Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.619999974966049 cohesive_energy=3.54027843854009 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.482639837513894e-19, 2.1870512142417e-19, 2.70541944240606e-19, 3.1307012081350197e-19, 3.4900854489075595e-19, 3.7991453216061596e-19, 4.06783034312796e-19, 4.30306191653184e-19, 4.50985485468222e-19, 4.6920223379680195e-19, 4.85257645846116e-19, 4.9939044593463e-19, 5.117832821986199e-19, 5.22516263469786e-19, 5.31821705360058e-19, 5.398550190029339e-19, 5.467075284665519e-19, 5.5245293387607595e-19, 5.57160128826768e-19, 5.608915982073539e-19, 5.637066225532919e-19, 5.656596758701379e-19, 5.66798823456912e-19, 5.67170528436e-19, 5.66771586454134e-19, 5.65486640793666e-19, 5.631570759678299e-19, 5.596002438403499e-19, 5.54595044035734e-19, 5.4788032176264e-19, 5.39138846047536e-19, 5.27994105381432e-19, 5.139814685404679e-19, 4.96536969349476e-19, 4.7497167185583595e-19, 4.4842520720709e-19, 4.1583212794162794e-19, 3.7584660568689e-19, 3.2676392450429996e-19, 2.6639711328844797e-19, 1.9190230851398397e-19, 9.95546097245214e-20, -1.5625596123710817e-20, -1.60430752892322e-19, -3.4490857488435e-19, -5.8517899380216e-19, -9.087049193291459e-19, -1.3652932164864659e-18, -2.05141094040726e-18, -3.1672789006892398e-18, -5.1613479393656395e-18, -9.12462023535876e-18, -1.7956554843218398e-17, -3.9927042807597e-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: 0.016677427969566668 Energy: 0.01698262415612839 Energy: 0.33355013923149246 Energy: 0.9326970259890093 Energy: 0.8502265112761958 Energy: 0.28668967980243776 Energy: 0.01760187270243737 Energy: 0.016953589428577095 Energy: 0.8354949021300039 Energy: 0.23425734820427807 Energy: 0.6229455128241843 Energy: 0.5663688910420271 Energy: 0.017811518552574367 Energy: 0.08778551288131894 Energy: 0.016963448907729193 Energy: 0.6777761471287372 Energy: 0.5104210966176157 Energy: 0.6231220328312509 Energy: 0.5663199801576418 Energy: 0.08653761079446146 Energy: 0.08763992970199869 Energy: 0.018888591970872153 Energy: 0.6191476780244168 Energy: 0.33324994489575843 Energy: 0.9328163549142972 Energy: 0.851102190207668 Energy: 0.08701788516379153 Energy: 0.017252394843627755 Energy: 0.5934403886279817 Energy: 0.8384334286628754 Energy: 0.2343724714164829 Energy: 0.6220827102207865 Energy: 0.6703589836257519 Energy: 0.0174205329356938 Energy: 0.08734390618499706 Energy: 0.016916775931734438 Energy: 0.5657299742540707 Energy: 0.5134554155043154 Energy: 0.8218350442756805 Energy: 0.5670903635059744 Energy: 0.08641939330639589 Energy: 0.08747601184262356 minimum gb energy = 0.016677427969566668 eV minimum distance = 2.53543870038706 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0188847953146754 Energy: 1.1100982636464374 Energy: 1.1115402382279826 Energy: 1.11358199827411 Energy: 1.0636610944210556 Energy: 1.0490360546215751 Energy: 1.105835220706893 Energy: 0.9360003072577445 Energy: 1.004974955632997 Energy: 0.9597280807645019 Energy: 1.0531641200235944 Energy: 1.0584590058079228 Energy: 0.9576427629209712 Energy: 0.9925593892229285 Energy: 1.1373146823128766 Energy: 1.1041355384087517 Energy: 1.1431561385318056 Energy: 1.012480622133198 Energy: 1.0740270611612797 Energy: 1.1404149013147749 Energy: 