Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Ag Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.097743973135948 cohesive_energy=2.823046017138722 mass=107.8682 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0763118213651538e-19, 1.559786244617628e-19, 1.96309896434118e-19, 2.30303278077696e-19, 2.59461290639862e-19, 2.8483656416915397e-19, 3.07182121683552e-19, 3.2742882780740996e-19, 3.454100561707919e-19, 3.6138856374167396e-19, 3.75567826952574e-19, 3.8811767652669594e-19, 3.9917109312466193e-19, 4.0884503564075397e-19, 4.17250054262718e-19, 4.2507348276653994e-19, 4.3178820503963397e-19, 4.374567059707259e-19, 4.421382660952739e-19, 4.45879348535664e-19, 4.4872321206101395e-19, 4.50713115440442e-19, 4.51882704383262e-19, 4.52265624598788e-19, 4.51850660850582e-19, 4.505000259481199e-19, 4.48159245885846e-19, 4.445383266930059e-19, 4.39347274398846e-19, 4.3226885802983396e-19, 4.2292496390034597e-19, 4.1084775643325395e-19, 3.9545884986368396e-19, 3.76043673412872e-19, 3.52248146044704e-19, 3.2341857969250794e-19, 2.87369605427508e-19, 2.4232440936259797e-19, 1.85971050614916e-19, 1.1533925392268938e-19, 2.6549348566687197e-20, -8.598593602883879e-20, -2.2971047272311597e-19, -4.1331350627297994e-19, -6.524864341964999e-19, -9.68228985635514e-19, -1.3923363558917519e-18, -1.9741219395831e-18, -2.7939076579018797e-18, -3.985494485906699e-18, -5.79209283663876e-18, -8.69168006531928e-18, -1.371466403057268e-17, -2.3433755884210798e-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: 0.00847317123238208 Energy: 0.00929928962662215 Energy: 0.8918838676095546 Energy: 0.00929928962662215 Energy: 0.00929928962662215 Energy: 1.0267533634248285 Energy: 0.00929928962662215 Energy: 1.0267533634200556 Energy: 0.89188386760908 Energy: 0.00929928962662215 Energy: 0.00847317123238208 Energy: 0.00929928962662215 Energy: 0.009299289626134011 Energy: 1.026753363411947 Energy: 0.00929928962662215 Energy: 1.0267533634086115 minimum gb energy = 0.00847317123238208 eV minimum distance = 2.82283690212634 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.6285475974039116 Energy: 0.9490375216504813 Energy: 1.0136904372973874 Energy: 0.9490375216510734 Energy: 1.044716525164272 Energy: 1.047091472431671 Energy: 0.9965919667863394 Energy: 1.0470914724322633 Energy: 1.012993481719033 Energy: 1.0118704267678864 Energy: 0.9965977255823281 Energy: 1.0118704267678864 Energy: 0.996043270706794 Energy: 0.9956282209925231 Energy: 0.9964625167703604 Energy: 0.9956282209942993 Energy: 1.0576809447799835 Energy: 0.9978198171910396 Energy: 0.9970446044298547 Energy: 0.9978198171898556 Energy: 0.9958060405905512 Energy: 1.1305598948342133 Energy: 0.9967264578375855 Energy: 1.1305598948342133 Energy: 0.9962377675858833 Energy: 1.1123376140064682 Energy: 1.0580018295140754 Energy: 1.1123376140082444 Energy: 1.0590783687228187 Energy: 1.1228639088051506 Energy: 1.0091991039134 Energy: 1.1228639088051506 Energy: 1.0677256621121949 Energy: 1.1676691947503361 Energy: 1.0584324974597599 Energy: 1.1676691947503361 Energy: 1.0675482034312922 Energy: 1.1352623368827963 Energy: 1.0670930252360147 Energy: 1.1352623368816124 Energy: 1.057204006393042 Energy: 1.1669456724347236 Energy: 1.0110654169980289 Energy: 1.1669456724353158 Energy: 1.0671243479995893 Energy: 1.1658781621643135 Energy: 1.0103274164491036 Energy: 1.1658781621654977 Energy: 1.0593704882012671 Energy: 1.1136128237149423 Energy: 1.065280660017594 Energy: 1.1136128237149423 Energy: 0.9959322396080141 Energy: 1.1133932479516406 Energy: 1.055626286100621 Energy: 1.1133932479516406 Energy: 1.043451260906784 Energy: 0.9981334986732707 Energy: 0.9971351114453437 Energy: 0.9981334986738629 Energy: 0.9448489599842053 Energy: 0.9974126912495362 Energy: 0.9968490086461721 Energy: 0.997412691248944 Energy: 1.0106313126229738 Energy: 1.0096580790575318 Energy: 0.9443962698578826 Energy: 1.0096580790569398 Energy: 0.9964196055817058 Energy: 0.996901872790622 Energy: 1.0450349869308748 Energy: 0.99690187279003 Energy: 0.9966878061812352 Energy: 1.0133347716722203 Energy: 1.0134011385125083 Energy: 1.0133347716716286 Energy: 0.9955307858620074 Energy: 0.9968036833238964 Energy: 0.9956514339125152 Energy: 0.9968036833233044 Energy: 0.997684901744651 Energy: 0.9964577959741657 Energy: 1.0574821838825388 Energy: 0.9964577959729819 Energy: 0.9965964886643026 Energy: 0.996386877213589 Energy: 0.9958678034197865 Energy: 0.9963868772129969 Energy: 1.0581755247959919 Energy: 1.112846251053429 Energy: 1.0606547319433024 Energy: 1.112846251053429 Energy: 1.0087818542661398 Energy: 1.1121028945889966 Energy: 1.0606631551120265 Energy: 1.1121028945884048 Energy: 1.05910983835942 Energy: 1.1683170318275504 Energy: 1.0677691967384912 Energy: 1.1683170318275504 Energy: 1.0691256785712424 Energy: 1.1658903981619788 Energy: 1.0691286965373943 Energy: 1.1658903981613866 Energy: 1.0116977838130667 Energy: 1.1668146558410981 Energy: 1.0664632713273836 Energy: 1.1668146558399137 Energy: 1.0103636848964397 Energy: 1.1665059175028314 Energy: 1.068273104531745 Energy: 1.1665059175028314 Energy: 1.0650378536428833 Energy: 1.1139376397421876 Energy: 0.9954028535848678 Energy: 1.1139376397421876 Energy: 1.055699755907008 Energy: 1.1129125719523865 Energy: 0.9957811865791055 Energy: 1.1129125719529784 Energy: 0.9977002254107538 Energy: 0.9981384270768727 Energy: 1.0438312677130475 Energy: 0.9981384270762808 Energy: 0.9967889424223879 Energy: 0.9973518499923643 Energy: 0.9446861213292405 Energy: 0.9973518499935484 Energy: 0.9443523747431559 Energy: 1.0092896449814799 Energy: 1.00933054632358 Energy: 1.0092896449814799 minimum gb energy = 0.9443523747431559 eV minimum distance = 2.60867230972976 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.2020337395346106 Energy: 1.0085026133877741 Energy: 1.0825647698232121 Energy: 1.008502613385749 Energy: 1.1201759634425712 Energy: 1.114262319318632 Energy: 1.0649168419071748 Energy: 1.114262319317282 Energy: 1.0796858043342998 Energy: 1.0788419305390617 Energy: 1.0636133467107212 Energy: 1.078841930537712 Energy: 1.0631989202606953 Energy: 1.0663505089354948 Energy: 1.064930812037097 Energy: 1.0663505089375198 Energy: 1.0631643682942369 Energy: 1.0671681596069102 Energy: 1.0636819738058714 Energy: 1.06716815960556 Energy: 1.0632670439743013 Energy: 1.209630806993244 Energy: 1.065154101327321 Energy: 1.209630806991894 Energy: 1.0642925837596617 Energy: 1.1972622068436347 Energy: 1.1327686632315865 Energy: 1.1972622068449845 Energy: 1.1342573065236137 Energy: 1.205134695972471 Energy: 1.0769994201330433 Energy: 1.205134695971121 Energy: 1.0772511320587692 Energy: 1.2469584993019585 Energy: 1.1397487580963672 Energy: 1.2469584992992586 Energy: 1.077367159560841 Energy: 1.2466638173813969 Energy: 1.1411860694016596 Energy: 1.2466638173834215 Energy: 1.138401455113548 Energy: 1.1985363310666255 Energy: 1.0624345965098962 Energy: 1.1985363310666255 Energy: 1.1301363150734551 Energy: 1.1980288786824385 Energy: 1.0631174758207083 Energy: 1.1980288786851383 Energy: 1.065619178319524 Energy: 1.0670287357817343 Energy: 1.1189516394935264 Energy: 1.0670287357830843 Energy: 1.0649174191049535 Energy: 1.066245964193582 Energy: 1.0029810774995125 Energy: 1.0662459641949318 Energy: 1.0029349703161587 Energy: 1.0766356663882344 Energy: 1.0787459723468338 Energy: 1.0766356663889094 Energy: 1.1202878794468116 Energy: 1.0646321339461127 Energy: 1.0647235810652802 Energy: 1.064632133948107 Energy: 1.081453029602191 Energy: 1.0818111158509462 Energy: 1.0636104732232252 Energy: 1.0818111158502712 Energy: 1.0630498698866238 Energy: 1.0649642607905987 Energy: 1.0623481493748554 Energy: 1.0649642607892487 Energy: 1.0769169962277139 Energy: 1.0645921619210863 Energy: 1.064399472357862 Energy: 1.0645921619204113 Energy: 1.0632008740556316 Energy: 1.065494295179685 Energy: 1.0651091721905883 Energy: 1.0654942951810351 Energy: 1.062973373467532 Energy: 1.1976645999759636 Energy: 1.1334777568729288 Energy: 1.1976645999732636 Energy: 1.0635954041778146 Energy: 1.1957140404365083 Energy: 1.0768250639602313 Energy: 1.1957140404378581 Energy: 1.0769818620156895 Energy: 1.2469839199875523 Energy: 1.139920980376892 Energy: 1.246983919986202 Energy: 1.0777573524070188 Energy: 1.2466435087138001 Energy: 1.1413677492554102 