Model name: model_name=EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943 cohesive_energy=4.450349977830181 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: 7.7715611723761e-16 eV ======================================== theta = 0.0 ======================================== Energy: 0.020537994353087105 Energy: 0.4797652342715826 Energy: 0.47976523427310713 Energy: 0.020537994353087105 Energy: 0.47976523427310713 Energy: 0.47976523427310713 Energy: 0.020537994353087105 Energy: 0.47976523427310713 Energy: 0.4797652342715826 Energy: 0.020537994354611695 Energy: 0.4774908980015617 Energy: 0.30949566123246103 Energy: -1.7671502268345718 Energy: 0.47749089799851263 Energy: 0.3094956612339856 Energy: -1.7671502268345718 Energy: 0.4774908979604324 Energy: 0.30949566124160854 Energy: -1.7671502268360963 Energy: 0.4774908979528096 Energy: -6.953416022406597 Energy: -1.1092367537319838 Energy: -1.109236761948926 Energy: 5.988286670588423 Energy: -1.1092367735275854 Energy: -1.1092367831937526 Energy: 4.721128407780166 Energy: 1.4271221710738065 Energy: -1.1092367716150935 Energy: -1.9023378320934239 Energy: 0.4774908979573833 Energy: -1.7671502268345718 Energy: 0.30949566123246103 Energy: 0.4774908979878404 Energy: -1.7671502268345718 Energy: 0.30949566123855937 Energy: 0.47749089795890787 Energy: -1.7671502268360963 Energy: 0.3094956612339856 Energy: 0.47749089805488765 Energy: 0.020537994354611695 Energy: 0.47976523427310713 Energy: 0.47976523427463175 Energy: 0.02053799435156252 Energy: 0.47976523427310713 Energy: 0.4797652342761563 Energy: 0.020537994354611695 Energy: 0.4797652342715826 Energy: 0.47976523427310713 Energy: 0.020537994354611695 Energy: 0.4774908980030863 Energy: 0.30949566122941186 Energy: -1.7671502268360963 Energy: 0.47749089799851263 Energy: 0.30949566123093647 Energy: -1.7671502268345718 Energy: 0.4774908980015617 Energy: 0.30949566123855937 Energy: -1.7671502268360963 Energy: 0.4774908980091847 Energy: -6.953416022405073 Energy: -1.1092367619671866 Energy: -1.1092367743185003 Energy: 5.988286670588423 Energy: -1.1092367824851308 Energy: -1.1092367836798884 Energy: 3.7401966546070926 Energy: 1.3669361261067168 Energy: -1.1092367825278193 Energy: -5.108213611436467 minimum gb energy = -6.953416022406597 eV minimum distance = 2.1088409371507 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.6392027586563327 Energy: 1.9594530478039287 Energy: 1.9889602062049234 Energy: 1.5199092652140556 Energy: 1.9594530478113976 Energy: 1.9889602061974543 Energy: 1.6392027586563327 Energy: 1.959453047807663 Energy: 1.9889602062049234 Energy: 1.5199092652140556 Energy: 1.2963182070127286 Energy: 1.7155343043526012 Energy: 1.7573621980427643 Energy: 1.296318207415847 Energy: 1.7155343043526012 Energy: 1.7573621980502334 Energy: 1.296318206952977 Energy: 1.7155343043563358 Energy: 1.7573621980464988 Energy: 1.296318207337491 Energy: 1.5446091548232543 Energy: 1.6777442174536485 Energy: 1.7272610035719878 Energy: 2.1275082623136683 Energy: 1.6777442174387107 Energy: 1.7272610032509597 Energy: 1.5446093597020323 Energy: 1.6777442174461799 Energy: 1.727261003340519 Energy: 2.1275082623174026 Energy: 1.9138700612611654 Energy: 1.8190401788064652 Energy: 1.4849377402744515 Energy: 1.913870061249962 Energy: 1.8190459427322225 Energy: 1.4849377544143525 Energy: 1.9138700612648998 Energy: 1.2025868645204532 Energy: 1.484937766195091 Energy: 1.913870061249962 Energy: 1.2870821505251395 Energy: 1.91039490953085 Energy: 1.8494756514449266 Energy: 1.2870821493269198 Energy: 1.9331082145646343 Energy: 1.7980801690893988 Energy: 1.2870821445040979 Energy: 1.910394909523381 Energy: 1.84947553639989 Energy: 1.2870821446646121 Energy: 1.378261080914448 Energy: 1.7973016455271635 Energy: 1.6455396549124242 Energy: 1.3776483979247034 Energy: 1.7973016477071395 Energy: 1.6455396509146467 Energy: 1.8052141037517326 Energy: 1.7973016477146087 Energy: 1.6455396502128392 Energy: 1.4127123298637596 Energy: 1.653372970969774 Energy: 1.8510177294497718 Energy: 1.8376306766802113 Energy: 1.6217010528943523 Energy: 1.91587903684544 Energy: 1.8376306766802113 Energy: 1.6210894602570667 Energy: 1.769549713115085 Energy: 1.8376306766802113 Energy: 1.6211694041506537 Energy: 1.8754278018786357 Energy: 1.1983996302121849 Energy: 1.6821221610038266 Energy: 1.8754278018674326 Energy: 1.1977244397671538 Energy: 0.9470929796981481 Energy: 1.8754278018861048 Energy: 1.1981041288329506 Energy: 1.6821221610112957 Energy: 1.8754278018786357 Energy: 1.7567628780732605 Energy: 1.7869265338977114 Energy: 2.07334876874092 Energy: 1.4736435578922813 Energy: 1.7869265406428994 Energy: 2.0733487698197046 Energy: 1.756762877994905 Energy: 1.785279489818899 Energy: 2.0733487702825744 Energy: 1.4736434481104619 Energy: 1.1311908730158158 Energy: 1.7322236616254754 Energy: 2.1253571206094035 Energy: 1.8203534371375663 Energy: 1.7107337421462183 Energy: 1.823213867364071 Energy: 1.1311914146085555 Energy: 1.710344343474743 Energy: 2.12535711670492 Energy: 1.8203534371487697 Energy: 1.77709791469143 Energy: 1.47986203977674 Energy: 1.8099639176632094 Energy: 1.7770979146876955 Energy: 1.4798620397281919 Energy: 1.8099639176594748 Energy: 1.77709791469143 Energy: 1.4798620398252877 Energy: 1.8099639176594748 Energy: 1.7770979146951646 Energy: 1.8734175752341555 Energy: 1.6740437133410715 Energy: 0.6956489929246485 Energy: 1.8734175759657712 Energy: 1.6740437133522748 Energy: 0.7279266465333397 Energy: 1.8734175774924873 Energy: 1.6740437133672126 Energy: 0.726043058046454 Energy: 1.873417577914278 Energy: 1.7117287218810602 Energy: 1.5746241319478833 Energy: 1.777291537229182 Energy: 1.711728721589908 Energy: 1.6778233961931477 Energy: 1.7772324691995582 Energy: 1.7117287212054617 Energy: 