Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.567322999238968 cohesive_energy=4.225801871834611 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.01686618661228595 Energy: 0.031476071992299744 Energy: 0.030332679294216753 Energy: 0.03147607199419624 Energy: 0.031476071992299744 Energy: 1.2931052833405112 Energy: 0.031476071992299744 Energy: 1.2931052833411552 Energy: 0.030332679292928568 Energy: 0.03147607198915084 Energy: 0.01686618661228595 Energy: 0.031476071992908056 Energy: 0.03147607199419624 Energy: 1.2931052833411552 Energy: 0.03147607198850675 Energy: 1.2931052833411552 minimum gb energy = 0.01686618661228595 eV minimum distance = 2.44144576076571 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5684946957328028 Energy: 0.578520444102226 Energy: 0.33052867200721453 Energy: 0.578520444102226 Energy: 0.523003403131563 Energy: 0.5474123504450777 Energy: 0.5219574460561457 Energy: 0.5474123742672836 Energy: 0.42917541403016507 Energy: 0.538748857026663 Energy: 0.5262321789611734 Energy: 0.5387488570258818 Energy: 0.4856417388105397 Energy: 0.6115377243425788 Energy: 0.5300313034754724 Energy: 0.6115377243090606 Energy: 0.48402054451442345 Energy: 0.5892445777796249 Energy: 0.4572426909275824 Energy: 0.5892445777780626 Energy: 0.4346715500613376 Energy: 0.774521605187628 Energy: 0.41585772342224814 Energy: 0.7745216051899714 Energy: 0.5099316552724764 Energy: 0.5495140387273413 Energy: 0.45304423281307965 Energy: 0.5495140387266312 Energy: 0.31322716759530356 Energy: 0.5787005554550506 Energy: 0.3648291324091595 Energy: 0.5787005554550506 Energy: 0.52993026751511 Energy: 0.7512099527438872 Energy: 0.48724360164432867 Energy: 0.7512099527938098 Energy: 0.4130226859603374 Energy: 0.5359123316896361 Energy: 0.23600430506066322 Energy: 0.5359123316896361 Energy: 0.4921925966729007 Energy: 0.5640042697154285 Energy: 0.5294301520376459 Energy: 0.5640042695553644 Energy: 0.37126500736884877 Energy: 0.5843062827329593 Energy: 0.7652238288176305 Energy: 0.5843062827313971 Energy: 0.5254177055092034 Energy: 0.525247757751593 Energy: 0.5314221492196829 Energy: 0.525247757750812 Energy: 0.4855532620319055 Energy: 0.559910922210926 Energy: 0.47878658826909737 Energy: 0.559910922210926 Energy: 0.502372053961594 Energy: 0.5882233995461407 Energy: 0.5322263931845811 Energy: 0.5882233995453596 Energy: 0.47348244931391953 Energy: 0.5907206967070017 Energy: 0.5276375943320682 Energy: 0.5907206967070017 Energy: 0.5219316611770338 Energy: 0.5410161825480795 Energy: 0.38838889448864794 Energy: 0.5410161825488606 Energy: 0.5192924129043124 Energy: 0.5573948598066373 Energy: 0.5149700826207666 Energy: 0.5573948598058561 Energy: 0.3059674900895489 Energy: 0.5846887903477949 Energy: 0.4662543539752436 Energy: 0.5846887903477949 Energy: 0.5203123028921145 Energy: 0.620845235177303 Energy: 0.5376086649824592 Energy: 0.6208925388868299 Energy: 0.399270809113781 Energy: 0.5380432461509936 Energy: 0.339066553679019 Energy: 0.5380432461502126 Energy: 0.5072751245922658 Energy: 1.0989183029480813 Energy: 0.4632619772230522 Energy: 1.098918302909805 Energy: 0.46184631025593437 Energy: 0.5854147245991269 Energy: 0.38453090090988346 Energy: 0.5854147245991269 Energy: 0.4257625055025516 Energy: 0.541306676667296 Energy: 0.4464592038270913 Energy: 0.5413066766665149 Energy: 0.44107084584364137 Energy: 0.7828348067142353 Energy: 0.5142915560455444 Energy: 0.7828348067173599 Energy: 0.4775860540816514 Energy: 0.5802515331648274 Energy: 0.3889956634490008 Energy: 0.5802515331663897 Energy: 0.5033900239147184 Energy: 0.8151867306166802 Energy: 0.5250383071302922 Energy: 0.8151867306174614 Energy: 0.34537056226998586 Energy: 0.5427139326678824 Energy: 0.5367211218372219 Energy: 0.5427139326686635 Energy: 0.5217909642469636 Energy: 0.5737225089727955 Energy: 0.49885720537154377 Energy: 0.5737225300692255 Energy: 0.5653082819354386 Energy: 0.9260835886268529 Energy: 0.417208766721916 Energy: 0.9260835886237284 Energy: 0.5417247761857672 Energy: 0.5699882874889453 Energy: 0.5275720753808386 Energy: 0.5699882874686354 Energy: 0.45487646362731415 Energy: 0.517527554073692 Energy: 0.5251025838350857 Energy: 0.5175275540744732 Energy: 0.47287040713737194 Energy: 0.5914246314621273 Energy: 0.4904720105121509 Energy: 0.5914246313832314 minimum gb energy = 0.23600430506066322 eV minimum distance = 2.2566095031202 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.8950511045133942 Energy: 0.7552910899074355 Energy: 0.5205801865554756 Energy: 0.7552910899261391 Energy: 0.6458491410590539 Energy: 0.7617119313622117 Energy: 0.6606041720790478 Energy: 0.7617119287181721 Energy: 0.4842200298458582 Energy: 0.7225326049010258 Energy: 0.6347848016985352 Energy: 0.7225326049001352 Energy: 0.6327202610915899 Energy: 0.6912327578745101 Energy: 0.6001394728509625 Energy: 0.6912327497821564 Energy: 0.6216679278447016 Energy: 0.7149038199050046 Energy: 0.6050270752582051 Energy: 0.7149038199121299 Energy: 0.61527097441963 Energy: 0.7217838884500853 Energy: 0.5989063444625831 Energy: 0.7217838884500853 Energy: 0.6171846331947025 Energy: 0.7048712193243469 Energy: 0.6689087499377057 Energy: 0.7048712192246354 Energy: 0.3881849647244008 Energy: 0.748413918848295 Energy: 0.4958878688059652 Energy: 0.7484139186248646 Energy: 0.614470467284778 Energy: 0.7020582247379638 Energy: 0.644507341150567 Energy: 0.7020581625113176 Energy: 0.5909473396748659 Energy: 0.7434382797007245 Energy: 0.49093392239119626 Energy: 0.7434382796998338 Energy: 0.5874236363201136 Energy: 0.7215913430343696 Energy: 0.6739867398619969 Energy: 0.7215913424352494 Energy: 0.5322471927901928 Energy: 0.7081609095929507 Energy: 0.6349959627437808 Energy: 0.7081609095956227 Energy: 0.7012718806581286 Energy: 0.6954725500323333 Energy: 0.610937137348297 Energy: 0.6954725500341146 Energy: 0.7009359285118678 Energy: 0.7076551565021241 Energy: 0.5979740207207347 Energy: 0.7076551565012333 Energy: 0.5465439253456814 Energy: 0.7133023746418298 Energy: 0.6454039578623584 Energy: 0.713302374658752 Energy: 0.5855762954573773 Energy: 0.7179463864775583 Energy: 0.6549218619128262 Energy: 0.7179463864606362 Energy: 0.5914845694540772 Energy: 0.7501609174307141 Energy: 0.4683404665990844 Energy: 0.7501609174307141 Energy: 0.6362206773969034 Energy: 0.9778121084740331 Energy: 0.6411885865338613 Energy: 0.9778120699226964 Energy: 0.4291225752137942 Energy: 0.7096068565266945 Energy: 0.48153949078114083 Energy: 0.7096068604143975 Energy: 0.6125240048180121 Energy: 0.689562302163392 Energy: 0.6047183710167575 Energy: 0.6895623021046499 Energy: 0.6142984573844283 Energy: 0.7163057738633236 Energy: 0.5555263551597901 Energy: 0.7163057738633236 Energy: 0.6159480362177931 Energy: 0.6945934938004341 Energy: 0.6126264274488797 Energy: 0.6945934938636699 Energy: 0.6271277133659315 Energy: 0.7037027871211159 Energy: 0.5580909680257184 Energy: 0.7037027871193346 Energy: 0.5160132204170067 Energy: 0.7449625839317484 Energy: 0.6444490069903313 Energy: 0.7449625839272952 Energy: 0.6465382485932647 Energy: 0.7156396459846096 Energy: 0.6597870346302293 Energy: 0.7156396440251518 Energy: 0.8950511045160661 Energy: 0.7552910898869913 Energy: 0.5205801865563663 Energy: 0.7552910898869913 Energy: 0.6458491410590539 Energy: 0.7617119091246853 Energy: 0.6606041720790478 Energy: 0.7617119178989893 Energy: 0.4842200298093418 Energy: 0.7225326047042744 Energy: 0.6347848016958634 Energy: 0.7225326046615235 Energy: 0.6327202610924806 Energy: 0.6912327571284741 Energy: 0.600139472850072 Energy: 0.6912327523941327 minimum gb energy = 0.3881849647244008 eV minimum distance = 2.2470738659522 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.8856855304206888 Energy: 0.865563094666896 Energy: 0.6948490870454155 Energy: 0.8655630946658606 Energy: 0.8332511478276573 Energy: 0.8440112579945321 Energy: 0.8144432281116442 Energy: 0.8440112580234748 Energy: 0.6628189466218869 Energy: 1.0392253752991294 Energy: 0.7537276629605304 Energy: 1.0392253753001648 Energy: 0.7319514727488338 Energy: 0.9024325734709774 Energy: 