Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.9173715934157367 cohesive_energy=5.770453839558936 mass=195.084 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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.023212890368862926 Energy: 0.025893028467060004 Energy: 0.74359030854292 Energy: 1.2260911181198255 Energy: 1.226991047061948 Energy: 0.4835987985415512 Energy: 0.025028481225349303 Energy: 0.02410926756373042 Energy: 1.2110294513989095 Energy: 0.6630162512519077 Energy: 1.064603519803089 Energy: 0.7441885676436123 Energy: 0.024247826982193046 Energy: 0.13778913542954235 Energy: 0.026353997845684096 Energy: 1.0690774380590091 Energy: 1.3403373788463586 Energy: 1.0686274509465217 Energy: 0.9630102469135423 Energy: 0.1350933080691885 Energy: 0.13691570376994341 Energy: 0.026519454201025475 Energy: 0.7440979927367245 Energy: 1.0606501026464534 Energy: 1.2259082542926008 Energy: 1.2271321122135772 Energy: 0.1354780292158714 Energy: 0.024315327544358264 Energy: 0.477467720279883 Energy: 1.2133745228947315 Energy: 0.6690449363331914 Energy: 0.7424512891779891 Energy: 0.7445847342534884 Energy: 0.024041931508015153 Energy: 0.13589998622363952 Energy: 0.02378631343945678 Energy: 1.0710546998034614 Energy: 1.3398539391322193 Energy: 1.0683127071518657 Energy: 0.962093615559908 Energy: 0.13493347885545307 Energy: 0.13647266756297718 minimum gb energy = 0.023212890368862926 eV minimum distance = 2.7457720582377 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.7258822746937337 Energy: 2.0268045536666266 Energy: 1.9380421158363264 Energy: 1.9831370750342818 Energy: 1.9393796684414806 Energy: 1.9181669674909008 Energy: 1.939152014177096 Energy: 1.5807051937157648 Energy: 1.883130457469542 Energy: 1.767259996521893 Energy: 1.8784683953770938 Energy: 1.9007813358414631 Energy: 1.8187118204565795 Energy: 1.8181719513208858 Energy: 1.788278115446824 Energy: 1.8394412871593713 Energy: 1.7701312740779993 Energy: 1.8468531467954232 Energy: 1.928340788114724 Energy: 1.7909081181118085 Energy: 1.8268938570670368 Energy: 1.8421683720077702 Energy: 1.8421438383164992 Energy: 1.7659922004735797 Energy: 1.775205230334899 Energy: 1.8232003423050178 Energy: 1.8454241815205568 Energy: 1.8781822967214201 Energy: 1.828640414049671 Energy: 1.975184166074804 Energy: 1.7247547019454141 Energy: 1.8717308393165915 Energy: 1.7661137243583056 Energy: 1.8373154737796034 Energy: 1.93753070720459 Energy: 1.86159413518383 Energy: 1.8956067495319617 Energy: 1.7231898054025623 Energy: 1.7531106180868115 Energy: 1.8117626602889016 Energy: 1.8326928839388577 Energy: 1.9538259194823018 Energy: 1.9062183546523772 Energy: 1.8303793471584833 Energy: 1.7644254070318435 Energy: 1.8027456954119785 Energy: 1.837088499585594 Energy: 1.8777886933532457 Energy: 1.9941416379518568 Energy: 1.6030959557270643 Energy: 1.8345594385796515 Energy: 1.793887293972174 Energy: 1.7814590493701574 Energy: 1.8265041114255909 Energy: 1.8530921329011287 Energy: 1.8379818822474223 Energy: 1.7530534398210236 Energy: 1.8824627298026726 Energy: 1.7274304664978006 Energy: 1.916494181178859 Energy: 1.9178926667256182 Energy: 1.7789528731915527 Energy: 1.8518815310548573 Energy: 1.729717746311415 Energy: 1.877599182965003 Energy: 1.8655893368171743 Energy: 1.896820149662198 Energy: 1.8487648526544274 Energy: 1.7450376708041497 Energy: 1.8629761939007783 Energy: 1.5821609678924127 Energy: 1.861131508687845 Energy: 1.9318862328063138 Energy: 1.9626170987251947 Energy: 1.8389055920786084 Energy: 1.8676283950028558 Energy: 1.793773714428994 Energy: 1.6832772183539253 Energy: 1.8381976335816812 Energy: 1.8261069894020585 Energy: 1.8964444038853758 Energy: 1.9265110755397026 Energy: 1.700484544347189 Energy: 1.752478937845223 Energy: 1.715536824473778 Energy: 1.824073371378907 Energy: 1.7962935469295285 Energy: 1.8659939144001554 Energy: 1.840690067627132 Energy: 1.7356655383708792 Energy: 1.773073524220023 Energy: 1.6853939952814223 Energy: 2.017959889675061 Energy: 1.840960787683824 Energy: 1.8138947420598508 Energy: 1.8033105397936666 Energy: 1.8415849742217065 Energy: 1.8300901891569465 Energy: 1.8163981739632051 Energy: 1.911175374986467 Energy: 1.7698317785586946 Energy: 1.792677958989931 Energy: 1.8281599169701481 Energy: 1.8372754006590408 Energy: 1.8697810044073984 Energy: 1.8470273432159892 Energy: 1.8952848590207911 Energy: 1.749496140476362 Energy: 1.7968155104207322 Energy: 1.867718149598027 Energy: 1.7803159561078201 Energy: 1.8682554287639401 Energy: 1.6514114863306384 Energy: 1.8268448047862702 Energy: 1.7467914049428228 Energy: 1.7544341102684975 Energy: 1.8048826628964885 Energy: 1.7999812161977369 Energy: 1.8476636929596304 Energy: 1.9146279425016925 Energy: 1.8963652463878913 Energy: 1.6580087879487366 Energy: 1.789832324617872 Energy: 1.8724251398314422 Energy: 1.832904214559413 Energy: 1.965842661477716 Energy: 1.876471726802523 Energy: 1.8983690711409973 Energy: 1.6479334253253275 Energy: 1.743072696768577 Energy: 1.863138814984682 Energy: 1.6331151855329213 Energy: 1.9072434583961684 Energy: 1.8213525211257149 Energy: 1.9517765953187058 Energy: 1.7929201064427374 Energy: 1.7834905187897605 Energy: 1.7804573923147502 Energy: 1.8626700982698101 Energy: 1.9583736407510597 Energy: 1.7682830905672737 Energy: 1.8165048582259793 