model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.051526293158533 cohesive_energy=3.3624417440272794 mass=26.981538 Isolated atom energy: -9.23201098901316e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.01032552416937377 Energy: 0.01032552417425621 Energy: 0.01032552417134339 Energy: 0.010325524172314329 Energy: 0.010325524165961612 Energy: 0.01032552417134339 Energy: 0.01032552416693255 Energy: 0.010325524173285269 Energy: 0.01032552417181499 Energy: 0.01032552417281367 Energy: 0.01032552416987311 Energy: 0.010325524173285269 Energy: 0.010325524173285269 Energy: 0.01032552417181499 Energy: 0.01032552417181499 Energy: 0.01032552417134339 Energy: 0.01032552417181499 Energy: 0.01032552417281367 Energy: 0.01032552417425621 Energy: 0.010325524168402829 Energy: 0.01032552417037245 Energy: 0.01032552417181499 Energy: 0.01032552416937377 Energy: 0.010325524173784609 Energy: 0.01032552417037245 Energy: 0.01032552417425621 Energy: 0.010325524172314329 Energy: 0.01032552416937377 Energy: 0.01032552417037245 Energy: 0.010325524173784609 minimum gb energy = 0.010325524165961612 eV minimum distance = 2.86476152942602 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.6781055241598531 Energy: 0.6506272010491405 Energy: 0.6506279290811956 Energy: 0.6064621995112602 Energy: 0.650627534601802 Energy: 0.6506277988938272 Energy: 0.6079732384584523 Energy: 0.6474895686982032 Energy: 0.6474889291076137 Energy: 0.6157211134216815 Energy: 0.6025855910637413 Energy: 0.6025854129014625 Energy: 0.6164123759196062 Energy: 0.6506280159919963 Energy: 0.6506236467063851 Energy: 0.5642155596386386 Energy: 0.6625018897527534 Energy: 0.6625018896258253 Energy: 0.6071157229134363 Energy: 0.6506266316284984 Energy: 0.6506244202289694 Energy: 0.6149326480662284 Energy: 0.6057568901844554 Energy: 0.605756881061023 Energy: 0.6164498902172129 Energy: 0.6847891360404814 Energy: 0.6847891360297639 Energy: 0.6149332215571284 Energy: 0.6525947136301772 Energy: 0.6525916407227598 minimum gb energy = 0.5642155596386386 eV minimum distance = 2.63717002547233 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.7080172711814303 Energy: 0.6797237819665511 Energy: 0.6797253043012335 Energy: 0.5804995227463122 Energy: 0.6786892652254035 Energy: 0.6786878013107334 Energy: 0.6243592923316515 Energy: 0.6764839828891901 Energy: 0.6764847144569385 Energy: 0.6213388607004103 Energy: 0.6750234256387286 Energy: 0.6750199563538181 Energy: 0.5867060018845128 Energy: 0.6803633614886149 Energy: 0.6803558582400353 Energy: 0.6440580870167009 Energy: 0.6750041098189209 Energy: 0.6750093358507747 Energy: 0.5908164649701474 Energy: 0.676481522139193 Energy: 0.676482330986435 Energy: 0.6104002600970132 Energy: 0.6750239813129569 Energy: 0.6750074552276869 Energy: 0.6250384294919311 Energy: 0.6764854134144815 Energy: 0.6764842026001227 Energy: 0.5990738032168773 Energy: 0.6945142597097401 Energy: 0.6945078485715065 minimum gb energy = 0.5804995227463122 eV minimum distance = 2.63820848323805 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.7319332166215375 Energy: 0.6936898615106655 Energy: 0.693689896576172 Energy: 0.6260520535529216 Energy: 0.6953159657784598 Energy: 0.695313261749915 Energy: 0.6546994132733085 Energy: 0.6458139342639171 Energy: 0.6458143014366414 Energy: 0.643975771926496 Energy: 0.6988952164806582 Energy: 0.6988951826297494 Energy: 0.6578537014434301 Energy: 0.6471416147931234 Energy: 0.6471419660532216 Energy: 0.6068766900546704 Energy: 0.7100669488044355 Energy: 0.7100663237478405 Energy: 0.644870846050254 Energy: 0.6471418567217812 Energy: 0.647141492774775 Energy: 0.654158772604447 Energy: 0.7703431332309428 Energy: 0.7703430226410922 Energy: 0.664717220889341 Energy: 0.6471419892972451 Energy: 0.6471422045963323 Energy: 0.629434587710285 Energy: 0.7100657955218196 Energy: 0.7100667089771108 minimum gb energy = 0.6068766900546704 eV minimum distance = 2.63786301906325 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.7452354816512614 Energy: 0.7218780871122309 Energy: 0.7218726695816228 Energy: 0.6689930708469708 Energy: 0.7598306979679608 Energy: 0.759830697963906 Energy: 0.666008642892608 Energy: 0.7127262026025584 Energy: 0.7127262484584749 Energy: 0.6714000210089343 Energy: 0.7076732050230107 Energy: 0.707678139784409 Energy: 0.6795804582211479 Energy: 0.7572123635998367 Energy: 0.7572119634733979 Energy: 0.6816743255291038 Energy: 0.6773258484463048 Energy: 0.6773260645565654 Energy: 0.6795802403130577 Energy: 0.7752661279187842 Energy: 0.7752660901900352 Energy: 0.6466492668445979 Energy: 0.721872667582351 Energy: 0.7218725060440562 Energy: 0.6794402206761048 Energy: 0.6998843575241998 Energy: 0.6998843575558076 Energy: 0.673577838134623 Energy: 0.7288883238511777 Energy: 0.7288913150424162 minimum gb energy = 0.6466492668445979 eV minimum distance = 2.62626508928158 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.7706518302449579 Energy: 0.7558232059423496 Energy: 0.7558229745145792 Energy: 0.7046792108389792 Energy: 0.6924619936018299 Energy: 0.6924618742279731 Energy: 0.6780026590271977 Energy: 0.7350718171524702 Energy: 0.7350715538588187 Energy: 0.6737313092078309 Energy: 0.7030410634912282 Energy: 0.7030410280420485 Energy: 0.7101015974637765 Energy: 0.6985689051799963 Energy: 0.698568933763002 Energy: 0.6438188340676247 Energy: 0.7551182582585794 Energy: 0.75511804316781 Energy: 0.7101012754112798 Energy: 0.6875855583099174 Energy: 0.6875855583085912 Energy: 0.7101012636031312 Energy: 0.6837030609970635 Energy: 0.6837030589990641 Energy: 0.6598050951340464 Energy: 0.7350716856532239 Energy: 0.7350715431901768 Energy: 0.7101012849797562 Energy: 0.7047974032307297 Energy: 0.7047974530463172 minimum gb energy = 0.6438188340676247 eV minimum distance = 2.62031521571054 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.7820970633962686 Energy: 0.7735524471341106 Energy: 0.7735524769046167 Energy: 0.7166628509695818 Energy: 0.7197747765275601 Energy: 0.7197747755636251 Energy: 0.720934785659131 Energy: 0.7207721390703378 Energy: 0.7207722354430636 Energy: 0.710766852226725 Energy: 0.7150082220550064 Energy: 0.7150082421517591 Energy: 0.726638645227508 Energy: 0.7138157511270737 Energy: 0.7138178685064301 Energy: 0.7266378551551728 Energy: 0.7474017736972248 Energy: 0.7474022517308405 Energy: 0.7027144176151501 Energy: 0.747401810796979 Energy: 0.7474017883843402 Energy: 0.7091008863300193 Energy: 0.7138183010140822 Energy: 0.7138158122298012 Energy: 0.7209347727857395 Energy: 0.7207721492583324 Energy: 0.7207721380913646 Energy: 0.7266391256954619 Energy: 0.7197748617566152 Energy: 0.7197748084726003 minimum gb energy = 0.7027144176151501 eV minimum distance = 2.63079629982145 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.7978542346543742 Energy: 0.8172096835475307 Energy: 0.8172101099594935 Energy: 0.7526121989226016 Energy: 0.8172099596643044 Energy: 0.8172103876941361 Energy: 0.7066767595944982 Energy: 0.8172102833992686 Energy: 0.8172098836377074 Energy: 0.6965082647105003 Energy: 0.8172104421094143 Energy: 0.817210286098821 Energy: 0.7208526326242355 Energy: 0.8154073056791992 Energy: 0.8154065139107884 Energy: 0.702766008010678 Energy: 0.8154064589425616 Energy: 0.815408537868668 Energy: 0.7538312713791243 Energy: 0.8154073573841416 Energy: 0.815406664859703 Energy: 0.7063940802044905 Energy: 0.8172105456077238 Energy: 0.8172102426212021 Energy: 0.7429417896126626 Energy: 0.8172088388992658 Energy: 0.8172104582677602 Energy: 0.762101659254381 Energy: 0.8172093666942067 Energy: 0.8172103946604268 minimum gb energy = 0.6965082647105003 eV minimum distance = 2.61509610498885 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.8048118181073465 Energy: 0.8264122718997783 Energy: 0.8264114415622194 Energy: 0.7743804122971076 Energy: 0.7559168139062902 Energy: 0.7559166517093319 Energy: 0.7743803936930995 Energy: 0.7623595932431958 Energy: 0.7623582417387317 Energy: 0.8043406860061895 Energy: 0.7746014249140334 Energy: 0.7746014300604923 Energy: 0.7769350423018143 Energy: 0.7799537318962028 Energy: 0.7799523536352503 Energy: 0.7769346238146657 Energy: 0.7833414111170692 Energy: 0.7833414121709369 Energy: 0.8043406816853728 Energy: 0.7799524255046579 Energy: 0.7799523176354454 Energy: 0.7769356432128057 Energy: 0.7623583280820371 Energy: 0.7623585751567956 Energy: 0.7743804015277816 Energy: 0.7559174677019564 Energy: 0.7559172636929135 Energy: 0.7880290274523989 Energy: 0.7810765236403674 Energy: 0.7810765260840414 minimum gb energy = 