Model name: model_name=EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.639085099101067 cohesive_energy=3.2833744382854766 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015348398973415344 Energy: 0.8742332780785564 Energy: 0.8401160714102335 Energy: 0.8766919375140484 Energy: 0.015348398972404618 Energy: 0.8742332780837503 Energy: 0.8401160714114406 Energy: 0.48208771740139966 Energy: 0.016175314130472136 Energy: 0.23297814894468002 Energy: 0.01623081972923646 Energy: 0.4820877174036177 Energy: 0.01617531413170747 Energy: 0.23297814894543806 Energy: 0.01534839897363995 Energy: 0.8742332780790617 Energy: 0.8401160714104581 Energy: 0.8766919375140484 Energy: 0.015348398972404618 Energy: 0.8742332780840031 Energy: 0.8401160714116934 Energy: 0.48208771740165246 Energy: 0.016175314130472136 Energy: 0.2329781489449327 Energy: 0.01623081972923646 Energy: 0.48208771740387035 Energy: 0.016175314131202104 Energy: 0.23297814894566268 Energy: 0.01534839897363995 Energy: 0.8742332780800444 Energy: 0.8401160714099808 Energy: 0.8766919375140484 Energy: 0.015348398972404618 Energy: 0.8742332780830204 Energy: 0.8401160714116934 Energy: 0.48208771740139966 Energy: 0.016175314130219453 Energy: 0.2329781489449327 Energy: 0.016230819729713748 Energy: 0.4820877174036177 Energy: 0.01617531413094942 Energy: 0.23297814894566268 minimum gb energy = 0.015348398972404618 eV minimum distance = 2.55089271769778 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.1177970604611547 Energy: 1.0913736930152036 Energy: 1.0838551453672312 Energy: 1.0912773979738029 Energy: 1.1177970604460628 Energy: 1.0913736930212403 Energy: 1.1077467199267952 Energy: 1.020844302045763 Energy: 1.0476795663729634 Energy: 1.0990943979322412 Energy: 1.0501300483076927 Energy: 1.0208443020427445 Energy: 1.0476795663608898 Energy: 1.0990943979352596 Energy: 1.0266396679584873 Energy: 1.024480128653585 Energy: 1.12814449840923 Energy: 1.036474933428749 Energy: 1.0266396679403769 Energy: 1.0244801286686769 Energy: 1.1281444984152666 Energy: 1.0954868354976424 Energy: 1.05721908804355 Energy: 1.097635660598789 Energy: 1.0399744778097009 Energy: 1.0954868354916054 Energy: 1.0572190880405312 Energy: 1.0976356605957704 Energy: 1.0363895583636846 Energy: 1.013296816200978 Energy: 1.0810625914284933 Energy: 1.0277479660882278 Energy: 1.0363895583787768 Energy: 1.0132968162221068 Energy: 1.0810625914013277 Energy: 1.068687916282147 Energy: 1.0416272167485374 Energy: 1.0653601235779855 Energy: 1.04518683280309 Energy: 1.0686879162851655 Energy: 1.0416272167515557 Energy: 1.0653601235508197 Energy: 1.0199643177401743 Energy: 1.0660157177348226 Energy: 1.150683084621603 Energy: 1.0560595868388183 Energy: 1.019964317743193 Energy: 1.0660157177348226 Energy: 1.150683084615566 Energy: 1.028161839645986 Energy: 1.0287828069069627 Energy: 1.1345278045266651 Energy: 1.0628917129836868 Energy: 1.0281618396520227 Energy: 1.0287828069129443 Energy: 1.1345278045266651 Energy: 1.0120367304596893 Energy: 1.0387353243782584 Energy: 1.1287749451841487 Energy: 1.0327461766291584 Energy: 1.0120367304657263 Energy: 1.03873532437524 Energy: 1.1287749451811302 Energy: 1.0335252541879403 Energy: 1.0635090136614944 Energy: 1.1377738376575253 Energy: 1.0399991435689355 Energy: 1.033525254203032 Energy: 1.0635090136765866 Energy: 1.137773837663562 Energy: 1.0179003519649883 Energy: 1.0363586450454427 Energy: 1.0696213630302935 Energy: 1.0721277295963978 Energy: 1.0179003519559333 Energy: 1.036358645033369 Energy: 1.069621363042367 Energy: 1.0557280071721533 Energy: 1.074870240017385 Energy: 1.0884120395199033 Energy: 1.0483938629240328 Energy: 1.0557280071600796 Energy: 1.074870240032477 Energy: 1.0884120395439958 Energy: 1.1512255403228122 Energy: 1.0838706703920304 Energy: 1.115534964282986 Energy: 1.0541915354338252 Energy: 1.1512255403107388 Energy: 1.083870670395049 Energy: 1.1155349642799677 Energy: 1.0220128382392002 Energy: 1.0697714556944546 Energy: 1.1018947535866532 Energy: 1.0248328978926207 Energy: 1.0220128382361817 Energy: 1.0697714556763442 Energy: 1.10189475359269 Energy: 1.0284050054471143 Energy: 1.0275706163134375 Energy: 1.0995695462690462 Energy: 1.0358148608316973 Energy: 1.0284050054440959 Energy: 1.0275706163134375 Energy: 1.099569546275083 Energy: 1.070790199818124 Energy: 1.1042454130190165 Energy: 1.1260587528994292 Energy: 1.1134646435291138 Energy: 1.0707901998120872 Energy: 1.1042454130310901 Energy: 1.1260587528783554 Energy: 1.0324697511288976 Energy: 1.0410808576064543 Energy: 1.0699586746279388 Energy: 1.0493365180374776 Energy: 1.0324697511107872 Energy: 1.0410808575913624 Energy: 1.0699586746279388 Energy: 1.0291718037892235 Energy: 1.015447858961887 Energy: 1.1315571496764651 Energy: 1.0494431146104575 Energy: 1.0291718037892235 Energy: 1.015447858964905 Energy: 1.1315571496674102 Energy: 1.0516576772776112 Energy: 1.0334287651599858 Energy: 1.1465753359094646 Energy: 1.038843977177282 Energy: 1.0516576772927029 Energy: 1.0334287651780962 Energy: 1.1465753359124828 Energy: 1.0332979742186836 Energy: 1.0152393233611625 Energy: 1.0905319801093811 Energy: 1.0283576272367594 Energy: 1.0332979742126467 Energy: 1.0152393233702177 Energy: 1.0905319800973075 Energy: 1.0203942225317606 Energy: 1.0723988353976621 Energy: 1.0957819131474706 Energy: 1.0339120920026217 Energy: 1.0203942225468527 Energy: 1.0723988353976621 Energy: 1.0957819131565258 Energy: 1.0212446502550505 Energy: 1.0543719325709695 Energy: 1.1173906435144259 Energy: 1.0299312286014748 Energy: 1.021244650258069 Energy: 1.0543719325830432 Energy: 1.1173906435144259 Energy: 1.0360184923894813 Energy: 1.0297565390148744 Energy: 1.150418103419848 Energy: 1.0542669870974712 Energy: 1.0360184923804263 Energy: 1.0297565390088927 Energy: 1.1504181034289032 Energy: 1.0545339732972678 Energy: 1.0557880558139943 Energy: 1.0802755594680244 Energy: 1.0660696987987268 Energy: 1.054533973300286 Energy: 1.055788055810976 Energy: 1.0802755594861349 Energy: 1.0300264808040702 Energy: 