Energy: 1.2466435087151502 Energy: 1.1384562232312274 Energy: 1.1987082116903736 Energy: 1.0623197899133054 Energy: 1.1987082116876735 Energy: 1.1304052086988563 Energy: 1.1970848657583304 Energy: 1.0629836540179622 Energy: 1.1970848657603552 Energy: 1.066640912270298 Energy: 1.0671898739833314 Energy: 1.1189324488238193 Energy: 1.0671898739840064 Energy: 1.0648501467691451 Energy: 1.0658773409237503 Energy: 1.0029022740873639 Energy: 1.0658773409230753 Energy: 1.0028142798553306 Energy: 1.0765248052770875 Energy: 1.0769073891987069 Energy: 1.0765248052770875 minimum gb energy = 1.0028142798553306 eV minimum distance = 2.60950405302511 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 1.7560613375859733 Energy: 1.076963012806327 Energy: 1.1598294066216615 Energy: 1.076963012806327 Energy: 1.2253440600956782 Energy: 1.189814408978355 Energy: 1.1438746502961694 Energy: 1.1898144089791398 Energy: 1.1547682240432942 Energy: 1.15467354590295 Energy: 1.1422393286276775 Energy: 1.1546735459037347 Energy: 1.1544612982757958 Energy: 1.146262517566529 Energy: 1.1436327328647087 Energy: 1.1462625175657444 Energy: 1.1418698414328363 Energy: 1.1485365165350305 Energy: 1.1427286764678772 Energy: 1.1485365165358152 Energy: 1.1399448082506924 Energy: 1.144159025569774 Energy: 1.1435448458959714 Energy: 1.1441590255705585 Energy: 1.141375608923804 Energy: 1.2987266897239147 Energy: 1.214053684458132 Energy: 1.2987266897239147 Energy: 1.1414544221447553 Energy: 1.295381028442101 Energy: 1.0882166487222302 Energy: 1.295381028442101 Energy: 1.2166829116414217 Energy: 1.3021716871692877 Energy: 1.2077704167667147 Energy: 1.302171687168503 Energy: 1.1397211313127051 Energy: 1.2984056180919221 Energy: 1.1438431189119347 Energy: 1.2984056180919221 Energy: 1.0687580366091798 Energy: 1.148168293316033 Energy: 1.1434079227060912 Energy: 1.1481682933168178 Energy: 1.0689864122982906 Energy: 1.144376275344818 Energy: 1.1433906662792004 Energy: 1.144376275344818 Energy: 1.1542136177354865 Energy: 1.1541235307295425 Energy: 1.0685627487168892 Energy: 1.1541235307295425 Energy: 1.161287185172148 Energy: 1.140454443287067 Energy: 1.2253406828950224 Energy: 1.1404544432878512 Energy: 1.141998710212529 Energy: 1.1542228923410005 Energy: 1.1610638251744934 Energy: 1.1542228923402158 Energy: 1.1611690750068537 Energy: 1.1399882695814016 Energy: 1.1544189139655747 Energy: 1.1399882695814016 Energy: 1.1440843648822343 Energy: 1.1398895809032592 Energy: 1.1418794911874397 Energy: 1.1398895809024745 Energy: 1.144717939959588 Energy: 1.1444685945401782 Energy: 1.1399388656943483 Energy: 1.1444685945401782 Energy: 1.2140962484495537 Energy: 1.299127918499948 Energy: 1.1399843093888333 Energy: 1.299127918499948 Energy: 1.0891069771935904 Energy: 1.2990507679204317 Energy: 1.1400648247023006 Energy: 1.2990507679204317 Energy: 1.2079609762791872 Energy: 1.3023894188874072 Energy: 1.2167785850867858 Energy: 1.3023894188881917 Energy: 1.2080869846080267 Energy: 1.300701246639268 Energy: 1.1405362985149725 Energy: 1.300701246639268 Energy: 1.1467184296361905 Energy: 1.1483502768426188 Energy: 1.0689159657004024 Energy: 1.1483502768434035 Energy: 1.143494932198326 Energy: 1.1443336960600476 Energy: 1.0688492190285976 Energy: 1.1443336960522008 Energy: 1.0685360965179171 Energy: 1.1541567941836282 Energy: 1.154710353081987 Energy: 1.1541567941836282 minimum gb energy = 1.0685360965179171 eV minimum distance = 2.61205393012604 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.6471545315790095 Energy: 1.1524902245555697 Energy: 1.2417784087907802 Energy: 1.152490224554634 Energy: 1.3238866364735542 Energy: 1.2725123821503788 Energy: 1.252422917295435 Energy: 1.2725123821494426 Energy: 1.2408081400891298 Energy: 1.241496492650339 Energy: 1.252263077461584 Energy: 1.241496492650339 Energy: 1.2409385509719184 Energy: 1.2731013739252965 Energy: 1.2337499146419049 Energy: 1.2731013739243606 Energy: 1.2300651729058727 Energy: 1.245140106782194 Energy: 1.2328469369775437 Energy: 1.245140106782194 Energy: 1.222997497190075 Energy: 1.2346127244063085 Energy: 1.234036514471144 Energy: 1.2346127244063085 Energy: 1.3028146834836047 Energy: 1.4266012867676678 Energy: 1.2342384204330847 Energy: 1.4266012867667532 Energy: 1.2343617316048219 Energy: 1.4081938219217793 Energy: 1.233533673487373 Energy: 1.4081938219217793 Energy: 1.23484053665556 Energy: 1.2448895496745134 Energy: 1.1396427505761446 Energy: 1.2448895496735772 Energy: 1.2339133918339102 Energy: 1.245416885824738 Energy: 1.1398427003573854 Energy: 1.245416885824738 Energy: 1.139960323340811 Energy: 1.241238741027787 Energy: 1.2413929234303354 Energy: 1.241238741026851 Energy: 1.3228590941181386 Energy: 1.2229447940071498 Energy: 1.2522448352168107 Energy: 1.2229447940071498 Energy: 1.2522577639414245 Energy: 1.241373223597013 Energy: 1.2523713020011278 Energy: 1.241373223597949 Energy: 1.2410935924510553 Energy: 1.223175424440328 Energy: 1.241353798001591 Energy: 1.2231754244393918 Energy: 1.2300710360662326 Energy: 1.2224250537896943 Energy: 1.2342873718997924 Energy: 1.2224250537906305 Energy: 1.22275399589831 Energy: 1.245773811081045 Energy: 1.2337154514043953 Energy: 1.245773811081045 Energy: 1.3025189535726012 Energy: 1.4361145414612206 Energy: 1.2344513074335268 Energy: 1.4361145414612206 Energy: 1.3025346126889341 Energy: 1.4283324223103073 Energy: 1.2335385807585237 Energy: 1.4283324223112435 Energy: 1.2351963522487437 Energy: 1.2448953732464276 Energy: 1.1396954229674492 Energy: 1.2448953732454915 Energy: 1.2342433460529136 Energy: 1.2454334420772846 Energy: 1.1398222119613524 Energy: 1.2454334420763487 Energy: 1.138639928524991 Energy: 1.240693181565795 Energy: 1.2402690011733197 Energy: 1.240693181565795 minimum gb energy = 1.138639928524991 eV minimum distance = 2.61617888073394 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.4784865164248142 Energy: 1.2281691422650443 Energy: 1.3548009826046457 Energy: 1.228169142266202 Energy: 1.3422012746358623 Energy: 1.313943823888737 Energy: 1.353031480610984 Energy: 1.3139438238875794 Energy: 1.339194579526134 Energy: 1.3390730534312356 Energy: 1.3522833735094473 Energy: 1.3390730534312356 Energy: 1.339241893999039 Energy: 1.3145313542361798 Energy: 1.2500589037512193 Energy: 1.3145313542350223 Energy: 1.2452367163671827 Energy: 1.250008642159214 Energy: 1.2500152397196684 Energy: 1.250008642159214 Energy: 1.2190288080516185 Energy: 1.4102679946266201 Energy: 1.2481622232296234 Energy: 1.4102679946266201 Energy: 1.213876188921531 Energy: 1.2500190477011313 Energy: 1.2498943127729907 Energy: 1.2500190477022886 Energy: 1.2138804081802992 Energy: 1.3147333313096874 Energy: 1.249854573902591 Energy: 1.3147333313085297 Energy: 1.3393578915413553 Energy: 1.3392511943763707 Energy: 1.4560159806767494 Energy: 1.3392511943763707 Energy: 1.3531339351057883 Energy: 1.2197922377920754 Energy: 1.4533487887150178 Energy: 1.2197922377943644 Energy: 1.3517454669867468 Energy: 1.3396732371927618 Energy: 1.3527068836879972 Energy: 1.3396732371927618 Energy: 1.3376813518630266 Energy: 1.2199377952523338 Energy: 1.3401241206485834 Energy: 1.2199377952523338 Energy: 1.2487282203161858 Energy: 1.4110083991737852 Energy: 1.245121199452367 Energy: 1.4110083991726277 Energy: 1.2500457203493158 Energy: 1.250079965075496 Energy: 1.2203625371690352 Energy: 1.2500799650743382 Energy: 1.249747789972046 Energy: 1.2495528329345922 Energy: 1.2137126057329644 Energy: 1.24955283293575 Energy: 1.2493403428266265 Energy: 1.2499405988113903 Energy: 1.2138986297298962 Energy: 1.2499405988137053 Energy: 1.453667949521849 Energy: 1.3388028363068898 Energy: 1.3378182263038918 Energy: 1.3388028363068898 minimum gb energy = 1.2137126057329644 eV minimum distance = 2.6248385497985 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.9695057204978 Energy: 1.3835540211412978 Energy: 1.477155197544704 Energy: 1.3835540211406423 Energy: 1.2477959001882202 Energy: 1.2727747818740949 Energy: 1.3980504211774878 Energy: 1.2727747818740949 Energy: 1.3121470227650758 Energy: 1.311984838565753 Energy: 1.4538850579019287 Energy: 1.3119848385664086 Energy: 1.3121917346759973 Energy: 1.3257861343813588 Energy: 1.3099809300484302 Energy: 1.3257861343807034 Energy: 1.3123642940839935 Energy: 1.3810070158287022 Energy: 