Model name: model_name=EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 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=3.614999994635582 cohesive_energy=3.5402781770682505 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=[1.4500627800147719e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.53563387672328e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-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: -2.00930524461851e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.016721840676078525 Energy: 0.33000878298307107 Energy: 0.3297837302752423 Energy: 0.9592287725272841 Energy: 0.7942043298228226 Energy: 0.28630710591167197 Energy: 0.017319690544043285 Energy: 0.08233164557104115 Energy: 0.6370741927025112 Energy: 0.23399937098671708 Energy: 0.3301079356028547 Energy: 0.08434019728650023 Energy: 0.017934881029542566 Energy: 0.08344140635575084 Energy: 0.017234525199826843 Energy: 0.6386131322424295 Energy: 0.20399071659410423 Energy: 0.3293539793234424 Energy: 0.6438783594890157 Energy: 0.08211350414402699 Energy: 0.08356284291320072 Energy: 0.01916266777135661 Energy: 0.32980652000263755 Energy: 0.33057000964526234 Energy: 0.9580642324585412 Energy: 0.7949939268393599 Energy: 0.0825077558196588 Energy: 0.017519035064239342 Energy: 0.08263959461755711 Energy: 0.8012595942815307 Energy: 0.2349772425229042 Energy: 0.32989582317129135 Energy: 0.5806153334022414 Energy: 0.017500187233541162 Energy: 0.08355910655244113 Energy: 0.017123594996915858 Energy: 0.6385301459449912 Energy: 0.33338205318480063 Energy: 0.32939425029716235 Energy: 0.6469822665576996 Energy: 0.08203193776857774 Energy: 0.08341040693715711 minimum gb energy = 0.016721840676078525 eV minimum distance = 2.53097848071783 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0945430871776618 Energy: 1.1321735930029861 Energy: 1.0500330108897613 Energy: 0.9912687759571889 Energy: 1.0374041089951247 Energy: 0.9916426205527686 Energy: 0.9771307736263689 Energy: 0.932175136519614 Energy: 0.9848977529080795 Energy: 0.9242206742119567 Energy: 0.994436745063044 Energy: 0.9705737786243612 Energy: 0.9424482945002426 Energy: 0.9967384222627055 Energy: 0.9280936910508504 Energy: 1.0120399056785396 Energy: 1.0280609153632898 Energy: 0.9878566106389322 Energy: 0.9768733708023514 Energy: 1.0244597596220484 Energy: 0.9871836010243347 Energy: 0.9301712003300715 Energy: 0.9986080862236054 Energy: 0.9425323602794005 Energy: 0.9948459645835741 Energy: 0.9875425579617952 Energy: 0.9319615114408724 Energy: 1.007514092022048 Energy: 0.9927990983623314 Energy: 0.9651035487345662 Energy: 0.9741261988955205 Energy: 0.9614889043665427 Energy: 0.9993024772390381 Energy: 0.9696591436884948 Energy: 1.0038701501904512 Energy: 0.9773077535451098 Energy: 0.9728169725056353 Energy: 0.9295814815628826 Energy: 0.9554594964289712 Energy: 0.9467028293565152 Energy: 0.9488231300915909 Energy: 0.9557886350743117 Energy: 0.9405071197137859 Energy: 1.0275976676915144 Energy: 1.0802907523615142 Energy: 0.9879715702716453 Energy: 0.9737407848999361 Energy: 1.0211982932485866 Energy: 0.979696322758505 Energy: 0.9796048013530075 