1.0604023293100748 Energy: 1.1158478664051361 Energy: 1.0381886678467738 Energy: 1.0300264807919965 Energy: 1.0604023293251665 Energy: 1.112733042238224 Energy: 1.0353705422732207 Energy: 1.0368977926371683 Energy: 1.0843851559522444 Energy: 1.077864948341848 Energy: 1.0353705422551103 Energy: 1.0368977926462237 Energy: 1.0843851559673365 Energy: 1.0793556502007229 Energy: 1.023136546797185 Energy: 1.1014429367356846 Energy: 1.0343152159251143 Energy: 1.079355650194741 Energy: 1.0231365467851115 Energy: 1.1106440268899407 Energy: 1.0683797296872601 Energy: 1.1069755273493658 Energy: 1.1015667945119136 Energy: 1.102895290362751 Energy: 1.068379729702352 Energy: 1.1069755273614394 Energy: 1.1015667944938032 Energy: 1.0651729215356842 Energy: 1.0456396125861152 Energy: 1.1207123526937326 Energy: 1.022440840303309 Energy: 1.0651729215205923 Energy: 1.0456396126012073 Energy: 1.1207123527027876 Energy: 1.0193438799171157 Energy: 1.038902165449065 Energy: 1.1364228606316484 Energy: 1.0338784052762993 Energy: 1.0193438799533365 Energy: 1.0389021654580652 Energy: 1.1364228606437219 Energy: 1.0306138346118539 Energy: 1.0693790219263728 Energy: 1.1601176973927474 Energy: 1.060926093550301 Energy: 1.030613834620909 Energy: 1.0693790219324095 Energy: 1.1601176973987843 Energy: 1.0559987285772239 Energy: 1.0190142060635008 Energy: 1.0466296058365459 Energy: 1.0546423817937867 Energy: 1.0559987285742054 Energy: 1.0190142060544456 Energy: 1.0466296058365459 Energy: 1.034819182737099 Energy: 1.0585731508125416 Energy: 1.1169668871304415 Energy: 1.0294813847845203 Energy: 1.0348191827310622 Energy: 1.058573150809523 Energy: 1.1169668871274232 Energy: 1.042649659200761 Energy: 1.0291353198105617 Energy: 1.0945305631469204 Energy: 1.0480333004003166 Energy: 1.042649659194724 Energy: 1.02913531981358 Energy: 1.0945305631529572 Energy: 1.0192999813416248 Energy: 1.0261446723239929 Energy: 1.0842109540841225 Energy: 1.0405996978352052 Energy: 1.0192999813355883 Energy: 1.0261446723480852 Energy: 1.0842109540871407 Energy: 1.0334830536126458 Energy: 1.062602804625163 Energy: 1.1028142508330943 Energy: 1.0382564465137887 Energy: 1.033483053615664 Energy: 1.062602804625163 Energy: 1.102814250824039 Energy: 1.0136762361303668 Energy: 1.039066791225876 Energy: 1.1232263784051426 Energy: 1.0332181718493183 Energy: 1.0136762361122564 Energy: 1.0390667912077656 Energy: 1.1232263784021241 Energy: 1.0258594359590367 Energy: 1.031596813710754 Energy: 1.1253537936856428 Energy: 1.0277605717124267 Energy: 1.0258594359439446 Energy: 1.0315968137077356 Energy: 1.1253537937037532 Energy: 1.0538611857907474 Energy: 1.052669581321178 Energy: 1.0916401153842856 Energy: 1.0539721057595715 Energy: 1.0538611857967841 Energy: 1.0526695813241964 Energy: 1.0916401154054145 Energy: 1.0726927645370437 Energy: 1.0600058862173662 Energy: 1.0912960720840927 Energy: 1.0571244439189353 Energy: 1.0726927645400621 Energy: 1.0600058861962924 Energy: 1.0912960721142766 Energy: 1.0638108705863714 Energy: 1.0310274566256923 Energy: 1.0833954573879372 Energy: 1.0662306533068802 Energy: 1.0638108705652973 Energy: 1.0310274566256923 Energy: 1.083395457393974 Energy: 1.072530473496522 Energy: 1.0247787599748428 Energy: 1.1019312448809275 Energy: 1.0403812852219665 Energy: 1.0725304735116137 Energy: 1.0247787599657876 Energy: 1.1019312448628171 Energy: 1.1510791767190127 Energy: 1.0546364147149425 Energy: 1.0978024404494842 Energy: 1.079994063270646 Energy: 1.151079176706939 Energy: 1.0546364147390348 Energy: 1.0978024404615576 Energy: 1.073777566423642 Energy: 1.0626888304148456 Energy: 1.0822741400205746 Energy: 1.0499391797473652 Energy: 1.0737775664115683 Energy: 1.0626888303997537 Energy: 1.0822741400296296 Energy: 1.0133997593538648 Energy: 1.0337851120672208 Energy: 1.1371603790191012 Energy: 1.0340051360176867 Energy: 1.0133997593599016 Energy: 1.0337851120702393 Energy: 1.1371603790251381 Energy: 1.0334421282548305 Energy: 1.0724535451296564 Energy: 1.1546035856118604 Energy: 1.0619963942805932 Energy: 1.033442128263886 Energy: 1.0724535451326749 Energy: 1.1546035856118604 Energy: 1.0122690000780312 Energy: 1.0529983448468536 Energy: 1.1070619221335576 Energy: 1.030377135311974 Energy: 1.0122690000870862 Energy: 1.0529983448287432 Energy: 1.1070619221456313 minimum gb energy = 1.0120367304596893 eV minimum distance = 2.17717648648761 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.1236235222746331 Energy: 1.1214978426459599 Energy: 1.123481872931196 Energy: 1.1222148479276925 Energy: 1.1236235222763462 Energy: 1.1214978426428763 Energy: 1.1203581433152576 Energy: 1.0301070523126323 Energy: 1.0431555746224488 Energy: 1.1399079458706474 Energy: 1.0594313432608957 Energy: 1.0301070523082094 Energy: 1.043155574639891 Energy: 1.13990794587099 Energy: 1.0390913013913596 Energy: 1.0544833887397072 Energy: 1.1102875373729966 Energy: 1.044716094306853 Energy: 1.039091301412602 Energy: 1.054483388719835 Energy: 1.1102875373819048 Energy: 1.05999746713627 Energy: 1.0803124604187846 Energy: 1.082100623445273 Energy: 1.0491169785711576 Energy: 1.0599974671465484 Energy: 1.080312460415701 Energy: 1.0821006234411616 Energy: 1.0579710461142113 Energy: 1.0591154294806564 Energy: 1.0296975814488976 Energy: 1.0792022719452328 Energy: 1.0579710461115015 Energy: 1.0591154294703777 Energy: 1.029697581462945 Energy: 1.0338582126728184 Energy: 1.0519133045617877 Energy: 1.058335061895197 Energy: 1.0658947524018976 Energy: 1.03385821266391 Energy: 1.0519133045727513 Energy: 1.0583350619047904 Energy: 1.076968341659602 Energy: 1.0710125775117416 Energy: 1.1151395156824024 Energy: 1.0526738384034837 Energy: 1.0769683416592595 Energy: 1.0710125775045467 Energy: 1.1151395156967923 Energy: 1.0707508365775464 Energy: 1.0378082587863664 Energy: 1.0407765363628076 Energy: 1.0651474921807833 Energy: 1.070750836565555 Energy: 1.037808258792191 Energy: 1.0407765363590389 Energy: 1.0404315728552802 Energy: 1.0792148765301501 Energy: 1.0923034841659116 Energy: 1.0494787929954263 