1.249498944911013 Energy: 1.381007015829358 Energy: 1.3107043695288507 Energy: 1.324766041758038 Energy: 1.3120599319587958 Energy: 1.3247660417567269 Energy: 1.3684548379922155 Energy: 1.310123007543169 Energy: 1.3103741427939077 Energy: 1.3101230075418575 Energy: 1.5350741994472283 Energy: 1.3099327354853445 Energy: 1.2732631401716001 Energy: 1.3099327354853445 Energy: 1.4702679678379902 Energy: 1.4544128340563829 Energy: 1.4549432490832228 Energy: 1.4544128340563829 Energy: 1.4542029146356288 Energy: 1.4544170061633583 Energy: 1.3963394187412743 Energy: 1.454417006164014 Energy: 1.3092666810224878 Energy: 1.2733045794651716 Energy: 1.2710059823489117 Energy: 1.273304579464516 Energy: 1.4551191896479814 Energy: 1.2736047329814166 Energy: 1.2739213950924477 Energy: 1.273604732982072 Energy: 1.369025401513114 Energy: 1.273383812741763 Energy: 1.274346986680467 Energy: 1.273383812741763 Energy: 1.3695003172525775 Energy: 1.2733181186161313 Energy: 1.2725138645885272 Energy: 1.2733181186167868 Energy: 1.4542356482326484 Energy: 1.453662877969534 Energy: 1.5363560080335468 Energy: 1.4536628779701897 Energy: 1.469062596771551 Energy: 1.4534571224078636 Energy: 1.536900911275247 Energy: 1.453457122407208 Energy: 1.4541250133965165 Energy: 1.3101590797647173 Energy: 1.312573498781446 Energy: 1.3101590797647173 Energy: 1.454078318095929 Energy: 1.3101675703130127 Energy: 1.308784511631499 Energy: 1.3101675703130127 Energy: 1.3112311158173968 Energy: 1.381103849319827 Energy: 1.312628996814518 Energy: 1.3811038493204828 Energy: 1.2515694122866445 Energy: 1.325971220239539 Energy: 1.312777490532359 Energy: 1.325971220239539 Energy: 1.3108877517196036 Energy: 1.3113548685477856 Energy: 1.5350086896488395 Energy: 1.3113548685477856 Energy: 1.3117123528148087 Energy: 1.3108898426899394 Energy: 1.3681884903286843 Energy: 1.3108898426873168 Energy: 1.3961823246375555 Energy: 1.3259852457424846 Energy: 1.3964484830285064 Energy: 1.3259852457431403 Energy: 1.472110525912333 Energy: 1.4546587903113668 Energy: 1.4548566281502218 Energy: 1.4546587903113668 Energy: 1.2730213665781627 Energy: 1.273331043892371 Energy: 1.4552096219877089 Energy: 1.273331043892371 Energy: 1.27387907608029 Energy: 1.2736306576224414 Energy: 1.3091605625230076 Energy: 1.273630657621786 Energy: 1.2707829902546175 Energy: 1.2737696067195001 Energy: 1.3703741990631138 Energy: 1.2737696067195001 Energy: 1.2737234345533586 Energy: 1.2733286316236239 Energy: 1.369267767994639 Energy: 1.2733286316229684 Energy: 1.273155449741132 Energy: 1.2733569276958001 Energy: 1.3688712853291463 Energy: 1.2733569276951444 Energy: 1.5381206176715998 Energy: 1.4550274556333676 Energy: 1.454433849234348 Energy: 1.4550274556333676 minimum gb energy = 1.2477959001882202 eV minimum distance = 2.61568698772404 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.8120262200173005 Energy: 1.2350804031526343 Energy: 1.3941924073242538 Energy: 1.2350804031541438 Energy: 1.5445716888958467 Energy: 1.3084234907714642 Energy: 1.3913783153376795 Energy: 1.308423490770847 Energy: 1.3909548710635928 Energy: 1.3906838974554547 Energy: 1.4028834593332473 Energy: 1.3906838974528821 Energy: 1.3908896194704203 Energy: 1.3090505002600212 Energy: 1.3891566774046078 Energy: 1.3090505002572943 Energy: 1.409223149093497 Energy: 1.3083651296761294 Energy: 1.2223015641784087 Energy: 1.3083651296762664 Energy: 1.3894687328218527 Energy: 1.3105074987445822 Energy: 1.2240465551147892 Energy: 1.3105074987441363 Energy: 1.5442946388263985 Energy: 1.3907565816834893 Energy: 1.3910379924845075 Energy: 1.390756581683335 Energy: 1.5443422881118007 Energy: 1.389860838365152 Energy: 1.3879758784795697 Energy: 1.3898608383653064 Energy: 1.3905324855483303 Energy: 1.3904459977365204 Energy: 1.4028816875216161 Energy: 1.3904459977365204 Energy: 1.389044774892883 Energy: 1.3903168458029478 Energy: 1.3908816892584819 Energy: 1.3903168458027935 Energy: 1.4092815420328888 Energy: 1.3132404939737707 Energy: 1.224867440602465 Energy: 1.313240493974663 Energy: 1.3906666007567081 Energy: 1.3077961837266625 Energy: 1.2192410184270672 Energy: 1.3077961837271255 Energy: 1.5443470871024811 Energy: 1.3898484792429784 Energy: 1.3885787935060823 Energy: 1.389848479243287 minimum gb energy = 1.2192410184270672 eV minimum distance = 2.62010562758341 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.7440419306208899 Energy: 1.4196236557845523 Energy: 1.5523003536930766 Energy: 1.4196236557839936 Energy: 1.3571764065276952 Energy: 1.2992199607626234 Energy: 1.513011524839884 Energy: 1.299219960763182 Energy: 1.3014501297490764 Energy: 1.3047779485169972 Energy: 1.4955484645868946 Energy: 1.3047779485169972 Energy: 1.3022035572983026 Energy: 1.301453297107181 Energy: 1.5881502494423985 Energy: 1.3014532971082982 Energy: 1.3002866891883322 Energy: 1.2985192837907407 Energy: 1.5859859722967058 Energy: 1.2985192837907407 Energy: 1.297729858183563 Energy: 1.2987616866266425 Energy: 1.5858753112534387 Energy: 1.2987616866266425 Energy: 1.515286750479931 Energy: 1.4965797933695764 Energy: 1.5140021419138485 Energy: 1.496579793368459 Energy: 1.5139850233141205 Energy: 1.4955316440107047 Energy: 1.4966288587020704 Energy: 1.4955316440095876 Energy: 1.3485529963461125 Energy: 1.4152958920148755 Energy: 1.367392151477504 Energy: 1.4152958920293999 Energy: 1.3048208009201638 Energy: 1.368544435385148 Energy: 1.4965203470831179 Energy: 1.3685444353857064 Energy: 1.346715378845428 Energy: 1.34657171064957 Energy: 1.4539602774708464 Energy: 1.3465717106490116 Energy: 1.3666942258621122 Energy: 1.349221323389285 Energy: 1.586430116601692 Energy: 1.3492213233904022 Energy: 1.5126747145070767 Energy: 1.3466187958157394 Energy: 1.3730313360051678 Energy: 1.3466187958157394 Energy: 1.514595434246403 Energy: 1.348075296923225 Energy: 1.3485929909773067 Energy: 1.348075296922108 Energy: 1.4955493429989732 Energy: 1.3659980387183563 Energy: 1.3518776936380443 Energy: 1.3659980387217083 Energy: 1.4038133362924108 Energy: 1.4236019366582455 Energy: 1.3651702367012977 Energy: 1.4236019366571284 Energy: 1.4959727092277983 Energy: 1.4200288900835678 Energy: 1.3487894345202238 Energy: 1.4200288900824505 Energy: 1.4965193161714478 Energy: 1.4983341395668128 Energy: 1.5886121113670062 Energy: 1.4983341395662544 Energy: 1.5130518429112993 Energy: 1.2988312658249854 Energy: 1.3581473070445256 Energy: 1.298831265845655 Energy: 1.4952872030371598 Energy: 1.3020562543664742 Energy: 1.3003027954364161 Energy: 1.3020562543664742 Energy: 1.5889078887362047 Energy: 1.299848862673035 Energy: 1.299256563825868 Energy: 1.299848862673035 Energy: 1.5859310069947261 Energy: 1.2979707887660805 Energy: 1.2988500563304042 Energy: 1.2979707887655474 Energy: 1.5858787158534295 Energy: 1.2992337653132744 Energy: 1.297466645082284 Energy: 1.2992337653132744 Energy: 1.5151791687671792 Energy: 1.4962185886875128 Energy: 1.515518128251513 Energy: 1.4962185886880717 Energy: 1.4972007822293285 Energy: 1.4955231650894474 Energy: 1.5144449325272429 Energy: 1.4955231650894474 Energy: 1.366516166690741 Energy: 1.4222008819131697 Energy: 1.3472252961662434 Energy: 1.4222008819120522 Energy: 1.496755823611559 Energy: 1.3681342551369613 Energy: 1.3047967030550176 Energy: 1.3681342551369613 Energy: 1.4533430207453677 Energy: 1.347269109081445 Energy: 1.3476073269437945 Energy: 1.3472691090808864 Energy: 1.5866442856615364 Energy: 1.443106388953309 Energy: 1.3654297895614824 Energy: 1.443106388953309 Energy: 1.3665729487269418 Energy: 1.3471751620488184 Energy: 1.5119270033742709 Energy: 1.3471751620482597 Energy: 1.3492789088615937 Energy: 1.3490457690840676 Energy: 1.49583408703163 Energy: 1.349045769083509 Energy: 1.3511543944867654 Energy: 1.34792149607235 Energy: 1.496093410912222 Energy: 1.34792149607235 Energy: 1.3659332140054063 Energy: 1.4233413156781518 Energy: 1.4039881352478558 Energy: 1.4233413156787105 Energy: 1.3476049291490535 Energy: 1.4223219504284712 Energy: 1.4035362351849356 Energy: 1.4223219504279123 Energy: 1.5881371515872105 Energy: 1.4977103660975986 Energy: 1.4962629696392675 Energy: 1.4977103660975986 minimum gb energy = 1.297466645082284 eV minimum distance = 2.57887391413779 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.8973655332543173 Energy: 1.3740641566061447 Energy: 