Energy: 1.769295658758065 Energy: 1.7860124035427187 Energy: 1.8047193861208972 Energy: 1.8625564486457395 Energy: 1.8069645834692214 Energy: 1.6969195383872424 Energy: 1.8070427521716326 Energy: 1.8010238824889788 Energy: 1.948741561468847 Energy: 1.911323685466557 Energy: 1.7729802114480167 Energy: 1.7705448515341364 Energy: 1.6236474736591184 Energy: 1.8194684393690594 Energy: 1.9335249378571253 Energy: 1.9406298837009033 Energy: 1.884868569228036 Energy: 1.834699424600176 Energy: 1.8035320103728136 Energy: 1.7328374504163158 Energy: 1.997722641680947 Energy: 1.9113176762375825 Energy: 1.9633378662284011 Energy: 1.9330041829976037 Energy: 1.7477018724251783 Energy: 1.9253315533061697 Energy: 1.5724130324583565 Energy: 1.8628109291749178 Energy: 1.7772938732828045 Energy: 1.8333268078052591 Energy: 1.9221451879020124 Energy: 1.884978545237052 Energy: 1.7871217176885568 Energy: 1.6361590490912203 Energy: 1.8880691130113327 Energy: 1.8115348883682538 Energy: 1.8445369517891474 Energy: 1.8475361858946155 Energy: 1.836965639203499 Energy: 1.8293567595892564 Energy: 1.8015635722196999 Energy: 1.8421010852271982 Energy: 1.7639341656549181 Energy: 1.7636872333170615 Energy: 1.8088455633344298 Energy: 1.8698415502240218 Energy: 1.8938771766746145 Energy: 1.6509652120875289 Energy: 1.8783454317117403 Energy: 1.6567536518631787 Energy: 1.807627426449951 Energy: 1.7956486263799334 Energy: 1.8280687338138613 Energy: 1.9442166457705008 Energy: 1.8191669297720883 Energy: 1.8880370180299952 Energy: 1.7061144256674867 Energy: 1.7566142767916324 Energy: 1.8202959021025982 Energy: 1.8327679205219276 Energy: 1.9141836515401331 Energy: 1.8705404668720407 Energy: 1.8463026885164833 Energy: 1.7663172233118114 Energy: 1.7822853781163905 Energy: 1.8219950650205188 Energy: 1.8857511455382825 Energy: 1.9967256479747157 Energy: 1.6215610370700064 Energy: 1.8620841034193887 Energy: 1.7405765920201248 Energy: 1.8006252574946695 Energy: 1.8082738907262783 Energy: 1.8795040526137405 Energy: 1.9295306627222877 Energy: 1.7253766428472121 Energy: 1.8676852081364637 Energy: 1.7183843395101015 Energy: 1.9205940146567 Energy: 1.9222406326424741 Energy: 1.756636082515018 Energy: 1.8416448226764557 Energy: 1.7467084410226117 Energy: 1.9183085327307456 Energy: 1.8805595503119241 Energy: 1.92690515815552 Energy: 1.912489673263076 Energy: 1.7460977112698373 Energy: 1.8962664584186404 Energy: 1.591622920819599 Energy: 1.8555567383026257 Energy: 1.9467557543698926 Energy: 1.9356630358869331 Energy: 1.8035921609844174 Energy: 1.862668507784944 Energy: 1.8244999487352846 Energy: 1.6791727359601551 Energy: 1.7815720167906768 Energy: 1.8238080776437784 Energy: 1.9156794192255988 Energy: 1.9418519720546636 Energy: 1.7265782807305328 Energy: 1.751320158793282 Energy: 1.72555608452337 Energy: 1.8380523129994788 Energy: 1.8562978274957838 Energy: 1.8889524169862715 Energy: 1.8439229827688433 Energy: 1.7753019424554204 Energy: 1.7543322487021873 Energy: 1.6732471370646629 Energy: 2.003269903933318 Energy: 1.8704782848160642 Energy: 1.8192000605828347 Energy: 1.8331935033896494 Energy: 1.8504924684410697 Energy: 1.8305423355741415 Energy: 1.77586658709162 Energy: 1.9250690419169518 Energy: 1.7314951993825636 Energy: 1.8232002154506493 Energy: 1.8054411306064366 Energy: 1.7726807590535996 Energy: 1.8665580444152807 Energy: 1.8426783425328548 Energy: 1.958939112244279 Energy: 1.7674502056382422 Energy: 1.7688986727402158 Energy: 1.878505510702444 Energy: 1.7312050071537017 Energy: 1.8772492989711387 Energy: 1.6266086291661144 Energy: 1.832597415899509 Energy: 1.7272612168281622 Energy: 1.7627332251623613 Energy: 1.7678301391946458 Energy: 1.7979178935144378 Energy: 1.8677225679949891 Energy: 1.8977985095025809 Energy: 1.8674200598169162 Energy: 1.6557697530883975 Energy: 1.7843498532606874 Energy: 1.8627758195186148 Energy: 1.8099976265173783 Energy: 1.9621998245916301 Energy: 1.8864706500850141 Energy: 1.8997398661426894 Energy: 1.741283903412625 Energy: 1.7350276521520331 Energy: 1.8571767323233934 Energy: 1.8702920308667463 Energy: 1.9419252134193605 Energy: 1.8293422749784336 Energy: 1.983687347655159 Energy: 1.7670105818439974 Energy: 1.7991211327049783 Energy: 1.8015218004916098 Energy: 1.8691387815710834 Energy: 1.9818604882012323 Energy: 1.797938877557218 Energy: 1.827012039010115 Energy: 1.820384653434877 Energy: 1.7909360989439693 Energy: 1.8160756579915573 Energy: 1.9044813441842439 Energy: 1.812077021470887 Energy: 1.6923863748103396 Energy: 1.8143981129697904 Energy: 1.7819090813944594 Energy: 1.8962113422154585 Energy: 1.9180984980419906 Energy: 1.8170282719082296 Energy: 1.7838851722552098 Energy: 1.610422067589724 Energy: 1.8137266291936205 Energy: 1.9252621586304552 Energy: 1.9876419696652663 Energy: 1.825777435685406 Energy: 1.8322638874799502 Energy: 1.798196149176896 Energy: 1.7280158786418056 Energy: 1.9016782886897878 Energy: 1.8910613846317534 Energy: 1.9802037146985425 Energy: 1.8880465159530682 Energy: 1.7991498577750733 Energy: 1.867339403291255 minimum gb energy = 1.5724130324583565 eV minimum distance = 2.4263296072726 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.6782324640565054 Energy: 1.8278802190844528 Energy: 1.800824514958926 Energy: 2.1768796083565847 Energy: 2.1567680801271245 