0.7372558691931392 Energy: 0.9024325734678713 Energy: 0.714329524390531 Energy: 1.1305434829595946 Energy: 0.692020982090611 Energy: 1.13054348296063 Energy: 0.7904751863568296 Energy: 0.9823337422916184 Energy: 0.803622007175807 Energy: 0.9823337423071488 Energy: 0.7867146332768495 Energy: 0.7917127488702083 Energy: 0.7801534356869804 Energy: 0.7917127501172438 Energy: 0.7391070479052131 Energy: 0.8606818430597001 Energy: 0.5855346346797714 Energy: 0.8606818430597001 Energy: 0.7298295540397952 Energy: 0.8757632546410407 Energy: 0.7822984746610392 Energy: 0.8757632544671484 Energy: 0.7599433386109956 Energy: 0.9812971667304531 Energy: 0.6998732647535977 Energy: 0.9812971667738908 Energy: 0.7762293224304895 Energy: 0.9084192719654415 Energy: 0.8295895287859911 Energy: 0.9084192719644061 Energy: 0.6923340171892011 Energy: 0.8928500319570571 Energy: 0.8149498313433722 Energy: 0.8928500319560218 Energy: 0.7609507451949996 Energy: 0.8952035695345529 Energy: 0.685841694518486 Energy: 0.8952035695335178 Energy: 0.7456368688445895 Energy: 0.8660376360427732 Energy: 0.76748729178877 Energy: 0.8660376360386317 Energy: 0.6011939255337359 Energy: 0.863953808943378 Energy: 0.6207137152305755 Energy: 0.8639538089444135 Energy: 0.8104919012822035 Energy: 0.8432239679610566 Energy: 0.7450734515428745 Energy: 0.8432239667750596 Energy: 0.5739140268381612 Energy: 0.966347189666192 Energy: 0.5705852445861537 Energy: 0.966347189666192 Energy: 0.7098098981368561 Energy: 1.1274718814238838 Energy: 0.7313923345334223 Energy: 1.1274718814238838 Energy: 0.6621416206210938 Energy: 0.8789560763415538 Energy: 0.7294763358737794 Energy: 0.8789558348781781 Energy: 0.8211924739985096 Energy: 1.01444706186683 Energy: 0.7761877911280552 Energy: 1.0144470618678652 Energy: 0.8172103623654497 Energy: 0.8489896461161947 Energy: 0.8015295059908615 Energy: 0.8489896461131354 Energy: 0.8127189668547451 Energy: 0.8677380062443335 Energy: 0.7594190407287496 Energy: 0.8677380062412274 Energy: 0.8055966332051927 Energy: 0.8954283339252922 Energy: 0.825296256346459 Energy: 0.8954283339201625 Energy: 0.6745669190990146 Energy: 0.9948994559708716 Energy: 0.7907193414298578 Energy: 0.9948994560195333 Energy: 0.8031481227936602 Energy: 0.8808717797732586 Energy: 0.7260665006201499 Energy: 0.8808717797546222 minimum gb energy = 0.5705852445861537 eV minimum distance = 2.21720607304508 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.145651528217298 Energy: 1.0297088730555815 Energy: 0.7917785502173882 Energy: 1.0297088709667161 Energy: 0.8892847395104427 Energy: 1.4632595189995627 Energy: 0.9334556091624606 Energy: 1.4632595189995627 Energy: 0.808376656003246 Energy: 1.223207729178685 Energy: 0.8334762696965662 Energy: 1.2232077291836256 Energy: 1.177297725550934 Energy: 1.0635071343952962 Energy: 0.7844644044659074 Energy: 1.0635071343952962 Energy: 0.9782806921187709 Energy: 1.2024433639731882 Energy: 0.8616028158346197 Energy: 1.202443364000332 Energy: 0.7031287661001224 Energy: 1.0452673457792783 Energy: 0.897640738902462 Energy: 1.0452673457805135 Energy: 1.0359013902824976 Energy: 0.8224622354624841 Energy: 0.7643142809551582 Energy: 0.8224644748047473 Energy: 0.8271440769457903 Energy: 1.0425111977357273 Energy: 0.7630859051768791 Energy: 1.0425111979073503 Energy: 1.019801144983281 Energy: 1.248090889182009 Energy: 0.9309706012129975 Energy: 1.248090889182009 Energy: 0.9637107478063035 Energy: 1.060971910842166 Energy: 0.9071942764219911 Energy: 1.0609719107989655 Energy: 0.895292934778976 Energy: 1.0259787414768011 Energy: 0.8598404759889717 Energy: 1.0259787414842116 Energy: 0.9608295598215004 Energy: 1.1819614507260927 Energy: 0.7455801172380482 Energy: 1.1819614506236074 Energy: 0.7150426474604441 Energy: 1.052552259432504 Energy: 0.784407993528499 Energy: 1.0525522593893037 Energy: 0.7529177150270624 Energy: 0.9513884720486685 Energy: 0.9110913045801413 Energy: 0.951388240299596 Energy: 0.7135714307867909 Energy: 1.040603951837188 Energy: 0.8103447107236925 Energy: 1.0406039518779462 Energy: 0.9534341646016424 Energy: 1.2122927727529325 Energy: 0.7471755029732732 Energy: 1.2122927727516972 Energy: 0.9008416286501857 Energy: 1.0343568692441 Energy: 0.8910964559416242 Energy: 1.0343568692441 Energy: 0.964070066365452 Energy: 1.0531194388525056 Energy: 0.8977251583979101 Energy: 1.0531194393994028 Energy: 1.0212586701693889 Energy: 1.2781944580953783 Energy: 0.9305404475927995 Energy: 1.2781944580941431 Energy: 0.7972454301927302 Energy: 1.072829434138172 Energy: 0.7475023203212516 Energy: 1.072829434028276 Energy: 1.0461279198088833 Energy: 0.7528438476689769 Energy: 0.7604622622171209 Energy: 0.7528438471961296 minimum gb energy = 0.7031287661001224 eV minimum distance = 2.26862960182234 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.9399456777643599 Energy: 1.1053021400462133 Energy: 0.9372624184452082 Energy: 1.105302140108804 Energy: 0.7904455838749935 Energy: 1.4208807104332135 Energy: 1.1824227252777855 Energy: 1.4208807104332135 Energy: 0.7297966554425906 Energy: 1.2838115674299886 Energy: 1.0359331933361768 Energy: 1.2838115674299886 Energy: 0.8948223436592803 Energy: 1.4689459975906412 Energy: 0.9952853317355158 Energy: 1.4689459975906412 Energy: 0.8580922861673136 Energy: 1.1910223238164088 Energy: 0.9401276569464961 Energy: 1.1910223238011344 Energy: 1.0155795774829537 Energy: 1.28432600555529 Energy: 0.747316361538456 Energy: 1.28432600555529 Energy: 1.2497327297388574 Energy: 0.9766632178562771 Energy: 0.8950339496511599 Energy: 0.976663217931087 Energy: 0.9800821709669815 Energy: 1.415488762130852 Energy: 0.8758103432654002 Energy: 1.415488762130852 Energy: 1.0398781882629256 Energy: 1.3289804546670207 Energy: 0.7930597219294314 Energy: 1.3289804546685484 Energy: 1.0267052436941642 Energy: 1.2819012983933717 Energy: 1.0127502353752076 Energy: 1.2819012983903169 Energy: 0.8881525778408584 Energy: 1.416500314779902 Energy: 0.9350626739245208 Energy: 1.4165003147783746 Energy: 1.1779603063603727 Energy: 0.9548220505785379 Energy: 1.0765850542013893 Energy: 0.9548220335871992 Energy: 0.8650126841953619 Energy: 1.317051143994529 Energy: 1.0445349423557073 Energy: 1.3170511439930017 Energy: 1.3029826730910563 Energy: 1.1687253600278245 Energy: 0.8032495234932606 Energy: 1.1687253600278245 Energy: 1.083102786055248 Energy: 1.4048824492718128 Energy: 0.9983323468163423 Energy: 1.4048824492718128 Energy: 1.1484214859753508 Energy: 1.2837944702505952 Energy: 1.0166103758091634 Energy: 1.2837944706216249 Energy: 0.7985113618815598 Energy: 1.0655961231918567 Energy: 0.9274871218418437 Energy: 1.0655961157931686 minimum gb energy = 0.7297966554425906 eV minimum distance = 2.29162800077218 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.1131181027603427 Energy: 1.014331212665261 Energy: 0.9923967816259781 Energy: 1.0143312102778246 Energy: 0.9403358052741395 Energy: 0.9637865414382627 Energy: 0.8015142535469866 Energy: 0.9637865414322072 Energy: 0.8666478667000462 Energy: 1.080194374691426 Energy: 0.802421463350672 Energy: 1.080194374691426 Energy: 0.7974305443979985 Energy: 1.1076075662576303 Energy: 0.9129689967438485 Energy: 1.1076075662593603 Energy: 0.8383281555177886 Energy: 1.0208095564406283 Energy: 0.8505189999598609 Energy: 1.0208095593891808 Energy: 0.7479394523027432 Energy: 1.0876141271097648 Energy: 0.8210306208408201 Energy: 1.0876141272732236 Energy: 1.1414164882561857 Energy: 0.9520236504316896 Energy: 0.8721818842068143 Energy: 0.952023650437745 Energy: 0.810360105196004 Energy: 1.1150582006870053 Energy: 0.9428193907850397 Energy: 1.11505820068441 Energy: 0.9235753293222647 Energy: 1.4056933803962293 Energy: 0.9080649100640465 Energy: 1.4056933803962293 Energy: 0.9507060660532383 Energy: 1.0291829752418038 Energy: 0.8846447753774132 Energy: 1.0291829770507441 Energy: 1.0285165037156996 Energy: 1.0995938951651527 Energy: 0.8444932468098354 Energy: 1.0995938951694777 Energy: 1.0372651759938656 Energy: 0.9944134901742756 Energy: 0.9032726406962198 Energy: 0.9944134901301964 Energy: 