1.5746241222388895 Energy: 1.7768355312838082 Energy: 1.7117287209143095 Energy: 1.8573272392916473 Energy: 1.695119922734038 Energy: 1.545168008778414 Energy: 1.8573272392841784 Energy: 1.989654755755597 Energy: 1.5451679866130152 Energy: 1.8573272393065852 Energy: 1.6950794550016373 Energy: 1.5451680339785738 Energy: 1.8573272392617717 Energy: 1.7815788680091373 Energy: 1.3809962318219455 Energy: 1.9173321481033732 Energy: 1.7815788680986964 Energy: 1.3809962312209687 Energy: 1.9173321481033732 Energy: 1.7815788681547133 Energy: 1.3809962307096186 Energy: 1.91733214809217 Energy: 1.7815788682031934 Energy: 1.9439363159702845 Energy: 1.986539282527971 Energy: 1.1011956204254207 Energy: 1.9439363751949372 Energy: 1.986539282557847 Energy: 1.5971648236029674 Energy: 1.9439362831700844 Energy: 1.9865392825205022 Energy: 1.100040918170728 Energy: 1.9439363234321498 Energy: 1.7250548375463295 Energy: 2.1095220720880405 Energy: 2.0193220373680787 Energy: 1.725054837535126 Energy: 2.109522072267227 Energy: 2.0193220540163845 Energy: 1.725054837520188 Energy: 2.109522072353052 Energy: 2.019322069257477 Energy: 1.725054837520188 Energy: 1.3304538751452601 Energy: 1.8852703016042263 Energy: 1.8216947148112974 Energy: 1.4951523458484604 Energy: 1.8852703016453054 Energy: 1.8216947172935614 Energy: 1.3304538749100567 Energy: 1.8852703016341021 Energy: 1.8216947174093299 Energy: 1.4951523264192013 Energy: 1.872156777986961 Energy: 0.9153686447507264 Energy: 1.815622541348969 Energy: 1.8721567680352946 Energy: 0.9153686449149749 Energy: 1.815622541348969 Energy: 1.8721568109139968 Energy: 0.9153686447656642 Energy: 1.8156225413601725 Energy: 1.8721567933959684 Energy: 1.6204563648050563 Energy: 1.8660418880060077 Energy: 1.7688954058429056 Energy: 1.6204560014911218 Energy: 1.8660419165134083 Energy: 1.7688954060182898 Energy: 1.6204567262339695 Energy: 1.8660419171293232 Energy: 1.7688954066640803 Energy: 1.620460989631588 Energy: 2.1599048727312637 Energy: 1.871529982828526 Energy: 1.7912721086588117 Energy: 2.1599048728656367 Energy: 1.834417834635542 Energy: 1.7912721087110264 Energy: 2.159904873037354 Energy: 1.8715299828359948 Energy: 1.7912721086700152 Energy: 2.159904873153055 Energy: 1.30032603759891 Energy: 1.709208350099108 Energy: 1.8014588909739668 Energy: 1.30032603759891 Energy: 1.995678248030582 Energy: 1.422429547862904 Energy: 1.3003260375839725 Energy: 1.709208350177532 Energy: 1.8014588909329556 Energy: 1.3003260375765036 Energy: 1.964285509730066 Energy: 1.5448540946571019 Energy: 1.687652580054518 Energy: 1.9642855099204557 Energy: 1.5448540946571019 Energy: 1.6876812498595484 Energy: 1.964285509883111 Energy: 1.5448540946571019 Energy: 1.6877069969152478 Energy: 1.964285510058563 Energy: 2.1222525978331577 Energy: 1.4661977829291337 Energy: 1.5713422210075985 Energy: 2.122252597848096 Energy: 1.466197782828371 Energy: 1.5713422213771067 Energy: 2.1222525978592985 Energy: 1.466197782828371 Energy: 1.5713422218511799 Energy: 2.1222525978630333 Energy: 1.874935104298253 Energy: 1.882450448864103 Energy: 1.7450911221947853 Energy: 1.8749351037346205 Energy: 1.8824504489275211 Energy: 1.61362570622558 Energy: 1.8749351024617116 Energy: 1.8824504490656282 Energy: 1.7450911519601569 Energy: 1.8749351020137799 Energy: 1.6146635781992014 Energy: 1.9594530478039287 Energy: 1.9889602062049234 Energy: 1.5199092652177901 Energy: 1.9594530478113976 Energy: 1.9889602062011889 Energy: 1.6146635781992014 Energy: 1.9594530478113976 Energy: 1.9889602062049234 Energy: 1.5199092652215247 Energy: 1.2963182070463388 Energy: 1.7155343043526012 Energy: 1.7573621980427643 Energy: 1.2963182074942705 Energy: 1.7155343043563358 Energy: 1.7573621980464988 Energy: 1.2963182070649433 Energy: 1.7155343043563358 Energy: 1.7573621980464988 Energy: 1.2963182073785022 Energy: 2.1795608172186336 Energy: 1.6777442173640893 Energy: 1.7272610037586429 Energy: 1.9532257933978934 Energy: 1.6777442174200383 Energy: 1.727261003493564 Energy: 2.1795608172223684 Energy: 1.6777442174573831 Energy: 1.7272610034040048 Energy: 1.953225792636402 Energy: 1.9138700612648998 Energy: 1.8189777565076748 Energy: 1.4849377636754146 Energy: 1.9138700612462276 Energy: 1.8190667002997898 Energy: 1.4849377812531948 Energy: 1.9138700612611654 Energy: 1.8189870401815647 Energy: 1.484937782656742 Energy: 1.913870061242493 minimum gb energy = 0.6956489929246485 eV minimum distance = 2.20410601641573 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.6106687967900613 Energy: 2.062273729745897 Energy: 1.790637617423346 Energy: 1.5452757653654863 Energy: 2.0622737297058085 Energy: 1.7906376174251681 Energy: 1.6106687967864168 Energy: 2.062273729749542 Energy: 1.7906376174215237 Energy: 1.5450925559078663 Energy: 1.9997516111812499 Energy: 2.074467215509728 Energy: 1.7784289247162504 Energy: 1.9997516111065714 Energy: 2.0744672118705334 Energy: 1.7784289246852725 Energy: 1.999751610944459 Energy: 2.0744671916235853 Energy: 1.7784289246178833 Energy: 1.99975161095357 Energy: 1.3022981492137795 Energy: 2.1328360313732486 Energy: 2.785471135513465 Energy: 1.6933704377511338 Energy: 2.132836035915873 Energy: 2.7854711355262207 Energy: 1.302297686038787 Energy: 2.132836035108989 Energy: 2.7854711355007096 Energy: 1.6933704377511338 Energy: 1.7900065387090451 Energy: 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3.3642225065905635 Energy: 1.285792994604843 Energy: 0.9166742991335519 Energy: 1.9152735872461901 Energy: 1.9962565173799587 Energy: 0.8847045362886548 Energy: 1.9444342485007087 Energy: 1.996260805788253 Energy: 0.8703196629217558 Energy: 1.9436362309760564 Energy: 1.9962601163452065 Energy: 0.8795641621396961 Energy: 1.2195303093586933 Energy: 2.643441432076965 Energy: 2.0398353733331263 