Energy: 1.842464109092609 Energy: 1.7928708006015623 Energy: 1.5874462302019385 Energy: 1.7874953906124575 Energy: 1.8527005076319267 Energy: 2.024731453248364 Energy: 1.9961012310951212 Energy: 1.9230644934322423 Energy: 1.8131158512095105 Energy: 1.701350616515332 Energy: 1.8913504928987628 Energy: 1.8101712129171272 Energy: 1.8926764826720286 Energy: 1.8989771068143506 Energy: 1.9378546369351128 Energy: 1.8658074485635936 Energy: 1.8132820021723413 Energy: 1.9032613465095638 Energy: 1.7805606905364857 Energy: 1.7511149996720528 Energy: 1.785644229954268 Energy: 1.761885008463526 Energy: 1.914242225568517 Energy: 1.8415566294423773 Energy: 1.996075496184184 Energy: 1.750156818977929 Energy: 1.6932011037750199 Energy: 1.8570367754011599 Energy: 1.85760362826511 Energy: 2.089021962045416 Energy: 1.828329059245991 Energy: 1.977897612221085 Energy: 1.6856534211121739 Energy: 1.771272370693642 Energy: 1.7556822304168695 Energy: 1.696740912179875 Energy: 1.9732345540257126 Energy: 1.8153652269097593 Energy: 1.9332528243933775 Energy: 1.8304550887647144 Energy: 1.745323688111175 Energy: 1.6770635502915032 Energy: 1.7838061761536503 Energy: 2.060496887618606 Energy: 1.6577762261222582 Energy: 1.883313148991865 Energy: 1.6796312912976 Energy: 1.7938532827426423 Energy: 1.7954255452199444 Energy: 1.7724000204453025 Energy: 1.8319741129751128 Energy: 1.5726571654747323 Energy: 1.8103185731245932 Energy: 1.8447579288578824 Energy: 2.059189689577545 Energy: 1.963730477640396 Energy: 1.832158256897891 Energy: 1.8082425251173453 Energy: 1.642905773985144 Energy: 1.6691920898632908 Energy: 1.979010727188394 Energy: 2.0409085544101035 Energy: 2.002440848696191 Energy: 1.8298386257762433 Energy: 1.7516671811103188 Energy: 1.6165942484730396 Energy: 1.831949378915085 Energy: 1.8765231123381885 Energy: 2.198374102255485 Energy: 2.1349732426985417 Energy: 1.8000934944628542 Energy: 1.7558328247359536 Energy: 1.5371158916544774 Energy: 1.716987586194652 Energy: 1.8045810834856066 Energy: 1.9695320238933838 Energy: 2.115719885393207 Energy: 1.8038828406215792 Energy: 1.7513684728557675 Energy: 1.642617930797052 Energy: 1.8212553786716874 Energy: 1.6430142159921035 Energy: 1.8707804442630112 Energy: 1.9535390277088172 Energy: 1.9111896762567244 Energy: 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1.7177386619119512 Energy: 1.7988654198171676 Energy: 1.8326605712102306 Energy: 1.9871306961105133 Energy: 1.8274710862895203 Energy: 1.9515730999536574 Energy: 1.666147215296525 Energy: 1.7677227122719574 Energy: 1.750547179210666 Energy: 1.7887115343995372 Energy: 1.9710765735014715 Energy: 1.8335697975782592 Energy: 2.0229231680528033 Energy: 1.7768554213349435 Energy: 1.7669273651312676 Energy: 1.8370189833331645 Energy: 1.8098807056419615 Energy: 2.0543706274935034 Energy: 1.8860394767786781 Energy: 1.9790521120308486 Energy: 1.8207542580385212 Energy: 1.760492348573009 Energy: 1.711934951984577 Energy: 1.8021350964625025 Energy: 2.0262651206841364 Energy: 1.859337941893764 Energy: 1.949941262461977 Energy: 1.8498298498016035 Energy: 1.7609136012373359 Energy: 1.7047034314493086 Energy: 1.738924535997847 Energy: 1.873369245174365 Energy: 1.5763393810250346 Energy: 1.8642824382240586 Energy: 1.861028980045899 Energy: 1.9822953595274568 Energy: 1.8549364681469742 Energy: 1.877857798138782 Energy: 1.8306993424300235 Energy: 1.6304179642956036 Energy: 1.7686766090742998 Energy: 1.8396484990865476 Energy: 2.1874656127432135 Energy: 2.042526124914504 Energy: 1.7056068279844954 Energy: 1.7647697682439678 Energy: 1.5401956427484633 Energy: 1.8040471923528714 Energy: 1.911781561508341 Energy: 2.1117399216047024 Energy: 1.8656890952207401 Energy: 1.8329794020283574 Energy: 1.7819549618792998 Energy: 1.6342981940589545 Energy: 1.8026084139161884 Energy: 1.8152757821852525 Energy: 2.0124524393375074 Energy: 2.047244248477317 Energy: 1.8678951384925058 Energy: 1.7347920262873637 Energy: 1.6392459141022058 Energy: 1.8024841846073638 Energy: 1.6909096316349317 Energy: 1.8199351839783133 Energy: 1.9898168845672621 Energy: 1.8781797414530383 Energy: 1.7785112907791467 Energy: 1.7163243766726368 Energy: 1.905492763972442 Energy: 1.81585005060879 Energy: 1.7821344875190834 Energy: 1.8027342527144374 Energy: 1.8741972064515613 Energy: 1.914600130122175 Energy: 1.742525186798572 Energy: 2.0035025765201104 Energy: 1.6740189393902234 Energy: 1.7324937358110282 Energy: 1.789996066138894 Energy: 1.8222030311415622 Energy: 1.947079675251161 Energy: 1.8286430864782528 Energy: 2.1520762632109163 Energy: 1.775864833801057 Energy: 1.7306437728286115 Energy: 1.888969149186393 Energy: 1.8234085024175168 Energy: 2.133463082308868 Energy: 1.8296803815724465 Energy: 1.9987206373723374 Energy: 1.8017963999853344 Energy: 1.737270191532343 Energy: 1.6316704203560817 Energy: 1.7423528945659499 Energy: 1.9890583020999808 Energy: 1.8302220768397222 Energy: 1.954492329612324 Energy: 1.857906258878364 Energy: 1.7468665852614544 Energy: 1.69771325684134 Energy: 1.7716698837568399 Energy: 1.9689221201556568 Energy: 1.584164446378443 Energy: 1.827716364131794 Energy: 1.8207083399066533 Energy: 1.9051189676307259 Energy: 1.827361239924178 Energy: 1.924183286232023 Energy: 1.820787320780355 Energy: 1.7016166754720794 Energy: 1.7555743458807342 