0.8916481213872003 Energy: 1.0609173495228768 Energy: 0.95569891650464 Energy: 1.0609173493975204 Energy: 1.0424928440274666 Energy: 1.4186637159087943 Energy: 0.9309611056668893 Energy: 1.4186637159217308 Energy: 0.8552953257727529 Energy: 1.0708568748763896 Energy: 1.0876140355412554 Energy: 1.0708568748729688 Energy: 0.8645540794708109 Energy: 1.0704256236095042 Energy: 1.187077912381158 Energy: 1.070425616732668 Energy: 1.128911494038663 Energy: 1.0650595379164214 Energy: 0.9780211014459687 Energy: 1.0650595385389967 Energy: 0.8231708185632586 Energy: 1.0366994870502109 Energy: 0.7872584776594936 Energy: 1.0366994870346395 Energy: 1.1033377743744874 Energy: 1.0609072046201207 Energy: 0.8808422673897626 Energy: 1.0609072046123351 Energy: 0.9493130426104109 Energy: 1.0581771679935619 Energy: 0.7803565619925362 Energy: 1.0581770114767197 Energy: 0.8610152843856363 Energy: 1.1150331783442644 Energy: 0.8402055082608643 Energy: 1.1150331784454381 Energy: 0.8750304058155838 Energy: 1.06812505938897 Energy: 0.9946427827043831 Energy: 1.0681255283808966 Energy: 0.9296080474831279 Energy: 1.0880887225171836 Energy: 1.034582363669155 Energy: 1.088088714646814 Energy: 0.8975491350989839 Energy: 1.0684752573945686 Energy: 0.9095458748518805 Energy: 1.068475255594279 Energy: 0.9506147199232975 Energy: 1.0713573490651476 Energy: 0.9092633793557933 Energy: 1.0713573490832748 Energy: 0.9484007987093568 Energy: 1.2979005820262792 Energy: 1.060830089097179 Energy: 1.2979005818758356 Energy: 0.8383140556969043 Energy: 1.1249012631389188 Energy: 0.9311356414047282 Energy: 1.124901263141514 Energy: 0.8426457337719382 Energy: 1.0759136323321539 Energy: 0.8365018614155779 Energy: 1.0759136431139174 Energy: 0.9581755348750569 Energy: 1.1990145341641945 Energy: 0.7683904970052504 Energy: 1.1990145341719802 Energy: 0.9673641073387494 Energy: 1.0531004860320583 Energy: 0.83259872713056 Energy: 1.053100486027733 minimum gb energy = 0.7479394523027432 eV minimum distance = 2.26836656861756 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.0226685591436329 Energy: 1.1000247203947529 Energy: 1.0638919418455273 Energy: 1.1000247203947529 Energy: 1.0998776355222235 Energy: 1.2421328775132479 Energy: 1.024265312244522 Energy: 1.242132877525152 Energy: 1.0225646400443813 Energy: 1.2529023023989703 Energy: 1.2850284664031617 Energy: 1.2529023023989703 Energy: 1.0282213341800577 Energy: 1.2937883795556309 Energy: 1.1270906229752333 Energy: 1.2937883795536396 Energy: 1.1368738247863999 Energy: 1.2605837509914504 Energy: 1.165931581212628 Energy: 1.2605837509894589 Energy: 1.0226685591436329 Energy: 1.1000247204007276 Energy: 1.0624765673386962 Energy: 1.1000247204066569 Energy: 1.0998776345368633 Energy: 1.242132877602822 Energy: 1.1912000635468827 Energy: 1.2421328775948557 Energy: 1.0225646417324388 Energy: 1.2529023024009618 Energy: 1.2850284664091363 Energy: 1.2529023024009618 Energy: 1.0282213341820492 Energy: 1.2937883795536396 Energy: 0.9287353438935999 Energy: 1.2937883795536396 Energy: 1.1368738247883912 Energy: 1.2605837509934417 Energy: 1.4509035165087871 Energy: 1.2605837509914504 Energy: 1.0226685591436329 Energy: 1.100024720295221 Energy: 1.0909664630611509 Energy: 1.100024720295221 Energy: 1.0998776349389734 Energy: 1.242132877702354 Energy: 1.1912000634234525 Energy: 1.242132877696379 Energy: 1.0225646410794849 Energy: 1.2529023023989703 Energy: 1.2850284664091363 Energy: 1.2529023024009618 minimum gb energy = 0.9287353438935999 eV minimum distance = 2.27184803841838 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.8768323602937524 Energy: 1.2042254268304635 Energy: 1.2510720872996974 Energy: 1.2042254268312005 Energy: 1.1219309472481729 Energy: 0.8966940283117576 Energy: 0.8684418280957269 Energy: 0.8966940283154432 Energy: 1.0692424916149743 Energy: 1.0644506048184412 Energy: 0.8355863591245994 Energy: 1.0644506048177043 Energy: 1.201692959220002 Energy: 1.2363842778869145 Energy: 0.8123712249103205 Energy: 1.236384277883966 Energy: 1.0371984647549968 Energy: 0.9465447066704409 Energy: 0.844679311791772 Energy: 0.9465447067006622 Energy: 0.8826898207697489 Energy: 0.9582132871590725 Energy: 0.8843479927318701 Energy: 0.9582132871590725 Energy: 1.1167374295049115 Energy: 0.955269404691369 Energy: 0.8528103356999602 Energy: 0.9552694046604105 Energy: 0.834770655969165 Energy: 1.5440212330579328 Energy: 0.9603341857181593 Energy: 1.5440212330571956 Energy: 1.049235636190533 Energy: 1.2527777965679896 Energy: 0.8848827891818996 Energy: 1.2528131105787466 Energy: 0.8232420888753282 Energy: 0.970595935323926 Energy: 0.844475614813913 Energy: 0.9705959888498955 Energy: 0.8177506073609513 Energy: 1.2473678298482858 Energy: 1.0318872008795905 Energy: 1.247367829857131 Energy: 0.9853586365445962 Energy: 1.2456737512876994 Energy: 0.827729630843725 Energy: 1.2456737511499283 Energy: 0.7964098656944354 Energy: 1.1049949172349847 Energy: 1.0044176543328627 Energy: 1.1049948470600814 Energy: 1.27599522977729 Energy: 1.4526270830441088 Energy: 0.8780037749323872 Energy: 1.4526271001343658 Energy: 0.8114312666571989 Energy: 1.0974586038409349 Energy: 1.0829209968861926 Energy: 1.0974586038394607 Energy: 0.8167030532457639 Energy: 1.2332321879346508 Energy: 1.1922418537932573 Energy: 1.2332321686797918 Energy: 1.0007573351317216 Energy: 1.0546288642502821 Energy: 0.8119891005076816 Energy: 1.0546288643806823 Energy: 0.8096605511300581 Energy: 0.9568315128866796 Energy: 0.9782257713147456 Energy: 0.9568315128727415 Energy: 1.3126313917998378 Energy: 1.072559712178612 Energy: 0.8925403374373762 Energy: 1.0725597117777619 Energy: 0.8754006495780945 Energy: 0.8837781949289141 Energy: 0.9643635228232333 Energy: 0.8837781948044107 Energy: 1.2219929319944387 Energy: 1.2440464879726794 Energy: 1.1835801967795403 Energy: 1.244046494983864 Energy: 1.0792939708216138 Energy: 0.96334026035437 Energy: 0.8213867159631338 Energy: 0.9633402258998549 Energy: 0.8842761270262396 Energy: 1.0888875863054057 Energy: 0.8230243850543537 Energy: 1.0888875866914465 Energy: 1.1295863907959751 Energy: 1.4691083725439935 Energy: 0.8192976015645183 Energy: 1.4691083725454679 Energy: 0.8582457395480331 Energy: 1.2874068868788175 Energy: 1.2425466219161971 Energy: 1.2874068868891368 Energy: 1.119634910329346 Energy: 0.9376193001831581 Energy: 0.8249666104768897 Energy: 0.9376193001934776 Energy: 0.9446526641606153 Energy: 1.0416117007673034 Energy: 1.2798288743034887 Energy: 1.041611701965296 Energy: 0.8577600195272201 Energy: 1.4890752206456757 Energy: 1.262469430696987 Energy: 1.4890752206464124 Energy: 0.8740594373368739 Energy: 0.9142323061802521 Energy: 0.7695138193708457 Energy: 0.914232177990894 Energy: 0.8540833361769711 Energy: 1.3197079799750193 Energy: 1.1047323403431035 Energy: 1.319707979821769 Energy: 1.0889923625467839 Energy: 1.4832073237662684 Energy: 0.8221764070138133 Energy: 1.4832073237684795 Energy: 0.8586136354513931 Energy: 0.9040594248569329 Energy: 1.0506454451610003 Energy: 0.9040855516719208 Energy: 0.8647302483618409 Energy: 1.1306869481267154 Energy: 0.8207490095233315 Energy: 1.130686947993367 Energy: 1.2057474543201745 Energy: 1.5478061359547675 Energy: 1.1717157310484554 Energy: 1.5478061359577158 Energy: 0.8694388053125738 Energy: 1.0129030319627235 Energy: 1.052532847119413 Energy: 1.0129030939277794 minimum gb energy = 0.7695138193708457 eV minimum distance = 2.24262293638654 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.125218657920333 Energy: 1.1811724091691163 Energy: 1.2932601979443044 Energy: 1.1811724091691163 Energy: 0.9770689145109251 Energy: 1.1341557172203454 Energy: 0.9935270028765102 Energy: 1.1341557183682633 Energy: 0.8941027632695061 Energy: 1.1108052782855613 Energy: 0.9605830941449255 Energy: 1.1108052765321221 Energy: 0.9495202781166374 Energy: 1.1597692931062316 Energy: 0.9355282957612417 Energy: 1.1597688783847206 Energy: 1.026439883833547 Energy: 1.0132596521111052 Energy: 0.9488130452175262 Energy: 1.0132596559558018 Energy: 1.0328570433154503 Energy: 1.309952936799855 