0.9798626343663586 Energy: 0.9614699956417421 Energy: 1.048412569551746 Energy: 0.9681038568195489 Energy: 1.0375895591892013 Energy: 1.0400814154359128 Energy: 0.9552842663882032 Energy: 0.9993314207640032 Energy: 1.0915840213911288 Energy: 0.9623180841488725 Energy: 1.0138488234206247 Energy: 1.0353052349350638 Energy: 1.0530794361491707 Energy: 1.1050164556891071 Energy: 1.0099261017554098 Energy: 1.0191464305225075 Energy: 1.0066650524277139 Energy: 1.024409708740996 Energy: 1.046118402434909 Energy: 1.0392520455389673 Energy: 1.0876585710451323 Energy: 1.0427848872504757 Energy: 1.0372114598622126 Energy: 0.9360791395435787 Energy: 0.9731647979644923 Energy: 1.0704579787995978 Energy: 1.0754672221074089 Energy: 1.0775466663720537 Energy: 0.9688219702287293 Energy: 0.9837254474255613 Energy: 0.9772107629022896 Energy: 1.040721268272689 Energy: 1.041130108769272 Energy: 1.0897289861061215 Energy: 1.0167714020835485 Energy: 0.9381891764370842 Energy: 1.0540903029264999 Energy: 1.0580761601700288 Energy: 1.046130244278469 Energy: 1.0565189460928934 Energy: 1.0633287771573168 Energy: 1.0883095885664196 Energy: 1.0424725383980258 Energy: 1.0239972424015695 Energy: 0.9973509198430733 Energy: 1.0659182505221159 Energy: 1.1407090180423625 Energy: 1.0516257059069753 Energy: 1.0399781969339252 Energy: 0.997540242399381 Energy: 0.9812175192021471 Energy: 1.0823447062710934 Energy: 1.080624823922049 Energy: 1.13618785698035 Energy: 1.0977749202818385 Energy: 0.9695527186626164 Energy: 1.0513944238988955 Energy: 1.0941394847841845 Energy: 1.0078134433482258 Energy: 1.0945766837455804 Energy: 1.0283645201095721 Energy: 1.0807115986613285 Energy: 1.0318264615197494 Energy: 1.01794643734772 Energy: 0.9963542164289118 Energy: 1.0206608509291262 Energy: 1.0150489111838121 Energy: 1.0975755757542733 Energy: 1.0672571287806842 Energy: 1.0131623618944092 Energy: 1.040342984116147 Energy: 1.029616638776036 Energy: 0.9809709694269909 Energy: 1.0841169081576858 Energy: 1.1213471274852187 Energy: 1.052815172179069 Energy: 1.0749777398823652 Energy: 1.086727956729873 Energy: 1.0350071622730401 Energy: 1.0465562005393445 Energy: 1.0065379334314306 Energy: 1.1285379997660534 Energy: 1.0669705916276087 Energy: 1.0280789056163233 Energy: 1.0206404226986594 Energy: 1.126254700801426 Energy: 1.0174587090218161 Energy: 1.1036813422490646 Energy: 1.046372700782688 Energy: 1.044510128668885 Energy: 1.1275679248318862 Energy: 1.0151745306955726 Energy: 1.003902935911491 Energy: 1.0476822720870889 Energy: 1.0054309332506552 Energy: 1.0797836455815528 Energy: 1.0224167339217847 Energy: 1.0375645957014537 Energy: 1.0746719908780105 Energy: 1.160446994696027 Energy: 0.9466057522307718 Energy: 1.0413003907670766 Energy: 0.9884451984534705 Energy: 1.0450090788813795 Energy: 1.142099604607615 Energy: 1.0867340823952125 Energy: 1.078362947042011 Energy: 0.9641328115088436 Energy: 0.9360829631392529 Energy: 1.0403463893822413 Energy: 0.9922548285777785 Energy: 1.0185398698460546 Energy: 0.9893042016746313 Energy: 1.0989127273780956 Energy: 1.0402564324708432 Energy: 1.0545743636602418 Energy: 1.0559430087494464 Energy: 1.051333120402832 Energy: 1.0796187068845071 Energy: 1.0206613954555848 Energy: 0.9643819456143966 Energy: 1.0218341818244854 