Energy: 1.126823511403219 Energy: 2.6434605659134465 Energy: 2.0398353733331263 Energy: 1.6621589845557603 Energy: 2.6434414320314428 Energy: 2.039835373351348 Energy: 1.6872773221773896 Energy: 1.2142840056626973 Energy: 1.5634049556173337 Energy: 1.525226199476612 Energy: 1.2142840314358443 Energy: 1.7095691717961443 Energy: 1.5260488560947274 Energy: 1.214284023412459 Energy: 1.5634049555262555 Energy: 1.5252261994729674 Energy: 1.214284038220642 Energy: 1.951762978590426 Energy: 1.6617042000994453 Energy: 1.5026432108783525 Energy: 1.9517575110478063 Energy: 1.802233979953049 Energy: 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1.9199974708373584 Energy: 1.4210729452573818 Energy: 1.5773201792479958 Energy: 1.9199974708702505 Energy: 1.42107294514439 Energy: 1.5773201790425324 Energy: 1.919997470857916 Energy: 1.4210729450539743 Energy: 1.5773201792356613 Energy: 1.917675552022266 Energy: 2.517387562388049 Energy: 1.8624322723844149 Energy: 1.9176755527805032 Energy: 2.5173875628647973 Energy: 1.8624322723885265 Energy: 1.9176755496406932 Energy: 2.517387562388049 Energy: 1.862432272370025 Energy: 1.9176755507667609 Energy: 1.9302694286360091 Energy: 1.9895243237737132 Energy: 2.246845792554434 Energy: 1.9302694245098855 Energy: 1.9895243154947413 Energy: 2.246845792558546 Energy: 1.9302694197406098 Energy: 1.9895243090096582 Energy: 2.2468457925667686 Energy: 1.9302694163583334 Energy: 2.05561245233065 Energy: 1.4907520122309814 Energy: 2.0853242292661927 Energy: 2.29746412556848 Energy: 1.611891154137681 Energy: 2.0853243405564057 Energy: 2.297469754649331 Energy: 1.4902042097189618 Energy: 2.085324475781432 Energy: 2.2974841679116738 minimum gb energy = 1.3041978807429802 eV minimum distance = 1.86828728698386 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.7356823044078507 Energy: 1.9007171781357752 Energy: 2.184392044364783 Energy: 1.7356823044057335 Energy: 1.9007171781350694 Energy: 2.184392044365489 Energy: 1.735682304409198 Energy: 1.9007171781378924 Energy: 2.1843920443549028 Energy: 1.7356823044085568 Energy: 1.317834629498118 Energy: 2.073632655638789 Energy: 1.8690851955910355 Energy: 1.317834629500941 Energy: 2.07363265565361 Energy: 1.8690851956510237 Energy: 1.3178346294931778 Energy: 2.073632655641612 Energy: 1.8690851956820127 Energy: 1.317834629500941 Energy: 1.8666707309232242 Energy: 2.279431779499513 Energy: 2.549053041318342 Energy: 1.8666707309281643 Energy: 2.279431779499513 Energy: 2.5490530413169306 Energy: 1.8666707309225181 Energy: 2.279431779503748 Energy: 2.5490530413169306 Energy: 1.8666707309267527 Energy: 1.5242672465388307 Energy: 1.480944922560025 Energy: 1.5142641286696015 Energy: 1.5242672465480052 Energy: 1.480944922557202 Energy: 1.5142641286710132 Energy: 1.5242672465451823 Energy: 1.480944922557202 Energy: 1.5142641286632497 Energy: 1.524267246542359 Energy: 1.611916354298814 Energy: 2.437647638151967 Energy: 2.6840211422256535 Energy: 1.6186626051167972 Energy: 2.4376476381681993 Energy: 2.684021142224947 Energy: 1.6118066973987841 Energy: 2.4376476381604357 Energy: 2.6840211422256535 Energy: 1.618663480200544 Energy: 1.1311991470686837 Energy: 1.1510898272026535 Energy: 1.4844446389550556 Energy: 1.131199095593211 Energy: 1.151089827207594 Energy: 1.4844443523528248 Energy: 1.1311993971196224 Energy: 1.1510898272167687 Energy: 1.4844448398788632 Energy: 1.1311993798569802 Energy: 1.8341173385592124 Energy: 1.7144178753112407 Energy: 1.9159859521421498 Energy: 1.834117338552155 Energy: 1.714417875544779 Energy: 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2.127008048311193 Energy: 1.8729770472779745 Energy: 1.6970103646212 Energy: 2.1449560221539583 Energy: 1.849726737607738 Energy: 1.595264166644476 Energy: 2.1449560221621726 Energy: 1.8497267375256405 Energy: 1.5952641639238587 Energy: 2.1449560221621726 Energy: 1.8497267375283788 Energy: 1.5952641712782776 Energy: 2.1449560221676496 Energy: 2.115539068866719 Energy: 2.392248290020998 Energy: 2.0792910767213697 Energy: 2.077891680501443 Energy: 2.3922482900867164 Energy: 2.0382592064211544 Energy: 2.115552303899931 Energy: 2.392248290141431 Energy: 2.0792910767295347 Energy: 2.115320759675891 Energy: 1.507682109973562 Energy: 2.041660952874498 Energy: 1.6328223917956877 Energy: 1.507682109970824 Energy: 1.960503013062761 Energy: 1.582959945867262 Energy: 1.5076821099790385 Energy: 2.0416610089315284 Energy: 1.6328223917491376 Energy: 1.507682109973562 Energy: 2.046247425756284 Energy: 2.11677589173807 Energy: 2.2059083892133895 Energy: 2.046203509066499 Energy: 2.0413423192837077 Energy: 2.1052823737638957 Energy: 2.0461871855022626 Energy: 2.154880134545603 Energy: 2.2059083892133895 Energy: 1.8991820966862314 Energy: 1.6213069488806278 Energy: 1.8735236976594567 Energy: 1.6928609124228604 Energy: 1.6213070675498402 Energy: 1.592567735159688 Energy: 1.6393535684124014 Energy: 1.6213065566867313 Energy: 1.8735237485790983 Energy: 1.6936076694873667 Energy: 1.6213065263276487 Energy: 2.958319386852316 Energy: 2.2143240236208426 Energy: 1.8735192067322315 Energy: 2.9583193868824367 Energy: 2.214583881558144 Energy: 1.8735283388022783 Energy: 2.958319386852316 Energy: 2.214324023615416 Energy: 1.8735192281741062 Energy: 2.9583193868769597 Energy: 1.9327134060303035 Energy: 2.435066050537159 Energy: 1.4334275767321518 Energy: 1.9327134059098707 Energy: 2.435066050537159 Energy: 1.4334275768936084 Energy: 1.932713405887965 Energy: 2.4350660505453736 Energy: 1.433427577044162 Energy: 1.9327134058305113 minimum gb energy = 0.9638389778599014 eV minimum distance = 2.07184878606359 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.6028461223589161 Energy: 2.029288838798158 Energy: 1.9364788258738133 Energy: 0.4115334228316611 