Energy: 0.9721828785891078 Energy: 1.02846430977626 Energy: 1.002377059789497 Energy: 0.9788048465594948 Energy: 0.9639373471981987 Energy: 1.0150746632713306 Energy: 0.9443362424977848 Energy: 0.9701187044418341 Energy: 0.9747573707671771 Energy: 0.9532352463889284 Energy: 1.0043450735567667 Energy: 0.9852412938690422 Energy: 0.9924249632624867 Energy: 0.9455305981939558 Energy: 0.9606416244778682 Energy: 0.9645641060221444 Energy: 0.9802260566047724 Energy: 0.9689882848266024 Energy: 1.0044129883504227 Energy: 0.97883198833092 Energy: 0.9734422667217852 Energy: 1.0460208030933615 Energy: 0.9591408315659755 Energy: 1.0135003904662654 Energy: 1.0788412057478651 Energy: 0.9460528879570088 Energy: 0.9964331240646603 Energy: 1.095939531631492 Energy: 0.9887847854979964 Energy: 0.9781811913711332 Energy: 0.9725751089768411 Energy: 0.9736792870218289 Energy: 0.9772989281466946 Energy: 0.9791625445245707 Energy: 0.9499852194133126 Energy: 0.9869364881668196 Energy: 0.9477603853973039 Energy: 0.9828275135905028 Energy: 1.0038652124349148 Energy: 0.9779330333247198 Energy: 0.9905411426840444 Energy: 1.0559089739830751 Energy: 1.0108148734444933 Energy: 1.0853249860163523 Energy: 1.0223920037373206 Energy: 1.0322532232868993 Energy: 0.9837727861645136 Energy: 1.010227331731567 Energy: 0.937097904314658 Energy: 1.001090110391196 Energy: 0.9635071171833374 Energy: 0.9814994179858638 Energy: 0.9749943281407552 Energy: 0.9656573675037082 Energy: 0.9748562357094193 Energy: 0.935598547876587 Energy: 1.015608476167009 Energy: 0.9903942509976302 Energy: 1.0150497092978468 Energy: 1.0082727908053508 Energy: 0.966627559666749 Energy: 0.9855983911905016 Energy: 0.9995162902414483 Energy: 0.9709191719415674 Energy: 0.9596151588791413 Energy: 0.9975523728264041 Energy: 0.9954183024390818 Energy: 0.9943126275450299 Energy: 0.9789732297680589 Energy: 0.9242876866814892 Energy: 0.984867966115174 Energy: 1.0287268942146934 Energy: 1.0088450861865565 Energy: 0.9983451594850805 Energy: 1.0747622823730985 Energy: 0.9952036127140407 Energy: 0.9629095140329803 Energy: 0.9521506511870643 Energy: 0.9378951392613384 Energy: 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0.9322185327089172 Energy: 1.052573386923286 Energy: 0.9666496512845535 Energy: 1.0077161515915756 Energy: 0.9758628111417822 Energy: 0.9715867370421827 Energy: 1.025241751927423 Energy: 1.008744783322478 Energy: 1.0365005990888307 Energy: 0.9260137024427383 Energy: 1.0068156662975685 Energy: 0.9809519694540724 Energy: 1.0300375140529665 Energy: 1.0222261281114688 Energy: 0.9673820153388122 Energy: 1.000350930184372 Energy: 0.9577932101552422 Energy: 0.9557626654646647 Energy: 0.9534178735831688 Energy: 0.9397186236588427 Energy: 0.9877884423055524 Energy: 0.945714150174974 Energy: 0.959254292555137 Energy: 0.9954857980533686 Energy: 1.0545941423457479 Energy: 0.9971198295521908 Energy: 1.010805202280206 Energy: 0.9579865667649379 Energy: 0.969578849445698 Energy: 1.045193929626372 Energy: 0.9343629797675157 Energy: 0.95532317120501 Energy: 0.9674450097063299 Energy: 0.972944808375287 Energy: 0.9565164674198378 Energy: 0.9925485303869838 