0.7559166517093319 eV minimum distance = 2.61518426454095 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.858479430145511 Energy: 0.7990205134418549 Energy: 0.7990205497853899 Energy: 0.8043738288608556 Energy: 0.7830609033319532 Energy: 0.7830610480445923 Energy: 0.7962938433469893 Energy: 0.7891565884653449 Energy: 0.7891570161649675 Energy: 0.7683258669700583 Energy: 0.7995255852937435 Energy: 0.7995245074161023 Energy: 0.799680324459617 Energy: 0.8563866435183592 Energy: 0.8563867944635946 Energy: 0.7889570837680553 Energy: 0.7860273913497057 Energy: 0.7860272820530685 Energy: 0.7914926229139092 Energy: 0.7938121465460469 Energy: 0.7938123073758191 Energy: 0.7957279799547768 Energy: 0.861094462238412 Energy: 0.8610944604953018 Energy: 0.737545802793151 Energy: 0.8067952347072365 Energy: 0.8067986499052855 Energy: 0.8026815569144955 Energy: 0.7939081350105456 Energy: 0.7939087924221679 minimum gb energy = 0.737545802793151 eV minimum distance = 2.62386890897029 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.8442232090087567 Energy: 0.8206972285494987 Energy: 0.8206972226491801 Energy: 0.8089929431196107 Energy: 0.7864127305973418 Energy: 0.7864168739088578 Energy: 0.8197713278914871 Energy: 0.8206972294260017 Energy: 0.8206972524364439 Energy: 0.768218245561183 Energy: 0.8084462450914028 Energy: 0.8084462451079744 Energy: 0.7883745658122228 Energy: 0.8720272255237054 Energy: 0.8720268564273064 Energy: 0.7591858889786596 Energy: 0.8043100851889814 Energy: 0.8043100850219478 Energy: 0.7782552313963716 Energy: 0.8674687479278557 Energy: 0.8674687097625757 Energy: 0.7456539230450978 Energy: 0.8206972168841644 Energy: 0.8206972508303845 Energy: 0.8197713284967566 Energy: 0.8043100851123695 Energy: 0.804310085071631 Energy: 0.8089928795904149 Energy: 0.8084462451024506 Energy: 0.8084462452660004 minimum gb energy = 0.7456539230450978 eV minimum distance = 2.6370909487941 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.8778329886895353 Energy: 0.8220590713772618 Energy: 0.822058942296838 Energy: 0.7615761353791879 Energy: 0.8241190916781095 Energy: 0.8241191626254712 Energy: 0.7961494309876566 Energy: 0.8194591026421059 Energy: 0.8194586672561559 Energy: 0.7733945443697372 Energy: 0.8241190471800137 Energy: 0.8241191105099119 Energy: 0.8194602833757999 Energy: 0.822059732801634 Energy: 0.8220588876270171 Energy: 0.8260443529173251 Energy: 0.8194578178653928 Energy: 0.8194595384503184 Energy: 0.8095494191236033 Energy: 0.8175460108827852 Energy: 0.8175462033249971 Energy: 0.8175461865858796 Energy: 0.8082383208717662 Energy: 0.8082387688144672 Energy: 0.8031176959316965 Energy: 0.8184955596070519 Energy: 0.8184955255318519 Energy: 0.7980823876389461 Energy: 0.8837516780565482 Energy: 0.8837516777819576 minimum gb energy = 0.7615761353791879 eV minimum distance = 2.6347623198482 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.8450052728642935 Energy: 0.8526213774993099 Energy: 0.8526220221880512 Energy: 0.8060292339334472 Energy: 0.827609718565679 Energy: 0.8276097222980308 Energy: 0.8668198721284541 Energy: 0.8282120270632013 Energy: 0.8282120849828896 Energy: 0.8393764146798882 Energy: 0.8589272381988221 Energy: 0.8589272384940762 Energy: 0.8276096900386736 Energy: 0.8060292342359253 Energy: 0.8060292317680129 Energy: 0.827609728126824 Energy: 0.8071313312218755 Energy: 0.8071313400914306 Energy: 0.8100766178947435 Energy: 0.8398143416573199 Energy: 0.8398142994404824 Energy: 0.7964422041450352 Energy: 0.8285134392214246 Energy: 0.8285131243068687 Energy: 0.8165229977895304 Energy: 0.8276097345124132 Energy: 0.8276097171463795 Energy: 0.8043201092302822 Energy: 0.8073010851132394 Energy: 0.8073010868141477 minimum gb energy = 0.7964422041450352 eV minimum distance = 2.60155590347137 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.8420153144363042 Energy: 0.8635962937958968 Energy: 0.8635943027065012 Energy: 0.8161979003825619 Energy: 0.8499011249640331 Energy: 0.8499023748997722 Energy: 0.8420121106808375 Energy: 0.8354876125793722 Energy: 0.8354850344067958 Energy: 0.8664692730440916 Energy: 0.8699326413115187 Energy: 0.869932607480217 Energy: 0.8353523727231867 Energy: 0.838845977421757 Energy: 0.8388444040643852 Energy: 0.8586875701609779 Energy: 0.8353522481220282 Energy: 0.8353522081770448 Energy: 0.8349044630758921 Energy: 0.8157836931604027 Energy: 0.8157834660574387 Energy: 0.8798828394485146 Energy: 0.8349044627677218 Energy: 0.8349044637398129 Energy: 0.835352420839556 Energy: 0.8456043721075939 Energy: 0.8456044489485705 Energy: 0.9018869297460369 Energy: 0.8353523154572663 Energy: 0.8353527449063514 minimum gb energy = 0.8157834660574387 eV minimum distance = 2.60347429415554 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.8563594186874165 Energy: 0.8532265928681588 Energy: 0.8532262908131414 Energy: 0.7963041068501219 Energy: 0.8476939956733929 Energy: 0.8476939937410202 Energy: 0.9112823431769362 Energy: 0.9171362729518193 Energy: 0.9171362783565481 Energy: 0.8395483043104865 Energy: 0.8011540420462849 Energy: 0.8011540435135182 Energy: 0.8395482852651598 Energy: 0.9171362932681736 Energy: 0.9171362725957724 Energy: 0.8127025443788192 Energy: 0.8476941061485705 Energy: 0.8476939937429352 Energy: 0.7869222618714222 Energy: 0.853225600897171 Energy: 0.8532255909337739 Energy: 0.7869225815724956 Energy: 0.8122610695847869 Energy: 0.8122611665390138 Energy: 0.8287782055812885 Energy: 0.9171362774281622 Energy: 0.9171362798687631 Energy: 0.8287779002434398 Energy: 0.9171362771621008 Energy: 0.9171362765285019 minimum gb energy = 0.7869222618714222 eV minimum distance = 2.62342322827521 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.8591250537924462 Energy: 0.8676983521371218 Energy: 0.8676982812025447 Energy: 0.8505047860516243 Energy: 0.825867857228988 Energy: 0.8258652636144682 Energy: 0.850506645378229 Energy: 0.8258604385052294 Energy: 0.825860957883308 Energy: 0.856537031441649 Energy: 0.8676985676325248 Energy: 0.8676982495689973 Energy: 0.8505071348096469 Energy: 0.8307689415446814 Energy: 0.8307689235238107 Energy: 0.850503833362174 Energy: 0.851279668884261 Energy: 0.8512796656178423 Energy: 0.8282828042033594 Energy: 0.8676984118525011 Energy: 0.8676986270404732 Energy: 0.8532624794847111 Energy: 0.839309296313275 Energy: 0.8393085045067614 Energy: 0.8505068656881793 Energy: 0.8478989661009365 Energy: 0.8478994578617551 Energy: 0.8084573295540645 Energy: 0.8676990264717298 Energy: 0.8676986826714262 minimum gb energy = 0.8084573295540645 eV minimum distance = 2.62689243482572 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.8986935405533778 Energy: 0.8688486142859693 Energy: 0.8688487519772695 Energy: 0.8617600313103263 Energy: 0.8958588512555596 Energy: 0.8958588363440307 Energy: 0.8149250674989327 Energy: 0.8961633366771053 Energy: 0.8961617653595205 Energy: 0.845573103108014 Energy: 0.8277257294638471 Energy: 0.8277257310984523 Energy: 0.8301149296169175 Energy: 0.8811095002760188 Energy: 0.8811068377885387 Energy: 0.9381106551092742 Energy: 0.8455727790647029 Energy: 0.8455730425409674 Energy: 0.8492148580387194 Energy: 0.847258149399655 Energy: 0.8472581423949198 Energy: 0.8148024114802012 Energy: 0.8472581777278194 Energy: 0.8472581694971183 Energy: 0.8816014855824165 Energy: 0.8455723685712759 Energy: 0.8455730180838511 Energy: 0.8148030157104644 Energy: 0.8478745704484784 Energy: 0.8478746226821344 minimum gb energy = 0.8148024114802012 eV minimum distance = 2.59687068616221 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.9105831159150531 Energy: 0.8589128650178307 Energy: 0.858912818260117 Energy: 0.8327119849557206 Energy: 0.8589125195227127 Energy: 0.8589126528465149 Energy: 0.8327120536883573 Energy: 0.8748184355827021 Energy: 0.8748184270956233 Energy: 0.8327119972569414 Energy: 0.8342700550624716 Energy: 0.8342689312702382 Energy: 0.8146881915067415 Energy: 0.9226415602097096 Energy: 0.9226408339728523 Energy: 0.873357618840171 Energy: 0.8558193950189315 Energy: 0.8558193888670402 Energy: 0.8904825839174002 Energy: 0.8486837702446797 Energy: 0.8486837660238294 Energy: 0.8979976427316797 Energy: 0.8342642421739748 Energy: 0.834263898955891 Energy: 0.8823345200518181 Energy: 0.8559567088918393 Energy: 0.8559567104138764 Energy: 0.8126561273132021 Energy: 0.863075686274322 Energy: 0.863075657163889 minimum gb energy = 0.8126561273132021 eV minimum distance = 2.60848861057114 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.8089510391859914 Energy: 0.8391130063601824 Energy: 