Energy: 1.0404315728569933 Energy: 1.0792148765119913 Energy: 1.09230348415529 Energy: 1.06027304465346 Energy: 1.1544157732856144 Energy: 1.1034682457699094 Energy: 1.0423749027842586 Energy: 1.0602730446260815 Energy: 1.1544157732924358 Energy: 1.103468245771965 Energy: 1.0569010498247031 Energy: 1.099684961565833 Energy: 1.1025562260607402 Energy: 1.0407179914116431 Energy: 1.0569010498233327 Energy: 1.0996849615606936 Energy: 1.0928675226320281 Energy: 1.0371445371418346 Energy: 1.0547382652579653 Energy: 1.138880374388915 Energy: 1.050425502489074 Energy: 1.0371445371473165 Energy: 1.0547382652634474 Energy: 1.1388803744033054 Energy: 1.0281348812429218 Energy: 1.0482456571502239 Energy: 1.1329303350053508 Energy: 1.1032354376842093 Energy: 1.0281348812408664 Energy: 1.048245657147483 Energy: 1.1329303350111757 Energy: 1.0948591600329927 Energy: 1.1214978426476732 Energy: 1.1203581433080627 Energy: 1.1222148479235812 Energy: 1.0948591600295665 Energy: 1.1214978426476732 Energy: 1.120358143315943 Energy: 1.030107052315716 Energy: 1.0431555746197076 Energy: 1.1399079458719867 Energy: 1.0863648030792628 Energy: 1.0301070523075242 Energy: 1.0431555746350945 Energy: 1.1399079458736998 Energy: 1.039091301391017 Energy: 1.0544833887362808 Energy: 1.1102875373760803 Energy: 1.0447160943075382 Energy: 1.039091301408148 Energy: 1.0544833887177794 Energy: 1.1102875373894423 Energy: 1.0599974671311307 Energy: 1.0814467432307187 Energy: 1.0821006234483566 Energy: 1.0491169785756114 Energy: 1.0599974671472336 Energy: 1.0814467432320891 Energy: 1.0821006234493842 Energy: 1.0579710461231193 Energy: 1.0589708293840823 Energy: 1.0296975814519809 Energy: 1.079202271935982 Energy: 1.057971046116952 Energy: 1.0589708293912772 Energy: 1.0296975814605467 Energy: 1.0338526595323518 Energy: 1.0519133045552778 Energy: 1.0626475411216967 Energy: 1.0658947524094355 Energy: 1.0338526595254993 Energy: 1.0519133045748073 Energy: 1.0626475411323177 Energy: 1.0791412395089583 Energy: 1.0710125775110564 Energy: 1.117780072635816 Energy: 1.0526738384055394 Energy: 1.0791412395120419 Energy: 1.071012577508658 Energy: 1.1177800726227962 Energy: 1.0706753084042662 Energy: 1.037808258793219 Energy: 1.0407765363648633 Energy: 1.0653109354648134 Energy: 1.0706753084094054 Energy: 1.0378082587963025 Energy: 1.0407765363607522 Energy: 1.0404315728576787 Energy: 1.079214876519529 Energy: 1.0923034841665966 Energy: 1.04947879299851 Energy: 1.0404315728624753 Energy: 1.079214876512334 Energy: 1.1015485414283719 Energy: 1.0602730446544881 Energy: 1.1544157732818456 Energy: 1.0902367194121285 Energy: 1.042374902781175 Energy: 1.0602730446260815 Energy: 1.1544157732938065 Energy: 1.090236719417579 Energy: 1.0569010498332374 Energy: 1.1048345542313933 Energy: 1.0928675226272626 Energy: 1.0407179914041054 Energy: 1.0569010498247031 Energy: 1.1048345542310507 Energy: 1.0928675226375102 Energy: 1.0364608442437706 Energy: 1.0547382652562525 Energy: 1.1029639869817525 Energy: 1.050425502486333 Energy: 1.0364608442451408 Energy: 1.0547382652589932 Energy: 1.1029639869725016 Energy: 1.030419196179508 Energy: 1.0482456571478256 Energy: 1.1263547296787708 Energy: 1.1032354376883204 Energy: 1.03041919617848 Energy: 1.0482456571522796 Energy: 1.126354729661671 Energy: 1.1236235222705218 Energy: 1.1214978426510993 Energy: 1.1203581433080627 Energy: 1.122214847926665 Energy: 1.1236235222736053 Energy: 1.121497842643219 Energy: 1.120358143314915 Energy: 1.030107052311947 Energy: 1.043155574619365 Energy: 1.1399079458757555 Energy: 1.0594313432674052 Energy: 1.030107052305126 Energy: 1.0431555746320418 Energy: 1.1399079458764407 Energy: 1.0390913013951284 Energy: 1.0544833887379939 Energy: 1.110287537371626 Energy: 1.0447160943061677 Energy: 1.0390913014163707 Energy: 1.054483388719835 Energy: 1.1102875373832752 Energy: 1.05999746712976 Energy: 1.0803124604266647 Energy: 1.0821006234521253 Energy: 1.049116978574241 Energy: 1.0599974671434649 Energy: 1.0803124604211831 Energy: 1.0821006234497268 Energy: 1.057971046123462 Energy: 1.059115429482712 Energy: 1.0296975814454714 Energy: 1.0792022719407788 Energy: 1.0579710461155818 Energy: 1.0591154294786007 Energy: 1.0296975814571203 Energy: 1.033858212674874 Energy: 1.0519133045604172 Energy: 1.0389123427233218 Energy: 1.0658947524080649 Energy: 1.0338582126642528 Energy: 1.0519133045751499 Energy: 1.0389123427181823 Energy: 1.0769683416541516 Energy: 1.0710125775117416 Energy: 1.121860998340411 Energy: 1.0526738384017704 Energy: 1.0769683416582319 Energy: 1.071012577506945 Energy: 1.12186099836128 Energy: 1.0707508365768614 Energy: 1.0378082587969877 Energy: 1.040776536362465 Energy: 1.0651474921794128 Energy: 1.070750836567268 Energy: 1.0378082587969877 Energy: 1.0407765363614372 Energy: 1.0404315728504834 Energy: 1.0792148765253535 Energy: 1.1011225200659944 Energy: 1.0494787929937135 Energy: 1.0404315728542524 Energy: 1.0792148765154175 Energy: 1.101122520049891 Energy: 1.0602730446527748 Energy: 1.1544157732825309 Energy: 1.0810424352341026 Energy: 1.042374902777749 Energy: 1.0602730446243687 Energy: 1.1544157732920932 Energy: 1.081042435233075 Energy: 1.056901049827444 Energy: 1.099684961557953 Energy: 1.0928675226169842 Energy: 1.0407179914092446 Energy: 1.0569010498260738 Energy: 1.099684961554184 Energy: 1.0928675226289757 Energy: 1.0371445371449182 Energy: 1.054738265255567 Energy: 1.092833465613856 Energy: 1.0504255024781102 Energy: 1.0371445371469739 Energy: 1.054738265256595 Energy: 1.0928334656145415 Energy: 1.0281348812422368 Energy: 1.0482456571515946 Energy: 1.126354729673289 Energy: 1.1032354376883204 Energy: 1.0281348812405238 Energy: 1.048245657147483 Energy: 1.1263547296592726 Energy: 1.0948591600340205 Energy: 1.1214978426507565 Energy: 1.1203581433066923 Energy: 1.1222148479232388 Energy: 1.0948591600299091 Energy: 1.1214978426490434 Energy: 1.1203581433145724 Energy: 1.0301070523054685 Energy: 1.043155574623819 Energy: 1.1399079458706474 Energy: 1.086364803080976 