Energy: 1.046425484461442 Energy: 1.3099529774303602 Energy: 1.1283290308965437 Energy: 1.3559131207872985 Energy: 0.9258934373105798 Energy: 1.3559131210187478 Energy: 0.98091942293195 Energy: 1.2121541954940926 Energy: 1.1722305166502223 Energy: 1.2121578523272323 Energy: 1.2201136992937864 Energy: 0.9665222563722179 Energy: 1.0267278219976979 Energy: 0.9665222561021758 Energy: 0.8905889593243843 Energy: 1.0356319908381686 Energy: 1.0136720491295093 Energy: 1.0356319908591922 Energy: 0.9719226392119454 Energy: 0.9882406268783107 Energy: 1.111823664916002 Energy: 0.9882402745333685 Energy: 1.091688642962645 Energy: 1.1716474882066261 Energy: 0.9494804421307702 Energy: 1.171647490475564 Energy: 0.877443060276449 Energy: 1.1326183709825357 Energy: 1.2943260735203004 Energy: 1.13259494963662 Energy: 1.1171307718753878 Energy: 1.2085703184183272 Energy: 0.8947306753193004 Energy: 1.2172723762865074 Energy: 1.0214310580178276 Energy: 1.0813332115705527 Energy: 1.2377286795076576 Energy: 1.0813332116301693 Energy: 1.150943627563181 Energy: 0.9869130666199477 Energy: 0.9665314272100369 Energy: 0.9869130666760559 Energy: 1.0434469437568654 Energy: 1.235540552108164 Energy: 0.8901756034824562 Energy: 1.2355405521467566 Energy: 1.0134994084043984 Energy: 1.1777761193445595 Energy: 0.9061682568408937 Energy: 1.1777761195806868 Energy: 0.9657792709444699 Energy: 1.1893979074817291 Energy: 0.9850653162361878 Energy: 1.1893979074817291 Energy: 0.9738853393092756 Energy: 1.3396124430520027 Energy: 1.0673945684232986 Energy: 1.339612443016945 Energy: 1.1607083209130162 Energy: 1.2603105304672382 Energy: 0.8773943909618201 Energy: 1.2603105299271808 Energy: 0.8849821666830766 Energy: 1.041820625940474 Energy: 1.095982072860121 Energy: 1.041820625940474 minimum gb energy = 0.8773943909618201 eV minimum distance = 2.27281035101413 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.9635147845483686 Energy: 0.9654101985452033 Energy: 1.3765944249533744 Energy: 0.9654101979707038 Energy: 1.0209211021093838 Energy: 1.1744865111556069 Energy: 0.9614495411383412 Energy: 1.1744865095809958 Energy: 0.953629083088112 Energy: 1.501566804955888 Energy: 0.8707757679994419 Energy: 1.501566804954234 Energy: 0.8327589885800617 Energy: 0.99054855938042 Energy: 0.9224284212766486 Energy: 0.9905487223124467 Energy: 1.066996739754715 Energy: 1.000976086753135 Energy: 0.8994323158988335 Energy: 1.0009760881963374 Energy: 1.1016942480905212 Energy: 1.0289899847611594 Energy: 1.0771687495910194 Energy: 0.9588309387396923 Energy: 1.0607052181539138 Energy: 1.448898646229411 Energy: 0.8831257463477242 Energy: 1.4488986466211935 Energy: 1.114547983680916 Energy: 1.1494521654465164 Energy: 1.2093759673893403 Energy: 1.1494521650481182 Energy: 1.025543650464255 Energy: 1.2019501284852487 Energy: 0.9534275036936369 Energy: 1.201950128478633 Energy: 1.0679930409328273 Energy: 0.947034992920062 Energy: 1.0578282778189332 Energy: 0.9470350527674307 Energy: 0.8794253927772978 Energy: 1.2273990512614175 Energy: 0.8627209187777636 Energy: 1.227399046635088 Energy: 0.8767773727194819 Energy: 0.998652390661703 Energy: 0.8664319290210105 Energy: 0.9986523910857366 Energy: 0.9038683933287283 Energy: 1.1924720762394716 Energy: 0.8763709467745575 Energy: 1.1924720762402983 Energy: 0.8921699124974387 Energy: 1.1202555581477738 Energy: 0.8658551269785465 Energy: 1.1202559518703892 Energy: 1.0464021450982324 Energy: 1.085424908977967 Energy: 0.9403481717934139 Energy: 1.0854273274936135 Energy: 1.3637968459437066 Energy: 1.012051951087385 Energy: 1.0339893304842815 Energy: 1.0120498547790902 Energy: 1.0523567736014467 Energy: 0.9958039298992148 Energy: 1.0292418987207572 Energy: 0.99580244661887 Energy: 0.8909325574901327 Energy: 1.3554598565083402 Energy: 0.8614214609141401 Energy: 1.3554598565116478 Energy: 1.068774570787926 Energy: 1.2164358389075176 Energy: 0.8812816730333276 Energy: 1.2164358387694936 Energy: 1.059987030555893 Energy: 1.000372451079501 Energy: 0.8668015544676702 Energy: 1.0003724561794807 Energy: 0.8696321762628436 Energy: 1.61244978711644 Energy: 1.057037520334607 Energy: 1.612449787113132 Energy: 1.062320749037029 Energy: 1.2155016765095328 Energy: 1.0659728622452702 Energy: 1.215501676507052 Energy: 1.0358849824620824 Energy: 1.3666368445487953 Energy: 1.0090933643579043 Energy: 1.3666368445438333 Energy: 0.9813377773654745 Energy: 0.9886760188020812 Energy: 1.144375092141257 Energy: 0.9878653202512174 Energy: 0.8361432482649069 Energy: 1.0031342833223713 Energy: 0.899697734403931 Energy: 1.003134283297563 Energy: 0.9004189401298726 Energy: 1.160675385396547 Energy: 0.8760447800747624 Energy: 1.1606753873464395 Energy: 1.080422941426255 Energy: 0.9282359362549535 Energy: 0.9610431008805462 Energy: 0.9282359358491126 Energy: 0.8887571838246267 Energy: 0.986368968176609 Energy: 0.9816474680406518 Energy: 0.9863689678575597 Energy: 1.084892922685776 Energy: 1.101378832365361 Energy: 1.0736033244894285 Energy: 1.1030346968844054 Energy: 1.0690916904422088 Energy: 0.9077420460804692 Energy: 0.9429589769745671 Energy: 0.9077346739954952 Energy: 1.107489983864283 Energy: 0.9801468496123076 Energy: 1.1557667224117867 Energy: 0.9771858855049379 minimum gb energy = 0.8327589885800617 eV minimum distance = 2.24326778202814 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.0983610149425327 Energy: 1.2586083734169042 Energy: 1.2275066627977795 Energy: 1.2586083734186002 Energy: 0.9866531929092106 Energy: 1.2505153749040419 Energy: 1.1162856607026992 Energy: 1.250515377081905 Energy: 1.1086015508876665 Energy: 1.2799730195086043 Energy: 1.2526887472740478 Energy: 1.2799730151236246 Energy: 1.01198573607068 Energy: 1.4066821106993959 Energy: 0.9791166292462764 Energy: 1.4066821107216396 Energy: 1.085847651300285 Energy: 1.2125522522022134 Energy: 1.3067435199474773 Energy: 1.2125522522036218 Energy: 1.1153213944682079 Energy: 1.3353218288668969 Energy: 1.1174145926424517 Energy: 1.3353218288671531 Energy: 1.1137048559109362 Energy: 1.2053765182506824 Energy: 1.0316288056688803 Energy: 1.2053765182506824 Energy: 1.0638832227301065 Energy: 1.4123985211522294 Energy: 1.0354295215208835 Energy: 1.4123985211589827 Energy: 1.2958381802634686 Energy: 1.3130975467107877 Energy: 0.9962830298721896 Energy: 1.3130975465604586 minimum gb energy = 0.9791166292462764 eV minimum distance = 2.3274964104897 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.8662636437167465 Energy: 1.001121829959777 Energy: 1.3053466761631354 Energy: 1.0011198722132524 Energy: 1.087669886740865 Energy: 1.1774502465470085 Energy: 0.9793518740304997 Energy: 1.1774502465345102 Energy: 0.992079627429076 Energy: 0.9694687356593444 Energy: 1.0090049955249563 Energy: 0.9694687037027735 Energy: 1.0049420481969804 Energy: 1.2342235494587794 Energy: 0.8890691357971764 Energy: 1.2342235496094696 Energy: 0.9029306330429363 Energy: 1.1017636837267604 Energy: 0.9394867947983242 Energy: 1.1017636837064508 Energy: 1.0221069053071927 Energy: 0.8380241007790479 Energy: 0.9750284783333915 Energy: 0.8341224438536282 Energy: 0.9672236330098611 Energy: 0.8459335937994831 Energy: 0.9159532465237746 Energy: 0.8459335939884495 Energy: 1.0050950291471425 Energy: 1.1115485121379882 Energy: 0.9827761672708093 Energy: 1.111548455121662 Energy: 0.890115893444675 Energy: 1.073508281737732 Energy: 0.9664198745252457 Energy: 1.073508281359799 Energy: 0.9043649207473007 Energy: 0.8836676413516347 Energy: 1.0012302874036962 Energy: 0.8836670031609286 Energy: 1.0248507019055804 Energy: 1.2464531622810378 Energy: 0.9773824261462074 Energy: 1.246453166997815 Energy: 0.9645192418265408 Energy: 1.0070334839697186 Energy: 0.9341515320375631 Energy: 1.0070335022201469 Energy: 1.0122656254714908 Energy: 0.8558811081942627 Energy: 0.9246676502779254 Energy: 0.8558797538678986 Energy: 0.9304882411726503 Energy: 0.9992822927245454 Energy: 0.913017385148825 Energy: 0.9992823860083077 Energy: 1.083585658487246 Energy: 1.0870802515367004 Energy: 0.9774143570396298 Energy: 1.087079249876571 Energy: 