0.8391131522165587 Energy: 0.9193536060188804 Energy: 0.7958754148800842 Energy: 0.7958754181729523 Energy: 1.0324126836442793 Energy: 0.8391131984826564 Energy: 0.8391130176793238 Energy: 0.7952778189740648 Energy: 0.7992613341909648 Energy: 0.7992613339305561 Energy: 0.9082622376423921 Energy: 0.7952778188923842 Energy: 0.7952778218396377 Energy: 0.795277819519723 Energy: 0.846457536023096 Energy: 0.8464590555217539 Energy: 0.9188274784353331 Energy: 0.7952778197090816 Energy: 0.7952778191409515 Energy: 0.7958754149108456 Energy: 0.8464557003766465 Energy: 0.8464556903204445 Energy: 0.7952778202807914 Energy: 0.8391130048048617 Energy: 0.8391132078985211 Energy: 0.7969067977819595 Energy: 0.7952778189065943 Energy: 0.7952778195493001 minimum gb energy = 0.7952778188923842 eV minimum distance = 2.69240914324379 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.8979917443613973 Energy: 0.8548612764723046 Energy: 0.8548630869581718 Energy: 0.8179988119510072 Energy: 0.8520627621610817 Energy: 0.8520627623251679 Energy: 0.8748041244982114 Energy: 0.8914672181179153 Energy: 0.8914747501805814 Energy: 0.8813946064544452 Energy: 0.855670553614186 Energy: 0.8556704711327304 Energy: 0.8736762307631334 Energy: 0.8799775699900388 Energy: 0.8799779952617665 Energy: 0.903373249283223 Energy: 0.9384587769784591 Energy: 0.9384587236566722 Energy: 0.8782156214277389 Energy: 0.8548610083279252 Energy: 0.8548609807822419 Energy: 0.8179988129563671 Energy: 0.8196975939296787 Energy: 0.8196966944891582 Energy: 0.9013913383071283 Energy: 0.8564151060230722 Energy: 0.8564157431113766 Energy: 0.8472769423613302 Energy: 0.8556701339718221 Energy: 0.8556701353613075 minimum gb energy = 0.8179988119510072 eV minimum distance = 2.63412760727997 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.9042977288071385 Energy: 0.8462018149468014 Energy: 0.8462017773287042 Energy: 0.8469735883831353 Energy: 0.9060275625298547 Energy: 0.9060270626781886 Energy: 0.9518988100374659 Energy: 0.8733732553480802 Energy: 0.8733734496103587 Energy: 0.8469733462390691 Energy: 0.8462017817236832 Energy: 0.8462016173129465 Energy: 0.8210369699126536 Energy: 0.8462017887193874 Energy: 0.8462016195934812 Energy: 0.9433325720710177 Energy: 0.9515512459288279 Energy: 0.9515508862328381 Energy: 0.8676422793539244 Energy: 0.912811243993365 Energy: 0.9128111755863371 Energy: 0.8469737250893388 Energy: 0.8462017806339261 Energy: 0.8462018260117662 Energy: 0.8210438214162886 Energy: 0.9060280321499161 Energy: 0.9060357042776086 Energy: 0.9480412608128375 Energy: 0.8321804472604256 Energy: 0.8321801796448285 minimum gb energy = 0.8210369699126536 eV minimum distance = 2.60402867778931 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.8165715966374248 Energy: 0.8357917511371405 Energy: 0.8357912988037778 Energy: 0.8133154162295833 Energy: 0.8677767448822554 Energy: 0.8677766901657107 Energy: 0.8133154066930882 Energy: 0.8770802178878897 Energy: 0.8770875634129164 Energy: 0.8833473799373851 Energy: 0.8141109554628159 Energy: 0.8141111079683317 Energy: 1.0778228239327812 Energy: 0.8165715932621727 Energy: 0.8165715869648479 Energy: 1.01184765140995 Energy: 0.9071254446568694 Energy: 0.9071267979471408 Energy: 0.8133151365339033 Energy: 0.8770801114030281 Energy: 0.8770802582172166 Energy: 0.8732708577978003 Energy: 0.894016090389126 Energy: 0.8940164670096689 Energy: 0.8165715273097854 Energy: 0.8357913062990441 Energy: 0.8357913865501533 Energy: 0.8133156283284917 Energy: 0.9406358053006655 Energy: 0.9406321614828123 minimum gb energy = 0.8133151365339033 eV minimum distance = 2.66160755126868 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.8680734338783844 Energy: 0.8300311940964067 Energy: 0.8300323934842356 Energy: 0.9847495290769238 Energy: 0.8981514358276362 Energy: 0.8981514475408949 Energy: 0.8887549245329067 Energy: 0.876463021698086 Energy: 0.8764610007902347 Energy: 0.8075911361207562 Energy: 0.9700457769830003 Energy: 0.97004469509595 Energy: 1.097608755786826 Energy: 0.8837521290714856 Energy: 0.883752052843325 Energy: 0.8075913668012227 Energy: 0.9346570635056645 Energy: 0.9346634127787696 Energy: 0.8887554938096905 Energy: 0.8764636122492488 Energy: 0.8764636578377716 Energy: 0.935990687766084 Energy: 0.8981514295886583 Energy: 0.8981514308741296 Energy: 0.8204225497092547 Energy: 0.8300315745879584 Energy: 0.8300311984370967 Energy: 0.9914595362449786 Energy: 0.892918950367939 Energy: 0.8929266553430326 minimum gb energy = 0.8075911361207562 eV minimum distance = 2.65930081299024 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.8701832145427235 Energy: 0.8836857795760881 Energy: 0.8836857801271959 Energy: 0.8135642059321236 Energy: 0.8895623423522369 Energy: 0.8895637520618378 Energy: 0.8645064068342982 Energy: 0.9063419945717189 Energy: 0.906342006803028 Energy: 0.869774420211623 Energy: 0.8655827387445292 Energy: 0.865582860162984 Energy: 1.065140459070518 Energy: 0.8704828471516187 Energy: 0.8705074442808582 Energy: 0.8697741371527568 Energy: 0.8655835082909208 Energy: 0.8655835239914871 Energy: 0.8645064115504336 Energy: 0.9063419933564624 Energy: 0.9063420065855936 Energy: 0.8135642870571552 Energy: 0.8903277627609868 Energy: 0.890327762779653 Energy: 0.8705042912551341 Energy: 0.8836858434135404 Energy: 0.8836858048441889 Energy: 0.8135641940671537 Energy: 0.8895613891190355 Energy: 0.8895616857145346 minimum gb energy = 0.8135641940671537 eV minimum distance = 2.61217648111994 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.7607951797727586 Energy: 0.7607964696409031 Energy: 0.7607951660653861 Energy: 0.9243227695530812 Energy: 0.7999349932777475 Energy: 0.7999388338839625 Energy: 0.7707108974142993 Energy: 0.802868458956201 Energy: 0.8028684430604367 Energy: 0.922864535003933 Energy: 0.7999349101460155 Energy: 0.799934481753838 Energy: 0.7607952829038273 Energy: 0.7607951664897654 Energy: 0.7607952968673921 Energy: 0.9243227690638556 Energy: 0.799934596765034 Energy: 0.7999358829416336 Energy: 0.7600458220620677 Energy: 0.8020289536781863 Energy: 0.802029098096541 Energy: 0.9228687471372264 Energy: 0.8435943874585703 Energy: 0.8435943874539384 Energy: 0.7600448419868051 Energy: 0.760045194182732 Energy: 0.7600447717969908 Energy: 0.9243227757755674 Energy: 0.8436735764803023 Energy: 0.843673576486478 minimum gb energy = 0.7600447717969908 eV minimum distance = 2.668566299025 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.9151415686662691 Energy: 0.8687567606368971 Energy: 0.8687578864387063 Energy: 1.046041196003578 Energy: 0.8896538940603401 Energy: 0.8896538197653866 Energy: 0.8727409088016417 Energy: 0.9097917256832415 Energy: 0.9097986646041626 Energy: 0.8873801127124984 Energy: 0.9022939050372533 Energy: 0.902307471135034 Energy: 0.8837204498316427 Energy: 0.8725999912081698 Energy: 0.8725983657513913 Energy: 0.8700907594748375 Energy: 0.9064750777871842 Energy: 0.9064751945031148 Energy: 1.0952293035663923 Energy: 0.9084571971968467 Energy: 0.9084572111550837 Energy: 0.9093167343861804 Energy: 0.9357511806590417 Energy: 0.9357520853067184 Energy: 1.0616131504996267 Energy: 0.8865300662152313 Energy: 0.8865296871246569 Energy: 0.8838843909733799 Energy: 0.8699316357464171 Energy: 0.8699315758076065 minimum gb energy = 0.8687567606368971 eV minimum distance = 2.60188398773163 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.9146999624824642 Energy: 0.9077996497955007 Energy: 0.9077998465503319 Energy: 0.8261035754509397 Energy: 0.895669813131657 Energy: 0.895669811547663 Energy: 0.8215291351829752 Energy: 0.9022287653717734 Energy: 0.9022298912619813 Energy: 0.8334616072447697 Energy: 0.8703790352536747 Energy: 0.8703790353158088 Energy: 0.9074380641649257 Energy: 0.9101590148945627 Energy: 0.9101377991556575 Energy: 1.013349579596766 Energy: 0.9115526679125819 Energy: 0.9115527361989548 Energy: 1.1328755291481305 Energy: 0.8215291395305071 Energy: 0.8215291359201284 Energy: 1.0075836517669812 Energy: 0.8233579958556079 Energy: 0.8233582424121598 Energy: 1.0102483581803394 Energy: 0.8981689271685389 Energy: 0.8981689320701968 Energy: 0.9616711467008069 Energy: 0.9091941219766182 Energy: 0.9091939476461837 minimum gb energy = 0.8215291351829752 eV minimum distance = 2.614488102611 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.8420242175234912 Energy: 0.9569635185136594 Energy: 0.9569635013938559 Energy: 1.0842015871874557 Energy: 0.8520505155453868 Energy: 0.8520547331262972 Energy: 0.9584072457262911 Energy: 0.8958283997552895 Energy: 