Energy: 1.0301070522999867 Energy: 1.0431555746405765 Energy: 1.1399079458675636 minimum gb energy = 1.0281348812405238 eV minimum distance = 2.22755262864934 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.1246398838830507 Energy: 1.0702475731016774 Energy: 1.1679106498458165 Energy: 1.0972323317182748 Energy: 1.124639883882655 Energy: 1.070247573107216 Energy: 1.1555871790943297 Energy: 1.1557761541703304 Energy: 1.0840956691192567 Energy: 1.145436096687493 Energy: 1.0858215959485256 Energy: 1.155776154169539 Energy: 1.084095669122422 Energy: 1.1454360966902626 Energy: 1.0887624299604401 Energy: 1.0937859575040545 Energy: 1.1603042630355178 Energy: 1.0871271161327125 Energy: 1.0887624299560883 Energy: 1.0937859575000983 Energy: 1.1603042630299791 Energy: 1.0899230549278447 Energy: 1.0744653718092025 Energy: 1.1828157035700073 Energy: 1.0440322094073415 Energy: 1.0899230549341745 Energy: 1.0744653718143455 Energy: 1.1828157035688205 Energy: 1.097828534843573 Energy: 1.09555546261141 Energy: 1.1553711342448734 Energy: 1.1100693826269876 Energy: 1.097828534845947 Energy: 1.09555546261141 Energy: 1.1553711342448734 Energy: 1.0931145321870988 Energy: 1.0847113260535457 Energy: 1.124963033344541 Energy: 1.0821491822495233 Energy: 1.093114532195407 Energy: 1.0847113260547325 Energy: 1.1249630333441452 Energy: 1.0944244611693625 Energy: 1.1289505548800254 Energy: 1.111749357529154 Energy: 1.0820387868147825 Energy: 1.0944244611677802 Energy: 1.128950554881608 Energy: 1.0948017253798292 Energy: 1.100288875112143 Energy: 1.094449507080026 Energy: 1.1722033175250177 Energy: 1.07485596913563 Energy: 1.1002888751160995 Energy: 1.0944495070812128 Energy: 1.1722033175250177 Energy: 1.1058105431729575 Energy: 1.105553101384337 Energy: 1.1760371661053866 Energy: 1.0628341530292826 Energy: 1.1058105431761223 Energy: 1.105553101388689 Energy: 1.1760371661034084 Energy: 1.0677374758729006 Energy: 1.0791471154658698 Energy: 1.1537729194693969 Energy: 1.1340572150882813 Energy: 1.067737475870527 Energy: 1.0791471154686394 Energy: 1.1537729194729396 Energy: 1.1242985867200175 Energy: 1.0977735451529151 Energy: 1.135175633933073 Energy: 1.0581503268578467 Energy: 1.1242985867216 Energy: 1.0977735451473947 Energy: 1.1351756339283254 Energy: 1.1043435537583677 Energy: 1.0862621303844053 Energy: 1.1434007374371238 Energy: 1.1310665373173339 Energy: 1.1043435537619284 Energy: 1.0862621303927136 Energy: 1.1434007374367283 Energy: 1.1114737848449228 Energy: 1.1059684456618963 Energy: 1.1435751657050257 Energy: 1.0692541419359416 Energy: 1.1114737848401752 Energy: 1.1059684456615007 Energy: 1.143575165706608 Energy: 1.0835208136614927 Energy: 1.09071215188392 Energy: 1.170801320493045 Energy: 1.0856683728412433 Energy: 1.08352081365635 Energy: 1.0907121518855025 Energy: 1.170801320487902 Energy: 1.1069531758124993 Energy: 1.0693672473381326 Energy: 1.1743167910574863 Energy: 1.0664763238050632 Energy: 1.10695317581802 Energy: 1.0693672473377367 Energy: 1.1743167910570909 Energy: 1.0947889372756219 Energy: 1.0930618175572013 Energy: 1.123518673087581 Energy: 1.1001852822530516 Energy: 1.0947889372752262 Energy: 1.0930618175631357 Energy: 1.1235186730947022 Energy: 1.1222682339280514 Energy: 1.084728410069822 Energy: 1.1628867520074626 Energy: 1.1194409283985969 Energy: 1.122268233922135 Energy: 1.084728410068635 Energy: 1.1628867520078583 Energy: 1.1018079101558635 Energy: 1.1354631638856914 Energy: 1.1030498874318626 Energy: 1.097467184434857 Energy: 1.1018079101602152 Energy: 1.135463163885296 Energy: 1.1030498874318626 Energy: 1.1063001760546312 Energy: 1.0912587743201059 Energy: 1.1662237887180487 Energy: 1.0763814487155539 Energy: 1.1063001760518618 Energy: 1.0912587743165454 Energy: 1.1662237887168616 Energy: 1.0782463106711546 Energy: 1.0786131252065543 Energy: 1.1851779026501508 Energy: 1.0658687157395905 Energy: 1.078246310673924 Energy: 1.078613125204576 Energy: 1.1851779026509421 Energy: 1.0816883826816912 Energy: 1.0756374519259588 Energy: 1.1444645190195788 Energy: 1.1230469716932066 Energy: 1.081688382678922 Energy: 1.075637451919647 Energy: 1.1444645190243263 Energy: 1.094084393746871 Energy: 1.0776632726202264 Energy: 1.1248796219028003 Energy: 1.0579588769102815 Energy: 1.0940843937496403 Energy: 1.0776632726138964 Energy: 1.1248796219071342 Energy: 1.1316889013827287 Energy: 1.08162188286064 Energy: 1.0981146028047997 Energy: 1.1098558429438572 Energy: 1.1316889013787725 Energy: 1.0816218828594533 Energy: 1.0981146028079647 Energy: 1.1047587801648138 Energy: 1.083959003460993 Energy: 1.1619231770848601 Energy: 1.077878847430749 Energy: 1.1047587801695433 Energy: 1.0839590034621798 Energy: 1.1619231770848601 Energy: 1.076991016293538 Energy: 1.082815364169935 Energy: 1.1169349968330553 Energy: 1.0867376406211244 Energy: 1.0769910162982856 Energy: 1.082815364171913 Energy: 1.1169349968322642 Energy: 1.1371871013926316 Energy: 1.1018740811947618 Energy: 1.1142407265965197 Energy: 1.072435859457009 Energy: 1.1371871013787846 Energy: 1.1018740811991137 Energy: 1.114240726599289 Energy: 1.1072096232151114 Energy: 1.087046097582168 Energy: 1.140512841411753 Energy: 1.0951361557408341 Energy: 1.1072096232076125 Energy: 1.087046097582168 Energy: 1.140512841411753 Energy: 1.123750538158152 Energy: 1.0964015073322404 Energy: 1.147082999165304 Energy: 1.1123190149083166 Energy: 1.123750538158152 Energy: 1.0964015073369877 Energy: 1.1470829991716158 Energy: 1.088100597614149 Energy: 1.0823287487079616 Energy: 1.196679730156984 Energy: 1.0921683667768607 Energy: 1.0881005976212699 Energy: 1.0823287487091484 Energy: 1.1811936185334124 Energy: 1.1071359877920661 Energy: 1.0586820763216562 Energy: 1.1677725866929665 Energy: 1.0599471933534084 Energy: 1.1071359877912748 Energy: 1.0586820763220515 Energy: 1.1677725866898017 Energy: 1.1282327497349383 Energy: 1.095549578421318 Energy: 1.1569459525062697 Energy: 1.083515885691184 Energy: 1.128232749730982 Energy: 1.0955495784197355 Energy: 1.156945952505083 Energy: 