Energy: 0.9570974827662683 Energy: 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0.9925840852629881 Energy: 1.0090293939273325 Energy: 0.9386723313665106 Energy: 0.9305740613332836 Energy: 0.982746474575215 Energy: 0.9868915478015204 Energy: 1.0313586630622547 Energy: 1.0095489667935824 Energy: 1.0329403812193607 Energy: 1.0059054646451278 Energy: 0.9279591704099565 Energy: 1.01011325688703 Energy: 0.9362404650803976 Energy: 0.9550387410478958 Energy: 0.9681920397467505 Energy: 0.9439199988610109 Energy: 1.011392110684248 Energy: 1.0762571048782772 Energy: 0.9641208153169155 Energy: 0.9774365460670263 Energy: 1.0324167299958122 Energy: 1.0084760455963802 Energy: 0.9644762888090342 Energy: 0.9754487248215215 Energy: 0.921164525363248 Energy: 0.9859432265359889 Energy: 0.9263037531525757 Energy: 0.9878649860469275 Energy: 0.9802288752733258 Energy: 0.9622984348185887 Energy: 1.0057521258353004 Energy: 0.9310949566610277 Energy: 0.9856018778203957 Energy: 0.977878400502758 Energy: 1.0216977515348151 Energy: 0.9811638999140081 Energy: 0.9810218681409018 Energy: 0.9914709336958112 Energy: 0.9556132328274805 Energy: 1.0447617885120648 Energy: 0.9300430683799353 Energy: 0.9629397725080431 Energy: 0.9331144675796783 Energy: 0.9315406529601578 Energy: 0.9708031293935077 Energy: 0.9437083894488887 Energy: 0.9829507340389436 Energy: 1.0089613373781727 Energy: 0.9869388087066733 Energy: 0.9911364011272773 Energy: 0.9984334952985188 Energy: 0.979519918820314 minimum gb energy = 0.921164525363248 eV minimum distance = 2.28747937655666 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.0496592355019196 Energy: 1.135100189437409 Energy: 1.0053311166297165 Energy: 0.9720461852062583 Energy: 0.956703882411749 Energy: 0.9814390817776539 Energy: 0.9528658749351888 Energy: 0.9480633162014038 Energy: 0.9641803806694962 Energy: 0.9429319122971815 Energy: 0.9393805891058584 Energy: 0.9440665276701737 Energy: 1.038075821258159 Energy: 0.9775876058289166 Energy: 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0.952658872975586 Energy: 0.9865416517166216 Energy: 0.982023755827074 Energy: 0.9768068238555208 Energy: 0.9769332147833525 Energy: 0.971507386683327 Energy: 0.9739902081442295 Energy: 0.9571418730418146 Energy: 0.9602147601463125 Energy: 0.9637963458032434 Energy: 0.9427553760124092 Energy: 0.9612328168688923 Energy: 0.9483743199051654 Energy: 0.9854446307635764 minimum gb energy = 0.9283021655973721 eV minimum distance = 2.28967941535867 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.9627259355227928 Energy: 0.9477029706813968 Energy: 0.9899601218825481 Energy: 0.9240281887680025 Energy: 0.9727557344373634 Energy: 0.9538104757343137 Energy: 0.9550465773692823 Energy: 0.9946639464765298 Energy: 0.980608896131862 Energy: 0.9911316981871339 Energy: 0.9741500308030742 Energy: 0.9923364199146567 Energy: 0.9725425789217276 Energy: 1.0181188489030697 Energy: 1.0007413929672928 Energy: 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0.9903404383406249 Energy: 1.0003116878126246 Energy: 0.9949802038221338 Energy: 0.930939825313035 Energy: 0.9817980546823158 Energy: 0.9569839223234418 