Energy: 1.0056173594001052 Energy: 1.0650052186223564 Energy: 1.0909577863971596 Energy: 1.0094840576596573 Energy: 1.0957875126970287 Energy: 1.093710432154919 Energy: 1.0174035220990598 Energy: 1.1369031433530496 Energy: 1.0244463289325056 Energy: 1.1421634352863477 Energy: 1.1091214748728069 Energy: 0.9801010410277939 Energy: 0.9832168973276518 Energy: 0.9515120721272649 Energy: 0.9534466235698341 Energy: 1.107454464714018 Energy: 1.0171113184522698 Energy: 0.9466152487327443 Energy: 0.9382192083970226 Energy: 1.0140453880217535 Energy: 1.0149197005433468 Energy: 1.1192971111834864 Energy: 1.1142044882452347 Energy: 1.103035638435314 Energy: 1.0238129798962117 Energy: 1.001145832768042 Energy: 0.9350976009753666 Energy: 1.011746720555053 Energy: 1.0512742216781041 Energy: 1.0905309589325838 Energy: 1.0358697715334322 Energy: 0.9587227009145605 Energy: 0.9930715552355875 Energy: 1.056443679594508 Energy: 0.9936830894817602 Energy: 1.102255031859121 Energy: 1.0578692981080444 Energy: 1.0561817858980649 Energy: 1.1007121884126778 Energy: 1.0353216072144176 Energy: 0.955919143892901 Energy: 0.9771253518896506 Energy: 0.9656840187354354 Energy: 1.0723643626962696 Energy: 0.9985578100690485 Energy: 0.9670957042069076 Energy: 1.0883833941020395 Energy: 1.1567474987015605 Energy: 0.9360919853986834 Energy: 1.0126930804611056 Energy: 1.0227924876948282 Energy: 1.0254900885740148 Energy: 1.1048565403128396 Energy: 0.9655274605029585 Energy: 1.0638234170699685 Energy: 1.0332064299977217 Energy: 1.0124526070984845 Energy: 1.034996181244212 Energy: 1.0415167394426488 Energy: 1.0342125889577845 Energy: 1.0001692755004223 Energy: 1.0466075898514093 Energy: 1.008552655304577 Energy: 0.9652604081937758 Energy: 1.0722710809441431 Energy: 1.0764295891919253 Energy: 1.0755553885657483 Energy: 1.0647122254782515 Energy: 1.027873326734821 Energy: 0.9599365013363419 Energy: 1.107301893678052 Energy: 1.0476365844335465 Energy: 1.0556799823780432 Energy: 1.0691848941065236 Energy: 1.030702787252611 Energy: 1.0122680436605591 Energy: 1.0128321025600513 Energy: 1.0486349734215072 Energy: 1.0212914383265914 Energy: 1.058760531064987 Energy: 1.0081730583548085 Energy: 1.0421371094887788 Energy: 1.0230226138980558 Energy: 1.012487980556005 Energy: 1.117166272397845 Energy: 1.1412753212710334 Energy: 1.0467890994124316 Energy: 1.0388140460027497 Energy: 1.0095196776722537 Energy: 0.9804922221106178 Energy: 1.0155683165423226 Energy: 1.0449499909847317 Energy: 1.130227934114892 Energy: 1.1009839956918206 Energy: 0.9698830247892873 Energy: 1.0094054999432254 Energy: 1.0932955175435717 Energy: 0.9793690721468252 Energy: 1.0854188957396518 Energy: 1.094612223649322 Energy: 1.0721380037891408 Energy: 1.1132204690360976 Energy: 0.9969251704252302 Energy: 1.0004071905633833 Energy: 0.9901299694441743 Energy: 1.0248131769558786 Energy: 1.1054202281270102 Energy: 1.0223736815900095 Energy: 0.9883307801740956 Energy: 1.0867764650689289 Energy: 1.0318032112354 Energy: 0.9747229699960946 Energy: 1.0844172413582915 Energy: 1.0878676896064783 Energy: 1.046454884322996 Energy: 1.0876235548258006 Energy: 1.0954758197554997 Energy: 1.0239621129818433 Energy: 1.0321463580955383 Energy: 0.9625056057063673 Energy: 1.0683273069693024 