Energy: 2.0292888388251074 Energy: 1.9364788258822643 Energy: 0.6028459602154858 Energy: 2.0292888387838564 Energy: 1.9364788258549608 Energy: 0.41153342283195665 Energy: -0.617914920173037 Energy: 2.1505721668941282 Energy: 1.31981673274376 Energy: 0.9895620083558798 Energy: 2.1505721668795306 Energy: 0.8942072590633611 Energy: 0.24409215870797982 Energy: 2.1505721668827813 Energy: 1.31981673274376 Energy: 0.9895620083646266 Energy: 1.1694204102869925 Energy: 1.114769366036974 Energy: 0.1679352958604298 Energy: 0.12076408937411891 Energy: 0.9954105017123498 Energy: 1.1598921958346011 Energy: 1.1694204680835962 Energy: 1.1147442908310545 Energy: 0.16793529585493358 Energy: 0.1207640893585168 Energy: 0.23177075696002927 Energy: 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Energy: 0.26518779028679446 Energy: 0.23177075696292512 Energy: 0.25473699217894075 Energy: 0.2651877902802936 Energy: 0.23177075696422528 Energy: 0.2555551906992133 Energy: 0.2651877902666418 Energy: 0.23177075696132945 Energy: 1.791137227107083 Energy: 1.9706007900836335 Energy: -0.32626009735025474 Energy: 1.791137227111929 Energy: 1.9706007900894842 Energy: 0.16905897971765485 Energy: 1.791137227107083 Energy: 1.9706007900995313 Energy: -0.3262634509585214 Energy: 1.7911372271060784 Energy: 1.450916130365642 Energy: 1.4894204626180712 Energy: 0.48618871966431243 Energy: 1.450916344194684 Energy: 1.4943669633583663 Energy: 0.40238550499794484 Energy: 1.4509164920890423 Energy: 1.489420462704178 Energy: 0.4861887151713272 Energy: 1.4509167074675366 Energy: 1.8906440043152766 Energy: 0.14941672425956784 Energy: 1.6934633471771714 Energy: 1.890655791202812 Energy: 0.13900749690711 Energy: 1.6934633475888536 Energy: 1.8906458383887268 Energy: 0.14941743465191978 Energy: 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Energy: 1.8906454823750962 Energy: 1.1993764187619964 Energy: -0.2790162161580697 Energy: 1.9617041396671355 Energy: 1.1993766545184614 Energy: -0.3274512500827543 Energy: 1.9620812748240688 Energy: 1.1993773712284737 Energy: -0.27901622953058847 Energy: 1.254876524723293 Energy: 1.1993776394458924 Energy: 1.4417739760599837 Energy: 0.7897539515791903 Energy: 1.7020366127424646 Energy: 1.4417739760771813 Energy: 0.7897539515648883 Energy: 1.7020366127596622 Energy: 1.441773976071685 Energy: 0.7897539515687888 Energy: 1.702036612753516 Energy: 1.4417739760784816 Energy: 0.8160943455883477 Energy: 0.454957907368268 Energy: 1.2377849695493477 Energy: 0.8142846354859338 Energy: 0.454957907368268 Energy: 1.2363769694311773 Energy: 0.8159594389981659 Energy: 0.454957907364072 Energy: 1.4623159560669663 Energy: 0.8160455348186973 Energy: 0.7658051617201096 Energy: 1.0449664703405788 Energy: 1.7490391335655933 Energy: 0.7658051616031532 Energy: 1.0447646002718096 Energy: 1.7490391334661302 Energy: 0.7658051618708706 Energy: 1.0446416101863945 Energy: 1.749039133447632 Energy: 0.7658051617318111 minimum gb energy = -0.617914920173037 eV minimum distance = 2.14067127189788 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 1.9645407700225184 Energy: 2.0920778245647678 Energy: 2.1291673541724827 Energy: 1.964540770020734 Energy: 2.0920778243685816 Energy: 2.129167334998762 Energy: 1.964540770015381 Energy: 2.0920778245558456 Energy: 2.129167353673079 Energy: 1.9645407698602035 Energy: 2.2034285056459324 Energy: 2.2324221858350453 Energy: 2.3359979027072884 Energy: 2.2034285056530702 Energy: 2.2324221858314766 Energy: 2.335997902712642 Energy: 2.203428505667313 Energy: 2.2324221858421827 Energy: 2.335997902709073 Energy: 2.203428505703001 Energy: 2.0062321833878407 Energy: 1.311158426653455 Energy: 1.9323437507326788 Energy: 2.276017798264172 Energy: 1.3111584228846818 Energy: 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1.9841962189493758 Energy: 1.9352581807057334 Energy: 2.3183963790392013 Energy: 1.9841962189458069 Energy: 1.9352328334373312 Energy: 2.3183963790356326 Energy: 1.9841962189582976 Energy: 1.934297166878357 Energy: 2.3183963790356326 Energy: 2.5695122374240915 Energy: 2.2283930624849426 Energy: 1.72392891164037 Energy: 2.569512237515063 Energy: 2.2283930624849426 Energy: 1.7239289116885161 Energy: 2.5695122374668844 Energy: 2.228393062499218 Energy: 1.72392891164037 Energy: 2.569512237418738 Energy: 1.9803184385944765 Energy: 2.3315562409651767 Energy: 1.681330396899856 Energy: 1.9803184386533292 Energy: 2.3315562409330894 Energy: 1.6813303969016404 Energy: 1.9803184386105366 Energy: 2.3315562410615014 Energy: 1.6813303968980715 Energy: 1.9803184386105366 Energy: 1.5209214391458417 Energy: 1.7916378584913748 Energy: 2.5167976453638126 Energy: 1.5941675082544562 Energy: 1.7916363555129673 Energy: 2.5167976454083902 Energy: 1.5203844043533317 Energy: 1.79161291871568 Energy: 2.516797645397716 Energy: 1.4889063691442077 Energy: 1.622555824908364 Energy: 2.200850395570443 Energy: 1.9516266301994483 Energy: 1.6225558219172627 Energy: 2.200850395613269 Energy: 1.9516266302048015 Energy: 1.6225558213857398 Energy: 2.2008503955865026 Energy: 1.9516266301976637 Energy: 1.6225558189404363 Energy: 1.5704457797426044 Energy: 1.546498151567583 Energy: 2.6909792292838017 Energy: 1.4591419902211469 Energy: 1.5464981515729364 Energy: 2.6909792292873704 Energy: 1.4219920521851617 Energy: 1.5464981516442795 Energy: 2.6909792292927235 Energy: 1.5945725983459336 Energy: 2.0245296548847302 Energy: 1.7723890001747589 Energy: 1.7457587389416875 Energy: 2.024529655348479 Energy: 1.7723887894848347 Energy: 1.8875802966075406 Energy: 2.024529657283705 Energy: 1.7723885137040498 Energy: 1.7455221593864463 Energy: 2.024529658216522 Energy: 1.9770082605554276 Energy: 1.986848384116337 Energy: 1.390590637997606 Energy: 1.977008151036813 Energy: 1.9868483841181215 