Energy: 1.0128154860826788 Energy: 1.032148279486534 Energy: 0.9842633291453068 Energy: 0.998149384726897 Energy: 0.9995210633951399 Energy: 1.0662850728636146 Energy: 1.0170396202881005 Energy: 1.0766208792604128 Energy: 0.9862683956863244 Energy: 0.9481122929619407 Energy: 0.9857591545400691 Energy: 0.9584989752499024 Energy: 0.9737133684346193 Energy: 0.9732147172106755 Energy: 0.9718700167093927 Energy: 0.9835597548517363 Energy: 0.9792350679299716 Energy: 0.9685790936638585 Energy: 0.9472953923935366 Energy: 0.9457886981613548 Energy: 0.951202584602512 Energy: 0.981415516113249 Energy: 0.9911108581286795 Energy: 0.9739108104504834 Energy: 0.9968648871055874 Energy: 0.9725742413511456 Energy: 1.0079395389138073 Energy: 0.9792199634959807 Energy: 0.9888820280548911 Energy: 0.9620206977327784 Energy: 0.9832211476941947 Energy: 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0.9599305863925321 Energy: 0.9507317174553086 Energy: 0.9390375759587919 Energy: 0.9532727475831138 Energy: 0.961869390429573 Energy: 0.9436574814682435 Energy: 0.9194243426964416 Energy: 0.8900576730063884 Energy: 1.060301455472362 Energy: 0.9326580118970793 Energy: 1.1684186437621014 Energy: 1.152603384153706 Energy: 1.084447195304737 Energy: 1.1513622895356503 Energy: 0.8899813498009649 Energy: 0.9700846904746812 Energy: 0.9563354370339315 Energy: 0.8534599832086494 Energy: 0.9803767046557892 Energy: 0.9656485102393233 Energy: 0.9124696275228564 Energy: 1.0167684297139246 Energy: 0.9512422474205517 Energy: 0.9141932592501362 Energy: 0.9013445653477017 Energy: 0.9329214872683118 Energy: 0.9445578726015115 Energy: 0.8903185563694386 Energy: 0.927996758435496 Energy: 0.9844698565594794 Energy: 0.9272303907354742 Energy: 0.9468131910656222 Energy: 0.9380727954051736 Energy: 0.9202640238979672 Energy: 0.8894284264595985 Energy: 0.9141750745338595 Energy: 0.9454225749258455 Energy: 0.9831471374685143 Energy: 0.8898605394981122 Energy: 0.8901442685701895 Energy: 0.9402644143365918 Energy: 0.9196222316504824 Energy: 0.8960820936891138 Energy: 0.9390775912909601 Energy: 0.982772363321087 Energy: 0.8868645836423842 Energy: 0.9130734089054244 Energy: 0.943933034520342 Energy: 0.9198971058739496 Energy: 0.9354724670241056 Energy: 0.9673459873353845 Energy: 0.9686272343825304 Energy: 0.9081542952010762 Energy: 0.9313011355749693 Energy: 0.95452069728799 Energy: 1.0224128355877602 Energy: 0.9081977070549928 Energy: 0.9462260252583344 Energy: 0.9635623755378265 Energy: 0.9115641100105765 Energy: 0.9332961184228057 Energy: 0.9335010699509944 Energy: 1.1523144157779923 Energy: 0.9568620090832038 Energy: 0.9337324568682439 Energy: 1.076960610999852 Energy: 0.9602410628168744 Energy: 0.9537211067398169 Energy: 0.9550162727205921 Energy: 0.9204762726139782 Energy: 0.9836199780270389 Energy: 1.0216074203728107 Energy: 0.9327893961709168 Energy: 1.1135867164181623 Energy: 1.113583051057978 Energy: 1.0725267688952131 Energy: 1.1115974750842983 Energy: 0.9602308669099973 Energy: 0.9030914223370595 Energy: 1.0882924736382378 Energy: 0.9463219099483251 Energy: 0.9604278460815482 Energy: 0.9552866062766581 minimum