Energy: 1.0276491602551219 Energy: 0.9969466771634702 Energy: 1.031185770430443 Energy: 1.1232773892254697 Energy: 1.085492084066576 Energy: 1.1045620149403519 Energy: 1.0058783932909696 Energy: 1.043049901681464 Energy: 1.088181697621478 Energy: 1.0762175366806146 Energy: 1.0046128441540467 Energy: 1.0204691283291862 Energy: 0.9980560146043415 Energy: 1.0530408226326302 Energy: 1.032696049228635 Energy: 1.0373136909336427 Energy: 1.1244239981489377 Energy: 1.1673155197227902 Energy: 0.945969623691258 Energy: 1.0581055022256132 Energy: 0.9665829368943626 Energy: 1.058396300782447 Energy: 1.1460867895415858 Energy: 1.0485733062923075 Energy: 1.0403370477330376 Energy: 1.0095703195834473 Energy: 0.9368778623976792 Energy: 1.057848204278317 Energy: 1.114844042731336 Energy: 0.9601023995483381 Energy: 1.0239936577886044 Energy: 1.0847158057022575 Energy: 0.9912373207652354 Energy: 1.053972690871848 Energy: 1.0573071589122942 Energy: 1.0169196861331373 Energy: 1.0788102828386434 Energy: 1.02799929516064 Energy: 0.9600262319426749 Energy: 0.9819889477483301 Energy: 0.9812201131635935 Energy: 1.0435826639610764 Energy: 1.101162510109718 Energy: 0.9973114654780778 Energy: 1.0191335128937704 Energy: 1.0932336548311437 Energy: 1.0492126455409783 Energy: 1.0940754817784542 Energy: 1.0447301941430587 Energy: 1.0658981891554522 Energy: 1.1434950784357791 Energy: 0.9514888158926477 Energy: 0.9865494951659544 Energy: 1.0607306024436345 Energy: 1.0336943672423111 Energy: 1.157889617501413 Energy: 1.0895279382902745 Energy: 0.944799583678522 Energy: 1.0822086278915346 Energy: 1.0103491066085635 Energy: 0.9459759871306069 Energy: 1.0654987625622125 Energy: 1.1125155718659936 Energy: 1.0750548075276423 Energy: 1.0227695658032152 Energy: 0.9914000292723998 minimum gb energy = 0.9350976009753666 eV minimum distance = 2.28720231106516 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.1070885094295313 Energy: 0.9640227533339591 Energy: 1.0884805042236299 Energy: 1.1722372030873338 Energy: 1.2582575656526003 Energy: 1.0161590543818146 Energy: 0.9606894748494825 Energy: 0.9727114166323413 Energy: 0.9908929736132307 Energy: 0.9507760544814103 Energy: 1.030123743547567 Energy: 1.0222422594989815 Energy: 1.0544465780188526 Energy: 0.9829171028083374 Energy: 1.02514158865932 Energy: 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1.0165250877223873 Energy: 1.0629015943436848 Energy: 1.0331031070985968 Energy: 1.0271914971221323 Energy: 1.0248956437164145 Energy: 0.9704643156705194 Energy: 1.121725865294689 Energy: 0.9904758018077137 Energy: 1.0988507537409968 Energy: 1.0848897148257106 Energy: 0.9992314546349191 Energy: 0.953879225354147 Energy: 0.9644462339628034 Energy: 1.0534091763847058 Energy: 1.1599106468103615 Energy: 0.9915982410723883 Energy: 1.0332768663938938 Energy: 1.0022028114231203 Energy: 0.9712291532192254 Energy: 0.9800668750103996 Energy: 0.9776185712520011 Energy: 1.1920171390473413 Energy: 1.1289096427395744 Energy: 1.006360498406231 Energy: 0.9739682846108897 Energy: 0.9700589871855098 Energy: 0.9578967529512834 Energy: 1.0637515297513356 Energy: 1.0171249767345625 Energy: 1.090398610646847 Energy: 1.0538643797386766 Energy: 0.9597739948380637 Energy: 0.976663813685742 Energy: 1.0012719085815547 