0.854175177972864 Energy: 1.1241778509947236 Energy: 1.2255186649622216 Energy: 1.1241778509853497 Energy: 1.019407055018765 Energy: 1.0830551898990506 Energy: 0.9287066589076649 Energy: 1.0830550773639271 Energy: 0.9407134610319148 Energy: 0.9050572484691195 Energy: 0.9678936928295491 Energy: 0.9049547897866757 Energy: 0.8889005257564071 Energy: 1.0900079398483282 Energy: 0.9920119081258925 Energy: 1.0900079407805916 Energy: 1.019463286664338 Energy: 1.177543722149772 Energy: 0.8875467366484113 Energy: 1.1775437217663711 Energy: 1.041777182547997 Energy: 1.2968350783860103 Energy: 0.8852618795280153 Energy: 1.2968350787326264 Energy: 0.9147987618943172 Energy: 0.8166561570406253 Energy: 0.8712964304553635 Energy: 0.8166561589090574 Energy: 0.9400615398151263 Energy: 1.137481514951124 Energy: 1.0265074031853791 Energy: 1.1374810607316945 Energy: 0.9474932791187014 Energy: 1.2543963686694906 Energy: 1.0063239318380701 Energy: 1.2543963686585546 Energy: 1.0470919523454285 Energy: 1.0860388678506014 Energy: 0.9780512543285681 Energy: 1.0860388666754726 Energy: 0.8984670600899578 Energy: 1.3085167014962003 Energy: 0.9179130707531238 Energy: 1.3085167015781498 Energy: 0.9591095168752 Energy: 1.0849716715697364 Energy: 0.9326292344052789 Energy: 1.0849716392024948 Energy: 1.0710571924059824 Energy: 1.3776322562085916 Energy: 0.9029789687705112 Energy: 1.377632256210154 Energy: 0.9752380993507039 Energy: 1.2785153423094067 Energy: 1.0440345560879156 Energy: 1.2785153423367466 Energy: 1.1695232938344233 Energy: 0.8571065776435182 Energy: 0.9526135677239209 Energy: 0.8571099729738668 Energy: 0.9541930325434466 Energy: 0.8638204685959606 Energy: 1.02782265198014 Energy: 0.863820483035316 Energy: 0.9979657443867325 Energy: 0.855288227122662 Energy: 0.9942648609246376 Energy: 0.8678507027308753 Energy: 0.8734928304092346 Energy: 1.3226529266058893 Energy: 1.0347821232276224 Energy: 1.3226529266074514 minimum gb energy = 0.8166561570406253 eV minimum distance = 2.16878757225036 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.9072497082340134 Energy: 0.9786644340870109 Energy: 1.244858905137286 Energy: 0.9786644340870109 Energy: 0.7076674237376946 Energy: 1.5236373468488886 Energy: 0.8691194546143364 Energy: 1.5236373468499687 Energy: 0.9296739517115971 Energy: 0.8833007951473829 Energy: 1.4194611473288405 Energy: 0.8833010738034828 Energy: 0.8706170687971694 Energy: 1.1773121222406437 Energy: 0.903845760404539 Energy: 1.1773121222374037 Energy: 0.9289070427606961 Energy: 1.0323323357526435 Energy: 1.0612757508379522 Energy: 1.03233233643927 Energy: 0.9626938492884669 Energy: 1.3729237893019643 Energy: 0.9122623049037554 Energy: 1.3729237893030444 Energy: 0.9307857177165332 Energy: 0.8747947978920527 Energy: 0.8484666883968504 Energy: 0.8747947978834122 Energy: 0.9244029438612383 Energy: 1.179717305925682 Energy: 0.9406222583887389 Energy: 1.179717305927842 Energy: 0.8842586719483966 Energy: 1.0739097486582243 Energy: 0.8658641631737284 Energy: 1.0739097488168958 Energy: 0.8700663757658911 Energy: 1.1730159756502738 Energy: 1.0312346906516399 Energy: 1.1730159756157117 Energy: 0.9243832106408854 Energy: 1.1596868933818218 Energy: 0.9225822854791058 Energy: 1.1596869084172083 Energy: 0.9241157007905052 Energy: 0.8733960287650201 Energy: 0.8591678611145267 Energy: 0.8733960287628599 Energy: 0.9669242206481485 Energy: 1.1901596121055242 Energy: 0.9124239459138106 Energy: 1.1901596064074458 Energy: 0.9288415252226372 Energy: 0.8765724123079818 Energy: 0.8389162577491465 Energy: 0.8765724123328231 Energy: 0.8674642050176005 Energy: 1.2008756567548597 Energy: 0.9056416369200467 Energy: 1.200875656744108 Energy: 0.9282853612672133 Energy: 0.8659196563030523 Energy: 1.1686916278319905 Energy: 0.8536005772574998 Energy: 0.7440659304487889 Energy: 1.4433098055767626 Energy: 0.8495229807083772 Energy: 1.4433098055789229 Energy: 0.9072497082340134 Energy: 0.9786644340870109 Energy: 1.360888128473075 Energy: 0.978664434088091 Energy: 0.7076673916545639 Energy: 1.5236373468478086 Energy: 0.8691194546154165 Energy: 1.5236373468488886 Energy: 0.9296739517115971 Energy: 0.8833004921206994 Energy: 1.4194611428776966 Energy: 0.8833005520204099 Energy: 0.8706170685574931 Energy: 1.177312122193121 Energy: 0.9038457604034589 Energy: 1.1773121221779999 Energy: 0.9289070427606961 Energy: 1.032332335876802 Energy: 1.0612757508390323 Energy: 1.0323323357321712 Energy: 0.9626938492884669 Energy: 1.3729237893203254 Energy: 0.9122623049026752 Energy: 1.3729237893192454 Energy: 0.9307857177165332 Energy: 0.874794797778695 Energy: 0.8484666884044109 Energy: 0.8747947977797751 minimum gb energy = 0.7076673916545639 eV minimum distance = 2.28057724026998 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.8011652994731407 Energy: 0.7082907605148003 Energy: 1.4514374573300415 Energy: 0.708290738165293 Energy: 1.1954285553170998 Energy: 0.9653195913858467 Energy: 0.8459576342179046 Energy: 0.9653198404869975 Energy: 0.8702994267632791 Energy: 0.8268786820535894 Energy: 1.2273529245611001 Energy: 0.830584190789202 Energy: 0.9023032472316473 Energy: 1.1805457729370292 Energy: 0.8977547939197649 Energy: 1.1805457729363613 Energy: 0.9647152723307826 Energy: 0.9600395645226784 Energy: 1.1027233028687795 Energy: 0.9600395645126649 Energy: 0.9332365778766202 Energy: 1.1605028137452404 Energy: 0.8635220245072823 Energy: 1.1605028137372295 Energy: 0.8111776172184193 Energy: 1.1116183068805692 Energy: 0.8561708469000363 Energy: 1.111618306914615 Energy: 0.8777318253890048 Energy: 1.0532954278315707 Energy: 0.8620331444403365 Energy: 1.0532954323763608 Energy: 0.8919455581813192 Energy: 1.063562832925653 Energy: 0.8930673813334655 Energy: 1.0635624123488523 Energy: 0.8857012614737129 Energy: 1.0446781270223993 Energy: 0.8699213900240472 Energy: 1.044678095616629 Energy: 0.8700226423559058 Energy: 1.2740740725895596 Energy: 0.8726793334041426 Energy: 1.2740740725915622 Energy: 0.8483955697888405 Energy: 0.8709111973684017 Energy: 0.8835571110702626 Energy: 0.8709111901145069 Energy: 0.9337558363853308 Energy: 1.2182382943457741 Energy: 0.9007160692807784 Energy: 1.2182382943497798 Energy: 0.9360127281265908 Energy: 0.8273141679903151 Energy: 0.7723532112149349 Energy: 0.8273205706798196 Energy: 0.8687659033164999 Energy: 1.274099943374601 Energy: 0.7887471458690439 Energy: 1.27409994347067 Energy: 0.8460265561057302 Energy: 0.845008098172682 Energy: 1.1517049801946633 Energy: 0.845496296576877 Energy: 0.8305838948650232 Energy: 1.1552939743094854 Energy: 0.9074735313293634 Energy: 1.1552939742901263 Energy: 0.890984336630657 Energy: 0.8767476826059742 Energy: 0.9272977204390819 Energy: 0.8767476820628181 Energy: 0.825054390083911 Energy: 1.232580558367594 Energy: 0.8747157430007647 Energy: 1.232580558266852 Energy: 0.855518233460187 Energy: 0.9753919643958175 Energy: 1.148879894777617 Energy: 0.9753919643944824 Energy: 1.23510637046443 Energy: 1.050778486973966 Energy: 0.848762113832847 Energy: 1.050778486969293 Energy: 0.8488333321995843 Energy: 1.0193016512079331 Energy: 1.245209927545038 Energy: 1.0193015815383035 Energy: 1.09327233433272 Energy: 0.9606778090071405 Energy: 0.8388295199491022 Energy: 0.9606645580727661 Energy: 0.8149701377050492 Energy: 1.0777880347043385 Energy: 0.954039384166549 Energy: 1.0777880347870559 Energy: 0.9564821814046364 Energy: 0.7458036049163566 Energy: 0.8887409126591446 Energy: 0.7559343390840388 Energy: 0.8953017973825507 Energy: 0.7286969199071454 Energy: 0.8824362856521468 Energy: 0.7357081731742063 Energy: 1.0346257360154885 Energy: 1.1627576544819742 Energy: 0.8537737949182542 Energy: 1.1627576544893172 Energy: 0.7992788952922377 Energy: 1.3680760195207775 Energy: 0.9178271458391042 Energy: 1.3680760195194424 Energy: 0.8071398102833758 Energy: 0.8487896958299164 Energy: 0.9130704122439359 Energy: 0.8487896968048056 Energy: 0.8515711589561431 Energy: 1.1935166278419655 Energy: 0.9071088361142624 Energy: 1.1935166278379605 Energy: 0.87969050000091 Energy: 0.8405241872317225 Energy: 0.8405630553784476 