gb energy = 0.8534599832086494 eV minimum distance = 2.32450669826259 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.1170288337168741 Energy: 1.0103210226132469 Energy: 1.2177028285264007 Energy: 1.1616230092080304 Energy: 1.1332172043377942 Energy: 1.111384905849076 Energy: 0.9278907705621792 Energy: 0.976027210460111 Energy: 1.1494851617388504 Energy: 1.1472457378565526 Energy: 0.9648578412398434 Energy: 1.058360404713931 Energy: 1.0671522812062832 Energy: 0.98037963955427 Energy: 1.1298264104194697 Energy: 1.0613552355620317 Energy: 1.0661926614613242 Energy: 1.0501671901072716 Energy: 1.153538152091298 Energy: 1.0557361039514008 Energy: 0.9848780446005028 Energy: 1.0789711031571585 Energy: 1.0799226799329902 Energy: 1.0701838446755305 Energy: 1.0933604085472304 Energy: 1.1371284102238408 Energy: 1.0672179451234909 Energy: 1.107567907759385 Energy: 0.8892999944816736 Energy: 0.9688651532873725 Energy: 0.976285790655464 Energy: 1.0536042275235367 Energy: 0.9949449589808067 Energy: 1.011079818953263 Energy: 1.114379782425055 Energy: 0.9883625566468524 Energy: 1.0396594714951095 Energy: 1.0135482800740288 Energy: 0.986448752175222 Energy: 1.01478841033652 Energy: 1.0475814171764177 Energy: 1.0510340654220587 Energy: 1.0191651134458457 Energy: 0.9235289384718356 Energy: 1.072346813137333 Energy: 0.9729912118862317 Energy: 1.0965202694411151 Energy: 1.015686664699006 Energy: 0.9930589812226323 Energy: 1.000442174524933 Energy: 0.9460305964139852 Energy: 0.9553222797617162 Energy: 0.9764260024179551 Energy: 1.0499517210868896 Energy: 0.9836953084318438 Energy: 0.9739492049335876 Energy: 0.8986606224763377 Energy: 0.9673636811017005 Energy: 1.0010086594409113 Energy: 0.9216558899936393 Energy: 1.0364329012672868 Energy: 1.0468570025006008 Energy: 1.0529413452989418 Energy: 1.0942031891395267 Energy: 0.9564191700411108 Energy: 0.9075591054591651 Energy: 0.9348631599221446 Energy: 0.9378848856232832 Energy: 1.0033191765642342 Energy: 0.9480729456129783 Energy: 0.9920009676271349 Energy: 0.9404605804160313 Energy: 0.9362974596499601 Energy: 0.9819026963672395 Energy: 0.9836403597481796 Energy: 0.9645750083235692 Energy: 0.9499777741379212 Energy: 0.9212117279970924 Energy: 0.9271424291800964 Energy: 1.0462511404454178 Energy: 0.9701511568475997 Energy: 1.0131186077704737 Energy: 1.0914792230107908 Energy: 0.986459623153969 Energy: 1.0017568950800917 Energy: 0.9566705750047102 Energy: 0.9804355814295027 Energy: 0.923309830747141 Energy: 0.980061579428719 Energy: 0.9796659331246554 Energy: 0.9294152446440458 Energy: 1.048824855335876 Energy: 0.940191104853644 Energy: 1.0316683455307527 Energy: 0.9357181269965287 Energy: 0.9355807979580409 Energy: 1.0414790392247022 Energy: 0.9368528122030068 Energy: 0.9402959686497665 Energy: 1.1170809506305661 Energy: 1.0029253137494205 Energy: 0.972686350678011 Energy: 0.967543349041021 Energy: 1.011101414372433 Energy: 1.1131801831890655 Energy: 0.8911244219389461 Energy: 1.0251462189755929 Energy: 1.0241934734407228 Energy: 1.005482952655189 Energy: 1.012736476603191 Energy: 1.0618063564679485 Energy: 1.0353643483967476 Energy: 1.0204296984573846 