Energy: 0.25046632357392734 Energy: 0.2504663734876197 Energy: 0.2106445111377963 Energy: 0.26574318872003805 Energy: 0.2657443875635601 Energy: 0.21065799172528943 Energy: 0.25379887022648684 Energy: 0.2538102976533959 Energy: 0.25769998670830013 Energy: 0.2455878221703213 Energy: 0.24558776378271185 Energy: 0.24185855974489442 Energy: 0.22436731177578756 Energy: 0.224367962284883 Energy: 0.21097669193406446 Energy: 0.2206702916890268 Energy: 0.22067041720155303 Energy: 0.22044338386598816 Energy: 0.2243475508046667 Energy: 0.2243326400522075 Energy: 0.22098962236891528 Energy: 0.21930515510757378 Energy: 0.21931061204585459 Energy: 0.259418160472732 Energy: 0.21686730882336178 Energy: 0.21686744882324957 Energy: 0.2118247490311144 Energy: 0.2262014557609561 Energy: 0.22623201534658247 minimum gb energy = 0.2106445111377963 eV minimum distance = 2.59230049583516 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.27759091616606796 Energy: 0.24677952374325926 Energy: 0.24678210403856338 Energy: 0.2065995504411305 Energy: 0.2505678508209529 Energy: 0.250568710440031 Energy: 0.19787488883726986 Energy: 0.21500236932967187 Energy: 0.21922770012610576 Energy: 0.19792027594144593 Energy: 0.2077894001089919 Energy: 0.20779611617511548 Energy: 0.22078690501065465 Energy: 0.21438427140612748 Energy: 0.20415673596970618 Energy: 0.1948126286052233 Energy: 0.20801172851329133 Energy: 0.20801180075019426 Energy: 0.2608394918076451 Energy: 0.22049346327449867 Energy: 0.220529915266572 Energy: 0.24761896607097753 Energy: 0.20350750288796432 Energy: 0.20351145239583454 Energy: 0.20659949922146245 Energy: 0.22125406035852185 Energy: 0.22125648636445708 Energy: 0.1968115040384723 Energy: 0.21442947945372842 Energy: 0.21442330830631814 minimum gb energy = 0.1948126286052233 eV minimum distance = 2.61716226564356 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.29843599110416125 Energy: 0.26314500345966335 Energy: 0.26314532394999407 Energy: 0.19375846879395278 Energy: 0.19284035590897855 Energy: 0.19285609876143306 Energy: 0.1877402610530404 Energy: 0.21172046774635375 Energy: 0.21172047430109114 Energy: 0.18840777381073873 Energy: 0.2095233405665245 Energy: 0.20953695240650377 Energy: 0.18624955040034866 Energy: 0.20470282890182176 Energy: 0.20467202264451165 Energy: 0.19111990592185282 Energy: 0.24664308034304488 Energy: 0.24662986013064156 Energy: 0.28569627672955517 Energy: 0.20152169330297323 Energy: 0.2015216626148158 Energy: 0.3117049571547644 Energy: 0.24911033378684347 Energy: 0.24945480334959982 Energy: 0.22058359935548055 Energy: 0.2539547564913319 Energy: 0.2539589684206731 Energy: 0.2345506996789735 Energy: 0.20082061089416742 Energy: 0.20082047189036906 minimum gb energy = 0.18624955040034866 eV minimum distance = 2.61521934599306 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.20915515989077735 Energy: 0.25561765891395366 Energy: 0.2555952352275973 Energy: 0.2044718405848991 Energy: 0.1988597380731721 Energy: 0.19887172244664794 Energy: 0.19394640062403984 Energy: 0.19290813452011968 Energy: 0.192908125213339 Energy: 0.1865493546731308 Energy: 0.20112916303012318 Energy: 0.20108267326574203 Energy: 0.18029753108883684 Energy: 0.20542118373651344 Energy: 0.20575338161691245 Energy: 0.23303326817164802 Energy: 0.20111035964324547 Energy: 0.20111030709048494 Energy: 0.20866483229975863 Energy: 0.22874478958116898 Energy: 0.22873508618555535 Energy: 0.3117893453341881 Energy: 0.20104762637024257 Energy: 0.20105734157677965 Energy: 0.1903112339271407 Energy: 0.18850239722328962 Energy: 0.18848163396093892 Energy: 0.18768728640798574 Energy: 0.24496257985175954 Energy: 0.2438417934388776 minimum gb energy = 0.18029753108883684 eV minimum distance = 2.59059744005382 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.22344934403511038 Energy: 0.24562829471899403 Energy: 0.2456410736312325 Energy: 0.2448737992471154 Energy: 0.27362335652926273 Energy: 0.2711467610341556 Energy: 0.1800551541490821 Energy: 0.25862114369085504 Energy: 0.25856327321524697 Energy: 0.17921644522822133 Energy: 0.23425701152010717 Energy: 0.2343347416555691 Energy: 0.17865590771242762 Energy: 0.20030492151396972 Energy: 0.2003096322723262 Energy: 0.18005498479447923 Energy: 0.23743739353498797 Energy: 0.23809051870913173 Energy: 0.19855014831617926 Energy: 0.2244857993821787 Energy: 0.22447153085782706 Energy: 0.1999748490529515 Energy: 0.19561238320754337 Energy: 0.1956123820852942 Energy: 0.19862419369397008 Energy: 0.2170779660882642 Energy: 0.2177642257003066 Energy: 0.19022105463614453 Energy: 0.18952568633174785 Energy: 0.19034478415456452 minimum gb energy = 0.17865590771242762 eV minimum distance = 2.60286702974627 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.2870535068761376 