Energy: 1.709571804892748 Energy: 2.1708208889945637 Energy: 1.9979178003628129 Energy: 1.9282601968433741 Energy: 1.7907915585979184 Energy: 1.5815974672383695 Energy: 1.7505141700919284 Energy: 1.940807176918638 Energy: 2.074045823032858 Energy: 2.0457944479495107 Energy: 1.6959089972695038 Energy: 1.7765871240837854 minimum gb energy = 1.4949540250430704 eV minimum distance = 2.48534085607093 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.7483820463186261 Energy: 1.903964673461316 Energy: 1.8674016879637731 Energy: 1.8635514125257615 Energy: 1.7892492694769109 Energy: 1.755710947126675 Energy: 1.8178664523580241 Energy: 1.6600657029435035 Energy: 1.868862633204539 Energy: 1.8215063609808209 Energy: 1.861226816745805 Energy: 1.7569739705228635 Energy: 1.6687403603668172 Energy: 1.8540369029112813 Energy: 1.7348647993466804 Energy: 1.8484849170790731 Energy: 1.7526969678751776 Energy: 1.8282309599401965 Energy: 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1.8973957511449528 Energy: 1.885438646218934 Energy: 1.8297945697404492 Energy: 1.858496428663629 Energy: 1.8087764480003456 Energy: 1.8713237071125879 Energy: 1.8501885416871267 Energy: 1.8633027080396154 Energy: 1.8360436503660018 Energy: 1.8136548787483049 Energy: 1.835178176221185 Energy: 1.7223976912646117 Energy: 1.8612523699368313 Energy: 1.6983872595240528 Energy: 1.9040746807786342 Energy: 1.8747081428691548 Energy: 1.7522583098108908 Energy: 1.8812903861331491 Energy: 1.7535753766344861 Energy: 1.7641171311295483 Energy: 1.695461734962905 Energy: 1.9106409236865642 Energy: 1.7898721113137308 Energy: 1.901683450523429 Energy: 1.815108926475141 Energy: 1.852247215603941 Energy: 1.9943537060913887 Energy: 1.7866290059801821 Energy: 1.8463480955295115 Energy: 1.8523887096294707 Energy: 1.8940524891077568 Energy: 2.1406855188208884 Energy: 1.8639146686716928 Energy: 1.8480038518735642 Energy: 1.7393763178322634 Energy: 1.9179632547095238 Energy: 1.834425400504953 Energy: 1.7290080628686038 Energy: 1.8964859190234569 Energy: 1.789002282487229 Energy: 1.8892735578149424 Energy: 1.7557326866617584 Energy: 1.8414942417089595 Energy: 1.9287644738835017 Energy: 1.812166258085045 Energy: 1.9002068845573565 Energy: 1.7691919337630113 Energy: 1.832688784758331 Energy: 1.8072231473998586 Energy: 1.8535796728199372 Energy: 1.8357271652309508 Energy: 1.8769493010277025 Energy: 1.8983754906052683 Energy: 1.7117714694803983 Energy: 1.8227390060389228 Energy: 1.797424378975923 Energy: 1.882109480501637 Energy: 1.8369795366297035 Energy: 1.7371193476066153 Energy: 1.8434211865126195 Energy: 1.7300518235772953 Energy: 1.877218563521239 Energy: 1.7400171431054485 Energy: 1.9431087052664608 Energy: 1.7533440146319987 Energy: 1.7863738896221961 Energy: 1.8395446959797934 Energy: 1.7850025258455375 Energy: 1.9823431573857266 Energy: 1.833621799040401 Energy: 1.854454261735488 Energy: 1.899271078186815 Energy: 1.8782292830060896 Energy: 1.9502874386113231 Energy: 1.834732122497903 Energy: 1.9213369394141173 Energy: 1.7729499733284426 Energy: 1.868424638031616 Energy: 1.8477981939703887 Energy: 1.8046318270066395 Energy: 1.8627754173834874 Energy: 1.8256788938414827 Energy: 1.789163567450051 Energy: 1.6775280322724702 Energy: 1.7786468800889563 Energy: 1.9303175610242351 Energy: 1.7970678294363707 Energy: 1.8614818363803411 Energy: 1.7772645518683872 Energy: 1.79166861233024 Energy: 1.7540907415625886 Energy: 1.8359644972564537 Energy: 1.8486858978924179 Energy: 1.8505107665482603 Energy: 1.926310918698576 Energy: 1.719521987923639 Energy: 1.7577672387215089 Energy: 1.7248494779792025 Energy: 1.831845843473929 Energy: 1.8231611394713994 Energy: 1.832648771582176 Energy: 1.8534699474740906 Energy: 1.7262711613111432 Energy: 1.8785287780662878 Energy: 1.7954016708731257 Energy: 1.9466452424141611 Energy: 1.7295602373768908 Energy: 1.7991943038508194 Energy: 1.8360561164944913 Energy: 1.8355203836574994 Energy: 1.9524645511263277 Energy: 1.92289482660859 Energy: 1.87635750616928 Energy: 1.793227718724215 Energy: 1.7740033668944024 Energy: 1.8330375899673774 Energy: 1.7878264862151612 Energy: 1.9631490534905425 Energy: 1.8591492290591287 Energy: 1.8566952937448618 Energy: 1.8486424333479277 Energy: 1.7753934467596046 Energy: 1.8255703893492092 minimum gb energy = 1.6600657029435035 eV minimum distance = 2.39328341784966 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.5245380286619392 Energy: 1.7150649079969327 Energy: 1.9222138885625064 Energy: 1.8900697283405088 Energy: 1.9622437889062696 Energy: 1.8222362347046572 Energy: 1.6547529093211524 Energy: 1.6539504016957032 Energy: 1.8576225029378082 Energy: 1.7349777486816709 Energy: 1.6434608013909404 Energy: 1.6419164581975019 Energy: 1.562742713844898 Energy: 1.8081779379636436 Energy: 1.8858434771626185 Energy: 1.7444236409738691 Energy: 1.6047650981600063 Energy: 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1.8959198802972965 Energy: 1.8754007747098491 Energy: 1.523021723467107 Energy: 1.8684050387045723 Energy: 1.9298115649970282 Energy: 1.679210456787056 Energy: 1.7115275274570474 Energy: 1.84978498756272 Energy: 1.9471645020166652 Energy: 1.8765820755396614 Energy: 1.968116634405752 Energy: 1.766119686459134 Energy: 1.5120561945095397 Energy: 1.5579711104356138 