Energy: 1.3905906379030655 Energy: 1.9770079964537068 Energy: 1.9868483841145523 Energy: 1.3905906379583493 Energy: 1.9770079027289083 Energy: 1.6850794826990514 Energy: 2.512709137318545 Energy: 1.6706848508687078 Energy: 1.6850794133329083 Energy: 2.5127091372097294 Energy: 1.670684849275956 Energy: 1.6850792895187208 Energy: 2.5127091371705053 Energy: 1.6706848502069886 Energy: 1.6850792082274288 Energy: 1.725405990151532 Energy: 2.2131144224960755 Energy: 1.985784586258321 Energy: 1.7254059901122754 Energy: 2.2131144230810977 Energy: 1.9857845919783474 Energy: 1.7254059901925405 Energy: 2.2131144234984843 Energy: 1.9857845826269138 Energy: 1.7254059902406866 Energy: 1.921028329082727 Energy: 2.441082421747223 Energy: 1.9014929459303576 Energy: 1.921028323781839 Energy: 2.441082422464258 Energy: 1.9014929458964867 Energy: 1.9210283223353428 Energy: 2.441082423541546 Energy: 1.9014929459250045 Energy: 1.9210283242420187 Energy: 2.150716594214564 Energy: 1.4346778273050211 Energy: 2.4086579966844512 Energy: 2.150716594194968 Energy: 1.4346778259031028 Energy: 2.4086579966844512 Energy: 2.1507165941967523 Energy: 1.4346778253466308 Energy: 2.4086579966737443 Energy: 2.150716594194968 Energy: 2.5042482183936134 Energy: 1.7551658635899696 Energy: 1.9851853518551585 Energy: 2.504248218395398 Energy: 1.7551658527902556 Energy: 1.9851853551155738 Energy: 2.5042482183989665 Energy: 1.7551658509299741 Energy: 1.9851853729016837 Energy: 2.5042482183989665 Energy: 1.8708844781549323 Energy: 1.8838013779909775 Energy: 1.9501644315623285 Energy: 1.870879404409553 Energy: 1.883801377994546 Energy: 1.9501644315498377 Energy: 1.858177353326373 Energy: 1.8838013780480454 Energy: 1.9501644316532676 Energy: 1.8579872778333562 Energy: 2.613992969011626 Energy: 2.5397496023519284 Energy: 1.4432138215325545 Energy: 2.6139929690223322 Energy: 2.5397496023537127 Energy: 1.474468556317466 Energy: 2.6139929689723695 Energy: 2.539749602355497 Energy: 1.4744489036792985 Energy: 2.613992969031255 Energy: 1.5652670390482633 Energy: 2.109905519291933 Energy: 2.3370374317755913 Energy: 1.5652670390036534 Energy: 2.1099055191153426 Energy: 2.3370374317738074 Energy: 1.5652670390304193 Energy: 2.1099055190582745 Energy: 2.3370374317755913 Energy: 1.5652670389911625 Energy: 1.5740405693964732 Energy: 1.46221408782013 Energy: 2.119346665109024 Energy: 1.57404056939112 Energy: 1.4622140876988559 Energy: 2.11981581608262 Energy: 1.574040569400042 Energy: 1.462214087816561 Energy: 2.11937648848191 Energy: 1.574040569544513 Energy: 2.5723867464162833 Energy: 2.142889469473912 Energy: 1.9235950844875438 Energy: 2.5723867463877657 Energy: 2.142889469475697 Energy: 1.9236423736420458 Energy: 2.572386746501902 Energy: 2.142889469473912 Energy: 1.923579016248417 Energy: 2.5723867464947645 Energy: 1.7833824275464125 Energy: 1.608144613738041 Energy: 1.792187893946893 Energy: 1.7833824275571186 Energy: 1.6093796810429328 Energy: 1.8750801843837974 Energy: 1.7833824275232153 Energy: 1.6073742338963315 Energy: 1.653047697345025 Energy: 1.7833824275125414 Energy: 1.848814464121197 Energy: 1.5534510947118136 Energy: 1.6565485340457593 Energy: 1.8487684626356697 Energy: 1.5534510947135978 Energy: 1.656548533362628 Energy: 1.934367206327968 Energy: 1.5534510947100293 Energy: 1.6565485324476545 Energy: 1.9343608921630489 Energy: 2.8344452443324384 Energy: 1.9428359404752111 Energy: 2.103359965615115 Energy: 2.8344452443342227 Energy: 1.9428359403824547 Energy: 2.1033599655294966 Energy: 2.8344452443342227 Energy: 1.9428359404752111 Energy: 2.1033599656846746 Energy: 2.8344452443342227 Energy: 1.9210533316156175 Energy: 2.4199371742648013 Energy: 1.6495687325752997 Energy: 1.9210533315228617 Energy: 2.4199371742041325 Energy: 1.6538267542175555 Energy: 1.9210533315371365 Energy: 2.4199371741631235 Energy: 1.767090057642515 Energy: 1.9210533315674392 Energy: 2.10797820154291 Energy: 2.1809845333747666 Energy: 1.9405697250417033 Energy: 2.107978201548263 Energy: 2.180984533323052 Energy: 1.9405697250328138 Energy: 2.107978201544694 Energy: 2.1809845333444318 Energy: 1.9405697250310294 Energy: 2.107978201544694 Energy: 1.8296390837424525 Energy: 1.889220699725901 Energy: 1.861536650081478 Energy: 1.8296390823352133 Energy: 1.8892206996991674 Energy: 1.8611138621245291 Energy: 1.8296390839261805 Energy: 1.889220699715227 Energy: 1.860712701161992 Energy: 1.8296390823013096 Energy: 2.3534440116214688 Energy: 2.131508645773311 Energy: 2.3299455594194414 Energy: 2.3534440115929187 Energy: 2.131508645773311 Energy: 2.329945559376616 Energy: 2.353444011628606 Energy: 2.131508645780448 Energy: 2.329945559406951 Energy: 2.3534440115947026 Energy: 2.514357245452539 Energy: 2.211996762712532 Energy: 1.4643428256895183 Energy: 2.514357245418668 Energy: 2.211996762707178 Energy: 1.4643428263440996 Energy: 2.5143572454097463 Energy: 2.2119967627036097 Energy: 1.4643428256467252 Energy: 2.5143572454061776 Energy: 1.866215914448694 Energy: 2.060158639022781 Energy: 1.6479519781427128 Energy: 1.8496381400251927 Energy: 2.0601586390245656 Energy: 1.6465736593961513 Energy: 1.850162073140963 Energy: 2.0601586390209965 Energy: 1.6496024377570933 Energy: 1.6424437860399625 Energy: 1.5343730900335635 Energy: 2.9837587327450543 Energy: 2.5435949609411455 Energy: 1.5343731814806947 Energy: 2.9837587327432695 Energy: 2.5435949609393607 Energy: 1.5343732273727886 Energy: 2.9837587327397017 Energy: 2.5435949609322233 Energy: 1.5343733171701 minimum gb energy = 1.3111584182027196 eV minimum distance = 2.07744466167749 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.2865488369896707 Energy: 1.9299417670098358 Energy: 1.7306341692059712 Energy: 1.2865488369896707 Energy: 1.9299417670145598 Energy: 1.7306341692036091 