Energy: 1.0622113478326527 Energy: 1.0172523553848738 Energy: 1.1166242482967301 Energy: 1.092406519989675 Energy: 1.1164185991796811 Energy: 0.9943619066383218 Energy: 1.0024077799181152 Energy: 1.0404863767730435 Energy: 1.070949567516659 Energy: 1.1417552323972584 Energy: 1.1062423107611168 Energy: 0.9504372393891755 Energy: 1.1089255701262148 Energy: 1.0329797020452456 Energy: 1.1518075773573797 Energy: 0.9910203338691325 Energy: 1.0416126691304985 Energy: 0.983427376813379 Energy: 1.057510187334689 Energy: 1.0485181669478099 Energy: 1.1294639552051982 Energy: 1.131967515454739 Energy: 1.1413287674082926 Energy: 1.1624236961908738 Energy: 1.1362472957928702 Energy: 1.066499487278054 Energy: 1.2229230796613861 Energy: 1.169349906946175 Energy: 1.0481509480348048 Energy: 1.0226878656862906 Energy: 1.044709394478809 Energy: 1.1370069880709475 Energy: 1.1064932455727738 Energy: 1.174507261464786 Energy: 1.0775812796480493 Energy: 1.1353848578964996 Energy: 1.096745580020266 Energy: 1.0429156265201083 Energy: 1.1375703448623757 Energy: 1.1067532095953208 Energy: 0.9775689100542128 Energy: 1.1097531765030304 Energy: 0.9868851360506841 Energy: 1.0130774742100026 Energy: 1.1619570831221184 Energy: 1.132774503993104 Energy: 1.1102770020753019 Energy: 1.0011301964495154 Energy: 1.0462844811898402 Energy: 1.1501116631916335 Energy: 0.9560234456636256 Energy: 1.0299883242289416 Energy: 0.9844238189993655 Energy: 0.8939220614326969 Energy: 1.0603863042237223 Energy: 1.0036405578327594 Energy: 1.0605300274768918 Energy: 1.0635991602363664 Energy: 1.1537486500200658 Energy: 1.1395226223220238 Energy: 1.0550350125968655 Energy: 1.046258594885682 Energy: 1.0801648179656156 Energy: 1.0629633186576724 Energy: 1.0699447635563542 Energy: 1.1521559608230418 Energy: 1.1417772865077396 Energy: 1.0673625135990163 Energy: 1.0963227457734026 Energy: 0.9225024417998607 Energy: 0.9243720771724827 Energy: 1.0932421467075277 Energy: 1.054414806353511 Energy: 1.0125884735373716 Energy: 1.065139902231249 Energy: 1.0692029520573612 Energy: 0.9871041424059829 Energy: 0.97901929800918 Energy: 1.0134731761908458 Energy: 0.9279941265604327 Energy: 1.0156597655724195 Energy: 1.0488147766402778 Energy: 1.0742535039115406 Energy: 1.0211601074723893 Energy: 0.9212295592227261 Energy: 1.022760997253866 Energy: 1.0004843369988887 Energy: 1.0365672280597902 Energy: 1.0187112606884725 Energy: 0.99314939659364 Energy: 1.0530325161938316 Energy: 0.9448927002834648 Energy: 0.9799182982709422 Energy: 0.9945253316299321 Energy: 1.039017946368394 Energy: 0.9627544476392189 Energy: 0.9556108995250384 Energy: 0.9003086063161121 Energy: 0.9867298961155582 Energy: 1.0014301755464703 Energy: 0.9732246776513819 Energy: 1.037853077625452 Energy: 1.0460654226641093 Energy: 1.0485473538948256 Energy: 0.9435643805093042 Energy: 1.009293759285834 Energy: 1.0222757337930497 Energy: 0.9321092758486413 Energy: 0.9413712128618374 Energy: 1.04316580377404 Energy: 0.9477663412056011 Energy: 0.9885211482158195 Energy: 0.9404805664159718 Energy: 0.9457374460791238 Energy: 0.9889141129608685 Energy: 0.9838325958377091 Energy: 1.0164677320591633 