Energy: 1.6665142744987373 Energy: 1.8637586248650453 Energy: 1.6069290190773147 Energy: 1.6402945570577174 Energy: 1.5989691974127638 Energy: 1.4549061392884237 Energy: 1.6012528114923956 Energy: 1.5767997671417675 Energy: 2.1834740850444523 Energy: 1.5656393626293996 Energy: 1.6787968189261426 Energy: 1.6075331158065342 Energy: 1.777961866003207 Energy: 1.7214902829466263 Energy: 1.8099045020775706 Energy: 1.7637603303691038 Energy: 1.5163052820095584 Energy: 1.664223350919387 Energy: 1.7473761006676292 Energy: 1.7737136951520216 Energy: 1.5697394034393706 Energy: 1.9041523095416548 Energy: 1.6890476332214277 Energy: 1.849363713280843 Energy: 1.847109815819517 Energy: 1.5463434382081014 Energy: 1.7629457299969342 Energy: 1.7212447166661617 Energy: 1.5616180303220908 Energy: 1.8926339829913057 Energy: 1.653873152998663 Energy: 1.6694707342904673 Energy: 1.6933816237706565 Energy: 1.9026083131170044 Energy: 1.6838593110162687 Energy: 1.5260391445971433 Energy: 1.923240446827277 Energy: 1.509403539908648 Energy: 1.871617241506855 Energy: 1.872439620017847 Energy: 1.7633695238961435 Energy: 1.9467096441467393 Energy: 1.8216826524216718 Energy: 1.6550798003722231 Energy: 1.6058119244746334 Energy: 1.8567402931565138 Energy: 1.7394788396331806 Energy: 1.6661788017234775 Energy: 1.651131793195111 Energy: 1.6895926207692002 Energy: 1.8075297847699463 Energy: 1.8619217416082048 Energy: 1.7440655590151364 Energy: 1.60300354802764 Energy: 1.5457730852110885 Energy: 1.515773178607061 Energy: 1.60838299058407 Energy: 1.9188362583980818 Energy: 1.6084134872045215 Energy: 1.7981388160530412 Energy: 1.6770581807781306 Energy: 1.6074303598643727 Energy: 1.61009501580302 Energy: 1.749058529898333 Energy: 1.7502803266090348 Energy: 1.5655696723256396 Energy: 1.5265388933464699 Energy: 1.6565227000518126 Energy: 1.8163992015391617 Energy: 1.8944044558796171 Energy: 1.8343458766372178 Energy: 1.8943453989534753 Energy: 1.5262233728970003 Energy: 1.6216152308067444 Energy: 1.5663272199504872 Energy: 1.7458451416146463 Energy: 1.6535596332095148 Energy: 1.4861702274293598 Energy: 1.938506341730351 Energy: 1.8717936839550335 Energy: 2.0943874738127133 Energy: 1.9790178291958729 Energy: 1.8032211639257816 Energy: 1.6645077377444848 Energy: 1.587978693325472 Energy: 1.8527770881481258 Energy: 1.5228346877809025 Energy: 1.9024271467297664 Energy: 1.9624315662085436 Energy: 1.8646494650560912 Energy: 1.7223794317059602 Energy: 1.8956297299410227 Energy: 1.8754149500064423 Energy: 1.523168330433513 Energy: 1.8681559194980646 Energy: 1.9295424159677432 Energy: 1.493971581425337 Energy: 1.7230409751001494 Energy: 1.85004858955487 Energy: 1.9594153000539438 Energy: 1.8775531339686187 Energy: 1.9701934695799956 Energy: 1.7870203708269647 Energy: 1.5118990864478807 Energy: 1.5487578211282846 Energy: 1.660140679727148 Energy: 1.8794602971264418 Energy: 1.6064260487945445 Energy: 1.642656873241953 Energy: 1.6476345758124902 Energy: 1.4560197843852702 Energy: 1.688181084717656 Energy: 1.6782159203308415 Energy: 2.1829777240952892 Energy: 1.5659698835751494 Energy: 1.6785816831139027 Energy: 1.6072375984566944 Energy: 1.7783257633495932 Energy: 1.743090683352218 Energy: 1.8088092754967986 Energy: 1.7640926943812738 Energy: 1.532201827718576 Energy: 1.6656226067867597 Energy: 1.748067213692412 Energy: 1.7747469474910498 Energy: 1.5711774547102075 Energy: 1.9035914253327229 Energy: 1.68879672575494 Energy: 1.8474343982668942 Energy: 1.8470535409052935 Energy: 1.5474397191704383 Energy: 1.7647300264491317 Energy: 1.6868870906502187 Energy: 1.5595367322206257 Energy: 1.8823483475118845 Energy: 1.6539984850776348 Energy: 1.6778924595246927 Energy: 1.7026430509445265 Energy: 1.7839833960989688 Energy: 1.6793147940693676 Energy: 1.5255367238276805 Energy: 1.917689663446997 minimum gb energy = 1.4549061392884237 eV minimum distance = 2.49872157563402 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.9335232865867835 Energy: 1.980770287170644 Energy: 1.9488529636395155 Energy: 2.0417742529717793 Energy: 1.904523678581683 Energy: 1.8108835942859736 Energy: 1.9812168567689332 Energy: 1.8637233302296023 Energy: 1.972334031409442 Energy: 1.9766768056040374 Energy: 1.9738520175661753 Energy: 1.9417714390813792 Energy: 1.9347062625785714 Energy: 2.0365369435809377 Energy: 1.954964207866558 Energy: 1.7488888435373462 Energy: 1.8423384127340048 Energy: 1.908095989547862 Energy: 1.903923235068372 Energy: 1.908132220377214 Energy: 1.8651674128551827 Energy: 1.8349435708150363 Energy: 1.950411836635374 Energy: 1.6463999073259952 Energy: 1.8458904354463306 Energy: 1.7209654423052363 Energy: 1.6674448422166488 Energy: 1.9651223654501506 Energy: 1.7129118597722015 Energy: 1.7087115300125655 Energy: 1.9053718481887718 Energy: 1.650625092245803 Energy: 1.9289835026462958 Energy: 1.9981946363150531 Energy: 1.777639998759504 Energy: 1.6217719454673352 Energy: 1.678907883493375 Energy: 1.837664291388689 Energy: 2.0153257431348797 Energy: 1.9847730850868182 Energy: 1.8902902630670744 Energy: 1.6997637316612833 Energy: 1.9068685192444461 Energy: 2.02373157516499 Energy: 1.7425339686936616 Energy: 1.7719539249919822 Energy: 1.5863455514929277 Energy: 1.5857453814362326 Energy: 1.9152373195433519 Energy: 1.8171683072727585 Energy: 