1.4396170571231546 Energy: 1.3740641566052583 Energy: 1.3718136534204455 Energy: 1.3195240088092761 Energy: 1.4517513651820158 Energy: 1.3195240088101625 Energy: 1.3237407751936392 Energy: 1.3243147277399119 Energy: 1.4858502015630313 Energy: 1.324314727740798 Energy: 1.323890543771717 Energy: 1.3228578027109301 Energy: 1.5708983772965468 Energy: 1.3228578027109301 Energy: 1.3238299559004678 Energy: 1.3244797639923527 Energy: 1.5241733987519501 Energy: 1.3244797639914665 Energy: 1.402645026619107 Energy: 1.32481033826424 Energy: 1.5240942699654854 Energy: 1.32481033826424 Energy: 1.4771375196214056 Energy: 1.487466162203763 Energy: 1.5071786868945274 Energy: 1.487466162203763 Energy: 1.401086664610518 Energy: 1.4850865758678895 Energy: 1.484855585115987 Energy: 1.485086575868776 Energy: 1.3735679007634705 Energy: 1.4855784625123065 Energy: 1.4859722242571094 Energy: 1.4855784625123065 Energy: 1.350711025263217 Energy: 1.3252794576413645 Energy: 1.4860387582166839 Energy: 1.3252794576413645 Energy: 1.3930093544635576 Energy: 1.2914459084469845 Energy: 1.486080998826927 Energy: 1.2914459084469845 Energy: 1.380405779556183 Energy: 1.2929302519799244 Energy: 1.5589557726781877 Energy: 1.2929302519799244 Energy: 1.486237496189165 Energy: 1.3887777447463343 Energy: 1.3654587093337018 Energy: 1.3887777447463343 Energy: 1.4860604693871033 Energy: 1.364475219030399 Energy: 1.36317173557588 Energy: 1.364475219030399 Energy: 1.5124534411315715 Energy: 1.3642533600392832 Energy: 1.3638741702959971 Energy: 1.364253360038397 Energy: 1.5100986564014736 Energy: 1.3665691758577307 Energy: 1.364087078651923 Energy: 1.366569175858617 Energy: 1.5231335433379867 Energy: 1.3656708872047094 Energy: 1.3634431494967827 Energy: 1.3656708872055956 Energy: 1.4579463949446203 Energy: 1.5365893155440447 Energy: 1.5579167936992808 Energy: 1.5365893155440447 Energy: 1.4456883416379138 Energy: 1.4471878994058547 Energy: 1.40177890868112 Energy: 1.4471878994058547 Energy: 1.4448182964097713 Energy: 1.415215006996461 Energy: 1.4386967396184591 Energy: 1.415215006996461 Energy: 1.4453575989001963 Energy: 1.4261280060743549 Energy: 1.3535930869334447 Energy: 1.4261280060752415 Energy: 1.5867469369437643 Energy: 1.4373311733851875 Energy: 1.4377957391208596 Energy: 1.437331173384301 minimum gb energy = 1.2914459084469845 eV minimum distance = 2.56778100509324 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 2.2479355993243804 Energy: 1.3382173303630813 Energy: 1.5251863819035036 Energy: 1.3382173303649327 Energy: 1.4216409106904104 Energy: 1.4283465163265956 Energy: 1.4413696470936979 Energy: 1.4283465163247155 Energy: 1.317254959202675 Energy: 1.3201969893337844 Energy: 1.4442953636396603 Energy: 1.3201969893312775 Energy: 1.3231991555370555 Energy: 1.3244654428449143 Energy: 1.5916347835288849 Energy: 1.3244654428449143 Energy: 1.315813932042137 Energy: 1.3169792595789154 Energy: 1.5270732466930033 Energy: 1.3169792595782885 Energy: 1.3310706172128222 Energy: 1.3169077590811025 Energy: 1.527495286855748 Energy: 1.3169077590817289 Energy: 1.5145161901067739 Energy: 1.3185379452848547 Energy: 1.3268438918565655 Energy: 1.318537945286108 Energy: 1.4432413544234635 Energy: 1.31638026802151 Energy: 1.3144230450814947 Energy: 1.3163802680183763 Energy: 1.5145915813260897 Energy: 1.3265082065325442 Energy: 1.3240042085736698 Energy: 1.3265082065337974 Energy: 1.5284271014817299 Energy: 1.510786608941732 Energy: 1.315676865717716 Energy: 1.510786608941732 Energy: 1.4427133182245881 Energy: 1.4258312116093952 Energy: 1.4357902045966133 Energy: 1.4258312116106486 Energy: 1.4297339979397625 Energy: 1.430807270536733 Energy: 1.523050094078103 Energy: 1.430807270536106 Energy: 1.4287745643647207 Energy: 1.4278112442818987 Energy: 1.428360280539295 Energy: 1.4278112442806452 Energy: 1.4287924148943099 Energy: 1.406531835850912 Energy: 1.3256726699162016 Energy: 1.4065318358521655 Energy: 1.4275384076210886 Energy: 1.4273738158769123 Energy: 1.3250131335093083 Energy: 1.427373815879419 Energy: 1.4997047224312083 Energy: 1.430380716554933 Energy: 1.4285985923404116 Energy: 1.4303807165568132 Energy: 1.4232510526513131 Energy: 1.4257305080136022 Energy: 1.4436571684591006 Energy: 1.425730508014229 Energy: 1.3156342659973521 Energy: 1.510936773548334 Energy: 1.443575050558828 Energy: 1.5109367735502142 Energy: 1.3241231344482807 Energy: 1.3266377620743541 Energy: 1.5146374619628151 Energy: 1.3266377620743541 Energy: 1.3143548024778722 Energy: 1.316171622999835 Energy: 1.4317036860982608 Energy: 1.3161716230017153 Energy: 1.3275908528912486 Energy: 1.3185462731955526 Energy: 1.5275746027620192 Energy: 1.3185462731942994 Energy: 1.5145172222670074 Energy: 1.3169627015387468 Energy: 1.3314284528932052 Energy: 1.3169627015374934 Energy: 1.5172793013180175 Energy: 1.317122284275132 Energy: 1.3157998310886587 Energy: 1.317122284275132 Energy: 1.438266185447858 Energy: 1.325347310194642 Energy: 1.3238212558386206 Energy: 1.3253473101921354 Energy: 1.528190253228193 Energy: 1.320177676850923 Energy: 1.3174562206774052 Energy: 1.3201776768540565 Energy: 1.5296456990054512 Energy: 1.428137072643608 Energy: 1.3189746617975933 Energy: 1.4281370726429814 Energy: 1.427885715645233 Energy: 1.4285344991791276 Energy: 1.9167937378528837 Energy: 1.4285344991791276 Energy: 1.4255139711443015 Energy: 1.4289770750903068 Energy: 1.4278778524170326 Energy: 1.4289770750915602 Energy: 1.446829938223486 Energy: 1.4031805834446396 Energy: 1.4286102724172056 Energy: 1.4031805834452664 Energy: 1.4253400189489762 Energy: 1.4275965240816515 Energy: 1.3381548573242235 Energy: 1.4275965240841582 Energy: 1.501581438254773 Energy: 1.426560649813927 Energy: 1.4273267910360161 Energy: 1.4265606498158068 minimum gb energy = 1.3143548024778722 eV minimum distance = 2.57116969978576 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.2715928131800143 Energy: 1.272346157262439 Energy: 1.2945038119810512 Energy: 1.2723461572620267 Energy: 1.2815385658217175 Energy: 1.3791920371002437 Energy: 1.2862240124237474 Energy: 1.3791920370996131 Energy: 1.2877850269051638 Energy: 1.3692283137025179 Energy: 1.2730150281830253 Energy: 1.3692283137025179 Energy: 1.2782851276840452 Energy: 1.288853265503755 Energy: 1.2885192543000805 Energy: 1.2888532655031244 Energy: 1.2881129755274439 Energy: 1.2894732418247978 Energy: 1.2758990485481774 Energy: 1.289473241824361 Energy: 1.2887318530564407 Energy: 1.375338626181781 Energy: 1.2766897068552856 Energy: 1.375338626181781 Energy: 1.2722157182692992 Energy: 1.3689380936908928 Energy: 1.2880608309369903 Energy: 1.3689380936902622 Energy: 1.2858783000048466 Energy: 1.2889998774165974 Energy: 1.2810399444982523 Energy: 1.2889998774170341 Energy: 1.2819782213357607 Energy: 1.2878949230255097 Energy: 1.287253222215873 Energy: 1.287894923025728 minimum gb energy = 1.2715928131800143 eV minimum distance = 2.5917796783326 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.7738951762651087 Energy: 1.1886078202859687 Energy: 1.4295158939458648 Energy: 1.1886078202853767 Energy: 1.2425778644537564 Energy: 1.221321810120832 Energy: 1.4406029809615013 Energy: 1.221321810121424 Energy: 1.4365206260671979 Energy: 1.3121610963193813 Energy: 1.4404756904640645 Energy: 1.3121610963193813 Energy: 1.2429606576950871 Energy: 1.2157169633387017 Energy: 1.426042927259512 Energy: 1.2157169633387017 Energy: 1.4251408418933589 Energy: 1.2159149058911034 Energy: 1.4347267693679235 Energy: 1.2159149058899195 Energy: 1.215639526367275 Energy: 1.2162613319505602 Energy: 1.4341158337217144 Energy: 1.2162613319511522 Energy: 1.216260002781807 Energy: 1.2153978479518526 Energy: 1.427290525856672 Energy: 1.2153978479518526 Energy: 1.2282592728058892 Energy: 1.2211135409774212 Energy: 1.6067648576722364 Energy: 1.2211135409774212 Energy: 1.247757745290576 Energy: 1.2561982284836477 Energy: 1.606092621731751 Energy: 1.2561982284830557 Energy: 1.4363920181270255 Energy: 1.1904688186132348 Energy: 1.1912566570075094 Energy: 1.1904688186132348 Energy: 1.2457691638209296 Energy: 1.1903404458037465 Energy: 1.1914736993430624 Energy: 1.1903404458049305 Energy: 1.6038960985868074 Energy: 1.1890976989743813 Energy: 1.1903404779603768 Energy: 1.1890976989743813 Energy: 1.6043041967425737 Energy: 1.1899528867758182 Energy: 