model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000 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=4.049998886883259 cohesive_energy=3.360254209517774 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197903691 Energy: 0.010326183197903691 Energy: 0.010326183197903691 Energy: 0.010326183196932018 Energy: 0.010326183197903691 Energy: 0.010326183197903691 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183197431737 Energy: 0.704883256503658 Energy: 0.010326183197903691 Energy: 0.010326183198875363 Energy: 0.010326183196932018 Energy: 0.010326183197903691 Energy: 0.010326183197903691 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183196932018 Energy: 0.010326183198875363 Energy: 0.010326183197431737 Energy: 0.010326183197903691 Energy: 0.010326183197431737 Energy: 0.010326183197903691 Energy: 0.010326183197903691 minimum gb energy = 0.010326183196932018 eV minimum distance = 2.86368100710292 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.5160158477528082 Energy: 0.4532662374665899 Energy: 0.45326623740974087 Energy: 0.47204227481388106 Energy: 0.4531154598002817 Energy: 0.453115458796738 Energy: 0.4723121985399932 Energy: 0.5290062440557962 Energy: 0.5290057276547351 Energy: 0.48515890018949565 Energy: 0.4676349971591597 Energy: 0.4676349969684616 Energy: 0.47931263395555074 Energy: 0.4537154145874491 Energy: 0.45371541294358636 Energy: 0.4362405032235877 Energy: 0.4615124749013806 Energy: 0.46151298533185303 Energy: 0.47172333542710354 Energy: 0.45371541854249986 Energy: 0.45371541372327995 Energy: 0.4784343888539468 Energy: 0.5216240598618005 Energy: 0.521624065872987 Energy: 0.47932726136168263 Energy: 0.5758652922542005 Energy: 0.5758652679648618 Energy: 0.4723121864243984 Energy: 0.4613637487945213 Energy: 0.46136373751712373 minimum gb energy = 0.4362405032235877 eV minimum distance = 2.61423413283147 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.5329806466370455 Energy: 0.47266425116716226 Energy: 0.47266425118561267 Energy: 0.4460526281778361 Energy: 0.47465123316139896 Energy: 0.4746512120004659 Energy: 0.48290365145558434 Energy: 0.47320920428699903 Energy: 0.4732091875090463 Energy: 0.4819566290112371 Energy: 0.4751927168259222 Energy: 0.4751927167810461 Energy: 0.4627530357387436 Energy: 0.4726651918364744 Energy: 0.47266519174251315 Energy: 0.4990055902933109 Energy: 0.4751927167810461 Energy: 0.4751927166711029 Energy: 0.46136256905604184 Energy: 0.4732092021344669 Energy: 0.4732091914010483 Energy: 0.47443849229681917 Energy: 0.4751927168370621 Energy: 0.47519271683601777 Energy: 0.48416418517700743 Energy: 0.47320917974903115 Energy: 0.473209179349229 Energy: 0.46956448298896836 Energy: 0.484033515193885 Energy: 0.4840334434746817 minimum gb energy = 0.4460526281778361 eV minimum distance = 2.61139905828832 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.5515069081236419 Energy: 0.4857956187942285 Energy: 0.48579561334780424 Energy: 0.48780030724561263 Energy: 0.4855728354257204 Energy: 0.48557283630409676 Energy: 0.5235479220338922 Energy: 0.5030748933023831 Energy: 0.5030743179835834 Energy: 0.5022453601858611 Energy: 0.6314148391413474 Energy: 0.6314146945230403 Energy: 0.5103700463389048 Energy: 0.49298812037803114 Energy: 0.49298812054734936 Energy: 0.46665894715159106 Energy: 0.4952247933639615 Energy: 0.4952249882912323 Energy: 0.50089427736945 Energy: 0.5444731293340347 Energy: 0.5444730767232292 Energy: 0.5103969188387675 Energy: 0.6203449298285652 Energy: 0.6203449678145719 