Energy: 1.0401662720512108 Energy: 1.0401746156517206 Energy: 1.0466303995141484 Energy: 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0.9478595419949389 Energy: 1.1397986224366579 Energy: 1.1335071059218842 Energy: 1.1011001117735926 Energy: 1.0179759230715657 Energy: 1.009704096035083 Energy: 0.9750302368203183 Energy: 0.9888965158747808 Energy: 1.0779542432205163 Energy: 0.9876044358101023 Energy: 1.029767675633573 Energy: 1.0402834043133833 Energy: 0.9758306603211507 minimum gb energy = 0.9448141195778648 eV minimum distance = 2.25719932599367 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0518184612921821 Energy: 0.9584820013919578 Energy: 1.0913291225422015 Energy: 0.9534924189401414 Energy: 1.0484122902474498 Energy: 1.0029243104821062 Energy: 0.9567865977767552 Energy: 0.9808448843406892 Energy: 0.9683153663888847 Energy: 1.0164810513068205 Energy: 0.9871587556853054 Energy: 1.0099105961834351 Energy: 0.9628142114591981 Energy: 1.0166696183919057 Energy: 1.0423987231668865 Energy: 0.9559718472609176 Energy: 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0.9790433448899771 Energy: 1.052160815936036 Energy: 0.976086815926656 Energy: 1.1009483001307667 Energy: 1.0732141340236923 Energy: 0.9577777210434952 Energy: 0.9674339151578636 Energy: 1.0399982449115186 Energy: 0.9959669420871418 Energy: 1.0564819945578776 Energy: 1.07355582140938 Energy: 1.0092487876272205 Energy: 1.1275417121222142 Energy: 1.0159490969243148 Energy: 0.9751911670426845 Energy: 1.0118281868294299 Energy: 1.0111106593144008 Energy: 1.078257647433375 Energy: 1.058317626587066 Energy: 0.9577490952572113 Energy: 0.9659608939640426 Energy: 1.050343216826279 Energy: 0.9829742743665132 Energy: 1.024714100454475 Energy: 1.0644053666218662 Energy: 0.9632106514352843 Energy: 1.06606087444849 Energy: 1.0734571077554191 Energy: 1.0747395244742266 Energy: 0.975953917812083 Energy: 1.0491248748990138 Energy: 0.99726548374954 Energy: 1.0232821333087745 Energy: 1.000818900715739 Energy: 1.0517507183467745 Energy: 1.0481579372175311 Energy: 0.9692584171257693 Energy: 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0.8878757868430863 Energy: 0.8872042676679384 Energy: 0.9514809184772943 Energy: 0.9200717993739779 Energy: 0.885967014644371 Energy: 1.0156758889161825 Energy: 0.9984663138669201 Energy: 0.8847717699898543 Energy: 0.9129539804239305 Energy: 0.9710813562082873 Energy: 0.9872759827953453 Energy: 0.9826184428274118 Energy: 1.1229957885079365 Energy: 1.1215034397580856 Energy: 0.9154412369045036 Energy: 1.0470593777260064 Energy: 1.1105557251574913 Energy: 1.026699944779936 Energy: 1.0628621710323791 Energy: 0.9480177785040815 Energy: 1.0006861412637331 Energy: 0.9751035367274016 Energy: 1.0544860896937387 Energy: 1.0446101474472518 Energy: 1.1568171731070296 Energy: 0.9736365145080965 Energy: 0.9426984195642878 Energy: 1.0919937597346985 Energy: 1.027277560064157 Energy: 1.0241064056227267 Energy: 1.0239228120526085 Energy: 0.9875703278286242 Energy: 0.938645825742921 Energy: 0.9541468150332961 Energy: 0.9448221768458824 Energy: 1.0528704386856171 Energy: 1.0908824334134322 Energy: 1.0637294393281305 Energy: 1.0074691036575059 Energy: 1.0090551381157729 Energy: 1.0656993184009234 Energy: 1.0371586410193592 