0.8958234996563623 Energy: 0.8354568758034906 Energy: 0.9065813199672618 Energy: 0.9065812919874072 Energy: 0.958877832007064 Energy: 0.9557170098680551 Energy: 0.955721793411135 Energy: 0.8354573012745773 Energy: 0.8962455701469321 Energy: 0.8962431981452128 Energy: 1.1013532081893336 Energy: 0.9842588857569313 Energy: 0.9842559757929237 Energy: 0.8529123853627578 Energy: 0.8997046997659147 Energy: 0.9001191478188211 Energy: 0.9747485212548965 Energy: 0.8910119632411343 Energy: 0.8910141867876018 Energy: 0.8354635070831792 Energy: 0.8910129848259226 Energy: 0.8910138765900627 minimum gb energy = 0.8354568758034906 eV minimum distance = 2.60876511436961 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.9207560532308424 Energy: 0.9206801023625114 Energy: 0.9206737173015836 Energy: 0.8872745997927092 Energy: 0.9186725510106439 Energy: 0.9186725489153785 Energy: 0.8829571332734689 Energy: 0.8848110997745221 Energy: 0.8848110557464463 Energy: 0.8406674953082586 Energy: 0.9206786887399042 Energy: 0.9206795531475471 Energy: 0.9204025594518933 Energy: 0.909923812735746 Energy: 0.9099005319796475 Energy: 0.8494063779089783 Energy: 0.8474427883321586 Energy: 0.8474428423160117 Energy: 0.8473924738639711 Energy: 0.9528101850317954 Energy: 0.9528078551486485 Energy: 0.8792331306189346 Energy: 0.9069655028855717 Energy: 0.9069538536104039 Energy: 0.8853937439504631 Energy: 0.8474426258332487 Energy: 0.8474440501534051 Energy: 0.8473926720266253 Energy: 0.952273742624293 Energy: 0.9522734545505318 minimum gb energy = 0.8406674953082586 eV minimum distance = 2.581669016411 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.8969050826072495 Energy: 0.9102934197567608 Energy: 0.9102933594734219 Energy: 0.8646970261921829 Energy: 0.8924724007193053 Energy: 0.8924718967281987 Energy: 0.8505425712717245 Energy: 0.9266314905509646 Energy: 0.9266314659609475 Energy: 0.850722211925153 Energy: 0.8369001860601812 Energy: 0.836898590026417 Energy: 1.0787495861249699 Energy: 0.8368984979303055 Energy: 0.8368984978686741 Energy: 0.9518364253962709 Energy: 0.9011264127095417 Energy: 0.9011264154590907 Energy: 0.9421509225093104 Energy: 0.8463782925975297 Energy: 0.8463784138112433 Energy: 0.9212086539410029 Energy: 0.8368986238347388 Energy: 0.8368984972732754 Energy: 0.896906332598205 Energy: 0.9229639968393754 Energy: 0.92296441884533 Energy: 0.869295262741358 Energy: 0.9177972487087382 Energy: 0.9177972487676291 minimum gb energy = 0.8368984972732754 eV minimum distance = 2.61139038838407 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.8872901011845497 Energy: 0.8694284509715292 Energy: 0.8694275312224087 Energy: 0.8541705232959627 Energy: 0.8709175205629902 Energy: 0.8709161848277946 Energy: 0.991623910925967 Energy: 0.8644236877483856 Energy: 0.8644228497374435 Energy: 0.8794157063690651 Energy: 0.9251819832199855 Energy: 0.9251707808971492 Energy: 0.8528344836618629 Energy: 0.8841203065547615 Energy: 0.8841208124095393 Energy: 0.8652542325182141 Energy: 0.9435625743650994 Energy: 0.9435622566808265 Energy: 0.8699297169909295 Energy: 0.8810122484789423 Energy: 0.8810146696255821 Energy: 1.0697055801347304 Energy: 0.8576130175137765 Energy: 0.8576130575699225 Energy: 0.8892251628901061 Energy: 0.9237996224347738 Energy: 0.9237996630645209 Energy: 0.8621122243421695 Energy: 0.9635447190119066 Energy: 0.9635452824396568 minimum gb energy = 0.8528344836618629 eV minimum distance = 2.56208180088369 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.8619148837224724 Energy: 0.8809709292780173 Energy: 0.8809709307172771 Energy: 0.8755592010666537 Energy: 0.8625892318910077 Energy: 0.8625892251644279 Energy: 0.9401250010352987 Energy: 0.877884019271876 Energy: 0.8778765896163102 Energy: 0.854817001251784 Energy: 0.8644088287676319 Energy: 0.8644082107758767 Energy: 0.8619150070927099 Energy: 0.8941539998706398 Energy: 0.8941534998778187 Energy: 0.9659223157619383 Energy: 0.8550522123059314 Energy: 0.8550522922458416 Energy: 0.8598759461659089 Energy: 0.8809709299655923 Energy: 0.8809709315830184 Energy: 0.8584850210382057 Energy: 0.939718387397378 Energy: 0.9397178859492986 Energy: 1.0569285830270772 Energy: 0.8923957134817067 Energy: 0.8923956104617109 Energy: 0.8548170000560239 Energy: 0.9167964389073999 Energy: 0.9167964318116948 minimum gb energy = 0.8548170000560239 eV minimum distance = 2.60170199277825 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.8721310565907033 Energy: 0.8881054352384032 Energy: 0.8881053606874613 Energy: 0.8647898364873013 Energy: 0.9204599637728132 Energy: 0.9204597152797078 Energy: 0.9184017043182519 Energy: 0.860836329086121 Energy: 0.8608368188759039 Energy: 0.8626639807546841 Energy: 0.9241175196700074 Energy: 0.9241206711242296 Energy: 0.8608365814620607 Energy: 0.939109065687819 Energy: 0.9391148854051853 Energy: 0.9242111011383252 Energy: 0.8639164176669998 Energy: 0.8639169649807952 Energy: 0.8662460851857064 Energy: 0.8711630555141407 Energy: 0.8711631743201645 Energy: 0.8723526875511927 Energy: 0.93935638881259 Energy: 0.9393565601914345 Energy: 0.9085253556035094 Energy: 0.9419608337209396 Energy: 0.9419608318929786 Energy: 0.8772186038471967 Energy: 0.9342377315369644 Energy: 0.9342377523991827 minimum gb energy = 0.860836329086121 eV minimum distance = 2.57109414205611 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.8669395451831975 Energy: 0.8886858295457898 Energy: 0.8886858813969111 Energy: 0.8727696104160767 Energy: 0.9403247257381951 Energy: 0.9403246186153782 Energy: 0.8887234245490607 Energy: 0.916461917128976 Energy: 0.9164621933077522 Energy: 0.8642475226149721 Energy: 0.9144250500106621 Energy: 0.9144251565240079 Energy: 0.9165796948617587 Energy: 0.8565116878020727 Energy: 0.8565114536080803 Energy: 0.9158637670584153 Energy: 0.8788278468394627 Energy: 0.8788233931281947 Energy: 0.8528374234054034 Energy: 0.8626000864227665 Energy: 0.8625998941424783 Energy: 0.8748658604168369 Energy: 0.8589211996023693 Energy: 0.8589235315033958 Energy: 0.865587061561015 Energy: 0.9738022450371778 Energy: 0.9738026684232527 Energy: 0.8528356288613053 Energy: 0.8772221446203163 Energy: 0.8772217528530881 minimum gb energy = 0.8528356288613053 eV minimum distance = 2.5895921524585 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.8694503767799958 Energy: 0.8841429264859039 Energy: 0.8841429255468709 Energy: 0.9458411407391561 Energy: 0.8668864442659132 Energy: 0.8668864636986039 Energy: 0.857299450527275 Energy: 0.9355684952368765 Energy: 0.9355700265347526 Energy: 0.9839423432071664 Energy: 0.8559401834368735 Energy: 0.8559403208179767 Energy: 0.873077435357121 Energy: 0.9332360357186302 Energy: 0.9332361568420723 Energy: 0.8924104717388825 Energy: 0.8577145781456382 Energy: 0.8577145659475098 Energy: 0.8645719610066172 Energy: 0.9438679709546397 Energy: 0.9438679601621931 Energy: 0.8679997155095281 Energy: 0.8616117435018784 Energy: 0.8616102133345868 Energy: 0.8552070029214865 Energy: 0.8841918824166373 Energy: 0.8841918595055163 Energy: 0.9118680767607296 Energy: 0.8546024092648926 Energy: 0.8546022723667756 minimum gb energy = 0.8546022723667756 eV minimum distance = 2.59800736472139 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.8639426423018651 Energy: 0.8866538689761886 Energy: 0.8866537812861023 Energy: 0.8592731329415654 Energy: 0.8866536980355235 Energy: 0.886653730088926 Energy: 0.8604130097839716 Energy: 0.9165388850259523 Energy: 0.9165388264908143 Energy: 0.8666013414552273 Energy: 0.9006591536060183 Energy: 0.9006593889910826 Energy: 0.8779176083159611 Energy: 0.8565212537704797 Energy: 0.8565212740257391 Energy: 0.884068303826973 Energy: 0.8565212192517299 Energy: 0.8565221860430996 Energy: 0.9316215378509755 Energy: 0.8565213207562719 Energy: 0.8565218851628854 Energy: 0.9452575335386876 Energy: 0.8588863500184323 Energy: 0.858886310709308 Energy: 0.8910708521569085 Energy: 0.8584783191799485 Energy: 0.858478950075858 Energy: 0.9121323956407719 Energy: 0.8565220207300902 Energy: 0.8565212061389548 minimum gb energy = 0.8565212061389548 eV minimum distance = 2.60320193609591 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.8319759062837127 Energy: 0.8792716049107473 Energy: 0.8792717183574613 Energy: 0.8730875185068454 Energy: 0.831975906406807 Energy: 0.831975906363807 Energy: 0.8814948990508311 Energy: 0.8330363428058029 Energy: 0.8330363428671391 Energy: 0.8319759065896994 Energy: 0.8046618955875989 Energy: 0.8046618955874004 Energy: 0.831975906281951 Energy: 0.8319759065242195 Energy: 