1.6799934988855536 Energy: 1.8730158992616377 Energy: 1.852949728420479 Energy: 1.8316570998139743 Energy: 1.7576569792552006 Energy: 1.724587717581936 Energy: 1.7506019418678467 Energy: 1.8782237557301287 Energy: 1.8872926022753496 Energy: 1.8584345236361572 Energy: 2.060353971476072 Energy: 2.0643821589352895 Energy: 1.992765036426949 Energy: 1.8485749343650093 Energy: 1.8167189990871446 Energy: 1.6972414423576592 Energy: 1.9541896155640999 Energy: 1.831258350301032 Energy: 1.8334904101922358 Energy: 1.9295014685186525 Energy: 1.871431146993755 Energy: 1.9874402018393822 Energy: 1.800464372315737 Energy: 2.160439513025041 Energy: 1.9808600369325398 Energy: 1.9479124604605842 Energy: 1.9849713581433572 Energy: 1.8761484758700557 Energy: 2.151510941644715 Energy: 2.1386816874835572 Energy: 2.0582487113495747 Energy: 1.966140185901316 Energy: 1.976672321425114 Energy: 2.0397735300957462 Energy: 1.9870232122096254 Energy: 1.9788472905312995 Energy: 1.957072134279425 Energy: 1.921411232801855 Energy: 1.867390282725686 Energy: 1.7620325199794689 Energy: 1.9375263475048077 Energy: 1.9232118995593546 Energy: 2.1022348626788574 Energy: 1.900594574457369 Energy: 1.9218203918767063 Energy: 1.8095675461846636 Energy: 1.9361316668707749 Energy: 1.9622605173030683 Energy: 1.9366883379630804 Energy: 1.7673306003596738 Energy: 1.7503341571618583 Energy: 1.8554714863990165 Energy: 1.9119609095117123 Energy: 1.9143125958133849 Energy: 1.9381980530612652 Energy: 2.0748551541817166 Energy: 1.8396840662660254 Energy: 1.6622304331068296 Energy: 1.9253958374713043 Energy: 1.7747828431650503 Energy: 1.8224712919942434 Energy: 2.045934947312415 Energy: 1.7176738558762907 Energy: 1.874558547495408 Energy: 1.8342798054536582 Energy: 1.758487747060361 Energy: 2.0109774072816973 Energy: 1.8689633916008364 Energy: 1.8075194517568522 Energy: 1.5590900958658584 Energy: 1.665065772210127 Energy: 1.9258408671758882 Energy: 2.0553739913241573 Energy: 2.0840408597044937 Energy: 1.8311380067731349 Energy: 1.8635771239621308 Energy: 1.6216270587192851 Energy: 1.8021823367758532 Energy: 1.8560726671439916 Energy: 1.7783143679490194 Energy: 1.604943436416366 Energy: 1.6365160768101092 Energy: 1.735680237729597 Energy: 1.8960889245979484 Energy: 1.8921591231063901 Energy: 1.7822304815978027 Energy: 1.745095732956448 Energy: 1.7160766648364683 Energy: 1.7245084961130361 Energy: 1.9126295936634894 Energy: 1.698492721157112 Energy: 1.9331773278532722 Energy: 1.9161833615454207 Energy: 1.8615867745538242 Energy: 1.9689916899648463 Energy: 1.8755659628167962 Energy: 1.9852312548055442 Energy: 1.8655980952702411 Energy: 1.8142240127874323 Energy: 1.6823383861743264 Energy: 1.8140743229183274 Energy: 1.860197583352795 Energy: 1.9059331300581313 Energy: 1.9708375399273752 Energy: 1.9319921913401592 Energy: 1.9543750730626468 Energy: 1.9505312331764841 Energy: 2.0180442630742594 Energy: 1.8127494043966073 Energy: 1.9652508447827532 Energy: 1.9621398789028088 Energy: 1.8700603308658095 Energy: 2.003099309236434 Energy: 2.0314378915543037 Energy: 2.0600615274538803 Energy: 1.9794947668697445 Energy: 1.9478230247433832 Energy: 1.9270462215449613 Energy: 1.9230265683785277 Energy: 2.1284109195883767 Energy: 1.9159318494770132 Energy: 1.9024194724072678 Energy: 1.8172856547670764 Energy: 1.9003019179291365 Energy: 1.9617704210780729 minimum gb energy = 1.5590900958658584 eV minimum distance = 2.43824781931621 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.940783234033871 Energy: 2.129737694071926 Energy: 1.9617987476424013 Energy: 2.06707932289512 Energy: 2.064870058715299 Energy: 1.9045992897980093 Energy: 2.0360913379996948 Energy: 1.9771163881195497 Energy: 2.11760030875758 Energy: 2.0061452455640807 Energy: 2.0743530553784084 Energy: 2.056998610177666 Energy: 1.9693087844606256 Energy: 2.1111088703586938 Energy: 2.0265066280852957 Energy: 2.0065946221927033 Energy: 1.8701191704799234 Energy: 1.8892221410135077 Energy: 1.9705262457253936 Energy: 1.875908634335579 Energy: 2.0117659351253394 Energy: 1.9695478986030284 Energy: 2.0444652944193815 Energy: 1.8567402798902093 Energy: 1.9391989846876168 Energy: 1.8914822181643174 Energy: 1.837484385092045 Energy: 2.0934767907734324 Energy: 1.7513976131101345 Energy: 1.942040912158084 Energy: 1.9172720178425209 Energy: 1.9819203723612813 Energy: 1.970388517234978 Energy: 1.9552208841186416 Energy: 1.935479810774646 Energy: 1.7589634083096335 Energy: 1.8845305127658798 Energy: 1.8533466234073348 Energy: 1.9897081161420918 Energy: 1.8567987827563173 Energy: 1.835498000380674 Energy: 1.8866487139381527 Energy: 1.9342425458710342 Energy: 1.7860988530016697 Energy: 1.979605115180592 Energy: 1.84066915593772 Energy: 1.8188894299937373 Energy: 1.8939458727497778 Energy: 2.0008170346255927 Energy: 1.9367030087750785 Energy: 1.6907424944624783 Energy: 1.8616091028711346 Energy: 1.878297726603852 Energy: 1.8996452714568044 Energy: 1.9081478873051458 Energy: 1.7165939465261992 Energy: 1.870924836256281 Energy: 1.9489090496839911 Energy: 1.828402365506737 Energy: 1.9005319373774299 Energy: 1.8080385939404326 Energy: 1.839813120375518 Energy: 1.9739963498463176 Energy: 1.7777052356290781 Energy: 1.8629810388920212 Energy: 1.8513161344309348 Energy: 1.928942699580322 Energy: 1.9626205732554904 Energy: 