Energy: 1.0267445485831934 Energy: 1.0222741611991397 Energy: 0.9464120281230701 minimum gb energy = 0.8847717699898543 eV minimum distance = 2.31979612682824 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.0207268481517715 Energy: 1.2031823811910676 Energy: 1.1894638356749807 Energy: 1.2046671609709279 Energy: 1.110800799120923 Energy: 1.101645135151941 Energy: 1.2022876230348332 Energy: 1.2202891822457527 Energy: 1.1689499705203696 Energy: 1.1907007124343458 Energy: 1.2191317291598989 Energy: 1.1413797084405308 Energy: 1.1766345557182134 Energy: 1.1291789480464853 Energy: 1.1107374600074038 Energy: 1.021971819537636 Energy: 1.0869169068701892 Energy: 1.1831655467419833 Energy: 1.1381589376332764 Energy: 1.0835493105825227 Energy: 1.1972928284820858 Energy: 1.1093153762730008 Energy: 1.2283819511025083 Energy: 1.10879888562685 Energy: 1.1273464190928888 Energy: 1.1144832986504059 Energy: 1.1067236924322799 Energy: 1.230654583850949 Energy: 0.9204055440488285 Energy: 1.123596125042707 Energy: 1.0892006594662362 Energy: 1.0555990025468944 Energy: 1.0649820016403766 Energy: 1.0497995109786742 Energy: 1.1813131188576755 Energy: 0.9853832247932307 Energy: 1.1010619205219454 Energy: 1.0155414198711936 Energy: 1.057406694787532 Energy: 0.9987994478830082 Energy: 1.0295796925808156 Energy: 1.1215531425662606 Energy: 0.9954033202268175 Energy: 1.0370125192244217 Energy: 1.0925875917280847 Energy: 0.9170976116248415 Energy: 1.1035049289589545 Energy: 1.060640519452368 Energy: 1.242337398649137 Energy: 1.1060313039995766 Energy: 1.0364727571473098 Energy: 1.062457533039938 Energy: 0.9481130302732462 Energy: 0.9483169024427323 Energy: 1.0241853589072922 Energy: 1.0611409706331 Energy: 0.9143431320932892 Energy: 1.0640288335790322 Energy: 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1.2760738662752402 Energy: 1.0480501509824032 Energy: 1.2131676807735272 Energy: 1.0902097253589453 Energy: 1.1949243290293237 Energy: 1.1148322872014913 Energy: 1.106498182661928 Energy: 1.2598477679197067 Energy: 1.1573743856609595 Energy: 1.0205541110726093 Energy: 1.0923453717847709 Energy: 1.255385348555132 Energy: 1.0333003274233088 Energy: 1.0474631828730259 Energy: 1.19586320959081 Energy: 1.1790258905962725 Energy: 1.1200495628921991 Energy: 1.1382277828621372 Energy: 1.1388255314311522 Energy: 1.033784160505065 Energy: 1.048554653590211 Energy: 1.1290007734921472 Energy: 1.0198373193410466 Energy: 1.1358101410223638 Energy: 1.1853160658346271 Energy: 1.2051414663539755 Energy: 1.1266759357731615 Energy: 1.1068488374514138 Energy: 1.2012220845037804 Energy: 1.2211440662704904 Energy: 1.0583599934718275 Energy: 1.0626229199298023 Energy: 1.1702970008703015 Energy: 1.1403791350665997 Energy: 1.1357783465073672 Energy: 1.1215946762187927 Energy: 0.9903550190884599 Energy: 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1.013668388331867 Energy: 0.9671177576903308 Energy: 0.9685748512876533 Energy: 1.0719446867927465 Energy: 0.8938602580621698 Energy: 1.0646687863930377 Energy: 1.1144976982067378 Energy: 1.0702391535849125 Energy: 1.0465937664072342 Energy: 1.116607223449483 Energy: 0.9949377050108119 Energy: 0.9536189967406986 Energy: 1.1005050691442142 Energy: 0.9211071323091488 Energy: 0.9983377527501018 