0.8319759063408805 Energy: 0.8319759163036637 Energy: 0.8330363439754107 Energy: 0.833036342804711 Energy: 0.8730875185083838 Energy: 0.7952567295764894 Energy: 0.7952567295753977 Energy: 0.8319759062793456 Energy: 0.831975906280214 Energy: 0.8319759075567636 Energy: 0.8319759070521783 Energy: 0.831975910373966 Energy: 0.8319759069740439 Energy: 0.8046618975178318 Energy: 0.7952567296022448 Energy: 0.7952567296568074 minimum gb energy = 0.7952567295753977 eV minimum distance = 2.65960564805679 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.8408676148162655 Energy: 0.8779498966426017 Energy: 0.8779498942868901 Energy: 0.8307885477933112 Energy: 0.92160564748734 Energy: 0.9216048329117285 Energy: 0.8326304230045573 Energy: 0.8779463296705206 Energy: 0.8779461060317757 Energy: 0.8284270550147466 Energy: 0.8277888565198128 Energy: 0.8277888580625332 Energy: 0.8637552236483331 Energy: 0.8739937397103238 Energy: 0.8739937692434154 Energy: 0.9237675516636278 Energy: 0.8270867001079473 Energy: 0.8270861218218983 Energy: 0.827682388458377 Energy: 0.8417097993007415 Energy: 0.8417099783828943 Energy: 0.8238843618742019 Energy: 0.8348468804424108 Energy: 0.8348453396694995 Energy: 0.8484772180246641 Energy: 0.8346991980067547 Energy: 0.8346992682671699 Energy: 0.8461369766553077 Energy: 0.9824253524596088 Energy: 0.982425230283173 minimum gb energy = 0.8238843618742019 eV minimum distance = 2.6378603083362 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.8384230871758762 Energy: 0.8793673631903298 Energy: 0.879367364669133 Energy: 0.8276709616059879 Energy: 0.8254011149248869 Energy: 0.8254012336122846 Energy: 0.8842977150429872 Energy: 0.8232142672201824 Energy: 0.8232145395574977 Energy: 0.8392225695304066 Energy: 0.8385379250751003 Energy: 0.8385377340956821 Energy: 0.831105161113472 Energy: 0.869049896812317 Energy: 0.8690500051020975 Energy: 0.8277754663681354 Energy: 0.8617325453147244 Energy: 0.8617311655028284 Energy: 0.8304551413905633 Energy: 0.8954212332385615 Energy: 0.8954212036177946 Energy: 0.824824411219906 Energy: 0.9121173074062681 Energy: 0.9121171970430308 Energy: 0.8475461840168336 Energy: 0.831105219488773 Energy: 0.8311047109980458 Energy: 0.8508884276781462 Energy: 0.8258774218494693 Energy: 0.8258774662408026 minimum gb energy = 0.8232142672201824 eV minimum distance = 2.61165050354109 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.8351880145462115 Energy: 0.8807173159439043 Energy: 0.8807173157799278 Energy: 0.8564577406735386 Energy: 0.8678115909801654 Energy: 0.8678115909754893 Energy: 0.8447763550451859 Energy: 0.8644330511304685 Energy: 0.8644330510459476 Energy: 0.8255603537049596 Energy: 0.884271608190035 Energy: 0.8842727229064249 Energy: 0.8384284766196975 Energy: 0.8639904292103868 Energy: 0.8639906673589411 Energy: 0.9106174032234112 Energy: 0.8214832108315903 Energy: 0.8214831882627044 Energy: 0.8218068767346827 Energy: 0.8260164353391899 Energy: 0.8260164196817579 Energy: 0.8241750286279121 Energy: 0.8697693880480606 Energy: 0.8697694855182351 Energy: 0.837950024379743 Energy: 0.825560352291092 Energy: 0.8255603562272712 Energy: 0.8141450435482519 Energy: 0.8390637359699351 Energy: 0.8390637359773387 minimum gb energy = 0.8141450435482519 eV minimum distance = 2.59377627239479 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.8307347628948234 Energy: 0.8815661615560465 Energy: 0.8815661684595685 Energy: 0.8335267873416151 Energy: 0.8187649655151382 Energy: 0.8187648327068867 Energy: 0.809183259989776 Energy: 0.8216604132178911 Energy: 0.8216607796581054 Energy: 0.8104848222073184 Energy: 0.8341685386481326 Energy: 0.8341685248922619 Energy: 0.9244962221051068 Energy: 0.8163160756608995 Energy: 0.8163160868566484 Energy: 0.945225593492841 Energy: 0.8108643764025718 Energy: 0.8108651521504517 Energy: 0.8627270425852597 Energy: 0.8119777538783177 Energy: 0.8119777375608591 Energy: 0.8097779993022957 Energy: 0.8150280284807183 Energy: 0.8150293353256094 Energy: 0.8104847568303735 Energy: 0.8187647828055444 Energy: 0.8187647962187236 Energy: 0.8158087863140161 Energy: 0.8437869303839566 Energy: 0.8437869431093162 minimum gb energy = 0.809183259989776 eV minimum distance = 2.59153883777187 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.8328562155760699 Energy: 0.8560503250029938 Energy: 0.856049919558729 Energy: 0.843266526609129 Energy: 0.8172827883123249 Energy: 0.8172828232866974 Energy: 0.8149236364746533 Energy: 0.8736185618269392 Energy: 0.8736185611053763 Energy: 0.8883549236481482 Energy: 0.8098336014122334 Energy: 0.8098334373872129 Energy: 0.8040729826082549 Energy: 0.9336310258584457 Energy: 0.9336312912581443 Energy: 0.8425011993786018 Energy: 0.8183202063104738 Energy: 0.8183204309271537 Energy: 0.8163007494632312 Energy: 0.8768641677236763 Energy: 0.8768641264085624 Energy: 0.8421730041404145 Energy: 0.8526287535146382 Energy: 0.8526315039748694 Energy: 0.8098332552121581 Energy: 0.8793033379187372 Energy: 0.8793032579573533 Energy: 0.949055091057136 Energy: 0.8128215777526359 Energy: 0.8128221084485322 minimum gb energy = 0.8040729826082549 eV minimum distance = 2.60098435436289 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.8340460883264624 Energy: 0.8356617177504662 Energy: 0.8356616377832544 Energy: 0.834778453228762 Energy: 0.817765358355174 Energy: 0.8177654362381853 Energy: 0.8038445343999167 Energy: 0.8142435941082979 Energy: 0.8142442064556595 Energy: 0.8091863686494487 Energy: 0.9088369681439128 Energy: 0.9088369687133506 Energy: 0.8904013656350737 Energy: 0.8562461386580389 Energy: 0.8562459585500909 Energy: 0.7951270076397495 Energy: 0.9440784237794054 Energy: 0.9440781367037614 Energy: 0.9026311978975707 Energy: 0.8762158084352123 Energy: 0.8762158246904369 Energy: 0.7990321900781749 Energy: 0.8971761303325482 Energy: 0.8971760747940049 Energy: 0.8005827512835462 Energy: 0.8091864666680281 Energy: 0.8091866282131273 Energy: 0.8214320152376046 Energy: 0.825703159461028 Energy: 0.8257031594849263 minimum gb energy = 0.7951270076397495 eV minimum distance = 2.59555749994421 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.8055338412062668 Energy: 0.8055338489539993 Energy: 0.8055338526960524 Energy: 0.7731705612949383 Energy: 0.8320911228324824 Energy: 0.8320922341458584 Energy: 0.7771772886356199 Energy: 0.8055338587991518 Energy: 0.8055338444210295 Energy: 0.7731698599018207 Energy: 0.788894342580853 Energy: 0.788894423128177 Energy: 0.8055338415971294 Energy: 0.8073871392600643 Energy: 0.8073870420430129 Energy: 0.8148122860987713 Energy: 0.7758058638411608 Energy: 0.7758056949619564 Energy: 0.8299932264418891 Energy: 0.7758061168766637 Energy: 0.775805972083488 Energy: 0.8055338394980347 Energy: 0.8659232143058692 Energy: 0.8659225719451875 Energy: 0.7731714566174759 Energy: 0.871561193064798 Energy: 0.8715611355840703 Energy: 0.7771790712283072 Energy: 0.8055338450897529 Energy: 0.8055338494486528 minimum gb energy = 0.7731698599018207 eV minimum distance = 2.60678006832619 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.8468717013498298 Energy: 0.8206360914108258 Energy: 0.8206360540150947 Energy: 0.7795207831423662 Energy: 0.8617623176529067 Energy: 0.8617623826482146 Energy: 0.7871341288979065 Energy: 0.8899931381737163 Energy: 0.8899931381641497 Energy: 0.863859644773292 Energy: 0.8152757772754612 Energy: 0.8152758164884579 Energy: 0.9038342994145881 Energy: 0.7808718446841957 Energy: 0.7808718800979917 Energy: 0.8055615555166459 Energy: 0.8398951697069421 Energy: 0.8398951716127797 Energy: 0.8398951570576727 Energy: 0.7889914861507317 Energy: 0.7889913841193599 Energy: 0.7769352762755418 Energy: 0.9165707088989172 Energy: 0.9165706281945956 Energy: 0.7799973009266896 Energy: 0.9155788308241797 Energy: 0.9155787275181105 Energy: 0.780517439346516 Energy: 0.9406037674555682 Energy: 0.9406037702920799 minimum gb energy = 0.7769352762755418 eV minimum distance = 2.59998936252298 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.8014247582129568 Energy: 0.7909419975463822 Energy: 0.7909420937273431 Energy: 0.7768635248923363 Energy: 0.8708352536319157 Energy: 0.8708359196051276 Energy: 0.7864268000231497 Energy: 0.784927929829842 Energy: 0.7849279311779331 Energy: 0.7831874112864633 Energy: 0.775419011873947 Energy: 0.7754194195295023 Energy: 0.7770530034864062 Energy: 0.8660983592789453 Energy: 0.8660981217741542 Energy: 0.7805877038922538 Energy: 0.8098450901023471 Energy: 0.8098451203788097 Energy: 0.7770525286485993 Energy: 0.7952451639800592 Energy: 