Energy: 1.0007708423545834 Energy: 0.8946698801177512 Energy: 0.9269699600522913 Energy: 1.0459727367123446 Energy: 1.056106558652396 Energy: 1.078444106333587 Energy: 1.0922787175573232 Energy: 0.951919837164262 Energy: 0.9356693895666663 Energy: 0.9405330076843719 Energy: 0.9787969498343623 Energy: 0.9095118437336099 Energy: 1.0179539440868035 Energy: 0.9948229470258216 Energy: 0.9284015789912661 Energy: 1.0472163799299163 Energy: 0.9286370089504049 Energy: 1.013873139351663 Energy: 0.9728125368865149 Energy: 0.989132109303585 Energy: 1.0238050292263379 Energy: 0.9381624429836944 Energy: 0.9413735404371905 Energy: 1.0218524745279096 Energy: 1.0304498852283943 Energy: 0.9233021928048237 Energy: 0.9835050841660681 Energy: 1.0111955967077138 Energy: 0.9745684628767503 Energy: 0.8926872308964878 Energy: 0.9993839894167138 Energy: 1.0043715128815083 Energy: 1.0237053199609936 Energy: 0.9765458086437278 Energy: 1.0615116177155142 Energy: 1.038300893444772 Energy: 1.047548566377353 Energy: 0.9746608728062524 Energy: 1.0162538958614622 Energy: 1.115582128831985 Energy: 1.0675146322188733 Energy: 1.0539027988477991 Energy: 0.9920777961133425 Energy: 1.0041827500174314 Energy: 1.0986161275783835 Energy: 1.0722810754039327 Energy: 1.0857748768486237 Energy: 1.0284006172283346 Energy: 0.9491814211991061 Energy: 1.0038853616600865 Energy: 1.079506517657215 Energy: 1.1504387834318301 Energy: 1.066154593254796 Energy: 1.0752254980849631 Energy: 0.9876573617973189 Energy: 1.0405359977123438 Energy: 1.04828449667044 Energy: 1.1294702504475578 Energy: 1.2298530154247413 Energy: 1.1393666405768739 Energy: 1.161538518388013 Energy: 1.1343068140173613 Energy: 1.0667638422157202 Energy: 1.075622042508916 Energy: 1.0770915681086084 Energy: 0.9855707467235696 Energy: 0.9878115397241676 Energy: 1.1033028257690478 Energy: 1.1369355601966549 Energy: 1.1067563260136863 Energy: 1.060600135585078 Energy: 1.1729379262758055 Energy: 1.1338670521590744 Energy: 1.0954769429509403 Energy: 1.0843262442966317 Energy: 1.1372885428377095 Energy: 1.1067776361054464 Energy: 1.0709918495853932 Energy: 1.1082927399209428 Energy: 0.9993413028093621 Energy: 1.2103657189767598 Energy: 1.1626988539616094 Energy: 1.1331286237558122 Energy: 1.0661859405237701 Energy: 1.0263760321335929 minimum gb energy = 0.8892999944816736 eV minimum distance = 2.2692908980161 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.9936416068835324 Energy: 1.1155945515830388 Energy: 0.9682655032112621 Energy: 0.9016535682236827 Energy: 0.9024074323481224 Energy: 0.964415677135698 Energy: 0.9665154180245004 Energy: 0.9567993850771042 Energy: 1.0976492355070804 Energy: 0.9027249128698334 Energy: 0.9027896223751201 Energy: 0.902448567664322 Energy: 0.9030597793795935 Energy: 1.0974555927265797 Energy: 0.954297781478136 Energy: 1.0974372473397653 Energy: 0.9495718223518336 Energy: 0.9020119760120289 Energy: 0.9022461192607928 Energy: 0.9017002928470731 Energy: 0.9024168397785564 Energy: 0.9552144462785805 Energy: 1.0975664379483117 Energy: 0.9017571211738076 Energy: 0.9018667872589744 Energy: 0.9017864468363799 Energy: 0.901847978121245 