1.9703598764539445 Energy: 1.743908184175131 Energy: 1.7827979209013753 Energy: 1.7325552937720667 Energy: 1.9235619442399603 Energy: 1.9898201251266288 Energy: 1.9319312162322624 Energy: 1.7433371371782644 Energy: 1.7407331558003265 Energy: 1.9965264763937023 Energy: 2.0090241020242945 Energy: 1.850621374073652 Energy: 1.7879216796938113 Energy: 1.7384370316132052 Energy: 1.7615282240842598 Energy: 1.836456748267734 Energy: 1.9428601518614903 Energy: 1.700342190798671 Energy: 1.8024746702260765 Energy: 1.925445485962742 Energy: 1.8693131826401703 Energy: 1.8110629380666499 Energy: 1.8041872946212958 Energy: 1.8180952399932266 Energy: 1.8201926964786923 Energy: 1.888949802078219 Energy: 1.880633933338868 Energy: 2.0306172545670242 Energy: 1.945594703762816 Energy: 1.808759241306853 Energy: 1.7929549557270157 Energy: 1.8921946210331162 Energy: 1.7581831867447153 Energy: 1.9245893661146474 Energy: 1.9173786880931951 Energy: 1.8851311937568356 Energy: 1.9382696880011616 Energy: 1.7317859353024736 Energy: 1.882911635504428 Energy: 1.9525701879475073 Energy: 1.9676554075651653 Energy: 1.9778224592592253 Energy: 1.903307376826956 Energy: 1.8540021654233347 Energy: 1.9697346900419488 Energy: 2.125133069414924 Energy: 1.903831514194286 Energy: 1.88547720335953 Energy: 1.807683270518509 Energy: 1.8127095213590627 Energy: 2.087049696987782 Energy: 1.8622919095886774 Energy: 1.9267805820850643 Energy: 1.8309249784540305 Energy: 1.9498744316434888 Energy: 1.7667643174967065 Energy: 1.8336585860054249 Energy: 1.9359320280719177 Energy: 1.8972111497313964 Energy: 1.9941829239296867 Energy: 1.895356863090431 Energy: 1.9384975633472026 Energy: 2.088735104817343 Energy: 2.0487318928962877 Energy: 2.051961850926297 Energy: 1.9094743169780337 Energy: 2.035776085631963 Energy: 1.838924547637043 Energy: 1.9955725712471086 Energy: 2.017937154026263 Energy: 1.9262911270152847 Energy: 2.0687080133792684 Energy: 1.9489981544644281 Energy: 2.1058951728378315 Energy: 1.970799963335548 Energy: 2.01556677652271 Energy: 1.9699110476830268 Energy: 1.8987892267635893 Energy: 2.1147156981718487 Energy: 1.9284763119370472 Energy: 2.1904896261424884 Energy: 2.017489943090127 Energy: 1.9902907043595384 Energy: 1.9603393386573298 Energy: 1.8973643267550802 Energy: 2.1341742842563414 Energy: 1.9440032641120297 Energy: 2.106974371253702 Energy: 1.9619656440794373 Energy: 2.062365479054279 Energy: 2.0411453870781315 Energy: 1.9140963463708343 Energy: 2.0360637853391386 Energy: 1.9537531621455575 Energy: 2.1325098623404735 Energy: 2.0039719046694002 Energy: 2.13376672988966 Energy: 2.062817217830897 Energy: 1.9807024229040318 Energy: 2.098082542989983 Energy: 1.9533253373985773 Energy: 1.9885577174632625 Energy: 1.8811414754583358 Energy: 1.910547769401454 Energy: 1.9027539212276674 Energy: 1.888611224349715 Energy: 2.0112698083737675 Energy: 1.9965196244188996 Energy: 2.051395373578523 Energy: 1.8493863982234733 Energy: 1.9080800852275634 Energy: 1.8838160560016552 Energy: 1.82743359247038 Energy: 2.109408399526567 Energy: 1.779623356007255 Energy: 1.9985714259625627 Energy: 1.9274780452557594 Energy: 2.0061082476850833 Energy: 2.023164613180853 Energy: 2.0069398753981327 Energy: 1.9443877247932106 Energy: 1.7582525358417225 Energy: 1.857093372589358 Energy: 1.8503669276847574 Energy: 1.9866097629050774 Energy: 1.858899614533563 Energy: 1.813467360017707 Energy: 1.8857704165660114 Energy: 1.925513261587159 Energy: 1.8057987118973104 Energy: 1.9771466382526752 Energy: 1.9567625536257853 Energy: 1.8923919507207738 Energy: 1.892766222481795 Energy: 1.9145457951159266 Energy: 1.947366573303246 Energy: 1.6666031652141478 Energy: 1.8290262401635322 Energy: 1.9265766977353886 Energy: 1.8942920385002104 Energy: 1.8089569815554638 Energy: 1.8278690451807584 Energy: 1.9041848380545947 Energy: 1.9426790754182375 Energy: 1.8486240756948253 Energy: 1.8862250567082983 Energy: 1.7922967934289251 Energy: 1.8472067164673662 Energy: 1.9841960831016683 Energy: 1.8406760822393045 Energy: 1.8554444143868942 Energy: 1.8599125697573344 Energy: 1.7741182306723513 Energy: 1.9530794695722604 Energy: 1.9335402126327481 Energy: 1.7515684087735466 Energy: 1.797688447944735 Energy: 1.757304639037011 Energy: 1.878387300512159 Energy: 1.8569307392784002 Energy: 1.9611913521340116 Energy: 1.8647233622728046 Energy: 1.731129303995025 Energy: 1.890342064849014 Energy: 1.7391130140534405 Energy: 1.846875307578768 Energy: 1.861907005174193 Energy: 1.7307491868764806 Energy: 1.7485054069465544 Energy: 1.9714052746194086 Energy: 1.9236498959145014 Energy: 1.6285548775135346 Energy: 1.8188403302097755 Energy: 1.9242770767456077 Energy: 1.8920964413538315 Energy: 1.80401301375296 Energy: 1.687950689519616 Energy: 1.8466489542529723 Energy: 1.8275735335434466 Energy: 1.9292802093986179 Energy: 1.9079436271579437 Energy: 2.0481046326241867 Energy: 1.979553094185801 Energy: 1.9549843005792795 Energy: 1.7955623548236872 Energy: 1.8866518570706283 Energy: 1.7867138393494262 Energy: 1.8955279288750047 Energy: 1.8916313574014827 Energy: 1.8901631125826792 Energy: 1.8472218796648898 Energy: 1.7309744873709512 Energy: 1.8990769645704064 Energy: 1.9453738743183209 Energy: 1.9081690447541844 Energy: 1.9220323002230861 Energy: 1.8945721367075763 Energy: 1.8410724854430482 