0.7952452031231628 Energy: 0.9043913681373676 Energy: 0.7962994223741565 Energy: 0.7962986005113032 Energy: 0.7844324131665873 Energy: 0.7864267032239666 Energy: 0.7864268033344016 Energy: 0.7768640229966071 Energy: 0.7721386884621385 Energy: 0.7721384410943996 minimum gb energy = 0.7721384410943996 eV minimum distance = 2.61570965884028 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.8321968775792697 Energy: 0.7995027537459348 Energy: 0.7995028237751949 Energy: 0.8141369115248671 Energy: 0.8218874445593206 Energy: 0.8218874756351982 Energy: 0.7735829935200391 Energy: 0.8333930334449193 Energy: 0.8333930320738632 Energy: 0.8435448318142967 Energy: 0.7665911809479666 Energy: 0.7665913245757603 Energy: 0.7635073322770743 Energy: 0.8246528658911105 Energy: 0.8246528307596982 Energy: 0.931024891158066 Energy: 0.8336018156935517 Energy: 0.8336018112131681 Energy: 0.7623837844592609 Energy: 0.7625658011585469 Energy: 0.7625658250912474 Energy: 0.831108320238598 Energy: 0.8560694287219677 Energy: 0.8560694141650786 Energy: 0.762384011347424 Energy: 0.8395435785261159 Energy: 0.8395435199541876 Energy: 0.851602306705054 Energy: 0.8545653545276111 Energy: 0.854565283083142 minimum gb energy = 0.7623837844592609 eV minimum distance = 2.56971665217075 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.8202106971012729 Energy: 0.7851983650128923 Energy: 0.785198362381477 Energy: 0.7651739784963556 Energy: 0.873135693639702 Energy: 0.8731362367646043 Energy: 0.764164916027198 Energy: 0.8014189859420422 Energy: 0.8014189065308766 Energy: 0.8187817125322471 Energy: 0.7782806348954964 Energy: 0.778280284306431 Energy: 0.7639407591716784 Energy: 0.7641905530558166 Energy: 0.7641905267055534 Energy: 0.7644092552062614 Energy: 0.8034849018473676 Energy: 0.8034847534304747 Energy: 0.7677708021602245 Energy: 0.8351801832181445 Energy: 0.8351802437484316 Energy: 0.7615110713993434 Energy: 0.8749879930990857 Energy: 0.874988129463179 Energy: 0.7739055398933865 Energy: 0.8121633938182836 Energy: 0.812163704898222 Energy: 0.8710795646163396 Energy: 0.7910373003592606 Energy: 0.791037418718627 minimum gb energy = 0.7615110713993434 eV minimum distance = 2.59460326071923 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.7164504395193192 Energy: 0.716450449241834 Energy: 0.7164504398049206 Energy: 0.7341693280677141 Energy: 0.7164504404898102 Energy: 0.7164504409730246 Energy: 0.7512604504414255 Energy: 0.7341694398447048 Energy: 0.734169329779938 Energy: 0.7292695758407406 Energy: 0.7341693280704222 Energy: 0.734169328058235 Energy: 0.7292695758136577 Energy: 0.7341693302915894 Energy: 0.7341693332734474 Energy: 1.0264195085015038 Energy: 0.7292695758190744 Energy: 0.729269575815012 Energy: 0.7292695758190744 Energy: 0.7678189931961269 Energy: 0.7678190533165024 Energy: 0.7164504433782939 Energy: 0.8523798807260916 Energy: 0.8523798807328623 Energy: 0.7164504395125485 Energy: 0.7341693280771929 Energy: 0.7341693360712187 Energy: 0.7292695757933456 Energy: 0.7341693349112243 Energy: 0.7341693427035747 minimum gb energy = 0.7164504395125485 eV minimum distance = 2.64322443753427 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.855631069918578 Energy: 0.7385072948439482 Energy: 0.7385073082815902 Energy: 0.7207983237942843 Energy: 0.7707826969373309 Energy: 0.770782715040913 Energy: 0.7275090933293572 Energy: 0.8493005665363301 Energy: 0.849300298024909 Energy: 0.7154036025064435 Energy: 0.9089363847580035 Energy: 0.9089362837008067 Energy: 0.7167990184693371 Energy: 0.7258486242000617 Energy: 0.7258487919444386 Energy: 0.7154040296751498 Energy: 0.8708321423876588 Energy: 0.8708321449550444 Energy: 0.7237118751395372 Energy: 0.7859322750128066 Energy: 0.7859322719197718 Energy: 0.7836091871711365 Energy: 0.7891956617617771 Energy: 0.789195663997688 Energy: 0.7675141533277461 Energy: 0.8500479325091422 Energy: 0.8500479116600854 Energy: 0.7704360265988366 Energy: 0.7843674926042651 Energy: 0.7843674924162947 minimum gb energy = 0.7154036025064435 eV minimum distance = 2.56737217559949 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.7397189850018301 Energy: 0.7308592254114351 Energy: 0.730858984145243 Energy: 0.7302787622115752 Energy: 0.7233253909460946 Energy: 0.7233261149857529 Energy: 0.713139233692759 Energy: 0.7144921048439216 Energy: 0.714492301406044 Energy: 0.7030235951334939 Energy: 0.803363896256282 Energy: 0.803364211128624 Energy: 0.883027447108096 Energy: 0.7074421285419813 Energy: 0.7074419746604952 Energy: 0.7131392360999961 Energy: 0.8366431569427881 Energy: 0.8366436424441338 Energy: 0.7060278586616008 Energy: 0.7898528007763851 Energy: 0.7898528096425074 Energy: 0.8120362224801551 Energy: 0.7134537069212482 Energy: 0.7134536854016184 Energy: 0.7150814988445433 Energy: 0.7656412430556947 Energy: 0.7656411672841897 Energy: 0.7060280000527005 Energy: 0.7416459321782849 Energy: 0.7416458661428876 minimum gb energy = 0.7030235951334939 eV minimum distance = 2.61888880357997 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.717690978467369 Energy: 0.6964741199542345 Energy: 0.6964740365184887 Energy: 0.6937927639041128 Energy: 0.8034638261124407 Energy: 0.8034638693223701 Energy: 0.6937926799055678 Energy: 0.7028599781110684 Energy: 0.702859987188738 Energy: 0.6964740356147334 Energy: 0.8069889581802797 Energy: 0.806988511188256 Energy: 0.8149227317186731 Energy: 0.8220905045468135 Energy: 0.8220902764160859 Energy: 0.6951621832120904 Energy: 0.7028599845047674 Energy: 0.7028599787725478 Energy: 0.7006271579882815 Energy: 0.7676181455249886 Energy: 0.7676181451176526 Energy: 0.9321781597473919 Energy: 0.8220906713854375 Energy: 0.8220905665673959 Energy: 0.6976578212128773 Energy: 0.6953877489274648 Energy: 0.6953879302043731 Energy: 0.7006271585975701 Energy: 0.9038012913757412 Energy: 0.9038012920854641 minimum gb energy = 0.6937926799055678 eV minimum distance = 2.64043463809441 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.8381754779855263 Energy: 0.7080220354212425 Energy: 0.7080219626240797 Energy: 0.6771454016488492 Energy: 0.6898579741548501 Energy: 0.6898579756636087 Energy: 0.6772183346455898 Energy: 0.8998532648692954 Energy: 0.8998532175677186 Energy: 0.6799916157489042 Energy: 0.6877970034161023 Energy: 0.6877970815505061 Energy: 0.6921311336070906 Energy: 0.7572082722875141 Energy: 0.7572081426004524 Energy: 0.8304225756701968 Energy: 0.7622962489223496 Energy: 0.7622962466338885 Energy: 0.6833819969957411 Energy: 0.8138817765884806 Energy: 0.813881920588288 Energy: 0.9892212883139725 Energy: 0.682714180755152 Energy: 0.682714284234769 Energy: 0.6838245572490281 Energy: 0.7817811634270799 Energy: 0.7817817336624893 Energy: 0.677866806473682 Energy: 0.7572578701037135 Energy: 0.7572578742601258 minimum gb energy = 0.6771454016488492 eV minimum distance = 2.63087628509835 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.8288994445907876 Energy: 0.6976674061391648 Energy: 0.6976674084888996 Energy: 0.681622691725672 Energy: 0.8219746300989343 Energy: 0.821974628689504 Energy: 0.816880357485734 Energy: 0.7387190352710554 Energy: 0.7387187053772172 Energy: 0.6807900076234558 Energy: 0.797346311170261 Energy: 0.79734636477959 Energy: 0.7763365922995826 Energy: 0.7040371964081609 Energy: 0.7040372176820525 Energy: 0.679255333805048 Energy: 0.7860792268847702 Energy: 0.7860798067489598 Energy: 0.6770548543117494 Energy: 0.8761912537255954 Energy: 0.8761911427095452 Energy: 0.8645899321030817 Energy: 0.7373556539309795 Energy: 0.7373557428013175 Energy: 0.6814331154534872 Energy: 0.7481364715956058 Energy: 0.7481366671863641 Energy: 0.8168801046256516 Energy: 0.7931179157090426 Energy: 0.7931181786922274 minimum gb energy = 0.6770548543117494 eV minimum distance = 2.56605716986564 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.6583034724296694 Energy: 0.6641401236207342 Energy: 0.6641400926212397 Energy: 0.6439496720401313 Energy: 0.6865301508870487 Energy: 0.6865286888182092 Energy: 0.6440872253782315 Energy: 0.6439496748589855 Energy: 0.6439496727311962 Energy: 0.6574139423055954 Energy: 0.6651310796020331 Energy: 0.6651310444816492 Energy: 0.6440872275968118 Energy: 0.6439496754211983 Energy: 0.6439496727555861 Energy: 0.6574139423339136 Energy: 0.6583030732410169 Energy: 0.6583023736218755 Energy: 0.6374028313203101 Energy: 0.7545426342943035 Energy: 0.7545437336769822 Energy: 0.6583029612817366 Energy: 0.6583021281686287 Energy: 0.6583021239901484 Energy: 0.637402781767014 Energy: 0.6873286346124393 Energy: 