Energy: 0.9706674825288132 Energy: 0.9918219679235443 Energy: 1.0981153091372733 Energy: 0.9600668664585733 Energy: 1.0976891617605695 Energy: 0.9029129037825238 Energy: 0.9594894346853724 Energy: 1.098098432108618 Energy: 0.9583821896929603 Energy: 1.0978888437566041 Energy: 0.9020738073217754 Energy: 0.9021371914270868 Energy: 0.9022945714980725 Energy: 0.9021029896287469 Energy: 0.9672110145976248 Energy: 0.9549182727139495 Energy: 1.0971373977923105 Energy: 0.9521540365631664 Energy: 0.9026034809922037 Energy: 0.9026549811198337 Energy: 0.9018801487936181 Energy: 1.0970819531045533 Energy: 0.9543091624948 Energy: 1.097159629852001 Energy: 0.9509551857337512 Energy: 0.9024697464167242 Energy: 0.9025098777845368 Energy: 0.9491823301804234 Energy: 1.0972693066226789 Energy: 0.9573028990724184 Energy: 1.0969902828122275 Energy: 0.9016586022547208 Energy: 0.9021990665134683 Energy: 0.9018472830273131 Energy: 0.9016595450779462 Energy: 0.9680511549010818 Energy: 0.9915095080288148 Energy: 1.097740657050765 Energy: 0.9600158746640041 Energy: 1.0969274132788998 Energy: 1.0968843369394896 Energy: 0.9592849407375311 Energy: 1.0980573089914447 Energy: 0.9567261474503468 Energy: 1.097568685414504 Energy: 0.9020403192915915 Energy: 0.9017854085615157 Energy: 0.9019073924426618 Energy: 0.9015682794738875 Energy: 0.9689657299666051 Energy: 0.9542636219725811 Energy: 1.0975443053678469 Energy: 0.9505264453374784 Energy: 0.902648381714889 Energy: 0.9022654101387853 Energy: 0.9021260109192177 Energy: 1.0969726059503653 Energy: 0.9555549172868635 Energy: 1.0976180130068478 Energy: 0.9526096317638999 Energy: 0.9026095233915076 Energy: 0.9022080666021042 Energy: 0.9512057268319248 Energy: 1.097358168531916 Energy: 0.9574103641829274 Energy: 1.096594291631881 Energy: 0.9023300579098574 Energy: 0.902018278148911 Energy: 0.902282548186595 Energy: 0.9024208156655943 Energy: 0.966758555002343 Energy: 0.9921179064224429 Energy: 1.0981100847100689 Energy: 0.9596958346768716 Energy: 0.9024897039832789 Energy: 0.9024817959186218 Energy: 0.9023479935224736 Energy: 1.0977192857543978 Energy: 0.9549097245080598 Energy: 1.097270483045823 Energy: 0.9018693117144878 Energy: 0.9020787820401909 Energy: 0.9021283858546512 Energy: 0.9018274428737129 Energy: 0.9040990131810881 Energy: 0.9545932076055783 Energy: 1.0971003445769103 Energy: 0.9019585771380403 Energy: 0.9020466098709584 Energy: 0.9018952722187584 Energy: 0.9018767147555482 Energy: 0.9019710517225544 Energy: 0.9924159072824622 Energy: 1.0977692311004625 Energy: 0.9502157989309804 Energy: 0.902271418610376 Energy: 0.902724000339749 Energy: 0.902511026870741 Energy: 1.097767191011245 Energy: 0.9583284547352343 Energy: 1.0970445050447486 Energy: 0.9024826135461314 Energy: 0.9019558722682691 Energy: 0.9023226413094466 Energy: 0.9029626090383264 Energy: 0.966611126560831 Energy: 0.9560865781390429 Energy: 1.0975844676168278 Energy: 0.952986214689437 Energy: 0.9027799741124828 Energy: 0.9020526375752006 Energy: 0.9029522702706625 Energy: 1.0972920346134414 minimum gb energy = 0.9015682794738875 eV minimum distance = 2.38825273776165 Angstroms sigma value = 23