Energy: 1.2865488369896707 Energy: 1.9299417670145598 Energy: 1.7306341692177805 Energy: 1.2865488369896707 Energy: 0.8829847762681968 Energy: 1.8519646107522274 Energy: 1.6777563885112534 Energy: 0.8829845807498795 Energy: 1.8519646107534085 Energy: 1.6777563885112534 Energy: 0.8829844652118681 Energy: 1.8519646107569512 Energy: 1.6777563885088915 Energy: 0.8829843020948156 Energy: 1.1327597175379887 Energy: 1.4720326715168786 Energy: 1.720491153801077 Energy: 1.6050978018698492 Energy: 1.4720326715180596 Energy: 1.5738794714372937 Energy: 1.2887351726735041 Energy: 1.4720326715180596 Energy: 1.573888384215211 Energy: 1.6050978022794746 Energy: 2.088538326318078 Energy: 1.436187021006228 Energy: 1.890108758917377 Energy: 2.088538325948605 Energy: 0.9283464897721626 Energy: 1.8901087589138346 Energy: 2.088538325259257 Energy: 1.419685002436365 Energy: 1.8901087589185583 Energy: 2.0885383250208145 Energy: 1.678816411718953 Energy: 1.5310413064337474 Energy: 1.1633037473233943 Energy: 1.678816411718953 Energy: 1.531041306436109 Energy: 1.1633037473245755 Energy: 1.678816411717772 Energy: 1.531041306436109 Energy: 1.1633037473269372 Energy: 1.678816411718953 Energy: 1.940552973906822 Energy: 1.3088038138137097 Energy: 1.502875076400329 Energy: 1.940552973905641 Energy: 1.8344336027856505 Energy: 1.5028750763956051 Energy: 1.940552973906822 Energy: 1.3091356482054317 Energy: 1.5028750764026906 Energy: 1.940552973905641 Energy: 1.434922905921114 Energy: 1.238310001427767 Energy: 1.4715847836096614 Energy: 1.434922905921114 Energy: 1.238310001427767 Energy: 1.4715847836120233 Energy: 1.434922905919933 Energy: 1.2383100014383956 Energy: 1.856668297060274 Energy: 1.434922905918752 Energy: 1.4018326684689113 Energy: 1.8406102141026148 Energy: 2.1133271278796424 Energy: 1.4018342286930074 Energy: 1.8406102141061575 Energy: 2.1133271278796424 Energy: 1.401835054784083 Energy: 1.8406102141085194 Energy: 2.1133271278796424 Energy: 1.4018363631733064 Energy: 1.3544412415223237 Energy: 1.4018684281269922 Energy: 1.772582694588215 Energy: 1.354441241519962 Energy: 1.4018684281269922 Energy: 1.77258269456932 Energy: 1.3544412415187808 Energy: 1.401868428129354 Energy: 1.7725826945787675 Energy: 1.3544412415176 minimum gb energy = 0.8829843020948156 eV minimum distance = 2.07953990581154 Angstroms sigma value = 15 ======================================== theta = 88.83061719438597 ======================================== Energy: 1.8784288677921546 Energy: 1.8761989185914392 Energy: 1.995800998787665 Energy: 1.805626054191777 Energy: 1.8901108146133399 Energy: 1.9958009994690966 Energy: 1.8784288681121202 Energy: 1.8762449868026405 Energy: 1.9958009984328517 Energy: 1.8056260541307938 Energy: 1.573775849784185 Energy: 2.2521348773732806 Energy: 1.5398630673782385 Energy: 1.5737758497362693 Energy: 2.2521348769923315 Energy: 1.539983427024084 Energy: 1.573775847968539 Energy: 2.2521348771882708 Energy: 1.5429944396063655 Energy: 1.5737758483778415 Energy: 2.431421189025049 Energy: 1.749391163992159 Energy: 2.562646927899756 Energy: 2.3104222254644364 Energy: 1.7493911640205126 Energy: 2.3800782607465103 Energy: 2.025078106469295 Energy: 1.749391164593045 Energy: 2.238555320267964 Energy: 2.3256340326359246 Energy: 2.172548514173859 Energy: 2.028500628322915 Energy: 2.1213337406656474 Energy: 2.1725485461999554 Energy: 1.7424113568185742 Energy: 2.1213337406612913 Energy: 2.172548548951738 Energy: 2.0285003055214705 Energy: 2.1213337406612913 Energy: 2.1725485810322454 Energy: 2.0695394940617433 Energy: 2.16724128160335 Energy: 1.4218305924873946 Energy: 2.0695394947366808 Energy: 2.1672412817143876 Energy: 1.2956716967406667 Energy: 2.0695394949151966 Energy: 2.167241281368207 Energy: 1.2051522922902251 Energy: 2.0695394956292583 Energy: 1.9748623721132965 Energy: 2.0709358260953095 Energy: 1.5208682200596306 Energy: 1.9748623469621824 Energy: 2.070936312577983 Energy: 1.686307839260741 Energy: 1.9748623121343283 Energy: 2.0709354388150247 Energy: 1.5208682858947606 Energy: 1.974862286593553 Energy: 2.5719166341003543 Energy: 1.7499788410304973 Energy: 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Energy: 2.4752164491399262 Energy: 2.159829942212678 Energy: 2.556835266236839 Energy: 2.4752164491834865 Energy: 2.1598299498779117 Energy: 2.5568352662237714 Energy: 1.8915577735718205 Energy: 2.3121677979345736 Energy: 1.9848694050880462 Energy: 1.8915572582872575 Energy: 2.3121677979367914 Energy: 1.9848694050162123 Energy: 1.891559464438649 Energy: 2.3121677979411475 Energy: 1.984869404918243 Energy: 1.8915588328382922 Energy: 2.274177009522284 Energy: 2.020157428737013 Energy: 2.3269587296851633 Energy: 2.2741767767948646 Energy: 2.1408776987378957 Energy: 2.3269587295697702 Energy: 2.2741768249591843 Energy: 2.0205819086716232 Energy: 2.3269587295436343 Energy: 2.2741765924625525 Energy: 1.53542124670537 Energy: 1.7249722064633062 Energy: 1.624749181783016 Energy: 1.5354212467032318 Energy: 1.7249722067267237 Energy: 1.62474910218913 Energy: 1.5354212467337236 Energy: 1.7249722068006959 Energy: 1.6247490299687863 Energy: 1.5354212467293673 Energy: 1.5499913093459654 Energy: 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1.7644888329558688 Energy: 1.863437494111264 Energy: 2.6590554924167864 Energy: 2.350232250231011 Energy: 1.8634374941069083 Energy: 2.659055491820256 Energy: 2.3502322504813606 Energy: 1.8634374941004137 Energy: 2.6590554924842635 Energy: 2.3502322502462176 Energy: 1.8634374941069083 Energy: 1.9100698957316617 Energy: 2.0302064396954465 Energy: 1.8725671040655978 Energy: 1.9100698957207323 Energy: 2.0303751252468496 Energy: 1.873099225882049 Energy: 1.9100698958230578 Energy: 2.0302064398129787 Energy: 1.8725110447708517 Energy: 