Energy: 1.0231309122494552 Energy: 0.9841169816349734 Energy: 1.0952499685935202 Energy: 0.9774161719299643 Energy: 1.0052963406869402 Energy: 0.9159726911138456 Energy: 1.018289385232443 Energy: 1.0660109561132898 Energy: 1.0260148213088962 Energy: 1.0821422558953229 Energy: 0.9237461537316952 Energy: 0.9541198287893722 Energy: 1.1156102142371431 Energy: 1.024891958336471 Energy: 1.0684637665673529 Energy: 1.0688031748556117 Energy: 0.933928453015207 Energy: 1.1003545330601776 Energy: 0.9832945053866673 Energy: 1.0257474543049203 Energy: 1.0064355447622912 Energy: 0.9563829985425474 Energy: 0.9739370197498408 Energy: 1.023851552211334 Energy: 1.0233324796032965 Energy: 0.9954937593085237 Energy: 1.0856561032775294 Energy: 0.9353688731143899 Energy: 1.024257126633837 Energy: 1.093986229330005 Energy: 0.94927496927324 Energy: 0.9524183366400885 Energy: 1.154906221940983 Energy: 0.9986119440283715 Energy: 1.0324787157039994 Energy: 0.9719255353758622 Energy: 0.9933940336715678 Energy: 1.0727299760572802 Energy: 0.9157088523176634 Energy: 1.0890410391375427 Energy: 1.0262628819342698 Energy: 1.0397853050878512 Energy: 1.0672524848798954 Energy: 1.0353952003015319 Energy: 1.0332330916763783 Energy: 0.9993447999467304 Energy: 1.0415000274494521 Energy: 1.061377202089086 Energy: 1.1196068614716923 Energy: 1.1016381794710715 Energy: 1.044272690310829 Energy: 1.151712868545137 Energy: 0.9859917451457478 Energy: 1.1083867149663569 Energy: 1.065257765700819 Energy: 1.1224581778867506 Energy: 1.1398059525459159 Energy: 1.0724511136767154 Energy: 1.1151584168129585 Energy: 1.1597584768457259 Energy: 1.1221049565064425 Energy: 1.1196587358907097 Energy: 1.1340201313962823 Energy: 1.1625488107128887 Energy: 1.0436637410989658 Energy: 1.1301981022355951 Energy: 1.047437154377312 Energy: 1.2219087487267906 Energy: 1.1190833408256973 Energy: 1.1940208521316444 Energy: 1.1139250212955183 Energy: 1.106842171235655 Energy: 1.2609985627993738 Energy: 1.1591229153835378 Energy: 1.0255361399528262 Energy: 1.0921916090123982 Energy: 1.1381405578399824 Energy: 1.0333829426461385 Energy: 1.0479807111160684 Energy: 1.1211927121919716 Energy: 1.1769799660773266 Energy: 1.126990181154241 Energy: 1.1373879240002491 Energy: 1.2550562291326068 Energy: 1.105022419702043 Energy: 1.0580931121489985 Energy: 1.2028936309673035 Energy: 1.020105106714927 Energy: 1.1343190915238783 Energy: 1.1635323463968565 Energy: 1.2053698475896866 Energy: 1.174773593362725 Energy: 1.1068529478166937 Energy: 1.2008644322230773 minimum gb energy = 0.8938602580621698 eV minimum distance = 2.25348472227261 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.0383430387829042 Energy: 0.9931727714591856 Energy: 1.0194132935470883 Energy: 0.9965466534437896 Energy: 0.9944784810097363 Energy: 1.0173981375120782 Energy: 0.9935350754392006 Energy: 0.9966433396788968 Energy: 1.179227299336154 Energy: 0.9528875793728834 Energy: 0.954650761139445 Energy: 0.9543370830504831 Energy: 0.9539719869915783 Energy: 1.1836958624653848 Energy: 0.9654689232584992 Energy: 1.1546537022650376 Energy: 0.9555840860277925 Energy: 0.9541051785164314 Energy: 0.9536398370728358 Energy: 0.9546129549796907 Energy: 0.9561864709140238 Energy: 0.9665791696681746 Energy: 