0.6873286251261707 Energy: 0.6440872268364608 Energy: 0.7219039028047473 Energy: 0.7219039070232414 minimum gb energy = 0.637402781767014 eV minimum distance = 2.6483878600216 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.7709901653013176 Energy: 0.6531112187114064 Energy: 0.653110978364603 Energy: 0.6321020232948896 Energy: 0.8274024932513303 Energy: 0.8274012591292569 Energy: 0.6893904526348676 Energy: 0.7004319301370968 Energy: 0.7004317583866032 Energy: 0.6274692389825222 Energy: 0.8208426194830433 Energy: 0.8208426169749442 Energy: 0.6375755853818262 Energy: 0.7091776721195824 Energy: 0.7091775144988294 Energy: 0.649565638422597 Energy: 0.6953040175044691 Energy: 0.6953043079337428 Energy: 0.6319863005144527 Energy: 0.7613424669546662 Energy: 0.7613428602241173 Energy: 0.8354704638719374 Energy: 0.694764134235529 Energy: 0.6947641238606841 Energy: 0.629848140422349 Energy: 0.8899456859063067 Energy: 0.8899459740985123 Energy: 0.6322755424532989 Energy: 0.8208184905653951 Energy: 0.8208184918529209 minimum gb energy = 0.6274692389825222 eV minimum distance = 2.59551488952988 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.8001707535960226 Energy: 0.6422557653295767 Energy: 0.6422558080215346 Energy: 0.6136603603891191 Energy: 0.7202148829984638 Energy: 0.7202149019977678 Energy: 0.6236677628542654 Energy: 0.7888321702193806 Energy: 0.788832043400211 Energy: 0.6253447806229508 Energy: 0.7923743983733457 Energy: 0.7923740026900307 Energy: 0.6253452366030154 Energy: 0.7373028244598604 Energy: 0.7373016484367303 Energy: 0.6169816270736461 Energy: 0.809084646543673 Energy: 0.809084709008803 Energy: 0.6640719249984486 Energy: 0.615162395049977 Energy: 0.6151623862163408 Energy: 0.8001693732044494 Energy: 0.7923740506184749 Energy: 0.7923743298319155 Energy: 0.6136603823965978 Energy: 0.642392086821562 Energy: 0.6423919320833995 Energy: 0.6136603751398169 Energy: 0.8942775709429109 Energy: 0.8942784457279539 minimum gb energy = 0.6136603603891191 eV minimum distance = 2.57724448071725 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.8403176766623509 Energy: 0.6302367002257798 Energy: 0.6302366815867491 Energy: 0.6134843118014427 Energy: 0.7276554154781525 Energy: 0.7276552448521 Energy: 0.6165373948218835 Energy: 0.6223003544193006 Energy: 0.6223007527509629 Energy: 0.6518403403327964 Energy: 0.6102179836744165 Energy: 0.610217982822773 Energy: 0.6143126479188186 Energy: 0.6270665534941272 Energy: 0.6270661648279028 Energy: 0.7752253989212884 Energy: 0.6673394482497687 Energy: 0.6673395134773515 Energy: 0.6126273587844693 Energy: 0.7406171736089261 Energy: 0.7406172167207525 Energy: 0.8426679522998944 Energy: 0.6673394323690437 Energy: 0.6673394407982748 Energy: 0.6126273585873762 Energy: 0.830908357095405 Energy: 0.8309079439561354 Energy: 0.7338241649514758 Energy: 0.6664485813695699 Energy: 0.6664485815773328 minimum gb energy = 0.610217982822773 eV minimum distance = 2.57296352385601 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.6167912181272376 Energy: 0.5888836248271515 Energy: 0.5888836310342859 Energy: 0.585677934346986 Energy: 0.890413038207395 Energy: 0.8904129576627481 Energy: 0.7575212359729512 Energy: 0.5888836200468445 Energy: 0.5888836319321055 Energy: 0.5888836440490997 Energy: 0.9200566363815218 Energy: 0.9200566168204304 Energy: 0.5888836195064336 Energy: 0.6699589608629228 Energy: 0.6699589665052461 Energy: 0.5804041558824539 Energy: 0.908759350819872 Energy: 0.9087593545750897 Energy: 0.5856779619535861 Energy: 0.5888836305609757 Energy: 0.5888836292919531 Energy: 0.6167943016505661 Energy: 0.8234760592803998 Energy: 0.8234759865937537 Energy: 0.5856779539042996 Energy: 0.6634482446840091 Energy: 0.6634482487013913 Energy: 0.5772443634793214 Energy: 0.734855714332349 Energy: 0.7348557145876855 minimum gb energy = 0.5772443634793214 eV minimum distance = 2.58241526797866 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.7234823601950096 Energy: 0.586294060554022 Energy: 0.5862940988138358 Energy: 0.5558115504925385 Energy: 0.7281294126619905 Energy: 0.728124919771507 Energy: 0.557889828259861 Energy: 0.7095135004657529 Energy: 0.7095100842263182 Energy: 0.7459216471849981 Energy: 0.6405673659959681 Energy: 0.6405666259101589 Energy: 0.6994462220358371 Energy: 0.7741736893899108 Energy: 0.774173620509954 Energy: 0.5685952249950187 Energy: 0.5765634647842471 Energy: 0.576562543630453 Energy: 0.5670125923543677 Energy: 0.6547393617267552 Energy: 0.6547390252325944 Energy: 0.8407842532398334 Energy: 0.7134306279653901 Energy: 0.7134311382257085 Energy: 0.6143826890926971 Energy: 0.5608494446241793 Energy: 0.56084940813478 Energy: 0.56139335368644 Energy: 0.834662653228376 Energy: 0.8346626529100823 minimum gb energy = 0.5558115504925385 eV minimum distance = 2.5725552017748 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.7858493412884321 Energy: 0.5494878876255531 Energy: 0.5494878877336442 Energy: 0.5947622417472911 Energy: 0.5406743590869445 Energy: 0.5406741501954965 Energy: 0.5349620128632032 Energy: 0.615667977867582 Energy: 0.6156669406043365 Energy: 0.5299733976159535 Energy: 0.5505239834954337 Energy: 0.5505243479775619 Energy: 0.5349620120065163 Energy: 0.6156673616720751 Energy: 0.6156682623614484 Energy: 0.534962009412132 Energy: 0.6674507896302214 Energy: 0.6674514962015858 Energy: 0.5332047197947656 Energy: 0.667451443262031 Energy: 0.667450834804724 Energy: 0.7858493589455776 Energy: 0.6674511911762439 Energy: 0.6674508273720717 Energy: 0.7874059622722218 Energy: 0.6674512822944458 Energy: 0.6674508135271533 Energy: 0.5349620113404093 Energy: 0.5644168540237418 Energy: 0.5644177673820461 minimum gb energy = 0.5299733976159535 eV minimum distance = 2.64722892742819 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.7592974738983123 Energy: 0.539714198241625 Energy: 0.5397133292399937 Energy: 0.6380347798050418 Energy: 0.643655551044918 Energy: 0.6436549003749502 Energy: 0.5151599533363194 Energy: 0.5413712941161056 Energy: 0.5413702492137346 Energy: 0.5271553673251407 Energy: 0.5377297844384569 Energy: 0.5377297255865109 Energy: 0.7683312893856991 Energy: 0.5769405077812709 Energy: 0.5769408038914587 Energy: 0.5201184036154171 Energy: 0.5319943237800379 Energy: 0.5319944360036617 Energy: 0.5110071697108944 Energy: 0.7690602757444731 Energy: 0.7690604739978055 Energy: 0.8683883743826725 Energy: 0.6452181918876531 Energy: 0.6452184777680936 Energy: 0.5191186601858183 Energy: 0.5976262520104697 Energy: 0.5976243684400364 Energy: 0.515309922726183 Energy: 0.7507161738420915 Energy: 0.7507189256014208 minimum gb energy = 0.5110071697108944 eV minimum distance = 2.57926623374378 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.7164173880543095 Energy: 0.5132228531660745 Energy: 0.5132229320620931 Energy: 0.5030379078709949 Energy: 0.521696724275336 Energy: 0.521696107668041 Energy: 0.4936145544197816 Energy: 0.7219838906746693 Energy: 0.7219838903226464 Energy: 0.4953070926971948 Energy: 0.7047012887175998 Energy: 0.7047013782892706 Energy: 0.49361456807304066 Energy: 0.7047014187408964 Energy: 0.7047013559940233 Energy: 0.49361455308371227 Energy: 0.5216959465100257 Energy: 0.5216951712538412 Energy: 0.5030378924793824 Energy: 0.5116398229010212 Energy: 0.511639623122361 Energy: 0.7164178547858934 Energy: 0.5216966138148245 Energy: 0.521697239634171 Energy: 0.630478496718292 Energy: 0.7097906206911783 Energy: 0.7097904411073751 Energy: 0.5354691519367432 Energy: 0.49254779058233655 Energy: 0.4925478182334634 minimum gb energy = 0.49254779058233655 eV minimum distance = 2.63264371503949 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.7845413826355337 Energy: 0.502998566980451 Energy: 0.5029987623640519 Energy: 0.4800416677310741 Energy: 0.5004093109483361 Energy: 0.5004100006770237 Energy: 0.48066988967308294 Energy: 0.4957207364014952 Energy: 0.4957269914950473 Energy: 0.5833028704103218 Energy: 0.5101383973308717 Energy: 0.5101383994084107 Energy: 0.5833034394416657 Energy: 0.5469594139576145 Energy: 0.546959404125463 Energy: 0.4785510686797498 Energy: 0.6471986818774096 Energy: 0.6471980416634135 Energy: 0.4767082467604431 Energy: 0.546979454554794 Energy: 0.5469794547121279 Energy: 0.8684228649704848 Energy: 0.6349679504514945 Energy: 0.6349686993450047 Energy: 0.596229274753802 Energy: 0.6932650079078194 Energy: 0.693265364822014 Energy: 0.47615569238612576 Energy: 0.5942335917103984 Energy: 0.5942334040518485 minimum gb energy = 0.47615569238612576 eV minimum distance = 2.58241352330807 