1.9100698957120203 Energy: 1.812138471328571 Energy: 1.610446825770415 Energy: 2.363174936630253 Energy: 2.063927430227768 Energy: 1.9288340023602997 Energy: 2.4005805677196976 Energy: 2.0737382185217172 Energy: 1.8116414197408148 Energy: 2.5206638903766576 Energy: 2.285724501485959 Energy: 1.8716539980935434 Energy: 1.742374956215012 Energy: 1.7386893911986054 Energy: 1.8716539982677025 Energy: 1.856598131512383 Energy: 1.738689794802202 Energy: 1.8716539981958686 Energy: 1.8565915115278382 Energy: 1.738689981281056 Energy: 1.871653998187157 Energy: 2.077577494870795 Energy: 1.9237769003956833 Energy: 2.3587370391257396 Energy: 2.077392932195333 Energy: 1.9237769022548101 Energy: 2.3587382219640163 Energy: 2.0774040770105064 Energy: 1.9237769007396466 Energy: 2.358737039188862 Energy: 2.0775096277462373 Energy: 1.7264982899599297 Energy: 2.4323445581964607 Energy: 2.168576794711078 Energy: 1.674950119401689 Energy: 2.432344558102847 Energy: 2.168576794767626 Energy: 1.8696830324376323 Energy: 2.4323445580875616 Energy: 2.168576794769844 Energy: 1.7655418573108024 Energy: 1.9636993794509747 Energy: 1.963908318887642 Energy: 1.80395749496606 Energy: 1.9636993329455654 Energy: 1.8666367674975914 Energy: 1.8039962156447487 Energy: 1.963699506397149 Energy: 1.963908318308536 Energy: 1.8039574948876524 Energy: 1.9636994528468743 Energy: 2.107484689325032 Energy: 1.8064946548288827 Energy: 2.1298046884516286 Energy: 2.107484137135769 Energy: 1.8064946548245266 Energy: 2.1298046874132455 Energy: 2.107483513579457 Energy: 1.806494654600313 Energy: 2.129804687778988 Energy: 2.035577328642663 Energy: 1.8311208221446604 Energy: 1.869841176750306 Energy: 1.97345899241331 Energy: 1.831163334719897 Energy: 1.8975045194335212 Energy: 1.9734589924481576 Energy: 1.8319397430325002 Energy: 1.8252833400263853 Energy: 1.9734589923893124 Energy: 1.8311877974892685 Energy: 2.1358880566369707 Energy: 2.109970511513798 Energy: 2.1879750206634365 Energy: 2.1358880568241987 Energy: 2.1099705356656533 Energy: 2.1879750206634365 Energy: 2.1358880566261207 Energy: 2.1099705211732727 Energy: 2.187975020656863 Energy: 2.135888056650039 Energy: 2.1558466482276404 Energy: 2.016369401695031 Energy: 1.9448790869874715 Energy: 2.1558466482297782 Energy: 2.016369401570926 Energy: 1.9448790869809773 Energy: 2.15584664820586 Energy: 2.0163694015622142 Energy: 1.9448790870092514 Energy: 2.1558466482341347 Energy: 1.9104197369969322 Energy: 2.2156035819063513 Energy: 1.7699737902284074 Energy: 1.923536292612225 Energy: 2.215603894316914 Energy: 1.7699737737745749 Energy: 1.9012534743887863 Energy: 2.2156044552665013 Energy: 1.7699737717760573 Energy: 1.9297618147974187 Energy: 1.8749772585712163 Energy: 1.8251194489289384 Energy: 1.6734209891377214 Energy: 1.874977258747514 Energy: 1.8251194486938747 Energy: 1.6734209890114775 Energy: 1.8749772585733544 Energy: 1.825119448713437 Energy: 1.6734209887523372 Energy: 1.8749772587584435 minimum gb energy = 1.2051522922902251 eV minimum distance = 2.13125654214043 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.702716880981467 Energy: 1.804658257243807 Energy: 1.8927747989668728 Energy: 1.496742388105691 Energy: 1.804658257243807 Energy: 1.777436025029068 Energy: 1.7030808801672421 Energy: 1.804658257243807 Energy: 1.8844155491089225 Energy: 1.496742388196385 Energy: 2.1320271455352384 Energy: 1.6314647884399958 Energy: 2.3111246831152905 Energy: 2.1320271455299036 Energy: 1.6279772093599938 Energy: 2.311124685072392 Energy: 2.1320271455379056 Energy: 1.6268705024879417 Energy: 2.3111246825873732 Energy: 2.1320271455352384 Energy: 1.717474000591293 Energy: 1.7101066600484096 Energy: 1.873467925681961 Energy: 1.717474000591293 Energy: 2.1709115950481266 Energy: 1.8734679993515282 Energy: 1.7174740005886255 Energy: 1.7102167188210502 Energy: 1.873468162269826 Energy: 1.717474000591293 Energy: 1.4021353744476812 Energy: 1.685247980544057 Energy: 1.831974495629992 Energy: 1.4021437632480906 Energy: 1.4327346462696415 Energy: 1.8319744957952784 Energy: 1.4021390802302953 Energy: 1.6852695024659745 Energy: 1.8319744960565936 Energy: 1.4021409498245965 Energy: 1.9004750409963915 Energy: 2.136734781974208 Energy: 1.4528619671920093 Energy: 1.9004751050086361 Energy: 2.1367347819822102 Energy: 1.452861967136041 Energy: 1.9004750456410457 Energy: 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1.180449508712087 Energy: 2.1632221761941275 Energy: 1.9198542649438342 Energy: 2.164325330197187 Energy: 2.177210100063534 Energy: 1.9198499455093303 Energy: 2.164325330197187 Energy: 2.1632221762047976 Energy: 1.9198460114843106 Energy: 2.1643253301811822 Energy: 2.177210100063534 Energy: 1.6204969898387047 Energy: 1.804658257243807 Energy: 2.0128002470161936 Energy: 1.4967423878337542 Energy: 1.804658257243807 Energy: 1.9841178208383876 Energy: 1.619068910422383 Energy: 1.8046582572411396 Energy: 1.8274680350898445 Energy: 1.4967423888069455 Energy: 2.1320271455352384 Energy: 1.6531375993650408 Energy: 2.3111246853176537 Energy: 2.1320271455219006 Energy: 1.6530853783842354 Energy: 2.3111246771055205 Energy: 2.1320271455325708 Energy: 1.652930075556168 Energy: 2.311124687290712 Energy: 2.1320271455379056 Energy: 1.7174740006126328 Energy: 1.6875784375425034 Energy: 1.2271805987607107 Energy: 1.7174740006152516 Energy: 2.1709115951601117 Energy: 1.8734682866975416 Energy: 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1.701611226643554 Energy: 1.9664096361717762 Energy: 1.7844995251062328 Energy: 1.7016112266969035 Energy: 1.9664096345426771 Energy: 1.7845845111097631 Energy: 1.7016112266995709 Energy: 1.9349399005165062 Energy: 2.1674607447858 Energy: 1.9997183993133234 Energy: 1.934939900527176 Energy: 2.1674607447858 Energy: 1.9997183992920324 