Energy: 1.9727387769646663 Energy: 2.0986070639435437 Energy: 1.9010961474057115 Energy: 1.886748004334003 Energy: 1.804138172230823 Energy: 1.7448217642189314 Energy: 2.0605929205712075 Energy: 1.8981653150066868 Energy: 1.9334895312447178 Energy: 1.9144629276858949 Energy: 1.9517720768500855 Energy: 1.8703806165419237 Energy: 1.824638935078578 Energy: 1.8866907260333021 Energy: 1.897410357822789 Energy: 1.9747069307557394 Energy: 1.9286162672579208 Energy: 2.0305589794329464 Energy: 2.094777473594158 Energy: 2.0328285424353685 Energy: 1.9966980130492007 Energy: 1.9496532315684914 Energy: 2.0469830268901874 Energy: 1.8017398115224192 Energy: 1.9919127468191622 Energy: 2.0508094690012237 Energy: 1.894745143891268 Energy: 2.0712136439607938 Energy: 1.9795146417598444 Energy: 2.1152679261250324 Energy: 1.9709784143804128 Energy: 1.9782281613873591 Energy: 1.9848810094214402 Energy: 1.9011639888107874 Energy: 2.104758074455649 Energy: 2.0359039439741697 Energy: 2.18749464314522 Energy: 2.022598300660854 Energy: 2.0522425017628065 Energy: 1.951692641387786 Energy: 1.8996892439611852 Energy: 2.1357105344465435 Energy: 1.9179405001766705 Energy: 2.1036658671155903 Energy: 1.9800351924688662 Energy: 2.0587221963695734 Energy: 2.0404788254739117 Energy: 1.9238760624105562 Energy: 2.0177663903311744 minimum gb energy = 1.6285548775135346 eV minimum distance = 2.43195532544323 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.6303174857304021 Energy: 1.6362995433327518 Energy: 1.5605439185759746 Energy: 1.61633298248801 Energy: 1.6176665917184188 Energy: 1.5604536998077434 Energy: 1.6347036619866542 Energy: 1.6956967004095351 Energy: 1.8180963404571329 Energy: 1.593003670883197 Energy: 1.5691335562032347 Energy: 1.5682647238696337 Energy: 1.593121226929546 Energy: 1.9400148460088726 Energy: 1.705248970640407 Energy: 1.8798081943141174 Energy: 1.6454903587763618 Energy: 1.6482185021344347 Energy: 1.577982461465428 Energy: 1.5951883025124145 Energy: 1.6437567355776057 Energy: 1.702850186889776 Energy: 1.88679651627163 Energy: 1.6178286387318186 Energy: 1.6208652062496525 Energy: 1.6214642029162174 Energy: 1.6159765603282799 Energy: 1.658363097193868 Energy: 1.7140592065963578 Energy: 2.050388746554339 Energy: 1.5576731046976537 Energy: 1.9500011440698928 Energy: 1.57169835015548 Energy: 1.5555710121614108 Energy: 1.9558515516405437 Energy: 1.6314685087719034 Energy: 1.900380570177813 Energy: 1.5616214210996433 Energy: 1.6178330593542534 Energy: 1.6182686379879343 Energy: 1.5602832809133294 Energy: 1.6590875711177708 Energy: 1.6314796830430034 Energy: 1.8183941298205875 Energy: 1.5982820459159837 Energy: 1.552447477404519 Energy: 1.594353397466928 Energy: 1.5960760581305957 Energy: 1.956840347637619 Energy: 1.6340268212770919 Energy: 1.8843249139255505 Energy: 1.5970121004017992 Energy: 1.5646405963582257 Energy: 1.564030185527506 Energy: 1.5976446984744515 Energy: 2.0095054155567387 Energy: 1.632219995330981 Energy: 1.884122899817486 Energy: 1.5624376781043947 Energy: 1.6182582470540652 Energy: 1.6189806138142786 Energy: 1.6136838201413926 Energy: 1.6588794980540345 Energy: 1.713344316127539 Energy: 2.020287795830999 Energy: 1.552379635937476 Energy: 1.950415990758488 Energy: 2.0836040433116585 Energy: 1.555840288759815 Energy: 1.953644600836327 Energy: 1.6336856821882537 Energy: 1.879578371960794 Energy: 1.5629749592098368 Energy: 1.6195237208289512 Energy: 1.6202634814554506 Energy: 1.6150349425290658 Energy: 1.6578118091802863 Energy: 1.7040138688528843 Energy: 1.8785945669445943 Energy: 1.596635898301629 Energy: 1.5507248670264724 Energy: 1.5648467444148526 Energy: 1.5943788411901247 Energy: 2.009789300691169 Energy: 1.6355305961580675 Energy: 1.9547977701746388 Energy: 1.5972990560416538 Energy: 1.5836936735826854 Energy: 1.5661165152460272 Energy: 1.596796990586241 Energy: 1.9390681433521846 Energy: 1.6304114985573157 Energy: 1.810988640493114 Energy: 1.5609962770545123 Energy: 1.6174160527013028 Energy: 1.6180987327994694 Energy: 1.560920395833878 Energy: 1.6359116579754165 Energy: 1.7145690464827643 Energy: 2.0531387130214664 Energy: 1.5590937228284358 Energy: 1.570323828890928 Energy: 1.569508786173309 Energy: 1.5939851595226862 Energy: 1.9544842028807001 Energy: 1.7031625727082682 Energy: 1.8837144030003106 Energy: 1.6472707851637314 Energy: 1.6470025158154622 Energy: 1.587884077766521 Energy: 1.644505930571512 Energy: 1.6428049955425033 Energy: 1.7029168418695237 Energy: 1.8876676022074883 Energy: 1.6468628354726838 Energy: 1.6471494907655253 Energy: 1.5883582711944464 Energy: 1.644042130673017 Energy: 1.6430482066606253 Energy: 1.697285820309092 Energy: 2.0523964625183795 Energy: 1.5934685523329397 Energy: 1.56902104384493 Energy: 1.5700187871489826 Energy: 1.593018425688588 Energy: 1.9391566684537314 Energy: 1.6302190837030281 Energy: 1.8760273099710512 Energy: 1.5607302540267936 Energy: 1.6168662247679035 Energy: 1.6172835353675103 Energy: 1.5600898266947343 Energy: 1.6361278682920384 Energy: 1.7260652957609404 Energy: 1.8180627601977 Energy: 1.5933378349752532 Energy: 1.566717031330633 Energy: 1.5957646030734078 Energy: 1.5943331058015089 Energy: 1.9421321209580376 minimum gb energy = 1.5507248670264724 eV minimum distance = 2.4585230622244 Angstroms sigma value = 23