Energy: 0.5618502721472137 Energy: 0.5053415415897364 Energy: 0.5053418453200211 Energy: 0.49643958648178776 Energy: 0.49522467049615954 Energy: 0.4952246539272679 minimum gb energy = 0.46665894715159106 eV minimum distance = 2.61134492203544 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.5710855533340979 Energy: 0.5089526811279453 Energy: 0.5089526811036175 Energy: 0.5230573312999259 Energy: 0.5961100850961631 Energy: 0.5961097141347979 Energy: 0.5602621883115141 Energy: 0.5054122662077183 Energy: 0.5054123282666856 Energy: 0.525202353113368 Energy: 0.5089526810103271 Energy: 0.5089526810103271 Energy: 0.5324284228393716 Energy: 0.5826263088561648 Energy: 0.5826265293192081 Energy: 0.5333864213705478 Energy: 0.5131259975271647 Energy: 0.5131260026242127 Energy: 0.5324284391444988 Energy: 0.618533155402887 Energy: 0.615217182749153 Energy: 0.511025463981087 Energy: 0.508952681225699 Energy: 0.5089526810269454 Energy: 0.532358741515362 Energy: 0.5207953296918303 Energy: 0.5207953295770527 Energy: 0.527337844800871 Energy: 0.5442082811030735 Energy: 0.5442082780323506 minimum gb energy = 0.5054122662077183 eV minimum distance = 2.56768473816845 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.6009916822884436 Energy: 0.5419166371504194 Energy: 0.5419166371110687 Energy: 0.5647359636908303 Energy: 0.5845749167590926 Energy: 0.5845749458403341 Energy: 0.5308805859938391 Energy: 0.5308075017363578 Energy: 0.5308075018115405 Energy: 0.5389776320124419 Energy: 0.566009728882747 Energy: 0.5660096896518972 Energy: 0.5580059500245168 Energy: 0.5642903699779187 Energy: 0.5642903598238668 Energy: 0.5119263614084538 Energy: 0.5412752577496757 Energy: 0.5412751582772497 Energy: 0.5580057727536426 Energy: 0.5437285958595016 Energy: 0.5437285958603865 Energy: 0.5816230571442195 Energy: 0.572109865026036 Energy: 0.572109859429468 Energy: 0.5154064740028163 Energy: 0.5289329304154797 Energy: 0.5289329504724188 Energy: 0.5606393122165684 Energy: 0.5504181983376435 Energy: 0.5504179370540254 minimum gb energy = 0.5119263614084538 eV minimum distance = 2.54694863217827 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.6121605494416137 Energy: 0.5539323241053346 Energy: 0.5539323185331853 Energy: 0.5627462615458296 Energy: 0.5553471091922348 Energy: 0.5553471670870073 Energy: 0.5696076931784944 Energy: 0.5721488221155115 Energy: 0.5721485317096284 Energy: 0.5599248250199559 Energy: 0.557963767281556 Energy: 0.5579637670040535 Energy: 0.5727047044440865 Energy: 0.5665381390341717 Energy: 0.5665382644094751 Energy: 0.5727045266241934 Energy: 0.5740966712705493 Energy: 0.5740967243468955 Energy: 0.5605120725963603 Energy: 0.5728010552248713 Energy: 0.5728010553458878 Energy: 0.556893136358836 Energy: 0.5637367976108342 Energy: 0.5637367190102919 Energy: 0.5696076938851015 Energy: 0.609695997663814 Energy: 0.6096959956771638 Energy: 0.5727048683598606 Energy: 0.5553471090221577 Energy: 0.5553471090828869 minimum gb energy = 0.5539323185331853 eV minimum distance = 2.59317897046676 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.6245349523939594 Energy: 0.5873098005718829 Energy: 0.5873098005718829 Energy: 0.602482057314112 Energy: 0.5893401472246039 Energy: 0.5893401420366704 Energy: 0.5564491243142591 Energy: 0.5893401427582876 Energy: 0.589340146417193 Energy: 0.539105821147669 Energy: 0.589340143305718 Energy: 0.5893401418317273 Energy: 0.5786358590442982 Energy: 0.5897304041523485 Energy: 0.5897303940154182 Energy: 0.5477782124571653 Energy: 0.5897304105694497 