Energy: 0.8405241873090995 Energy: 0.9097057287626911 Energy: 1.2679507153933276 Energy: 0.8577120214986026 Energy: 1.26795071533264 Energy: 0.8522742512715858 Energy: 1.0659182030975571 Energy: 0.9918969491064419 Energy: 1.0659182030128371 Energy: 0.9271100682879876 Energy: 0.9904930291298301 Energy: 0.8143652160656466 Energy: 0.9904930312744167 Energy: 0.9067320671661445 Energy: 0.7922564077147622 Energy: 0.822658210473065 Energy: 0.7922564146383335 Energy: 0.8644891418419056 Energy: 1.02215851421823 Energy: 0.7849074752880972 Energy: 1.0221585104561912 Energy: 0.8395785106507512 Energy: 1.1895186560356974 Energy: 0.9444060927953777 Energy: 1.1895186552456634 Energy: 1.1587185416031376 Energy: 1.0239000044074702 Energy: 0.8814258591040551 Energy: 1.0239000046663644 minimum gb energy = 0.708290738165293 eV minimum distance = 2.25747677779896 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.8252548172559729 Energy: 0.8958473885348652 Energy: 1.6923431307326886 Energy: 0.8958473885331185 Energy: 0.7489587783340892 Energy: 0.6555665207999268 Energy: 0.8154694515634763 Energy: 0.6555665208191405 Energy: 0.7958734468215147 Energy: 0.7459357167923688 Energy: 1.7000094178558722 Energy: 0.7459357167923688 Energy: 0.8300315735557683 Energy: 0.8378362618472784 Energy: 0.7875430575961113 Energy: 0.8378362618472784 Energy: 0.7986395140783957 Energy: 0.8840771476394792 Energy: 1.5977994812046326 Energy: 0.8840771476953337 Energy: 0.7491920865058768 Energy: 0.8452204800788192 Energy: 0.8183481009663669 Energy: 0.8452204799985107 Energy: 0.822513890899962 Energy: 0.7357575728706451 Energy: 0.7408594022611537 Energy: 0.7357575728706451 Energy: 0.9132347034437331 Energy: 0.663117787824517 Energy: 0.774761271506829 Energy: 0.6594575354056295 Energy: 0.7957375993974265 Energy: 0.8885883303101914 Energy: 0.8152872253159191 Energy: 0.8885883302770041 Energy: 0.714969047870614 Energy: 1.0652982309413284 Energy: 0.8361016787776202 Energy: 1.0671162428887595 Energy: 0.7987997299988046 Energy: 0.744695726408636 Energy: 0.7840066086990811 Energy: 0.7446957243065255 Energy: 0.7576916943154636 Energy: 0.7409104798611573 Energy: 0.8031687387287557 Energy: 0.7409104798576639 Energy: 0.7919124203884933 Energy: 0.8089976704520002 Energy: 0.8075741224455051 Energy: 0.8090250760559574 Energy: 0.7958130337033064 Energy: 0.9029168208978279 Energy: 0.7662696942335117 Energy: 0.9029168208943346 Energy: 0.8616671754524371 Energy: 0.8561184875792194 Energy: 0.7925493358445396 Energy: 0.8561184875827128 minimum gb energy = 0.6555665207999268 eV minimum distance = 2.31020168700259 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.5370336580942764 Energy: 1.0506865280392739 Energy: 1.2686018494226516 Energy: 1.0506865280378097 Energy: 1.111993015987756 Energy: 0.9534085865662184 Energy: 0.697938044583854 Energy: 0.9534088263171332 Energy: 0.6424854577139892 Energy: 1.1092398555351883 Energy: 1.3953069374098455 Energy: 1.1092398555359204 Energy: 0.8305116363688502 Energy: 0.9719011217412408 Energy: 0.7001127010870156 Energy: 0.971901121750026 Energy: 0.6371977995372827 Energy: 1.0850770619141794 Energy: 1.0330031116534026 Energy: 1.0850709808685246 Energy: 0.9350077982210737 Energy: 0.7415430975244429 Energy: 0.6105140575122904 Energy: 0.7415429995770978 Energy: 0.6415323619214837 Energy: 1.187313544740649 Energy: 0.9738839198934883 Energy: 1.1873135448870036 Energy: 0.7413458412765882 Energy: 0.9804602738814462 Energy: 0.6365998546418858 Energy: 0.9804596545664414 Energy: 0.6411827949330527 Energy: 1.0352594665881578 Energy: 0.834419472372498 Energy: 1.0352594665932824 Energy: 0.9498556570089157 Energy: 1.1420790112077566 Energy: 0.7050047307952934 Energy: 1.1420790112092207 Energy: 0.6372240931910144 Energy: 0.7770412168057055 Energy: 0.7050439236760772 Energy: 0.7770412167625111 Energy: 0.9701919868384862 Energy: 1.0452702751343081 Energy: 0.6790936597408094 Energy: 1.0452703136720551 Energy: 0.5420134278293863 Energy: 0.9644307611174003 Energy: 0.7200904468202579 Energy: 0.9644307641425919 Energy: 1.01601700225458 Energy: 0.7803707281313921 Energy: 0.7026496510391025 Energy: 0.7803707286041324 Energy: 0.6317809706122781 Energy: 1.0501777279213598 Energy: 0.7068849144301945 Energy: 1.0501777251940019 Energy: 0.6974350026970983 Energy: 0.7798769624930527 Energy: 0.6811177245114973 Energy: 0.7798769625040343 Energy: 0.6929100567338293 Energy: 1.174949780989184 Energy: 0.6856684545446026 Energy: 1.1749497809899163 Energy: 0.6994869577967856 Energy: 1.0265133230618317 Energy: 0.6210954347799982 Energy: 1.026513323023762 Energy: 0.6820759864254485 Energy: 1.1269682169694408 Energy: 0.6199683684776057 Energy: 1.1269682753545578 Energy: 0.7095773887611576 Energy: 1.1622280680831127 Energy: 0.6355174863806671 Energy: 1.1622280680897017 Energy: 0.6774835533769585 Energy: 1.033576429175296 Energy: 0.6171584448767824 Energy: 1.0335764291782246 Energy: 0.6939753174505547 Energy: 0.848367594267901 Energy: 0.6829928049280897 Energy: 0.8483675932470802 Energy: 0.6970176404978408 Energy: 0.7630252526080123 Energy: 0.6729065219940329 Energy: 0.7630252524960668 Energy: 0.6420274013723423 Energy: 1.0402485624490736 Energy: 0.7119886959420284 Energy: 1.0402485624395563 Energy: 1.0152847763688262 Energy: 0.7507408742673182 Energy: 0.6861817649465626 Energy: 0.7507408745556344 Energy: 0.5666127691714234 Energy: 1.013567982019225 Energy: 0.7576816870022514 Energy: 1.0135679820463128 Energy: 0.9717280347436611 Energy: 1.1040621131143573 Energy: 0.6835095163665609 Energy: 1.1040621131114288 Energy: 0.640432056299182 Energy: 0.7658062858664441 Energy: 0.7415447217341175 Energy: 0.7658062855847166 Energy: 0.9554988256142952 Energy: 0.8068297885821508 Energy: 0.7044598834372382 Energy: 0.8068297884555633 Energy: 0.6398119299596633 Energy: 1.0271875106982389 Energy: 1.057726866921497 Energy: 1.0271875106272248 Energy: 0.7693101634762461 Energy: 0.9305674166704789 Energy: 0.6207351010659197 Energy: 0.9305674182372504 Energy: 0.6470297273539194 Energy: 1.0529219341987177 Energy: 1.1841035499261774 Energy: 1.0529219355949753 Energy: 0.712808972219064 Energy: 0.7878257821800062 Energy: 0.6245875514168205 Energy: 0.7878257822092903 Energy: 0.6365130496447989 Energy: 1.1084636651700663 Energy: 1.078333143274866 Energy: 1.1084636651678699 Energy: 0.9826886376072431 Energy: 0.9268062791799723 Energy: 0.6982771149268702 Energy: 0.9268062792231664 minimum gb energy = 0.5370336580942764 eV minimum distance = 2.16205696382967 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.45727966591398533 Energy: 0.4594027795878038 Energy: 1.4916258727435754 Energy: 0.4594027795890634 Energy: 1.0916417891432717 Energy: 0.7951329802182626 Energy: 0.6024475915905433 Energy: 0.7951329808414879 Energy: 0.5362813799096872 Energy: 0.8289337510838687 Energy: 1.5317360485838574 Energy: 0.8289300936174101 Energy: 0.5816078986417147 Energy: 0.8136063050386952 Energy: 0.6014252217074809 Energy: 0.8136063050399548 Energy: 0.5901879137911181 Energy: 0.7976703969687593 Energy: 0.5703597009984249 Energy: 0.7976700192882828 Energy: 0.6605926266034988 Energy: 0.7635562003734193 Energy: 0.6190391983155012 Energy: 0.7635562003759383 Energy: 0.4700337691241765 Energy: 1.1343350216263062 Energy: 0.8106494500014471 Energy: 1.1343350216162584 Energy: 0.5953017202143087 Energy: 0.4436291615723271 Energy: 0.45632787091442434 Energy: 0.44362916157358667 Energy: 0.5969470862596516 Energy: 0.8146614394052094 Energy: 0.8727580508498785 Energy: 0.8146614394152859 Energy: 1.119879326887142 Energy: 1.0787669852865795 Energy: 0.618902730211829 Energy: 1.0787669908287063 Energy: 0.49518871865752356 Energy: 1.0797566963794971 Energy: 0.5642460689444706 Energy: 1.0797566963694205 Energy: 0.9102732796180332 Energy: 0.8412002063041084 Energy: 0.6023430531928299 Energy: 0.8412002061996221 Energy: 0.6253398705573681 Energy: 0.7736218603789482 Energy: 0.646264793859665 Energy: 0.7736218604104085 Energy: 0.8055617903339682 Energy: 1.1218905334134563 Energy: 0.618642895780409 Energy: 1.121890533324056 