Energy: 0.23594333084947797 Energy: 0.2358901737262389 Energy: 0.19883835163120786 Energy: 0.19956938564298898 Energy: 0.19961650478567766 Energy: 0.192484562716471 Energy: 0.17624896733091325 Energy: 0.17624894991751597 Energy: 0.16977913325117558 Energy: 0.18984461547647893 Energy: 0.18982901589724155 Energy: 0.17635106901194142 Energy: 0.23349339357778093 Energy: 0.2334627007950479 Energy: 0.17431102561183803 Energy: 0.18354898079166576 Energy: 0.18353971054922222 Energy: 0.1752164597608232 Energy: 0.17427252996067766 Energy: 0.17427253732133127 Energy: 0.19052051651422666 Energy: 0.21375637319928786 Energy: 0.198377951223816 Energy: 0.22419713052100995 Energy: 0.22947882609317202 Energy: 0.22948182457626098 Energy: 0.17304724058939897 Energy: 0.21904397905832865 Energy: 0.21904631588260984 minimum gb energy = 0.16977913325117558 eV minimum distance = 2.58487031255226 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.1956697522584743 Energy: 0.23548993289806044 Energy: 0.23548736029119377 Energy: 0.19722653269379475 Energy: 0.17623908514789552 Energy: 0.17426498638391913 Energy: 0.1700687149359675 Energy: 0.22748939427463016 Energy: 0.22748785880613404 Energy: 0.16410367624821012 Energy: 0.18673124256746124 Energy: 0.18671964128512955 Energy: 0.17028627874666832 Energy: 0.22219484885260646 Energy: 0.22198251192853888 Energy: 0.16530364224887395 Energy: 0.18671905075101597 Energy: 0.18673276150212625 Energy: 0.19364006821838287 Energy: 0.22822241613622435 Energy: 0.22821935771700697 Energy: 0.19017523740384762 Energy: 0.1867252352307087 Energy: 0.1867252131276362 Energy: 0.17672905524266955 Energy: 0.2220907484923598 Energy: 0.22220379665453635 Energy: 0.1687025792501143 Energy: 0.2287837703095084 Energy: 0.2292317651456016 minimum gb energy = 0.16410367624821012 eV minimum distance = 2.60110834640634 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.19680834791826907 Energy: 0.23319262799559565 Energy: 0.23319829564053823 Energy: 0.19645397739086776 Energy: 0.18673876564103742 Energy: 0.1867081133794939 Energy: 0.18464204024318495 Energy: 0.17622469871427088 Energy: 0.17622387263525396 Energy: 0.16990361478060373 Energy: 0.1829231131746032 Energy: 0.1829228073320232 Energy: 0.16452407621182039 Energy: 0.18897695007270665 Energy: 0.18897795650588667 Energy: 0.16570628388025824 Energy: 0.25707010840216593 Energy: 0.2570853119848458 Energy: 0.19700280744110332 Energy: 0.21433571854542102 Energy: 0.21433521670061065 Energy: 0.1879276330847354 Energy: 0.17902373356074724 Energy: 0.1790241982294706 Energy: 0.22891624981585024 Energy: 0.16784850133522844 Energy: 0.16783850083176569 Energy: 0.19175876614038906 Energy: 0.17625110672080843 Energy: 0.1762329101352984 minimum gb energy = 0.16452407621182039 eV minimum distance = 2.57755112170796 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.1886242487631485 Energy: 0.22604737866696945 Energy: 0.22604385435457305 Energy: 0.20317731729270538 Energy: 0.21823184028320108 Energy: 0.21825076156787832 Energy: 0.16194125506191134 Energy: 0.19912510030348204 Energy: 0.1991089165305274 Energy: 0.15669182492536546 Energy: 0.1858898871107017 Energy: 0.18588988210493282 Energy: 0.15720571434591588 Energy: 0.18146090784428592 Energy: 0.18146012435221523 Energy: 0.2006885462654956 Energy: 0.16728762693799776 Energy: 0.16626121114399348 Energy: 0.16740277001202808 Energy: 0.17092209645415254 Energy: 0.1709226955664621 Energy: 0.18385414868847436 Energy: 0.18356352373070106 Energy: 0.18357960949035917 Energy: 0.16702974239712015 Energy: 0.21602022605624435 Energy: 0.2160291798999192 Energy: 0.1629672923471502 Energy: 0.23930664280982375 Energy: 0.23930403024913166 minimum gb energy = 0.15669182492536546 eV minimum distance = 2.65138233211303 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011682590923055422 Energy: 0.011682590924429574 Energy: 0.01168259092132792 Energy: 0.011682590922014994 Energy: 0.1673072499576582 Energy: 0.1673077128555043 Energy: 0.011682590923055422 Energy: 0.1673072499593857 Energy: 0.16730724995801155 Energy: 0.01168259092166164 Energy: 0.16730738959095953 Energy: 0.16730724996215365 Energy: 0.01168259092166164 Energy: 0.1673073288982205 Energy: 0.16730756502953387 Energy: 0.011682590922014994 Energy: 0.16730724995905197 Energy: 0.1673072499593857 Energy: 0.011682590922348716 Energy: 0.16730811825127234 Energy: 0.16730824185423768 Energy: 0.01168259092166164 Energy: 0.011682590920974565 Energy: 0.011682590922014994 Energy: 0.011682590923389144 Energy: 0.167307251843602 Energy: 0.16730724995801155 Energy: 0.011682590922348716 Energy: 0.16730724996007276 Energy: 0.16730724995905197 minimum gb energy = 0.011682590920974565 eV minimum distance = 2.84097706394584 Angstroms sigma value = 1