1.190483120097496 Energy: 1.1899528867740425 Energy: 1.243284915200777 Energy: 1.2545801062883 Energy: 1.4370547106105818 Energy: 1.254580106289484 Energy: 1.2164331367351067 Energy: 1.2165069841124063 Energy: 1.4345183876155856 Energy: 1.2165069841141825 Energy: 1.2209342560464265 Energy: 1.218873134685469 Energy: 1.42559701727575 Energy: 1.218873134685469 Energy: 1.2162333798192804 Energy: 1.215858441777472 Energy: 1.2403918600869455 Energy: 1.215858441777472 Energy: 1.4287682483180597 Energy: 1.2254915666678106 Energy: 1.2428123829351363 Energy: 1.2254915666678106 Energy: 1.4403870585256613 Energy: 1.312975232006079 Energy: 1.4381548261474253 Energy: 1.3129752320054868 Energy: 1.4277261421344674 Energy: 1.2154996993766873 Energy: 1.2406465856118374 Energy: 1.2154996993766873 Energy: 1.4339947123993413 Energy: 1.216826238581344 Energy: 1.4263814890633593 Energy: 1.216826238581344 Energy: 1.435392130606988 Energy: 1.2157868991312646 Energy: 1.2162705070568645 Energy: 1.2157868991312646 Energy: 1.4258569604562528 Energy: 1.2158249072228993 Energy: 1.2172425734817247 Energy: 1.2158249072234915 Energy: 1.6070923825703114 Energy: 1.2198853611846432 Energy: 1.2216386556161745 Energy: 1.2198853611846432 Energy: 1.6062289561798042 Energy: 1.2547967711659327 Energy: 1.2453693124830691 Energy: 1.2547967711665247 Energy: 1.1902353074342389 Energy: 1.190738549496315 Energy: 1.436527163161823 Energy: 1.190738549495723 Energy: 1.191477985370809 Energy: 1.1905648773273743 Energy: 1.2479519781902249 Energy: 1.1905648773273743 Energy: 1.1908380703248078 Energy: 1.1897682336559336 Energy: 1.2627442755577345 Energy: 1.1897682336565258 Energy: 1.1899175863324352 Energy: 1.1905043851580583 Energy: 1.6042230867154637 Energy: 1.1905043851574664 Energy: 1.4349540060302084 Energy: 1.2540577563130753 Energy: 1.2432773308419913 Energy: 1.2540577563124833 Energy: 1.4366092024551682 Energy: 1.217745148263714 Energy: 1.2184136629129658 Energy: 1.217745148263714 Energy: 1.4252691938674893 Energy: 1.2172762696668276 Energy: 1.217863425609716 Energy: 1.2172762696668276 Energy: 1.2419706532743948 Energy: 1.2156910106682388 Energy: 1.215801902132829 Energy: 1.215691010667647 minimum gb energy = 1.1886078202853767 eV minimum distance = 2.56750342788218 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.640366867421856 Energy: 1.1405864266930732 Energy: 1.3927833864926744 Energy: 1.1405864266922547 Energy: 1.3157657102930023 Energy: 1.168809979244508 Energy: 1.471403840867652 Energy: 1.1688099792436895 Energy: 1.3511038609954218 Energy: 1.2895705997387945 Energy: 1.4730402911234872 Energy: 1.2895705997371574 Energy: 1.3293183710737246 Energy: 1.2890552401266833 Energy: 1.457432541475832 Energy: 1.2890552401275017 Energy: 1.335000686795333 Energy: 1.1750478304236194 Energy: 1.3330489958880878 Energy: 1.1750478304236194 Energy: 1.1749178933875706 Energy: 1.1751192532330341 Energy: 1.3327608052245827 Energy: 1.1751192532322154 Energy: 1.174750511216124 Energy: 1.1743434360747818 Energy: 1.4587826531179837 Energy: 1.1743434360747818 Energy: 1.1817805069482614 Energy: 1.1807003236771265 Energy: 1.5829607027889354 Energy: 1.180700323676308 Energy: 1.1840115366033075 Energy: 1.2337045514965812 Energy: 1.5824733101293638 Energy: 1.2337045514965812 Energy: 1.5749719878652888 Energy: 1.1249700733367447 Energy: 1.2734362629066802 Energy: 1.1249700733310146 Energy: 1.1868933144181242 Energy: 1.1225417996586724 Energy: 1.2737512059063214 Energy: 1.1225417996586724 Energy: 1.7010848003931245 Energy: 1.121819858151468 Energy: 1.272046465295199 Energy: 1.1218198581522865 Energy: 1.7014867369856719 Energy: 1.1224325801024004 Energy: 1.2725770321305439 Energy: 1.1224325801024004 Energy: 1.1840877305647528 Energy: 1.2458807674157875 Energy: 1.563428359969377 Energy: 1.2458807674157875 Energy: 1.3310497457128838 Energy: 1.2428301101567547 Energy: 1.5632038815691798 Energy: 1.2428301101575734 Energy: 1.3287059884802837 Energy: 1.3876785180335527 Energy: 1.4591194088117891 Energy: 1.3876785180335527 Energy: 1.1759717458161307 Energy: 1.175079735144906 Energy: 1.3348500731858417 Energy: 1.1750797351440876 Energy: 1.1783975389832173 Energy: 1.1831136283313881 Energy: 1.3205432217029967 Energy: 1.1831136283313881 Energy: 1.1747074831422504 Energy: 1.174026477556603 Energy: 1.5824077327072728 Energy: 1.174026477556603 Energy: 1.1760734956242602 Energy: 1.1827848967396755 Energy: 1.582805405961662 Energy: 1.1827848967396755 Energy: 1.575324045417857 Energy: 1.1658829090513674 Energy: 1.457492841241104 Energy: 1.1658829090513674 Energy: 1.5758888306654666 Energy: 1.1673710278628417 Energy: 1.170039198578774 Energy: 1.1673710278628417 Energy: 1.3344186891396408 Energy: 1.1649663950565334 Energy: 1.1669774765623668 Energy: 1.1649663950565334 Energy: 1.5809055879008274 Energy: 1.1643469636906305 Energy: 1.1646439770617159 Energy: 1.1643469636906305 minimum gb energy = 1.121819858151468 eV minimum distance = 2.55495526390106 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 1.2746995264269607 Energy: 1.1081857894914056 Energy: 1.371620808146849 Energy: 1.1081857894908995 Energy: 1.1486462702079985 Energy: 1.1331245136624704 Energy: 1.3191044828655025 Energy: 1.1331245136624704 Energy: 1.4828293736012261 Energy: 1.1269692363731854 Energy: 1.322997306904785 Energy: 1.1269692363731854 Energy: 1.4779345399833148 Energy: 1.1906895191978335 Energy: 1.3132603251823551 Energy: 1.1906895191993512 Energy: 1.2937639997345443 Energy: 1.1081196074961421 Energy: 1.369747345139511 Energy: 1.108119607495636 Energy: 1.1088384084073508 Energy: 1.1076308084579491 Energy: 1.487571780267618 Energy: 1.1076308084579491 Energy: 1.1086271319401408 Energy: 1.1075367127851914 Energy: 1.1482542953675567 Energy: 1.1075367127856972 Energy: 1.109980301924439 Energy: 1.1078650365090696 Energy: 1.2597204960351236 Energy: 1.1078650365095757 Energy: 1.4940360428943196 Energy: 1.1073013248819878 Energy: 1.4841093379874364 Energy: 1.1073013248814818 Energy: 1.3244599941626038 Energy: 1.1943095575014313 Energy: 1.3144933726046895 Energy: 1.194309557502949 Energy: 1.490743100303172 Energy: 1.1266139810378661 Energy: 1.1448377876258033 Energy: 1.1266139810373603 Energy: 1.4874060153176654 Energy: 1.1271604969934836 Energy: 1.315289848657227 Energy: 1.12716049699399 Energy: 1.3704287789215714 Energy: 1.1262208537596152 Energy: 1.1270609428711562 Energy: 1.1262208537586034 Energy: 1.3233194727702744 Energy: 1.1278473910016606 Energy: 1.129423803267557 Energy: 1.1278473910016606 Energy: 1.4763425717580947 Energy: 1.1307603490894995 Energy: 1.13292234292754 Energy: 1.1307603490894995 Energy: 1.4958964240642008 Energy: 1.1278918698401001 Energy: 1.1294026303398117 Energy: 1.1278918698401001 Energy: 1.1277825839695552 Energy: 1.1318264775549793 Energy: 1.363871832608759 Energy: 1.1318264775544733 Energy: 1.1273193768728802 Energy: 1.1267003378222868 Energy: 1.4941822322713767 Energy: 1.126700337820769 Energy: 1.1291731192341528 Energy: 1.1312461896851078 Energy: 1.3172388383098534 Energy: 1.1312461896846018 Energy: 1.1297542813292771 Energy: 1.127233136639655 Energy: 1.245279749107754 Energy: 1.1272331366426906 Energy: 1.3209256418825113 Energy: 1.130329435817319 Energy: 1.2952755203523867 Energy: 1.130329435817319 Energy: 1.3216287031699097 Energy: 1.1325844300812746 Energy: 1.4853521742661666 Energy: 1.1325844300610375 Energy: 1.3138385798285768 Energy: 1.1881537783092013 Energy: 1.4772323940718197 Energy: 1.1881537783102132 Energy: 1.362381637096983 Energy: 1.108809607385521 Energy: 1.2938175344847838 Energy: 1.1088096073905802 Energy: 1.4878145745479396 Energy: 1.1079248429143178 Energy: 1.108141905413212 Energy: 1.1079248429148238 Energy: 1.314033051534276 Energy: 1.1084444311594832 Energy: 1.1094022939193358 Energy: 1.1084444311589774 Energy: 1.2452161776910742 Energy: 1.107475578143485 Energy: 1.1088622378595707 Energy: 1.107475578143485 Energy: 1.316858636841447 Energy: 1.1083466141471718 Energy: 1.4893003434016792 Energy: 1.1083466141471718 Energy: 1.3170618382193597 Energy: 1.1902629260398603 Energy: 1.322723871715544 Energy: 1.1902629260398603 Energy: 1.1457770154969082 Energy: 1.1270091950392693 Energy: 1.4895543473162258 Energy: 1.1270091950382575 Energy: 1.3137812239390336 Energy: 1.1264506996187935 Energy: 1.487433101642775 