1.1124087787953618 Energy: 1.0724083548124155 Energy: 1.0874151936258907 Energy: 1.0843640802536432 Energy: 1.1124087787925925 Energy: 1.0724083548147894 Energy: 1.087415193623517 Energy: 1.0826846617220602 Energy: 1.1244556975758406 Energy: 1.1114738779280622 Energy: 1.0820238043451451 Energy: 1.08268466172839 Energy: 1.1244556975833573 Energy: 1.0910316354856455 Energy: 1.0835210520448277 Energy: 1.075413502425762 Energy: 1.183043661248264 Energy: 1.0997974526386873 Energy: 1.083521052044432 Energy: 1.075413502425762 Energy: 1.1830436612494506 Energy: 1.1057936252573444 Energy: 1.0929919023734709 Energy: 1.1601890125714747 Energy: 1.0895371352994447 Energy: 1.1057936252569487 Energy: 1.092991902372284 Energy: 1.15443988245286 Energy: 1.0677126887581858 Energy: 1.093239795895794 Energy: 1.17952907996575 Energy: 1.1088845422415547 Energy: 1.067712688756999 Energy: 1.0932397959033109 Energy: 1.179529079966937 minimum gb energy = 1.0440322094073415 eV minimum distance = 2.2514618454198 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.076595695104901 Energy: 1.0811864805462301 Energy: 1.136640149946684 Energy: 1.0811744235946659 Energy: 1.0765956951077023 Energy: 1.081186480541561 Energy: 1.1027836789470087 Energy: 1.0648525118985932 Energy: 1.110959537225434 Energy: 0.9818111641657798 Energy: 1.1105388380451324 Energy: 1.064852511910733 Energy: 1.1109595372273018 Energy: 0.9818111641732504 Energy: 1.0763604670040698 Energy: 1.0194089884969235 Energy: 1.071394957351647 Energy: 1.0546669770462345 Energy: 1.0763604670120073 Energy: 1.0194089884922546 Energy: 1.071394957340441 Energy: 1.0700234337593792 Energy: 1.1108017518765447 Energy: 0.981762581095039 Energy: 1.0633958483414694 Energy: 1.0700234337855263 Energy: 1.1108017518718756 Energy: 0.9817625810889691 Energy: 1.1030150630865418 Energy: 1.0546655615395022 Energy: 1.0544120180553878 Energy: 1.0547703583965782 Energy: 1.1030150630842073 Energy: 1.054665561534833 Energy: 1.0544120180451582 Energy: 1.0700648348433466 Energy: 1.0356654742076612 Energy: 1.1829138135761228 Energy: 1.0623497358715068 Energy: 1.0700648348316737 Energy: 1.035665474202992 Energy: 1.1829138135859278 Energy: 1.1349301233216296 Energy: 1.0546671361692328 Energy: 1.0671110636313448 Energy: 1.0547110995543512 Energy: 1.1349301233164932 Energy: 1.0546671361799718 Energy: 1.0723274458452396 Energy: 1.0749536419693793 Energy: 1.0042940216418466 Energy: 1.1816526661164815 Energy: 1.004299272169529 Energy: 1.074953641975449 Energy: 1.0042940216250378 Energy: 1.1816526661118123 Energy: 1.1349259212858864 Energy: 1.0548313235726319 Energy: 1.0651628768361345 Energy: 1.0545891434640127 Energy: 1.1349259212854195 Energy: 1.0548313235740328 Energy: 1.0651628768389358 Energy: 1.0700677824405538 Energy: 1.0623928675980592 Energy: 1.1830055417478151 Energy: 1.035580413451382 Energy: 1.0700677824354603 Energy: 1.0623928676083312 Energy: 1.183005541749683 Energy: 1.1030181230705043 Energy: 1.054761128386496 Energy: 1.0886055918979565 Energy: 1.054642765658741 Energy: 1.1030181230691034 Energy: 1.0547611283794922 Energy: 1.0379787458889782 Energy: 1.0698847909402711 Energy: 1.063428909007861 Energy: 0.9817564493717962 Energy: 1.1109007825498989 Energy: 1.0698847909505431 Energy: 1.0634289090167324 Energy: 0.9817564493615242 Energy: 1.07642772305387 Energy: 1.054720307059993 Energy: 1.0960007989680034 Energy: 1.019402927072472 Energy: 1.0764277230468662 Energy: 1.0547203070693312 Energy: 1.0348924931815962 Energy: 1.0649063707723683 Energy: 1.1105210089476758 Energy: 0.9818140693946216 Energy: 1.1110324603159076 Energy: 1.0649063707859086 Energy: 1.1105210089430493 Energy: 0.9818140694006914 Energy: 1.0765956951020994 Energy: 1.0811864805462301 Energy: 1.102783678939071 Energy: 1.0811744235960667 Energy: 1.0765956951072353 Energy: 1.0811864805382927 Energy: 1.1027836789460748 Energy: 1.064852511899994 Energy: 1.1109595372263679 Energy: 0.9818111641639122 Energy: 1.1105388380432648 Energy: 1.064852511911667 Energy: 1.1109595372263679 Energy: 0.9818111641727836 Energy: 1.0763604670031361 Energy: 1.0194089884959898 Energy: 1.0713949573544486 Energy: 1.0546669770439 Energy: 1.0763604670115403 Energy: 1.0194089884908537 Energy: 1.0713949573455772 Energy: 1.0700234337579786 Energy: 1.110801751875144 Energy: 0.981762581094572 Energy: 1.0633958483438037 Energy: 1.0700234337864603 Energy: 1.1108017518723425 Energy: 0.9817625810880353 Energy: 1.1030150630874755 Energy: 1.0546655615418368 Energy: 1.0544120180553878 Energy: 1.0547703583970451 Energy: 1.1030150630860749 Energy: 1.0546655615367007 Energy: 1.054412018045625 Energy: 1.070064834841012 Energy: 1.0356654742099958 Energy: 1.1829138135761228 Energy: 1.0623497358701062 Energy: 1.070064834830273 Energy: 1.035665474204393 Energy: 1.1829138135873285 Energy: 1.134930123323964 Energy: 1.054667136172501 Energy: 1.0671110636318115 Energy: 1.0547110995571527 Energy: 1.134930123318361 Energy: 1.0546671361851077 Energy: 1.0465996218778943 Energy: 1.0749536419717136 Energy: 1.0042940216423133 Energy: 1.1816526661160145 Energy: 1.0042992721709298 Energy: 1.0749536419782504 Energy: 1.004294021623637 Energy: 1.1816526661094777 Energy: 1.1349259212858864 Energy: 1.0548313235707643 Energy: 1.0776859785078319 Energy: 1.0545891434635457 Energy: 1.1349259212877538 Energy: 1.0548313235735658 Energy: 1.0651628768417372 Energy: 1.0700677824363942 Energy: 1.062392867598993 Energy: 1.1830055417473484 Energy: 1.035580413450448 Energy: 1.0700677824349933 Energy: 1.062392867610199 Energy: 1.1830055417450136 Energy: 1.1030181230700373 Energy: 1.0547611283883636 Energy: 1.088605591900758 Energy: 1.0546427656601418 Energy: 1.1030181230681697 Energy: 1.054761128384628 Energy: 1.0379787458959817 Energy: 1.069884790941205 Energy: 1.063428909006927 Energy: 0.9817564493731971 Energy: 1.1109007825512995 Energy: 1.0698847909496094 Energy: 1.0634289090139308 Energy: 0.9817564493652594 Energy: 1.076427723052002 Energy: 1.0547203070590594 Energy: 1.0927457627302002 