Energy: 0.5897304099982777 Energy: 0.5996528130003692 Energy: 0.5893401503220498 Energy: 0.5893401426337423 Energy: 0.556449076565718 Energy: 0.5883332502055191 Energy: 0.5883332502076773 Energy: 0.5919856881119119 Energy: 0.5883332507491723 Energy: 0.5883332507502516 Energy: 0.6035823171810841 Energy: 0.5888407147797662 Energy: 0.5888407147797662 minimum gb energy = 0.539105821147669 eV minimum distance = 2.56140371073367 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.6468698328984297 Energy: 0.6197184038866388 Energy: 0.6197187096539944 Energy: 0.6168605175013435 Energy: 0.5999316360651319 Energy: 0.5999316892841058 Energy: 0.6168604059306293 Energy: 0.6037624217811371 Energy: 0.6037624139508198 Energy: 0.7022881589249217 Energy: 0.6179203388293314 Energy: 0.6179203612455934 Energy: 0.620554408078137 Energy: 0.6266075585387346 Energy: 0.6266075488486734 Energy: 0.6205544534177312 Energy: 0.6233740978808758 Energy: 0.6233739707501037 Energy: 0.6967473923223492 Energy: 0.6223964090492802 Energy: 0.6223965530915996 Energy: 0.6205542655744657 Energy: 0.6037624871738709 Energy: 0.6037628344747233 Energy: 0.6168603857448202 Energy: 0.5999318092969712 Energy: 0.5999316380187856 Energy: 0.6309093301108819 Energy: 0.613708345421629 Energy: 0.6137084076939823 minimum gb energy = 0.5999316360651319 eV minimum distance = 2.51069408055231 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.6722282979770589 Energy: 0.6382842740606887 Energy: 0.6382840961050116 Energy: 0.6790565816190869 Energy: 0.679612320645141 Energy: 0.6796123205357422 Energy: 0.6385078201446946 Energy: 0.6502393984341569 Energy: 0.6502391022659837 Energy: 0.6247522159853196 Energy: 0.6401134187860649 Energy: 0.6401133191815246 Energy: 0.6345565348492509 Energy: 0.7567237341792795 Energy: 0.7567237341715303 Energy: 0.6252550093079161 Energy: 0.6321071215002615 Energy: 0.632107296923735 Energy: 0.6272326744369549 Energy: 0.647564900805752 Energy: 0.6475648380872236 Energy: 0.6130643220577415 Energy: 0.7006257616305182 Energy: 0.7006255024326298 Energy: 0.571882637737815 Energy: 0.6683203557267106 Energy: 0.6683203557783427 Energy: 0.6439738643482246 Energy: 0.6581512828516586 Energy: 0.6581510371336519 minimum gb energy = 0.571882637737815 eV minimum distance = 2.50135110976923 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.6736234666580317 Energy: 0.6501080139200662 Energy: 0.6501081196579279 Energy: 0.6524191663189244 Energy: 0.6163191457556846 Energy: 0.6163194207981665 Energy: 0.6966300902890795 Energy: 0.6556420141827803 Energy: 0.6556439704991426 Energy: 0.6058894948973352 Energy: 0.6531496592263927 Energy: 0.6531495889937257 Energy: 0.6282502800551676 Energy: 0.6680299740274266 Energy: 0.6916789180034265 Energy: 0.5936789266449134 Energy: 0.649418000349006 Energy: 0.6494178531839357 Energy: 0.6084996921484986 Energy: 0.7740542499027062 Energy: 0.7740543431092451 Energy: 0.5817188191039186 Energy: 0.6531496454152397 Energy: 0.6531495907701979 Energy: 0.6058894880276751 Energy: 0.6571973021884439 Energy: 0.6571973015585327 Energy: 0.6524195060249732 Energy: 0.651450885279852 Energy: 0.6514508712407625 minimum gb energy = 0.5817188191039186 eV minimum distance = 2.51262712445175 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.6941969995191773 Energy: 0.6690220659309917 Energy: 0.6690220299173761 Energy: 0.5944205699696143 Energy: 0.6924398319314172 Energy: 0.6924395364007282 Energy: 0.6354165356143034 Energy: 0.6815751407945735 Energy: 0.6815751394147431 Energy: 