Energy: 1.1264506996182875 Energy: 1.1270767341460801 Energy: 1.1262837321471937 Energy: 1.4878917727350143 Energy: 1.1262837321476995 Energy: 1.1275013441698754 Energy: 1.126832101546083 Energy: 1.3244030061600733 Energy: 1.126832101545577 Energy: 1.1328950446809614 Energy: 1.1326039203390739 Energy: 1.4763571228391894 Energy: 1.1326039203400855 Energy: 1.3291985814158067 Energy: 1.1631762153051104 Energy: 1.4956601273112093 Energy: 1.1631762153056164 Energy: 1.3632657715579617 Energy: 1.1283161957632457 Energy: 1.1276772660184646 Energy: 1.1283161957632457 Energy: 1.4929521815153173 Energy: 1.1263510797761354 Energy: 1.1266662724149272 Energy: 1.1263510797761354 Energy: 1.4825802238077366 Energy: 1.1279190731512971 Energy: 1.1297512564765506 Energy: 1.1279190731512971 minimum gb energy = 1.1073013248814818 eV minimum distance = 2.56753440121928 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 2.2272075033710523 Energy: 1.0263358334839385 Energy: 1.0354705867992817 Energy: 1.0263358334839385 Energy: 1.02573213585373 Energy: 1.1337257016504665 Energy: 1.0383883364257378 Energy: 1.1337257016506017 Energy: 1.030767928214926 Energy: 1.1339643457891653 Energy: 1.0355802305913733 Energy: 1.1339643457891653 Energy: 1.0272592931728204 Energy: 1.124940941597633 Energy: 1.0317199973799895 Energy: 1.1249409415979035 Energy: 1.031272140115685 Energy: 1.0341539113058025 Energy: 1.0453273574041113 Energy: 1.034153911305938 Energy: 1.0351271242597888 Energy: 1.0313443313162813 Energy: 1.0446793898852393 Energy: 1.0313443313164168 Energy: 1.0316714908283184 Energy: 1.0301881816873628 Energy: 1.0330942760260018 Energy: 1.0301881816873628 Energy: 1.0308758924240276 Energy: 1.0324902566063703 Energy: 1.026086164028534 Energy: 1.0324902566072882 Energy: 1.0338144896983472 Energy: 1.0299373151094522 Energy: 1.02515844001645 Energy: 1.0299373151093167 Energy: 1.0346148565396225 Energy: 1.1246762621639803 Energy: 1.0342532459419445 Energy: 1.1246762621643713 Energy: 1.0332912099629061 Energy: 1.1233619264620436 Energy: 1.0247839829656593 Energy: 1.1233619264616526 Energy: 1.0282474252898983 Energy: 1.0303023586413607 Energy: 1.033033766060442 Energy: 1.0303023586410898 Energy: 1.0460374967852764 Energy: 1.033745118274536 Energy: 1.0311724102285638 Energy: 1.033745118274416 Energy: 1.0323364964835444 Energy: 1.0293780255327107 Energy: 1.0299776628674224 Energy: 1.0293780255325908 Energy: 1.0406436979251668 Energy: 1.0335130515694215 Energy: 1.0366922138865913 Energy: 1.0335130515700834 minimum gb energy = 1.0247839829656593 eV minimum distance = 2.59512871554575 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.9497298718480134 Energy: 0.9443564484286798 Energy: 1.2339706613333694 Energy: 0.944356448428125 Energy: 0.9553748116064463 Energy: 0.9512788012713566 Energy: 1.1597350141162044 Energy: 0.9512788012708017 Energy: 0.955269075913605 Energy: 0.9491294273367075 Energy: 1.1632647797568527 Energy: 0.9491294273367075 Energy: 1.3583310387256007 Energy: 0.9479730503312864 Energy: 1.1615310401535663 Energy: 0.9479730503307316 Energy: 1.1644529467319868 Energy: 0.9513850821813827 Energy: 1.1632971723845142 Energy: 0.9513850821786085 Energy: 1.1632872384368622 Energy: 0.950646514216697 Energy: 1.1600704854017405 Energy: 0.950646514216697 Energy: 1.1629080845437212 Energy: 0.9494725581704208 Energy: 1.1595605226479004 Energy: 0.9494725581698661 Energy: 1.16131162718464 Energy: 0.9490190745138587 Energy: 1.1602177258721098 Energy: 0.949019074512749 Energy: 0.9487160527762557 Energy: 0.9476603251464678 Energy: 1.1645199540721223 Energy: 0.9476603251409194 Energy: 0.9487309786222067 Energy: 0.9481706547694775 Energy: 1.1643787872874245 Energy: 0.9481706547705872 Energy: 0.950663910571259 Energy: 0.9485062619648428 Energy: 0.9583834517551594 Energy: 0.9485062619631782 Energy: 1.1602231629577786 Energy: 1.0040802804943714 Energy: 1.1630170787152003 Energy: 1.0040802804943714 Energy: 1.1653355937139567 Energy: 1.003261518656985 Energy: 1.1585686597297626 Energy: 1.0032615186553204 Energy: 1.162009860310391 Energy: 1.003428694074556 Energy: 1.3587489592828765 Energy: 1.0034286940784398 Energy: 1.1611227623187137 Energy: 0.949108321361154 Energy: 1.1626799580538358 Energy: 0.9491083213655926 Energy: 1.1611071439097405 Energy: 0.951558049589828 Energy: 0.9579415895350497 Energy: 0.9515580495887185 Energy: 1.1589008896151503 Energy: 0.9497858007140013 Energy: 0.9497171609259637 Energy: 0.9497858007173303 Energy: 0.9618570195036548 Energy: 0.9492391984528138 Energy: 0.9513980261167387 Energy: 0.9492391984500396 Energy: 1.357498663954571 Energy: 0.9477164964644027 Energy: 1.158024133532713 Energy: 0.9477164964655126 Energy: 1.1643387069037643 Energy: 0.948185368427424 Energy: 1.1645343099185044 Energy: 0.9481853684290885 Energy: 1.4493695146934562 Energy: 0.9487069341764609 Energy: 1.1584950099938878 Energy: 0.9487069341770157 Energy: 1.1639022510946024 Energy: 0.9492693891196751 Energy: 1.1592654849619155 Energy: 0.9492693891207848 Energy: 1.1580492277205265 Energy: 0.9487210582757041 Energy: 1.1643429220859303 Energy: 0.9487210582723752 Energy: 0.9547527185093033 Energy: 0.9481092139028594 Energy: 1.160939634320773 Energy: 0.9481092139045239 Energy: 1.1589205728713972 Energy: 0.948374728821912 Energy: 1.1609145058618087 Energy: 0.9483747288213571 Energy: 0.9496608696647121 Energy: 0.9485152210958994 Energy: 1.1611112259425378 Energy: 0.9485152210953445 Energy: 0.9485827883707597 Energy: 0.9479061563728155 Energy: 1.1617069390470816 Energy: 0.9479061563744801 Energy: 0.9487336680820836 Energy: 0.9479569844219875 Energy: 0.9627177820871452 Energy: 0.9479569844230719 Energy: 1.1578753230174517 Energy: 0.9489988781869654 Energy: 1.3582198314681766 Energy: 0.9489988781858556 Energy: 1.1655608691042345 Energy: 1.0034584621490459 Energy: 1.1579375191717836 Energy: 1.0034584621484912 Energy: 1.159354010602741 Energy: 1.0053383428846194 Energy: 1.3594173050185983 Energy: 1.0053383428862839 Energy: 1.1609488322157422 Energy: 0.9505287389380234 Energy: 1.1575591721641882 Energy: 0.9505287389402427 Energy: 1.1608379230599701 Energy: 0.947965055745454 Energy: 0.9483968502916346 Energy: 0.9479650557432345 Energy: 1.366369456522796 Energy: 0.9482440457813317 Energy: 0.9490451812925339 Energy: 0.9482440457791124 Energy: 1.357787570754821 Energy: 0.9483158001228668 Energy: 0.9494673795259293 Energy: 0.9483158001239764 minimum gb energy = 0.944356448428125 eV minimum distance = 2.58868143445485 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.7108714932262934 Energy: 0.860352644529501 Energy: 0.8605511011588821 Energy: 0.860352644529501 Energy: 0.8550669931997457 Energy: 0.8576311948326358 Energy: 1.2089558844866248 Energy: 0.8576311948326358 Energy: 1.5562627584492417 Energy: 0.857958382402106 Energy: 1.2156829631262633 Energy: 0.857958382402106 Energy: 1.5538567803345844 Energy: 0.9607691259399297 Energy: 0.8715346032713748 Energy: 0.960769125938975 Energy: 0.8697444536783896 Energy: 0.9612849220142579 Energy: 1.2139407217968197 Energy: 0.9612849220142579 Energy: 0.8562165876226254 Energy: 0.8588255296076407 Energy: 0.8568228486726364 Energy: 0.8588255296076407 Energy: 0.8559466093565311 Energy: 0.8573134965833361 Energy: 1.210607295707331 Energy: 0.8573134965833361 Energy: 0.8678815367135038 Energy: 0.8600435707524031 Energy: 1.2065874636602394 Energy: 0.8600435707533577 Energy: 0.8585123234577151 Energy: 0.8574348917615806 Energy: 1.2061240076863864 Energy: 0.8574348917625352 Energy: 0.8572582551254143 Energy: 0.8582615203251983 Energy: 1.0559553933128154 Energy: 0.8582615203251983 Energy: 0.8605511022542682 Energy: 0.860352644529501 Energy: 1.7108714932272482 Energy: 0.860352644529501 Energy: 1.2089558844866248 Energy: 0.8576311948326358 Energy: 1.0560411288644544 Energy: 0.8576311948326358 Energy: 1.215682963125309 Energy: 0.857958382402106 Energy: 1.5562627584501962 Energy: 0.8579583824011515 Energy: 0.8715346032723077 Energy: 0.960769125938975 Energy: 1.5538567803326753 Energy: 0.960769125938975 Energy: 1.2139407217977745 Energy: 0.9612849220142579 Energy: 0.8697444536812533 Energy: 0.9612849220142579 Energy: 1.0541440482266575 Energy: 0.858825529606686 Energy: 0.8562165876216707 Energy: 0.8588255296076407 Energy: 1.2106072957082856 Energy: 0.8573134965833361 