Energy: 0.463721840414482 Energy: 0.4851640038074759 Energy: 0.5858565139058216 Energy: 0.4851640036035128 Energy: 0.46372867397797857 Energy: 0.796967841019562 Energy: 0.6024067900345504 Energy: 0.79696784096792 Energy: 0.6039489573082031 Energy: 0.8909130404785207 Energy: 0.7151240466547889 Energy: 0.8909130404760016 Energy: 0.5337490192144261 Energy: 1.0560223275916003 Energy: 0.6083154364403645 Energy: 1.0560223275916003 Energy: 0.5919455250969273 Energy: 0.47269995319666824 Energy: 0.5902481387398012 Energy: 0.47269999172842225 Energy: 0.5854098385890436 Energy: 0.7892587630126543 Energy: 0.596585245582011 Energy: 0.7892587629333304 minimum gb energy = 0.4436291615723271 eV minimum distance = 2.23620433901301 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.20260488774910554 Energy: 0.9784130027910131 Energy: 1.387714295056183 Energy: 0.9784130027870788 Energy: 1.1543896030352672 Energy: 0.7870650049811938 Energy: 0.36410669326025064 Energy: 0.7870650059102482 Energy: 0.3127638656999127 Energy: 0.29198830693771716 Energy: 1.403408873211614 Energy: 0.29198830761212097 Energy: 0.6646668821722312 Energy: 0.5436360990849699 Energy: 0.32089926198839297 Energy: 0.5436362310574104 Energy: 0.3078470835023514 Energy: 0.8664181116620977 Energy: 0.4771210860388958 Energy: 0.8664181115058023 Energy: 0.47065198473760594 Energy: 0.8234776637953798 Energy: 0.30956204666452347 Energy: 0.8234776637924293 Energy: 0.32812201594042756 Energy: 0.5520591440733469 Energy: 0.7526402671748207 Energy: 0.5520591510485195 Energy: 0.5873086941918902 Energy: 0.5416072538728655 Energy: 0.3291613612699672 Energy: 0.5416072538728655 Energy: 0.3255220960509704 Energy: 0.2527357896356562 Energy: 0.9313445335749723 Energy: 0.24470359650534237 Energy: 0.49092092068470283 Energy: 0.9393357141150233 Energy: 0.2242654748310313 Energy: 0.939335714097364 Energy: 0.33048541554540023 Energy: 0.6109454141351263 Energy: 0.8588656689678426 Energy: 0.6109454139512914 Energy: 0.9098898792611393 Energy: 0.81502989397487 Energy: 0.31357755696940903 Energy: 0.8150298949098258 Energy: 0.312664308631773 Energy: 0.33482158579898114 Energy: 0.7388512910310953 Energy: 0.3348217388395996 Energy: 0.7996464162257062 Energy: 0.975252459537635 Energy: 0.3265395591400844 Energy: 0.9752524595366513 Energy: 0.32394858037483304 Energy: 0.6233077004823222 Energy: 0.48971032295415046 Energy: 0.6233077079490922 Energy: 0.7342591201776938 Energy: 0.8224126976568116 Energy: 0.33637447197048176 Energy: 0.8224126976597623 Energy: 0.3195687540349514 Energy: 0.2572962804023469 Energy: 0.5403405885014143 Energy: 0.25729626201908745 Energy: 0.5212968981614751 Energy: 0.874866365495976 Energy: 0.2997239467488673 Energy: 0.8748663654910582 Energy: 0.22824856101564253 Energy: 0.9567816647323065 Energy: 0.4926070080221752 Energy: 0.956781664731323 Energy: 0.8675972449856384 Energy: 0.8337763384619432 Energy: 0.33257511168523524 Energy: 0.8337763388384649 Energy: 0.3074494088171335 Energy: 0.821695461807836 Energy: 0.5462835588364037 Energy: 0.8216954617960779 Energy: 0.34938889758022573 Energy: 0.5345983460772242 Energy: 0.30790057681180344 Energy: 0.5345984613071938 Energy: 0.3300674597147696 Energy: 0.6489183287793341 Energy: 0.7793306681999483 Energy: 0.6489182919803134 Energy: 0.48372306331901854 Energy: 0.7527890444384843 Energy: 0.31981817970133003 Energy: 0.7527890440147521 Energy: 0.34663315655564464 Energy: 0.8492730508223725 Energy: 0.7450222334825224 Energy: 0.8492730510012895 Energy: 0.48340295187113497 Energy: 0.5006932267563178 Energy: 0.32550805988185655 Energy: 0.5006932292190428 minimum gb energy = 0.20260488774910554 eV minimum distance = 2.24187773066863 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.7786491968921314 Energy: 0.702354440685057 Energy: 1.2018783524825807 Energy: 0.7023544406963459 Energy: 1.159302588418032 Energy: 0.783744589043807 Energy: 0.31059199080445826 Energy: 0.7837445890615465 Energy: 0.0851822084086678 Energy: 0.8023594145349416 Energy: 1.1274870427668726 Energy: 0.8023594145357481 Energy: 0.7526182194215189 Energy: 0.7821896180527181 Energy: 0.3126467275186498 Energy: 0.7821896180543308 Energy: 0.29790283819734303 Energy: 0.554033141038813 Energy: 0.3940742448756862 Energy: 0.5540323195976811 Energy: 0.603343169742457 Energy: 0.7590637920559814 Energy: 0.3121078649148124 Energy: 0.7590637920334402 Energy: 0.3098096074546148 Energy: 0.7248462099940759 Energy: 0.35745837685578363 Energy: 0.724846205586925 Energy: 0.4213247771309151 Energy: 0.06636510561434934 Energy: 0.3144210817533384 Energy: 0.06635015992020869 Energy: 0.3061528110958347 Energy: 0.696768073598918 Energy: 0.8344905301425076 Energy: 0.6967680735239641 Energy: 0.6977076030822185 Energy: 0.8238480464217479 Energy: 0.14136913552635072 Energy: 0.8238480464201352 Energy: 0.3156841686864666 Energy: 0.7739303657513038 Energy: 0.8958780775487555 Energy: 0.7739303655224099 Energy: 0.3834929301065197 Energy: 0.7180509224986604 Energy: 0.7634364425043221 Energy: 0.7180509226018368 Energy: 0.3174709672242162 Energy: 0.7724137336194712 Energy: 0.9574099190536663 Energy: 0.7724137349042456 Energy: 0.7588869208710808 Energy: 0.7735330948194956 Energy: 0.12878867091915575 Energy: 0.7735330948130449 Energy: 0.29993622841618367 Energy: 0.5696217313851377 Energy: 0.7861924950712467 Energy: 0.5696217313577219 Energy: 0.66582993593658 Energy: 0.7022214772062804 Energy: 0.3149332913515128 Energy: 0.7022214913909557 Energy: 0.31673597697734357 Energy: 0.7528843798851909 Energy: 0.5957065683481935 Energy: 0.7528843798997052 Energy: 0.6438361870523069 Energy: 0.7762009401510978 Energy: 0.3164873337309448 Energy: 0.77620126514054 Energy: 0.3150836417126123 Energy: 0.08874599950642625 Energy: 0.4212677709953768 Energy: 0.08874941292826723 Energy: 0.5137355857494189 Energy: 0.7385216159835826 Energy: 0.3177944170760063 Energy: 0.7385216159795508 Energy: 0.08859853715049024 Energy: 0.7762451459407679 Energy: 0.44513811741619075 Energy: 0.7762451468467036 Energy: 0.8967005030638098 Energy: 0.7118959356659013 Energy: 0.30924514779246065 Energy: 0.7118959388431093 Energy: 0.7488361486022804 Energy: 0.711568533711294 Energy: 0.39693934953613796 Energy: 0.7115685337322593 Energy: 0.6261155542231589 Energy: 0.7697261720440923 Energy: 0.3271316511078205 Energy: 0.7697261707093608 Energy: 0.12376788884339257 Energy: 0.7450541611129428 Energy: 0.49261360234799156 Energy: 0.7450541636703597 Energy: 0.8150943958794064 Energy: 0.7550843978765859 Energy: 0.31700854279352986 Energy: 0.7550844524971487 Energy: 0.31126092269587363 Energy: 0.6864354422702057 Energy: 0.6661999141723726 Energy: 0.6864354421211039 Energy: 0.3332888695560346 Energy: 0.7479810742251516 Energy: 0.3203364253304736 Energy: 0.747981074396831 Energy: 0.31189007522111306 Energy: 0.8135797397051155 Energy: 0.6455636249218868 Energy: 0.813579739572104 Energy: 0.4058828485552356 Energy: 0.6778015151511564 Energy: 0.3120339373057587 Energy: 0.677801514886783 Energy: 0.3300640245823858 Energy: 0.6886228202245996 Energy: 0.49641777146796917 Energy: 0.6886228202366582 Energy: 0.40150504190478586 Energy: 0.7449452343366638 Energy: 0.13830342483140987 Energy: 0.7449451974681119 minimum gb energy = 0.06635015992020869 eV minimum distance = 2.22443786389934 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.5695876258288471 Energy: 0.7187413570906455 Energy: 0.5158079183480866 Energy: 0.718741357049722 Energy: 1.075874677077744 Energy: 0.7371481260550741 Energy: 0.15192301935069547 Energy: 0.7371481260550741 Energy: 0.04445232068393605 Energy: 0.5815449995596189 Energy: 1.1162385346843906 Energy: 0.5815449992974354 Energy: 0.7743507911172396 Energy: 0.6794164953136401 Energy: 0.1564512673918365 Energy: 0.6794164953150065 Energy: 0.15854108606548173 Energy: 0.7614170761617703 Energy: 0.7765968027925351 Energy: 0.7614170761590379 Energy: 0.6514993447943549 Energy: 0.6550980105579751 Energy: 0.14508039065501596 Energy: 0.6550980095399181 Energy: 0.15665679161717222 Energy: 0.5061617656355879 Energy: 0.2688985235042881 