Energy: 1.0194029270776082 Energy: 1.0764277230459323 Energy: 1.0547203070674638 Energy: 1.0348924931853314 Energy: 1.0649063707761035 Energy: 1.1105210089467423 Energy: 0.9818140693983567 Energy: 1.1110324603140398 Energy: 1.0649063707877762 Energy: 1.110521008940248 Energy: 0.9818140694048935 Energy: 1.076595695104901 Energy: 1.0811864805462301 Energy: 1.102783678939071 Energy: 1.0811744235946659 Energy: 1.0765956951077023 Energy: 1.081186480540627 Energy: 1.1027836789465417 Energy: 1.0648525118976595 Energy: 1.110959537225901 Energy: 0.9818111641662468 Energy: 1.1105388380455994 Energy: 1.064852511910733 Energy: 1.1109595372273018 Energy: 0.9818111641732504 minimum gb energy = 0.9817564493615242 eV minimum distance = 2.30278217395868 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0882068784351866 Energy: 1.113628268073186 Energy: 1.0990277608189962 Energy: 1.1136847721317094 Energy: 1.088206878430652 Energy: 1.113628268072619 Energy: 1.076365178348093 Energy: 1.1165018397788358 Energy: 1.0571816456691563 Energy: 1.1002177972703053 Energy: 1.0572659744741408 Energy: 1.1165018397799695 Energy: 1.05718164567029 Energy: 1.1002177972680383 Energy: 1.0883826928712252 Energy: 1.051643664386124 Energy: 1.0491107427949957 Energy: 1.0555931830765515 Energy: 1.0883826928729259 Energy: 1.0516436643872575 Energy: 1.0491107427989632 Energy: 1.1062820561634117 Energy: 1.0567133713661108 Energy: 1.0742182627843193 Energy: 1.0600378247270519 Energy: 1.1062820561583104 Energy: 1.0567133713689447 Energy: 1.0742182627797847 Energy: 1.051198935438803 Energy: 1.0801170297524763 Energy: 1.0099013971243016 Energy: 1.0808591171222561 Energy: 1.0511989354376694 Energy: 1.0801170297519096 Energy: 1.009901397119226 Energy: 1.1065669607791084 Energy: 1.0553487725928274 Energy: 1.0923870917445815 Energy: 1.0691732306066475 Energy: 1.106566960777408 Energy: 1.0553487725922606 Energy: 1.0923870917445815 Energy: 1.0936324588052226 Energy: 1.080020089379229 Energy: 1.0549315233643803 Energy: 1.0585244190233987 Energy: 1.0936324588052226 Energy: 1.08002008938263 Energy: 1.0549315233700485 Energy: 1.0976379275091235 Energy: 1.0554917888234037 Energy: 1.0922376163310954 Energy: 1.069409206710888 Energy: 1.0976379275091235 Energy: 1.0554917888222701 Energy: 1.0922376163339296 Energy: 1.0936110682116873 Energy: 1.0668709307812945 Energy: 1.0931564998926675 Energy: 1.0806672928173526 Energy: 1.0936110682077196 Energy: 1.0668709307835615 Energy: 1.0931564998938013 Energy: 1.0927492520272117 Energy: 1.0555883503069725 Energy: 1.0627745452513735 Energy: 1.0689391472229048 Energy: 1.0927492520277786 Energy: 1.0555883503041383 Energy: 1.0627745452542074 Energy: 1.095483664716726 Energy: 1.0624611301001348 Energy: 1.092891027280273 Energy: 1.0634515393552988 Energy: 1.0954836647178596 Energy: 1.0624611300978675 Energy: 1.0928910272785726 Energy: 1.0193584041844757 Energy: 1.0757864978578746 Energy: 1.092193236791822 Energy: 1.0313621050651016 Energy: 1.019358404185609 Energy: 1.0757864978584415 Energy: 1.0921932367929557 Energy: 1.0943087277436385 Energy: 1.0551736902145503 Energy: 1.052965125606055 Energy: 1.0565208266662005 Energy: 1.094308727744772 Energy: 1.055173690218518 Energy: 1.0529651256071886 Energy: 1.019791633645186 Energy: 1.0799893624620116 Energy: 1.1507949143668845 Energy: 1.077324069191859 Energy: 1.0197916336491535 Energy: 1.079989362460311 Energy: 1.1507949143646174 Energy: 1.107355179482517 Energy: 1.027091611596689 Energy: 1.0631176026907327 Energy: 1.060012993722968 Energy: 1.1073551794836505 Energy: 1.0270916115938549 Energy: 1.063117602692433 Energy: 1.0195378747747024 Energy: 1.1197883630658723 Energy: 1.090881166841364 Energy: 1.116018608775762 Energy: 1.019537874779237 Energy: 1.1197883630658723 Energy: 1.09088116683853 Energy: 1.1091667023336305 Energy: 1.026486401109736 Energy: 1.1525657978737962 Energy: 1.0600291106202528 Energy: 1.1091667023364646 Energy: 1.0264864011052277 Energy: 1.1525657978703951 Energy: 1.019441638296089 Energy: 1.0780890052236618 Energy: 1.066150092390929 Energy: 1.0957202933944543 Energy: 1.019441638296089 Energy: 1.0780890052247953 Energy: 1.0661500923886618 Energy: 1.0885281880338036 Energy: 1.0264347771198812 Energy: 1.1019726177197229 Energy: 1.062192644063126 Energy: 1.0885281880360707 Energy: 1.026434777117073 Energy: 1.1019726177151883 Energy: 1.01996379220753 Energy: 1.0948589534106385 Energy: 1.0619993351991852 Energy: 1.0948948165345576 Energy: 1.0199637922148728 Energy: 1.0948589534129058 Energy: 1.0619993351963513 Energy: 1.0885480297963002 Energy: 1.0621701412361109 Energy: 1.1018492121893768 Energy: 1.026501040774747 Energy: 1.0885480297917656 Energy: 1.062170141233277 Energy: 1.1018492121876764 Energy: 1.0194496229230545 Energy: 1.0958471436247588 Energy: 1.0661419571167243 Energy: 1.0781472266631753 Energy: 1.0194496229230545 Energy: 1.09584714362986 Energy: 1.0661419571167243 Energy: 1.1092356201834868 Energy: 1.0600680112406815 Energy: 1.0758963057641024 Energy: 1.026517887545051 Energy: 1.109235620185754 Energy: 1.0600680112401146 Energy: 1.075896305765236 Energy: 1.0194237664980739 Energy: 1.1160295301714231 Energy: 1.0907173124266443 Energy: 1.119829334181398 Energy: 1.01942376649694 Energy: 1.1160295301651881 Energy: 1.0907173124198424 Energy: 1.107340207165746 Energy: 1.0599978959877896 Energy: 1.1232241988780227 Energy: 1.0271538464511494 Energy: 1.107340207165746 Energy: 1.0599978959849554 Energy: 1.1232241988780227 minimum gb energy = 1.009901397119226 eV minimum distance = 2.25695601852689 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.109572341232926 Energy: 1.1102492919426892 Energy: 1.0914133426031365 Energy: 1.1119515600262024 Energy: 1.109572341228497 Energy: 1.1102492919553426 Energy: 1.0654341748043379 Energy: 1.0885304959957465 Energy: 1.0605816336899367 Energy: 1.044657905129523 Energy: 1.0879036031190683 Energy: 1.0885304960099527 Energy: 1.0605816336880387 Energy: 1.0446579051219311 Energy: 1.0934174077662193 Energy: 