Energy: 0.8559466093574857 Energy: 0.8573134965833361 Energy: 1.206587463654512 Energy: 0.8600435707524031 Energy: 0.8678815367135038 Energy: 0.8600435707533577 Energy: 1.206124007687341 Energy: 0.8574348917634899 Energy: 0.8585123234577151 Energy: 0.8574348917625352 Energy: 0.855067007827977 Energy: 0.8582615203261528 Energy: 0.8572582551244597 Energy: 0.8582615203251983 minimum gb energy = 0.8550669931997457 eV minimum distance = 2.59405375270587 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 1.7310417740226738 Energy: 0.7525276210414946 Energy: 0.7539704315928063 Energy: 0.7525276210414946 Energy: 1.451887100609648 Energy: 0.754743224981331 Energy: 1.0444188798716245 Energy: 0.754743224981331 Energy: 1.7038002547761257 Energy: 0.7531295243095025 Energy: 1.0476112865975213 Energy: 0.753129524308757 Energy: 1.4508862239818507 Energy: 0.7559769204961754 Energy: 1.2356001753504133 Energy: 0.7559769204969208 Energy: 1.3274964942032679 Energy: 0.8395835677560379 Energy: 1.5777228503949723 Energy: 0.8395835677567833 Energy: 1.45333908723796 Energy: 0.8377508841652732 Energy: 1.5775899931253587 Energy: 0.8377508841660186 Energy: 1.4508847302991843 Energy: 0.7469937044244583 Energy: 1.3281730776919556 Energy: 0.7469937044296762 Energy: 1.0313599691116264 Energy: 0.7442193013793054 Energy: 1.695105789300697 Energy: 0.7442193013778143 Energy: 1.0342175718870872 Energy: 0.744670053665406 Energy: 1.3251031613455653 Energy: 0.7446700536661514 Energy: 1.030621248206767 Energy: 0.745393942017601 Energy: 1.8163804571829059 Energy: 0.7453939420168556 Energy: 0.8967366468525302 Energy: 0.7440007008780801 Energy: 1.9019198514418663 Energy: 0.7440007008788255 Energy: 0.8956043038912589 Energy: 0.7455072423262202 Energy: 1.81613390400062 Energy: 0.7455072423262202 Energy: 0.8968707335957753 Energy: 0.7451245953344776 Energy: 1.3253195030332505 Energy: 0.7451245953344776 Energy: 0.9060129580770266 Energy: 0.7448837919977236 Energy: 1.812677060140921 Energy: 0.7448837919977236 Energy: 1.1879163325370212 Energy: 0.7426102055335677 Energy: 1.3294048168704482 Energy: 0.742610205534313 Energy: 1.1858668727236317 Energy: 0.7437124130105258 Energy: 1.7022280112425832 Energy: 0.7437124130112711 Energy: 1.3276185744393496 Energy: 0.7459398873608278 Energy: 1.7021697704702874 Energy: 0.7459398873571007 Energy: 1.1828050421003844 Energy: 0.8274734965961245 Energy: 1.324870813763262 Energy: 0.827473496595379 Energy: 1.5671553696828167 Energy: 0.8271139922389816 Energy: 1.456762854814088 Energy: 0.8271139922374908 Energy: 1.3284480045194405 Energy: 0.826918164548644 Energy: 1.4539103278196461 Energy: 0.8269181645501348 Energy: 1.6956617036902712 Energy: 0.8267709677005048 Energy: 1.0408653708271605 Energy: 0.8267709676945416 Energy: 1.5822167802646205 Energy: 0.7520629410137358 Energy: 0.901580807352302 Energy: 0.7520629410129905 Energy: 1.456588832974803 Energy: 0.7530938944821353 Energy: 1.0408253628171793 Energy: 0.75309389448139 Energy: 1.6953162968105 Energy: 0.7531501919404997 Energy: 0.7535093959640372 Energy: 0.7531501919397542 Energy: 1.329246705288543 Energy: 0.7529045873499186 Energy: 0.7553732726933201 Energy: 0.7529045873484279 Energy: 1.7049297684847204 Energy: 0.7577089513916044 Energy: 0.7534574866767547 Energy: 0.7577089513893682 minimum gb energy = 0.7426102055335677 eV minimum distance = 2.58485614442189 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 2.0087353917148127 Energy: 0.6646207661493726 Energy: 0.9914868755660677 Energy: 0.6646207661487614 Energy: 1.5785721229298215 Energy: 0.6614571524589606 Energy: 0.9074202407003235 Energy: 0.6614571524577384 Energy: 1.9836872955056941 Energy: 0.6626264102461892 Energy: 0.9125388808917444 Energy: 0.6626264102461892 Energy: 1.5766875320814326 Energy: 0.6631622552080837 Energy: 1.1625268633131318 Energy: 0.6631622552074726 Energy: 1.5844358249833477 Energy: 0.6609998088789819 Energy: 1.3704706656965573 Energy: 0.6609998088795653 Energy: 1.5812012869249834 Energy: 0.6632378740047478 Energy: 1.3675716961479707 Energy: 0.6632378740713311 Energy: 1.5853957475172704 Energy: 0.7348897884025787 Energy: 1.5837377290725796 Energy: 0.7348897884031897 Energy: 1.374562646262229 Energy: 0.7319868266619993 Energy: 1.3722028280996776 Energy: 0.7319868266613881 Energy: 1.1533402594400501 Energy: 0.6628136432362814 Energy: 1.7834427426988178 Energy: 0.6628136432350592 Energy: 1.1519234564680698 Energy: 0.6612749963356067 Energy: 1.585223561036829 Energy: 0.6612749963374402 Energy: 0.9088502593864639 Energy: 0.6656470379301024 Energy: 1.5824182873914758 Energy: 0.6656470379294913 Energy: 0.9094485390716821 Energy: 0.6615284103025598 Energy: 1.585027489403815 Energy: 0.661528410303782 Energy: 0.9073805901596532 Energy: 0.66278092077223 Energy: 1.7804501092519553 Energy: 0.6627809207716189 Energy: 0.6659449180724172 Energy: 0.6637527682575316 Energy: 1.7778610852770724 Energy: 0.6637527682587537 Energy: 0.6627190549965777 Energy: 0.6626967917691863 Energy: 1.5843007977607289 Energy: 0.6626967917697973 Energy: 0.6632895806752083 Energy: 0.6618638708210622 Energy: 1.9862880608884463 Energy: 0.6618638708210622 Energy: 0.910462482629395 Energy: 0.6621037898306098 Energy: 1.9763056070884013 Energy: 0.662103789831832 Energy: 0.9107997714201412 Energy: 0.6618404886978866 Energy: 1.585982062473551 Energy: 0.6618404886978866 Energy: 0.9099966889196245 Energy: 0.6635470782645341 Energy: 1.5828859830542827 Energy: 0.6635470782639229 Energy: 1.3674470319902763 Energy: 0.6621567145848912 Energy: 1.5808188168023394 Energy: 0.6621567145855024 Energy: 1.3664210626858726 Energy: 0.6622601385581038 Energy: 1.5855848577406537 Energy: 0.6622601385581038 Energy: 1.3683334439343289 Energy: 0.7310434181133882 Energy: 1.5877752854582674 Energy: 0.7310434181139992 Energy: 1.7818876348631232 Energy: 0.7316900096372918 Energy: 1.579291212993171 Energy: 0.7316900096366807 Energy: 1.3722466386963705 Energy: 0.7318524037472832 Energy: 1.3671566577971845 Energy: 0.731852403746672 Energy: 1.58482008826817 Energy: 0.6619892772299786 Energy: 1.1586461637957448 Energy: 0.6619892772293674 Energy: 1.7842651033387475 Energy: 0.6616301876297627 Energy: 1.3658546594203416 Energy: 0.6616301876279294 Energy: 1.778264698747908 Energy: 0.6641135760470245 Energy: 0.9092053828848197 Energy: 0.6641135760476355 Energy: 1.583742032299526 Energy: 0.6620722007465459 Energy: 0.9108926197081798 Energy: 0.6620722007465459 Energy: 1.7778209215607967 Energy: 0.6641710613276651 Energy: 0.9138912575933157 Energy: 0.6641710613288873 Energy: 1.783242565601043 Energy: 0.6625395296107777 Energy: 0.6640026123677999 Energy: 0.6625395296107777 Energy: 1.5835158713870392 Energy: 0.6624951774014609 Energy: 0.6619637973500786 Energy: 0.6624951774008498 Energy: 1.9762106215028288 Energy: 0.6632739825857247 Energy: 0.6648504165796215 Energy: 0.6632739825857247 minimum gb energy = 0.6609998088789819 eV minimum distance = 2.60160039875739 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.767385236682568 Energy: 0.6024763182971258 Energy: 0.933432326177725 Energy: 0.6024763182966081 Energy: 1.7517370374329297 Energy: 0.6003920144317507 Energy: 0.8102147299886622 Energy: 0.6003920144307153 Energy: 2.0945295607363024 Energy: 0.6015682573523118 Energy: 0.8106281668256432 Energy: 0.6015682573543826 Energy: 1.7627989580976453 Energy: 0.6016961698662467 Energy: 1.214574176197383 Energy: 0.6016961698677998 Energy: 1.756350360036982 Energy: 0.5988550416905306 Energy: 1.2107422626302211 Energy: 0.5988550416822475 Energy: 1.7564021820501752 Energy: 0.5998967898161346 Energy: 1.2069950433188843 Energy: 0.5998967898156169 Energy: 1.3954935111712627 Energy: 0.6010214479509163 Energy: 1.5739830517888012 Energy: 0.6010214479581641 Energy: 1.5769703726383741 Energy: 0.6641581815984361 Energy: 1.2128342054292989 Energy: 0.6641581816015422 Energy: 1.3946689565685186 Energy: 0.6593129691592279 Energy: 1.5721244299121904 Energy: 0.6593129691581926 Energy: 1.3928431342508023 Energy: 0.6590073896922822 Energy: 1.7583394745877468 Energy: 0.6590073896912467 Energy: 1.2133435714348701 Energy: 0.6026925116630085 Energy: 1.571490319133998 Energy: 0.6026925116624908 Energy: 1.0235538582997445 Energy: 0.5987029085135962 Energy: 1.9238562714883212 Energy: 0.5987029085322098 Energy: 1.2084967954474444 