Energy: 0.5061617783866988 Energy: 0.5124176641314755 Energy: 0.5733192564358144 Energy: 0.159691912064927 Energy: 0.5733192560247786 Energy: 0.12505187715834756 Energy: 0.6974019447697972 Energy: 0.4704431255034045 Energy: 0.69740194440043 Energy: 0.3274940133955248 Energy: 0.6656586269598156 Energy: 0.15788884312745047 Energy: 0.6656586269229905 Energy: 0.1529364925632382 Energy: 0.674238864311183 Energy: 0.840218976517809 Energy: 0.6742388642839213 Energy: 0.5768271095180717 Energy: 0.5559321380996527 Energy: 0.05722601451891174 Energy: 0.555932142855284 Energy: 0.1694283764709883 Energy: 0.7083773896015388 Energy: 0.9361226996950781 Energy: 0.7083773894806935 Energy: 0.3538473117580499 Energy: 0.7630857588923676 Energy: 0.5323332248479556 Energy: 0.7630857590248254 Energy: 0.1513169430299616 Energy: 0.6709443170828598 Energy: 0.899219879702534 Energy: 0.6709443171354578 Energy: 0.6440052303736502 Energy: 0.5819284679686011 Energy: 0.07698629861691901 Energy: 0.5819284694209188 Energy: 0.1821087703988226 Energy: 0.7117148470433802 Energy: 0.7977462495025717 Energy: 0.7117148470426969 Energy: 0.5634737066664381 Energy: 0.7499505159808285 Energy: 0.1563667412139772 Energy: 0.7499505159815115 Energy: 0.18905970372585681 Energy: 0.6732612182617872 Energy: 0.6510694125361136 Energy: 0.6732612182597381 Energy: 0.5397883084058991 Energy: 0.615123235688746 Energy: 0.1549343605010866 Energy: 0.6151232372441489 Energy: 0.16144725085470518 Energy: 0.6259124692267163 Energy: 0.511444622079942 Energy: 0.6259124692246669 Energy: 0.4543364243135977 Energy: 0.6238767748771183 Energy: 0.15701628226499806 Energy: 0.6238767755564855 Energy: 0.14892737935361022 Energy: 0.6623388497052975 Energy: 0.33482249352756516 Energy: 0.6623388497052975 Energy: 0.8549234326508566 Energy: 0.6196119369762233 Energy: 0.15615849028293713 Energy: 0.6196119369788936 Energy: 0.04353316485873181 Energy: 0.6783604246361232 Energy: 0.381465150187057 Energy: 0.6783604246060672 Energy: 0.6843916027127249 Energy: 0.7162492374124276 Energy: 0.177895419991873 Energy: 0.7162492374131108 Energy: 0.4976806546053959 Energy: 0.7276875517490624 Energy: 0.3463046881956614 Energy: 0.7276875517149077 Energy: 0.8869565438632065 Energy: 0.6714372284619834 Energy: 0.15039207644091526 Energy: 0.6714372284770115 Energy: 0.027054180872763702 Energy: 0.6481910588447887 Energy: 0.3726874616499059 Energy: 0.6481910588475209 Energy: 0.5843545348866093 Energy: 0.7252394209118164 Energy: 0.16504010103243322 Energy: 0.7252394209138656 Energy: 0.1576872228746482 Energy: 0.7378945301322335 Energy: 0.5555874254460452 Energy: 0.7378945301295011 Energy: 0.645617857907717 Energy: 0.6654670896063967 Energy: 0.19230418160298318 Energy: 0.6654673119233623 Energy: 0.13615281682851393 Energy: 0.6016436425513862 Energy: 0.5433628902406198 Energy: 0.6016436425548017 Energy: 0.2653301813995194 Energy: 0.6460496305296117 Energy: 0.16754252313383272 Energy: 0.6460496305289285 Energy: 0.23135343143038054 Energy: 0.7096872615557253 Energy: 0.4533787043066386 Energy: 0.7096872615509435 Energy: 0.3494257427412268 Energy: 0.6693590901664167 Energy: 0.16182410285296467 Energy: 0.669359090346691 Energy: 0.15631802108125836 Energy: 0.6095008882627669 Energy: 0.822105426488699 Energy: 0.609500888284626 minimum gb energy = 0.027054180872763702 eV minimum distance = 2.26383208198488 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.44855404126731846 Energy: 0.5799125709921443 Energy: 0.6089959968219569 Energy: 0.5799122831423938 Energy: 1.0184789664140423 Energy: 0.5100477111317299 Energy: 0.11502803727651541 Energy: 0.5100477098028695 Energy: 0.4627112326512216 Energy: 0.467441106496079 Energy: 0.5318204956897329 Energy: 0.46744110681702417 Energy: 0.7084324667391633 Energy: 0.5289117751390819 Energy: 0.09913535217995129 Energy: 0.528911777637515 Energy: 0.09742297176169627 Energy: 0.4870738500789284 Energy: 0.24057769230834927 Energy: 0.4870738501493759 Energy: 0.5810727939453438 Energy: 0.5477479861872677 Energy: 0.09097730841989668 Energy: 0.547747986258927 Energy: 0.10845469502570183 Energy: 0.44286405232390835 Energy: 0.18788923353305706 Energy: 0.4428640893159171 Energy: 0.4747784798283151 Energy: 0.5380387557419188 Energy: 0.118240799537922 Energy: 0.5380387549318274 Energy: 0.09055390782558798 Energy: 0.46314955097630983 Energy: 0.3126402441159374 Energy: 0.46314955095145394 Energy: 0.39882474180215094 Energy: 0.5211990053416912 Energy: 0.09870162336007003 Energy: 0.5211990053162159 Energy: 0.10393351870809445 Energy: 0.5629387492656964 Energy: 0.6418739668721777 Energy: 0.5629387491869278 Energy: 0.23534757115352556 Energy: 0.5383047124514296 Energy: 0.10214317066911363 Energy: 0.5383047123673559 Energy: 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Energy: 0.48655194077396596 Energy: 0.09359352124344353 Energy: 0.48655194086458353 Energy: 0.08368559676541867 Energy: 0.533567450967975 Energy: 0.5587134191843816 Energy: 0.5335674678321897 Energy: 0.3260332266753038 Energy: 0.5328701996951759 Energy: 0.10518807065519824 Energy: 0.5328702179753139 Energy: 0.09857288961180612 Energy: 0.08917184049359533 Energy: 0.3990415544326399 Energy: 0.0891380158225542 Energy: 0.6367359417878927 Energy: 0.4944850784807846 Energy: 0.10463975812498988 Energy: 0.4944850783712356 Energy: 0.09330626520059662 Energy: 0.536972724990039 Energy: 0.2158053449358013 Energy: 0.5369727376059452 Energy: 0.589141182840192 Energy: 0.5721058085832489 Energy: 0.0903531465244636 Energy: 0.5721058085003332 Energy: 0.40969674459547967 Energy: 0.27443135313959516 Energy: 0.2757101465926431 Energy: 0.2744302736927841 Energy: 0.8281615910862762 Energy: 0.5066513024268682 Energy: 0.1062587231603759 Energy: 0.5066513024286455 Energy: 0.41774380142923356 Energy: 0.5825358174456785 Energy: 0.18826820327695318 Energy: 0.5825358176274792 Energy: 0.6486150461737831 Energy: 0.5817744266541798 Energy: 0.11682115306926823 Energy: 0.5817744208768174 Energy: 0.4509923748594245 Energy: 0.294994523530281 Energy: 0.32247799938774013 Energy: 0.29499452110054486 Energy: 0.6835503846533824 Energy: 0.5250128861211231 Energy: 0.07646673626367914 Energy: 0.5250128805581461 Energy: 0.10131978359748176 Energy: 0.5779084853414111 Energy: 0.3927413299801905 Energy: 0.5779084808757281 Energy: 0.4422446392769303 Energy: 0.549971326109056 Energy: 0.10796195811191042 Energy: 0.549971318122833 Energy: 0.0724155629559307 Energy: 0.5078514730189424 Energy: 0.4029596869151783 Energy: 0.5078514729964294 Energy: 0.49861791256986326 Energy: 0.527478990889449 Energy: 0.12477841208245442 Energy: 0.5274793593959296 Energy: 0.10068503417942347 Energy: 0.6036232393925831 Energy: 0.33414720820520327 Energy: 0.6036232393937679 Energy: 0.1810062398690418 Energy: 0.53982817408181 Energy: 0.10353172583690246 Energy: 0.5398281740415505 Energy: 0.10298367691477386 Energy: 0.5085666666251898 Energy: 0.6559097434809352 Energy: 0.50856666659379 Energy: 0.2289469358757615 Energy: 0.5796535310153481 Energy: 0.09295197468159526 Energy: 0.5796535310301594 Energy: 0.09933026385580435 Energy: 0.5866652588516583 Energy: 0.5951885234056034 Energy: 0.5866652588516583 minimum gb energy = 0.0724155629559307 eV minimum distance = 2.24216919651213 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.019077717989366205 Energy: 0.05628899899100518 Energy: 0.09723348139568888 Energy: 0.056288998990549746 Energy: 0.09176331102857531 Energy: -0.7587015493625071 Energy: -0.6797938834537549 Energy: -0.7587014728554015 Energy: 0.01907771798891076 Energy: 0.05628899899100518 Energy: 0.09723348019428056 Energy: 0.05628899899100518 Energy: 0.09176331102857531 Energy: -0.7587014942485262 Energy: -0.6797938838748373 Energy: -0.7587011287052267 Energy: 0.019077717989366205 Energy: 0.05628899899146062 Energy: 0.0972334734488644 Energy: 0.05628899899146062 Energy: 0.09176331102857531 Energy: -0.7587013751902306 Energy: -0.6797938838365295 Energy: -0.7587014832606573 minimum gb energy = -0.7587015493625071 eV minimum distance = 2.46111861116167 Angstroms sigma value = 1