0.6088584757094347 Energy: 0.6828604787855159 Energy: 0.6828610504591582 Energy: 0.651205182791088 Energy: 0.6814557994336888 Energy: 0.681455794352179 Energy: 0.6571537682597571 Energy: 0.6826498488931533 Energy: 0.6826498488935248 Energy: 0.6828562945201858 Energy: 0.6640698213838795 Energy: 0.66406959089549 Energy: 0.6482795672030713 Energy: 0.6732803779164167 Energy: 0.6732816964269275 Energy: 0.6391798505323206 Energy: 0.6891405615882732 Energy: 0.689140518137899 Energy: 0.6337350455829337 Energy: 0.698788565811691 Energy: 0.6987885380577409 minimum gb energy = 0.5944205699696143 eV minimum distance = 2.52504566294029 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.6520556445412232 Energy: 0.6954996757073081 Energy: 0.6954996745543184 Energy: 0.6338475574632925 Energy: 0.6622015386500566 Energy: 0.6622015385336367 Energy: 0.6960190292012973 Energy: 0.7029748058237744 Energy: 0.7029754327148573 Energy: 0.6991418507700321 Energy: 0.6958855931338693 Energy: 0.6958854232583147 Energy: 0.633847532523874 Energy: 0.6338475337443206 Energy: 0.633847588158002 Energy: 0.6338475478676232 Energy: 0.6619917707277422 Energy: 0.6619917707277422 Energy: 0.636359066439369 Energy: 0.6780629405679878 Energy: 0.6780628754530224 Energy: 0.6223397657047433 Energy: 0.6850567623564737 Energy: 0.6850567612010743 Energy: 0.6901200102405095 Energy: 0.6963764546106891 Energy: 0.6963763494630865 Energy: 0.6338475631680138 Energy: 0.6338860332637176 Energy: 0.6338859362191558 minimum gb energy = 0.6223397657047433 eV minimum distance = 2.49156400012152 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.6997764769686422 Energy: 0.7153778437651761 Energy: 0.7153774189728768 Energy: 0.6390820067361952 Energy: 0.7981573242207249 Energy: 0.798157324131174 Energy: 0.6575089326340008 Energy: 0.7142554666821535 Energy: 0.7142554666209894 Energy: 0.6914499982510086 Energy: 0.7404983175513943 Energy: 0.7404976191328064 Energy: 0.6510351880944482 Energy: 0.6730261765655334 Energy: 0.6730277495093373 Energy: 0.685502283450864 Energy: 0.7273052523173065 Energy: 0.7273017902059645 Energy: 0.6497488823041997 Energy: 0.6397793070226651 Energy: 0.6397793072380206 Energy: 0.7112347335595235 Energy: 0.7045893412505018 Energy: 0.7045889365752809 Energy: 0.6616227432492817 Energy: 0.6596940027307732 Energy: 0.6596940044781108 Energy: 0.7327176820862096 Energy: 0.709957162029681 Energy: 0.7099585065573154 minimum gb energy = 0.6390820067361952 eV minimum distance = 2.46783251065863 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.6657094050419494 Energy: 0.7091050252321243 Energy: 0.7091050219151942 Energy: 0.6201454743600577 Energy: 0.6898831954119204 Energy: 0.6898831946772713 Energy: 0.7347151175606181 Energy: 0.7049238754721626 Energy: 0.7049238755564449 Energy: 0.6603350887051962 Energy: 0.628533054730661 Energy: 0.6285330542459837 Energy: 0.6561937079326073 Energy: 0.637079787061058 Energy: 0.6370796205111335 Energy: 0.6371022874857324 Energy: 0.6991508608627927 Energy: 0.699150859270904 Energy: 0.620145471865892 Energy: 0.7086983700314646 Energy: 0.7086983702067368 Energy: 0.6201454681083423 Energy: 0.6371022919894085 Energy: 0.6371022875815137 Energy: 0.6515697510334113 Energy: 0.7018669769814255 Energy: 0.7018668470595529 Energy: 0.6515697493217852 Energy: 0.701866937657083 Energy: 0.7018669376599578 minimum gb energy = 0.6201454681083423 eV minimum distance = 2.51204242379974 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.6973032990871655 Energy: 0.7382242980129883 