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.6705624519969621 Energy: 0.4842381111305938 Energy: 0.4842373755818403 Energy: 0.48445659356537685 Energy: 0.48445693028939224 Energy: 0.484456188746674 Energy: 0.44844527633891823 Energy: 0.5928062580297379 Energy: 0.5928125188400816 Energy: 0.44969378783283365 Energy: 0.6466730051916594 Energy: 0.6466733300057846 Energy: 0.5183694642738732 Energy: 0.6466737325166032 Energy: 0.6466727100223815 Energy: 0.4484452878011984 Energy: 0.565031519586448 Energy: 0.565031493085977 Energy: 0.6322514676648087 Energy: 0.4995367517802469 Energy: 0.4995367697217853 Energy: 0.6705650320674745 Energy: 0.48445666346019123 Energy: 0.4844573300810013 Energy: 0.48445636216563015 Energy: 0.4615312917859153 Energy: 0.46153120802176906 Energy: 0.4628465239836002 Energy: 0.48445623139726246 Energy: 0.4844457429271972 minimum gb energy = 0.44844527633891823 eV minimum distance = 2.652500320874 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.6925891591193992 Energy: 0.4618728931697431 Energy: 0.4618741770587321 Energy: 0.743194093403455 Energy: 0.5178798719883319 Energy: 0.517879296681321 Energy: 0.4296959392063984 Energy: 0.467918294255807 Energy: 0.4679195332806089 Energy: 0.429695823367566 Energy: 0.4679187132903827 Energy: 0.4679202285692673 Energy: 0.4205837984909971 Energy: 0.6085777905763288 Energy: 0.6085769263772567 Energy: 0.4381867904679625 Energy: 0.44514118196288743 Energy: 0.4451411819803224 Energy: 0.6850856783189276 Energy: 0.5993950697444013 Energy: 0.59939617405832 Energy: 0.7591922598776573 Energy: 0.46791763506869477 Energy: 0.46791797680052205 Energy: 0.5914228544179756 Energy: 0.46791995684464704 Energy: 0.46791942836948724 Energy: 0.5182159720220171 Energy: 0.6047303674356065 Energy: 0.6047303685079863 minimum gb energy = 0.4205837984909971 eV minimum distance = 2.58698178754412 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.7096691776180909 Energy: 0.509254144408188 Energy: 0.5092559835805174 Energy: 0.6349138684993738 Energy: 0.4310485770786303 Energy: 0.43104857712471967 Energy: 0.40206698553041376 Energy: 0.4951226596861231 Energy: 0.49512264945083995 Energy: 0.41474320878365667 Energy: 0.4310485882726857 Energy: 0.43104864164265494 Energy: 0.40270377237773014 Energy: 0.45248240222212927 Energy: 0.4524817235287387 Energy: 0.48372565028783127 Energy: 0.5716429573781122 Energy: 0.571643000685114 Energy: 0.4310486580631586 Energy: 0.4310485652160638 Energy: 0.4310485653357577 Energy: 0.7096730898280416 Energy: 0.44139485201333706 Energy: 0.4414005266726615 Energy: 0.7534749208395827 Energy: 0.4802610214915955 Energy: 0.4802608911639345 Energy: 0.41474385494546917 Energy: 0.45248273036153946 Energy: 0.45248386623060655 minimum gb energy = 0.40206698553041376 eV minimum distance = 2.65577998512328 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.6690474410944806 Energy: 0.4158798731247457 Energy: 0.4158758333990455 Energy: 0.5201492891250223 Energy: 0.49481059512681114 Energy: 0.4948096523419088 Energy: 0.3892457526232912 Energy: 0.5491952958527249 Energy: 0.5491950806450873 Energy: 0.38924583500713766 Energy: 0.40961906423807043 Energy: 0.40961934898513774 Energy: 0.38924583358041487 Energy: 0.41814796373503493 Energy: 0.41814832364897353 Energy: 0.38924621713331614 Energy: 0.4277658376171005 Energy: 0.4277662138243422 Energy: 0.5201495591935794 Energy: 0.4181481920588789 Energy: 0.4181482633063751 Energy: 0.7228047329642374 Energy: 0.41814954347780425 Energy: 0.4181485699922209 Energy: 0.5201493953221377 Energy: 0.41814973808536743 Energy: 0.41814827911873975 Energy: 0.37970465271987075 Energy: 0.4181502747663397 Energy: 0.4181479477506336 minimum gb energy = 0.37970465271987075 eV minimum distance = 2.65106437132236 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.6660655472551819 Energy: 0.46639217922442205 Energy: 0.4663910590921685 Energy: 0.52863050508311 Energy: 0.40232148508720444 Energy: 0.40232145870575337 Energy: 0.5438195282109505 Energy: 0.4077106179043807 Energy: 0.40771098287982105 Energy: 0.36101814340983457 Energy: 0.40612670306013726 Energy: 0.4061282903194698 Energy: 0.37807583012851864 Energy: 0.4575508906766735 Energy: 0.45754254153610396 Energy: 0.3703785191313624 Energy: 0.3905843914435381 Energy: 0.39058477081621024 Energy: 0.7074238459128666 Energy: 0.3723876017021325 Energy: 0.3723867183065658 Energy: 0.7589620156583472 Energy: 0.4061272264675944 Energy: 0.4061281390320959 Energy: 0.5286320514657111 Energy: 0.3838935767211814 Energy: 0.3838938148057624 Energy: 0.3975592390412794 Energy: 0.40612834970301726 Energy: 0.40612836940779157 minimum gb energy = 0.36101814340983457 eV minimum distance = 2.651705361506 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.6968336753642801 Energy: 0.3802132540301502 Energy: 0.3802132564543365 Energy: 0.7348217625249585 Energy: 0.4634930911518598 Energy: 0.46349313761507105 Energy: 0.3579538110918285 Energy: 0.37396492069687454 Energy: 0.3739658790832974 Energy: 0.3414131221015174 Energy: 0.38035265818026476 Energy: 0.38035271925522846 Energy: 0.35795375343464986 Energy: 0.37396572990509513 Energy: 0.3739660902478225 Energy: 0.34969487723398035 Energy: 0.38035271102911183 Energy: 0.38035265533680207 Energy: 0.4678584441558044 Energy: 0.3874238533125826 Energy: 0.38741844558526434 Energy: 0.6939117579103931 Energy: 0.380352550650068 Energy: 0.38035271279894395 Energy: 0.5757743850997268 Energy: 0.387421345233767 Energy: 0.38743195607028025 Energy: 0.35344830111976605 Energy: 0.38035273346170384 Energy: 0.3803527193639112 minimum gb energy = 0.3414131221015174 eV minimum distance = 2.64858811474465 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.6629387828301136 Energy: 0.36534653074936835 Energy: 0.36534722978712375 Energy: 0.4510317870075973 Energy: 0.3647673489701886 Energy: 0.36476734691154833 Energy: 0.3962229853210169 Energy: 0.3590333953856473 Energy: 0.35903523989359937 Energy: 0.3277142035035243 Energy: 0.35903514289012584 Energy: 0.3590308926675089 Energy: 0.33446603139030306 Energy: 0.3708044739683722 Energy: 0.37080470055252923 Energy: 0.3408736550718375 Energy: 0.43234870993620517 Energy: 0.43234782793539556 Energy: 0.4510316040197772 Energy: 0.3590315755044322 Energy: 0.359035244738339 Energy: 0.7393788473263562 Energy: 0.35903544995273656 Energy: 0.35903449421464306 Energy: 0.6951388934795968 Energy: 0.4389618309631207 Energy: 0.4389619662726369 Energy: 0.43112757019044784 Energy: 0.3590349405275293 Energy: 0.3590226158088698 minimum gb energy = 0.3277142035035243 eV minimum distance = 2.64633750081002 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.6333477365057156 Energy: 0.3518731878713146 Energy: 0.3518737438239899 Energy: 0.43614166782472585 Energy: 0.3507640801954509 Energy: 0.3507617358685386 Energy: 0.32598568199684247 Energy: 0.35617535275678824 Energy: 0.35617159091352546 Energy: 0.32094970922307203 Energy: 0.36182439555545665 Energy: 0.3618196079203962 Energy: 0.31740928973502314 Energy: 0.35076784010500056 Energy: 0.3507624044550401 Energy: 0.5843782782216375 Energy: 0.42065589470492837 Energy: 0.4206577251524282 Energy: 0.6044230950752467 Energy: 0.38428375460496245 Energy: 0.3842838617016501 Energy: 0.7052451031557259 Energy: 0.3561717345177827 Energy: 0.3561714867091224 Energy: 0.5182191473557589 Energy: 0.36182872117904996 Energy: 0.3618287435274005 Energy: 0.33297855967726075 Energy: 0.4081073385092302 Energy: 0.4081140351203163 minimum gb energy = 0.31740928973502314 eV minimum distance = 2.6461791639744 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011682653645263935 Energy: 0.01168265364663705 Energy: 0.01168265364871634 Energy: 0.011682653647676695 Energy: 0.2901231840796063 Energy: 0.29012318408201904 Energy: 0.011682653646990138 Energy: 0.2901231840792532 Energy: 0.2901231840840983 Energy: 0.011682653645263935 Energy: 0.29012318408270565 Energy: 0.29012318408237214 Energy: 0.011682653644910848 Energy: 0.29012318408166604 Energy: 0.2901231840796063 Energy: 0.011682653649402899 Energy: 0.2901231840837453 Energy: 0.29012318408029286 Energy: 0.011682653646990138 Energy: 0.29012318408029286 Energy: 0.2901231840837453 Energy: 0.011682653644910848 Energy: 0.011682653643890819 Energy: 0.011682653643537731 Energy: 0.01168265364630358 Energy: 0.2901231840833922 Energy: 0.2901231840809794 Energy: 0.011682653644577377 Energy: 0.29012318408237214 Energy: 0.2901231840809794 minimum gb energy = 0.011682653643537731 eV minimum distance = 2.86242222941982 Angstroms sigma value = 1