1.086252266498801 Energy: 1.1007892655176166 Energy: 1.0670023549775907 Energy: 1.0934174077560965 Energy: 1.0862522664811436 Energy: 1.1007892655274516 Energy: 1.0264011211619055 Energy: 1.0618451255869412 Energy: 1.0973173766271525 Energy: 1.060196654337359 Energy: 1.0264011211615605 Energy: 1.0618451256031032 Energy: 1.0973173766249096 Energy: 1.0728815491320542 Energy: 1.0166264754393528 Energy: 1.078820716518302 Energy: 1.04346607754523 Energy: 1.072881549158569 Energy: 1.0166264754403305 Energy: 1.0788207165170365 Energy: 1.0053915360419112 Energy: 1.0451744034687651 Energy: 1.1021895972955729 Energy: 1.0197731257934881 Energy: 1.0053915360403007 Energy: 1.0451744034763573 Energy: 1.1021895972962055 Energy: 1.0512172319224118 Energy: 1.0193877424565763 Energy: 1.1078863927210165 Energy: 1.0221039844579436 Energy: 1.0512172319125765 Energy: 1.019387742461005 Energy: 1.1078863927048546 Energy: 1.0050583172016203 Energy: 1.0264512615422334 Energy: 1.0624780055017975 Energy: 1.026656307609243 Energy: 1.0050583172038634 Energy: 1.0264512615482153 Energy: 1.0624780054875334 Energy: 1.0483043614219012 Energy: 1.0293963270407531 Energy: 1.1267715606905597 Energy: 1.017178896475497 Energy: 1.0483043614152294 Energy: 1.029396327042939 Energy: 1.1267715606930904 Energy: 1.004529999275357 Energy: 1.023241736645037 Energy: 1.0617996102376623 Energy: 1.0241307040639895 Energy: 1.0045299992880106 Energy: 1.0232417366507311 Energy: 1.0617996102414584 Energy: 1.0639719652158006 Energy: 1.0561458628751272 Energy: 1.0972547502259757 Energy: 1.01906217747601 Energy: 1.063971965198086 Energy: 1.0561458628669023 Energy: 1.0972547502481191 Energy: 1.0219702926486836 Energy: 1.0354043261498207 Energy: 1.1722403968777855 Energy: 1.0297170707493004 Energy: 1.021970292659439 Energy: 1.035404326145392 Energy: 1.172240396886988 Energy: 1.0863724342817431 Energy: 1.0398125504783453 Energy: 1.128076768493021 Energy: 1.0278268454485746 Energy: 1.0863724342855392 Energy: 1.0398125504742044 Energy: 1.1280767684768591 Energy: 1.0831224158588864 Energy: 1.076603974732644 Energy: 1.1811087641185931 Energy: 1.0738673332071706 Energy: 1.0831224158516395 Energy: 1.0766039747297684 Energy: 1.1811087641043292 Energy: 1.0844485309928407 Energy: 1.054679001258355 Energy: 1.212044495594598 Energy: 1.0650715851813541 Energy: 1.0844485309824303 Energy: 1.0546790012637615 Energy: 1.2120444955981065 Energy: 1.0819725495988533 Energy: 1.0355884151514418 Energy: 1.1308634699528015 Energy: 1.0445087197335499 Energy: 1.08197254960518 Energy: 1.0355884151403414 Energy: 1.130863469942391 Energy: 1.0966178860310036 Energy: 1.039674160425824 Energy: 1.1314500759268353 Energy: 1.0161481379853545 Energy: 1.0966178860269202 Energy: 1.0396741604122501 Energy: 1.1314500759258577 Energy: 1.0219130407107793 Energy: 1.0080274936093243 Energy: 1.1417019171638594 Energy: 1.0308581278622369 Energy: 1.0219130407022092 Energy: 1.0080274936207125 Energy: 1.1417019171856577 Energy: 1.0965840164465965 Energy: 1.0240477673392523 Energy: 1.1150501929476815 Energy: 1.0535620293466317 Energy: 1.0965840164373941 Energy: 1.0240477673496624 Energy: 1.1150501929337626 Energy: 1.0042362488765073 Energy: 1.0118602815866333 Energy: 1.1213790248400544 Energy: 1.015900036689151 Energy: 1.0042362488689152 Energy: 1.0118602815866333 Energy: 1.1213790248501772 Energy: 1.0715993932927566 Energy: 1.0091972203022441 Energy: 1.0772056228312727 Energy: 1.0558026760283543 Energy: 1.0715993933123693 Energy: 1.0091972203028765 Energy: 1.0772056228464568 Energy: 1.0068182742591798 Energy: 1.021404289954786 Energy: 1.0771996787006224 Energy: 1.0248248377183378 Energy: 1.006818274261998 Energy: 1.0214042899661737 Energy: 1.077199678712643 Energy: 1.071587989710624 Energy: 1.0241029804440878 Energy: 1.0876644823672488 Energy: 1.062176490083753 Energy: 1.0715879897217244 Energy: 1.0241029804633555 Energy: 1.0876644823644306 Energy: 1.0267904191670896 Energy: 1.0371472553642704 Energy: 1.105964550792995 Energy: 1.044281582671148 Energy: 1.0267904191696202 Energy: 1.0371472553655354 Energy: 1.1059645508012195 Energy: 1.0906098924588017 Energy: 1.0602273122445973 Energy: 1.0375090463615528 Energy: 1.095224501534357 Energy: 1.0906098924569037 Energy: 1.0602273122515566 Energy: 1.0375090463583896 Energy: 1.0342767850016272 Energy: 1.1072531701171848 Energy: 1.129179646996269 Energy: 1.0126208858288344 Energy: 1.034276785005423 Energy: 1.1072531701238564 Energy: 1.129179647003516 Energy: 1.1456092224269383 Energy: 1.0653402245322285 Energy: 1.0456751380034983 Energy: 1.1229644309054503 Energy: 1.1456092224345302 Energy: 1.065340224529065 Energy: 1.0456751379980918 Energy: 1.0605558490955103 Energy: 1.133238217796233 Energy: 1.1159142980805048 Energy: 1.1003510977301998 Energy: 1.060555849083777 Energy: 1.1332382177943348 Energy: 1.1159142980877519 Energy: 1.1429399526236075 Energy: 1.0651914700539329 Energy: 1.1053443026420808 Energy: 1.1213099412883056 Energy: 1.1429399526118744 Energy: 1.0651914700542204 Energy: 1.1053443026455319 Energy: 1.0324482097881365 Energy: 1.0954802951121627 Energy: 1.1373252276139734 Energy: 1.0551699640337302 Energy: 1.0324482097944632 Energy: 1.095480295099509 Energy: 1.1373252276091996 Energy: 1.0832392455049744 Energy: 1.0672278933818131 Energy: 1.1303115743181589 Energy: 1.1007870932560866 Energy: 1.08323924549767 Energy: 1.067227893378362 Energy: 1.1303115743238528 Energy: 1.0418856135192074 Energy: 1.0268608812216466 Energy: 1.0583921396856375 Energy: 1.0437811803796737 Energy: 1.0418856135217383 Energy: 1.0268608812241773 Energy: 1.0583921396802884 Energy: 1.0558674823305856 Energy: 1.0475151339102193 Energy: 1.0959166798650595 Energy: 1.074904126357525 Energy: 1.0558674823375451 Energy: 1.0475151339010742 Energy: 1.0959166798574675 Energy: 1.0458897328099248 Energy: 1.027441738012874 Energy: 1.095831475770003 Energy: 1.0328411437667282 Energy: 1.0458897328181496 Energy: 1.0274417380137941 Energy: 1.0958314757735115 Energy: 1.0449997813811405 Energy: 