Energy: 0.6006996274161622 Energy: 1.9251409828915447 Energy: 0.6006996274171976 Energy: 0.8179805308258674 Energy: 0.6015459901572572 Energy: 1.5798755257921595 Energy: 0.6015459901541746 Energy: 0.812614230806052 Energy: 0.59934636038393 Energy: 1.756161490857704 Energy: 0.5993463603844477 Energy: 0.8139249315553243 Energy: 0.6011251416041644 Energy: 1.9260479229637806 Energy: 0.6011251416088237 Energy: 0.6025170070403757 Energy: 0.6002436734079049 Energy: 1.9301881559227638 Energy: 0.6002436734068693 Energy: 0.599541151677078 Energy: 0.599455347609374 Energy: 1.756090370128544 Energy: 0.599455347609374 Energy: 0.6015031022176519 Energy: 0.6000056056452978 Energy: 1.7572088389791 Energy: 0.60000560564478 Energy: 0.817675446859963 Energy: 0.6007621372467357 Energy: 2.099472953016906 Energy: 0.6007621372482889 Energy: 0.8139495392149256 Energy: 0.599426106687025 Energy: 1.7559327250877306 Energy: 0.5994261066890959 Energy: 0.8167947033915149 Energy: 0.6008910495389764 Energy: 1.7607747342133233 Energy: 0.6008910495384586 Energy: 1.2072224295475793 Energy: 0.6015122642366646 Energy: 1.7533053056451184 Energy: 0.6015122642392294 Energy: 1.2110682249784552 Energy: 0.5989705233720776 Energy: 1.7586948704070935 Energy: 0.598970523373113 Energy: 1.2133275099884544 Energy: 0.6018965121964824 Energy: 1.3995130237610651 Energy: 0.6018965121985533 Energy: 1.5754956207977482 Energy: 0.6587393257432684 Energy: 1.7583799461933765 Energy: 0.6587393257391269 Energy: 1.2091554205638195 Energy: 0.6595978627755239 Energy: 1.5737153334877267 Energy: 0.6595978627703469 Energy: 1.5791584175433402 Energy: 0.6641531408231113 Energy: 1.3999493338107494 Energy: 0.6641531408225936 Energy: 1.5760352400318953 Energy: 0.6008003849186448 Energy: 1.573191247279046 Energy: 0.6008003849031374 Energy: 1.5749255884011761 Energy: 0.6002168675761157 Energy: 1.2085184557536852 Energy: 0.6002168675781866 Energy: 1.7554085437826858 Energy: 0.5988807354646507 Energy: 1.0234538718352202 Energy: 0.598880735464133 Energy: 1.5791051728245507 Energy: 0.6010108527086953 Energy: 1.2135771956084431 Energy: 0.6010108527061067 Energy: 1.9262410782476296 Energy: 0.6020603626118054 Energy: 0.8106226021812373 Energy: 0.6020603626118054 Energy: 1.9233730058724205 Energy: 0.6015211987742963 Energy: 0.8110024624994847 Energy: 0.6015211987742963 Energy: 1.9194838421192304 Energy: 0.6013358670071443 Energy: 0.6051010902284298 Energy: 0.601335867007662 Energy: 1.9216774154420504 Energy: 0.6008666665250035 Energy: 0.6022796117507742 Energy: 0.6008666665260389 Energy: 2.0944632653397375 Energy: 0.6008828329524174 Energy: 0.6020003655564524 Energy: 0.600882832951382 minimum gb energy = 0.5987029085135962 eV minimum distance = 2.60307351237039 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 1.8993830212398366 Energy: 0.5381947771047819 Energy: 0.5389003222024783 Energy: 0.5381947771047819 Energy: 1.8695495636975108 Energy: 0.5387882637984047 Energy: 0.7256111889077641 Energy: 0.5387882637975067 Energy: 1.8699095758642006 Energy: 0.5416602247018621 Energy: 0.7258382422187991 Energy: 0.5416602247014132 Energy: 1.5537968207090962 Energy: 0.5433271005846935 Energy: 1.0762183546184767 Energy: 0.5433271005860405 Energy: 1.873588345716409 Energy: 0.5380279321171112 Energy: 1.078024319894912 Energy: 0.5380279321175602 Energy: 1.5583240316376417 Energy: 0.5395207638689491 Energy: 1.0763283634122909 Energy: 0.539520763868051 Energy: 1.555868328215607 Energy: 0.5410148235934531 Energy: 1.4025428551225676 Energy: 0.541014823589412 Energy: 1.7151908279466743 Energy: 0.5384724853201095 Energy: 1.0728086420756007 Energy: 0.5384724853237015 Energy: 1.5581348654354612 Energy: 0.5387070734457212 Energy: 1.3990692530231383 Energy: 0.5387070713431 Energy: 1.558118961075416 Energy: 0.6419992751637426 Energy: 1.713991850061112 Energy: 0.6419992751691102 Energy: 1.3995135553597395 Energy: 0.6417687760435159 Energy: 1.3971706013300096 Energy: 0.6417687760435159 Energy: 1.237226950835848 Energy: 0.538762859157597 Energy: 1.7141907125453753 Energy: 0.5387628591611889 Energy: 1.3993646605914156 Energy: 0.5384501723411786 Energy: 1.7148201145613529 Energy: 0.5384501723425256 Energy: 1.0761390782376183 Energy: 0.5403078199400774 Energy: 1.3947429309271946 Energy: 0.5403078199387303 Energy: 0.9128130798851369 Energy: 0.5382294705666729 Energy: 1.8738281838713107 Energy: 0.5382294705716119 Energy: 1.0786296027247955 Energy: 0.5398634720602083 Energy: 1.7116035770361193 Energy: 0.5398634720597594 Energy: 0.7256617370234572 Energy: 0.5404284878937119 Energy: 1.7115636026059324 Energy: 0.5404284878946098 Energy: 0.7281639746156862 Energy: 0.5389666173990745 Energy: 1.8731024379491061 Energy: 0.5389666173995237 Energy: 0.727889573957616 Energy: 0.5395920943801381 Energy: 1.869076317157056 Energy: 0.5395920943805872 Energy: 0.538521456317241 Energy: 0.5387683988820992 Energy: 1.8699111465959974 Energy: 0.5387683988825481 Energy: 0.5393017103414358 Energy: 0.5386594735551147 Energy: 1.8728424570233804 Energy: 0.5386594735555637 Energy: 0.5393850074917805 Energy: 0.5397366951174913 Energy: 1.86574155214969 Energy: 0.5397366951188384 Energy: 0.7288933482509377 Energy: 0.5389139257232186 Energy: 1.8686141254619333 Energy: 0.5389139257236676 Energy: 0.7274816625121797 Energy: 0.5384452522635084 Energy: 1.8753383586636698 Energy: 0.5384452522648554 Energy: 0.727786662915349 Energy: 0.5410456936658078 Energy: 1.5535912877987115 Energy: 0.5410456936644609 Energy: 1.0757758494091785 Energy: 0.5392215057429448 Energy: 1.8693755313021658 Energy: 0.5392215057433939 Energy: 1.0770606528329256 Energy: 0.5382614940198484 Energy: 1.8702272506641324 Energy: 0.5382614940158074 Energy: 1.0761299854462438 Energy: 0.5416175123222171 Energy: 1.5561828265289879 Energy: 0.5416175123204211 Energy: 1.399360304815051 Energy: 0.5382402375986292 Energy: 1.8740652169731493 Energy: 0.5382402375977311 Energy: 1.4006171964459833 Energy: 0.5386563819610162 Energy: 1.5590778674895176 Energy: 0.5386563819578734 Energy: 1.5648875353224367 Energy: 0.6417050687936311 Energy: 1.2341663005344605 Energy: 0.6417050687936311 Energy: 1.3973191973665484 Energy: 0.641559043024716 Energy: 1.5650243773669175 Energy: 0.64155904302292 Energy: 1.716601265631677 Energy: 0.5385391540781834 Energy: 1.2379890448893758 Energy: 0.5385391540822243 Energy: 1.8746078953412388 Energy: 0.5380734637861873 Energy: 1.2394878988499463 Energy: 0.5380734637911263 Energy: 1.394561602234036 Energy: 0.5418744530445475 Energy: 1.0760755170114111 Energy: 0.5418744530440985 Energy: 1.8737995668455898 Energy: 0.5381753546163488 Energy: 1.077461361803467 Energy: 0.5381753546158998 Energy: 1.8702553412902416 Energy: 0.5394781141381452 Energy: 1.0759937475205588 Energy: 0.5394781141381452 Energy: 1.7118188650013626 Energy: 0.5395983464317091 Energy: 0.7277657160702595 Energy: 0.5395983464321581 Energy: 1.8734490859539976 Energy: 0.5381712983181074 Energy: 0.7273258484381778 Energy: 0.5381712983185563 Energy: 1.867962831663554 Energy: 0.5402689772940259 Energy: 0.7297821380198269 Energy: 0.5402689772935767 Energy: 1.709316890475464 Energy: 0.5396478299310372 Energy: 0.5399855799509651 Energy: 0.5396478299305882 Energy: 1.8737565494141935 Energy: 0.538480640895872 Energy: 0.538876932302918 Energy: 0.538480640895872 Energy: 1.8656725472048503 Energy: 0.5390959180024486 Energy: 0.5397941733482053 Energy: 0.5390959180024486 minimum gb energy = 0.5380279321171112 eV minimum distance = 2.59747311344479 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.009586298933522017 Energy: 0.010351737909870158 Energy: 1.6512176481526046 Energy: 0.010351737909544167 Energy: 0.010244609572081982 Energy: 0.12179059311839947 Energy: 1.2775719368479435 Energy: 0.12179059311874464 Energy: 0.010106582697538202 Energy: 0.12250105541306262 Energy: 1.2761999225616276 Energy: 0.12250105541338863 Energy: 0.011078698442502343 Energy: 0.12387285082941274 Energy: 1.2780234885574029 Energy: 0.12387285082941274 Energy: 1.2772148314908682 Energy: 0.12297079790456299 Energy: 1.2774976121950727 Energy: 0.12297079790490814 Energy: 0.010038790870167742 Energy: 0.12074973358291045 Energy: 1.2755983281392567 Energy: 0.12074973358223928 minimum gb energy = 0.009586298933522017 eV minimum distance = 2.86177963766013 Angstroms sigma value = 1