Energy: 1.9349399005351784 Energy: 2.1674607447884675 Energy: 1.9997183993133234 Energy: 1.9349399005351784 Energy: 1.5554863126232745 Energy: 1.9061801286105815 Energy: 1.7212308873030806 Energy: 1.5554863122953206 Energy: 1.9061801286105815 Energy: 1.7212303517761183 Energy: 1.5554863047817258 Energy: 1.9061801286105815 Energy: 1.721230957506484 Energy: 1.5554863070960745 Energy: 2.074426766660512 Energy: 1.6064187612675498 Energy: 1.6422304107265953 Energy: 2.1829510759227637 Energy: 1.6064187598250768 Energy: 1.6422304348378436 Energy: 2.1828595824208135 Energy: 1.6064187621527628 Energy: 1.6422304469854714 Energy: 2.1834085460269463 Energy: 1.5671762143952854 Energy: 1.7589286650970215 Energy: 1.8458822862792204 Energy: 1.567177557597316 Energy: 1.75892866410249 Energy: 1.2991627456196042 Energy: 1.5671763488935886 Energy: 1.758928660551015 Energy: 1.8458822171396543 Energy: 1.5671777198730432 Energy: 1.899435939892895 Energy: 1.7711598157919752 Energy: 1.6161379067622703 Energy: 1.8994329568374113 Energy: 1.8402931968378653 Energy: 1.6161541847217502 Energy: 1.8994358338279245 Energy: 1.7696209772246585 Energy: 1.616161529245841 Energy: 1.899430836267958 minimum gb energy = 0.9764406969260211 eV minimum distance = 1.97977189336157 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.20632870012342425 Energy: 1.222686577380221 Energy: 1.1166987930584438 Energy: 0.20632872207842626 Energy: 1.2226865773797386 Energy: 1.1166987626807234 Energy: 0.20632865836940437 Energy: 1.2226865773787745 Energy: 1.1166987300587916 Energy: 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2.0547589484807975 Energy: 2.411842192058949 Energy: 2.2691864318837958 Energy: 2.0547589490028773 Energy: 2.4118421920545776 Energy: 2.2691864318859816 Energy: 2.0547589497630887 minimum gb energy = 0.9172923657904026 eV minimum distance = 2.1679156614464 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.5125756745456522 Energy: 1.8724175679160378 Energy: 1.6237901876992396 Energy: 1.5123567202860209 Energy: 1.8724175679128527 Energy: 1.623790187697647 Energy: 1.5121877572225826 Energy: 1.872417567913649 Energy: 1.6237901876984435 Energy: 1.5119352256317513 Energy: 2.3105235972184106 Energy: 1.988450908647472 Energy: 1.4243273615682126 Energy: 2.310523597220799 Energy: 1.9884509137026287 Energy: 1.424327349186585 Energy: 2.310523597219207 Energy: 1.9884509214366042 Energy: 1.4243273586857141 Energy: 2.310523597219207 Energy: 3.2573146115203744 Energy: 1.7658613060287143 Energy: 3.623255786083967 Energy: 3.257314611524356 Energy: 1.765861306031899 Energy: 3.2393673932632483 Energy: 3.257314611524356 Energy: 1.7658613060295103 Energy: 2.8536440332507125 Energy: 2.857473238566832 Energy: 1.5977651669768946 Energy: 1.7309612673571115 Energy: 1.589403111918671 Energy: 1.5977574965760448 Energy: 1.7309612628049298 Energy: 1.5894031062411829 Energy: 1.59775929454483 Energy: 1.7309612597170867 Energy: 1.5894030992298587 Energy: 1.5977112552418515 Energy: 1.8770812097740444 Energy: 1.82249895402338 Energy: 1.9736104061127202 Energy: 1.877081254523196 Energy: 1.8224989540249725 Energy: 1.9736104060570592 Energy: 1.87708122127552 Energy: 1.8224989540257683 Energy: 1.973610406001326 Energy: 1.8770812648666488 Energy: 2.1206093965670054 Energy: 2.249178009816646 Energy: 1.6513496307819404 Energy: 2.120609396568598 Energy: 2.2491780098397354 Energy: 1.6513496298779025 Energy: 2.120609396568598 Energy: 2.249178009822219 Energy: 1.6513496288018874 Energy: 2.120609396574967 Energy: 1.56383420862076 Energy: 1.521349036416945 Energy: 1.8661058964202613 Energy: 1.7812622830410338 Energy: 1.5213490363978366 Energy: 1.8661058964242425 Energy: 2.002853013766801 Energy: 1.5213490363970403 Energy: 1.8661058964258346 Energy: 1.7812622830394413 Energy: 1.842718153935104 Energy: 2.289022558584266 Energy: 1.5649018971006974 Energy: 1.842718153935104 Energy: 2.2890225585993935 Energy: 1.7787544734510625 Energy: 1.8427181538960906 Energy: 2.2890225586200947 Energy: 1.7282294270357088 Energy: 1.842718153872205 Energy: 1.8040457777974244 Energy: 2.1542481585913684 Energy: 1.2920188060261917 Energy: 1.905240910913748 Energy: 2.15424815858898 Energy: 1.4477230458702783 Energy: 1.8547986451115324 Energy: 2.154248158584999 Energy: 1.2593545535135566 Energy: 1.7362118984395545 Energy: 1.9507231609893405 Energy: 2.1908696886979504 Energy: 1.9452457992289751 Energy: 1.9507231611198435 Energy: 2.1908696886979504 Energy: 1.9468004880492618 Energy: 1.9507231611684108 Energy: 2.190869688693969 Energy: 1.9487740041740087 Energy: 1.9507231612750278 Energy: 2.4415225611443074 Energy: 1.9721384465853897 Energy: 2.4035185510271764 Energy: 2.4415225611443074 Energy: 2.0130015870124356 Energy: 2.4035185510423043 Energy: 2.4415225611490845 Energy: 2.013001587010843 Energy: 2.403518551033546 Energy: 2.441522561150677 Energy: 2.5496811233417307 Energy: 1.7417987003687727 Energy: 2.4009986716847327 Energy: 2.549681123257407 Energy: 1.7417987514638504 Energy: 2.4009986718128467 Energy: 2.549681123343323 Energy: 1.7417988565572775 Energy: 2.400998671686325 Energy: 2.5496811232582033 Energy: 1.699129356482753 Energy: 1.5785057431752363 Energy: 1.9002592815679384 Energy: 1.699129356524951 Energy: 1.7234428163760613 Energy: 1.900259281576696 Energy: 1.6991293564859375 Energy: 1.5786695333925271 Energy: 1.9002592815774926 Energy: 1.6991293565257473 Energy: 1.8132596778334011 Energy: 1.9250657545142833 Energy: 2.576379853982412 Energy: 1.8132596777108605 Energy: 1.9250657450653141 Energy: 2.576379853987986 Energy: 1.813259677844548 Energy: 1.9250657327895073 Energy: 2.5763798539776355 Energy: 1.8132596777482086 minimum gb energy = 1.2593545535135566 eV minimum distance = 2.09202311391059 Angstroms sigma value = 33