1.2056511846733577 Energy: 0.956844834621961 Energy: 0.9535251532520616 Energy: 0.9546086504410919 Energy: 0.9532705375999188 Energy: 1.0003736810920205 Energy: 0.994204091851569 Energy: 1.1830675345829922 Energy: 0.9976739882104182 Energy: 1.179969842374973 Energy: 0.9550432246214892 Energy: 0.9962272681263625 Energy: 1.1814367790191542 Energy: 0.964949931107128 Energy: 1.2045365531892411 Energy: 0.9534317168008044 Energy: 0.9566394989953574 Energy: 0.9533524763373369 Energy: 0.9532555252806549 Energy: 0.9938035241926971 Energy: 0.9655390366562135 Energy: 1.179589392577326 Energy: 0.9559850512990966 Energy: 0.9543649741436029 Energy: 0.9550145764192693 Energy: 0.954909948027769 Energy: 1.1807288852187192 Energy: 0.965047009810733 Energy: 1.1798307131478407 Energy: 0.9552418580932487 Energy: 0.9543958267825811 Energy: 0.9537252137868482 Energy: 0.9547810356473971 Energy: 1.1813421611346322 Energy: 0.9659169410587466 Energy: 1.2049749951276658 Energy: 0.9527570722196637 Energy: 0.9548820164372968 Energy: 0.9535895959772186 Energy: 0.9529215840601397 Energy: 0.9950692883746798 Energy: 0.9941389737144626 Energy: 1.1827792885468376 Energy: 0.9973636147596774 Energy: 1.179493219645014 Energy: 1.1802301948440312 Energy: 0.996007132813365 Energy: 1.1814118391235129 Energy: 0.9659682422900131 Energy: 1.2045790682288797 Energy: 0.9529587882445945 Energy: 0.9540040026392907 Energy: 0.9535867652956913 Energy: 0.9524552422730955 Energy: 0.9963018305686051 Energy: 0.9651744051421849 Energy: 1.178756387253062 Energy: 0.9554360646149574 Energy: 0.95424774251782 Energy: 0.9539145081211948 Energy: 0.9536316482658548 Energy: 1.1810963264357965 Energy: 0.9660514036634432 Energy: 1.1834789651095456 Energy: 0.9540441788750766 Energy: 0.9540911380789106 Energy: 0.9545701400957247 Energy: 0.9537512656559646 Energy: 1.1844600300386128 Energy: 0.9650426682559226 Energy: 1.2048287648710756 Energy: 0.9526273271819115 Energy: 0.9964827655930074 Energy: 0.9541329341322242 Energy: 0.9528866141833332 Energy: 0.9936876313738728 Energy: 0.9961869454099935 Energy: 1.185385998943822 Energy: 0.9977449552872368 Energy: 0.95538076308989 Energy: 0.9546864372724118 Energy: 0.9522075692753192 Energy: 1.183131179668444 Energy: 0.9659007701254196 Energy: 1.2051533343852203 Energy: 0.9535129161973351 Energy: 0.95551859574661 Energy: 0.9533118253055649 Energy: 0.9533339334202902 Energy: 0.9554725597796281 Energy: 0.965841451933075 Energy: 1.2039399643199236 Energy: 0.9555619711171832 Energy: 0.9546527577053959 Energy: 0.9533085785684007 Energy: 0.9539824084246415 Energy: 0.9563471208385286 Energy: 0.9964540174563075 Energy: 1.1794873353280657 Energy: 0.9549403790190598 Energy: 0.9549348985794237 Energy: 0.9544960949915517 Energy: 0.9543401866023142 Energy: 1.1833796596464206 Energy: 0.965648922080262 Energy: 1.2049294533805344 Energy: 0.9537855365732264 Energy: 0.9967020560249253 Energy: 0.994465547766297 Energy: 0.9537164556851772 Energy: 0.9932856552889974 Energy: 0.9666271353925359 Energy: 1.1813727882498792 Energy: 0.9540045920941014 Energy: 0.954397414219204 Energy: 0.9538261909363193 Energy: 0.9536781171388636 Energy: 1.1845938681729535 minimum gb energy = 0.9522075692753192 eV minimum distance = 2.2740833666702 Angstroms sigma value = 23