1.024093633846005 Energy: 1.0884603381904576 Energy: 1.0786633810377309 Energy: 1.044999781381428 Energy: 1.0240936338381255 Energy: 1.088460338187927 Energy: 1.0467125648843605 Energy: 1.028597457846734 Energy: 1.0822051969966016 Energy: 1.029865452489766 Energy: 1.0467125648871787 Energy: 1.028597457838797 Energy: 1.0822051970025832 Energy: 1.0437526406810427 Energy: 1.050976069092027 Energy: 1.0798734131437493 Energy: 1.0779519136595712 Energy: 1.0437526406794322 Energy: 1.0509760690885186 Energy: 1.079873413132994 Energy: 1.0463753571740273 Energy: 1.027913889909987 Energy: 1.0657106201648783 Energy: 1.0469403488010331 Energy: 1.0463753571769032 Energy: 1.0279138899156812 Energy: 1.0657106201693072 Energy: 1.0610499175440062 Energy: 1.0729095107367954 Energy: 1.1681200566719954 Energy: 1.0628828311670386 Energy: 1.061049917565862 Energy: 1.0729095107475506 Energy: 1.168120056672283 Energy: 1.0505518756667165 Energy: 1.0611299464866613 Energy: 1.0909787749539048 Energy: 1.037168232289662 Energy: 1.0505518756698797 Energy: 1.0611299464806794 Energy: 1.0909787749579885 Energy: 1.0847829281306425 Energy: 1.076719200964521 Energy: 1.1615901669284137 Energy: 1.0650508896886897 Energy: 1.0847829281243155 Energy: 1.076719200951235 Energy: 1.161590166931232 Energy: 1.0504803430845449 Energy: 1.0565245174775006 Energy: 1.1639487786739302 Energy: 1.0670908302751867 Energy: 1.0504803430826466 Energy: 1.056524517487911 Energy: 1.1639487786783589 Energy: 1.0786137409792347 Energy: 1.0767933790847855 Energy: 1.1098065324406605 Energy: 1.0576746508997497 Energy: 1.0786137409707224 Energy: 1.07679337908352 Energy: 1.1098065324372097 Energy: 1.0567687852123084 Energy: 1.0387318305186695 Energy: 1.177810328461691 Energy: 1.016466838706128 Energy: 1.0567687851952263 Energy: 1.0387318305133204 Energy: 1.1778103284730217 Energy: 1.0219740225505434 Energy: 1.0693183447045698 Energy: 1.106258521971951 Energy: 1.0636641433313951 Energy: 1.0219740225410534 Energy: 1.0693183447026717 Energy: 1.1062585219652792 minimum gb energy = 1.0042362488689152 eV minimum distance = 2.18086819732285 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.016891183340224 Energy: 0.9373204582575781 Energy: 0.9973762109823371 Energy: 0.9373204582582915 Energy: 1.016891183350209 Energy: 0.9373204582590046 Energy: 1.002130896104031 Energy: 1.0168911833480694 Energy: 0.937320458260431 Energy: 1.2825848778563338 Energy: 0.9373204582597178 Energy: 1.0168911833459298 Energy: 0.9373204582575781 Energy: 1.2825848778527675 Energy: 1.0168911833509224 Energy: 0.9373204582611443 Energy: 0.9973761862289032 Energy: 0.9373204582582915 Energy: 1.016891183340224 Energy: 0.9373204582611443 Energy: 0.9973762041648293 Energy: 1.0168911833373713 Energy: 0.9373204582568649 Energy: 1.1080734405666957 Energy: 0.9373204582582915 Energy: 1.0168911833480694 Energy: 0.9373204582582915 Energy: 1.0021308961047442 Energy: 1.0168911833452168 Energy: 0.937320458260431 Energy: 0.9973761704687516 Energy: 0.9373204582611443 Energy: 1.0168911833437901 Energy: 0.9373204582582915 Energy: 1.1080734405659822 Energy: 1.0168911833516356 Energy: 0.9373204582597178 Energy: 1.108073440568835 Energy: 0.9373204582575781 Energy: 1.016891183340224 Energy: 0.9373204582590046 Energy: 1.1080734405681218 Energy: 1.0168911833387977 Energy: 0.9373204582575781 Energy: 1.0564944269060665 Energy: 0.9373204582597178 Energy: 1.0168911833487826 Energy: 0.9373204582597178 Energy: 1.0021308961061706 Energy: 1.016891183349496 Energy: 0.937320458260431 Energy: 1.1080734405695483 Energy: 0.937320458260431 Energy: 1.0168911833437901 Energy: 0.9373204582575781 Energy: 1.0564944269067797 Energy: 1.016891183350209 Energy: 0.9373204582611443 Energy: 1.0564944269060665 Energy: 0.9373204582582915 Energy: 1.0168911833387977 Energy: 0.9373204582611443 Energy: 1.0564944269067797 Energy: 1.0168911833380845 Energy: 0.9373204582575781 Energy: 1.002130896097612 Energy: 0.9373204582590046 Energy: 1.0168911833473564 Energy: 0.9373204582582915 Energy: 1.0021308961090236 Energy: 1.0168911833480694 Energy: 0.9373204582611443 Energy: 1.0564944269096328 Energy: 0.9373204582611443 Energy: 1.0168911833452168 Energy: 0.9373204582590046 Energy: 1.002130896097612 Energy: 1.016891183350209 Energy: 0.937320458260431 Energy: 1.0021308961033177 Energy: 0.9373204582575781 Energy: 1.016891183340224 Energy: 0.9373204582597178 Energy: 1.0021308960890534 Energy: 1.016891183340224 Energy: 0.9373204582582915 Energy: 1.0021308960954725 Energy: 0.9373204582597178 Energy: 1.0168911833487826 Energy: 0.9373204582597178 Energy: 1.0021308961090236 Energy: 1.016891183346643 Energy: 0.937320458260431 Energy: 1.0021308961033177 Energy: 0.937320458260431 Energy: 1.0168911833416505 Energy: 0.9373204582575781 Energy: 1.002130896097612 Energy: 1.0168911833487826 Energy: 0.9373204582611443 Energy: 1.002130896100465 Energy: 0.9373204582590046 Energy: 1.0168911833373713 Energy: 0.9373204582611443 Energy: 1.0021308960933326 Energy: 1.0168911833366578 Energy: 0.9373204582575781 Energy: 1.0021308961011781 Energy: 0.9373204582597178 Energy: 1.0168911833480694 Energy: 0.9373204582590046 Energy: 1.0021308961090236 Energy: 1.016891183346643 Energy: 0.9373204582618576 Energy: 1.002130896100465 Energy: 0.9373204582611443 Energy: 1.0168911833452168 Energy: 0.9373204582590046 Energy: 1.0021308960997517 Energy: 1.0168911833480694 Energy: 0.937320458260431 Energy: 1.002130896104031 Energy: 0.9373204582582915 Energy: 1.016891183340224 Energy: 0.9373204582597178 Energy: 1.0021308960954725 Energy: 1.0168911833387977 Energy: 0.9373204582590046 Energy: 1.0021308960990383 Energy: 0.9373204582597178 Energy: 1.016891183349496 Energy: 0.937320458260431 Energy: 1.0021308961075972 Energy: 1.0168911833480694 Energy: 0.9373204582611443 Energy: 1.0021308960997517 Energy: 0.937320458260431 Energy: 1.0168911833437901 Energy: 0.9373204582582915 Energy: 1.002130896097612 minimum gb energy = 0.9373204582568649 eV minimum distance = 2.37380645035767 Angstroms sigma value = 23