Energy: 0.7382242980116231 Energy: 0.7052740732555496 Energy: 0.6949721022189843 Energy: 0.6949708697906036 Energy: 0.7052739989092267 Energy: 0.6467520355174315 Energy: 0.6467533475786496 Energy: 0.6668852685970788 Energy: 0.7351790742133768 Energy: 0.7351790742096539 Energy: 0.659711767740085 Energy: 0.7144355685859145 Energy: 0.7144359494107856 Energy: 0.7052741947910309 Energy: 0.6844221367245075 Energy: 0.6844217962331904 Energy: 0.6498415391582053 Energy: 0.7263449257165437 Energy: 0.7263449402341846 Energy: 0.6827586504529107 Energy: 0.7338820525708402 Energy: 0.7338822545103793 Energy: 0.6597118010358631 Energy: 0.6990658018528101 Energy: 0.6990655776530866 Energy: 0.6364575007165243 Energy: 0.7136744195730337 Energy: 0.7136742695708741 minimum gb energy = 0.6364575007165243 eV minimum distance = 2.5033496361908 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6983476190777691 Energy: 0.7523106355947221 Energy: 0.7523102874660964 Energy: 0.6727597962283571 Energy: 0.7697315395877785 Energy: 0.7697316312315794 Energy: 0.6668118975235714 Energy: 0.727407433728373 Energy: 0.7274108209666234 Energy: 0.6587047215056532 Energy: 0.6752533328294534 Energy: 0.6752345405044956 Energy: 0.6506308952082253 Energy: 0.7098833326749286 Energy: 0.7098833359863533 Energy: 0.7675640803995039 Energy: 0.706806564151462 Energy: 0.706806630498621 Energy: 0.6724186105919691 Energy: 0.7188253091351952 Energy: 0.7188253090992051 Energy: 0.6474968927448324 Energy: 0.7165525111802604 Energy: 0.7165525108338016 Energy: 0.7408191677822551 Energy: 0.6686233171438267 Energy: 0.6686235382802256 Energy: 0.6418212279178858 Energy: 0.7235855807856834 Energy: 0.7235855846157121 minimum gb energy = 0.6418212279178858 eV minimum distance = 2.50064365432927 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.710024055802102 Energy: 0.7486980910542048 Energy: 0.7486980907346521 Energy: 0.6555993734178261 Energy: 0.7276969430987084 Energy: 0.727696929350287 Energy: 0.6975378960812829 Energy: 0.7209081719544358 Energy: 0.7209081940367622 Energy: 0.6478210008750848 Energy: 0.7125264659241384 Energy: 0.7125274365832186 Energy: 0.6378804436819772 Energy: 0.7187699982201582 Energy: 0.7187705060652586 Energy: 0.6905777001194343 Energy: 0.7736428005638544 Energy: 0.7738222579070911 Energy: 0.7097165600806107 Energy: 0.7308407966101992 Energy: 0.7308421116643656 Energy: 0.7169340101431566 Energy: 0.7399421646022336 Energy: 0.7399421273303027 Energy: 0.7074982728292117 Energy: 0.6876862082409729 Energy: 0.6876862233020973 Energy: 0.6375707830133696 Energy: 0.711715624851302 Energy: 0.7117152818736271 minimum gb energy = 0.6375707830133696 eV minimum distance = 2.49649863248862 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.6292976292928657 Energy: 0.7322841839589241 Energy: 0.7322841965505241 Energy: 0.8203185357791779 Energy: 0.6215505615070014 Energy: 0.6215505877207176 Energy: 0.8619957028817421 Energy: 0.6887404394800037 Energy: 0.6887404413041864 Energy: 0.6206712922212958 Energy: 0.6914136588706954 Energy: 0.6914136681941455 Energy: 0.7493133474311734 Energy: 0.7434488459840283 Energy: 0.7434492358504639 Energy: 0.6206710607884958 Energy: 0.7027267254777645 Energy: 0.7027262824423999 Energy: 0.7431123009976598 Energy: 0.7322844225510415 Energy: 0.7322845658060668 Energy: 0.6215504308743874 Energy: 0.7027280345367843 Energy: 0.7027262911131789 Energy: 0.6206714870425659 Energy: 0.7463938622603957 Energy: 0.7463940216771453 Energy: 0.6202515945951677 Energy: 0.6206710533188278 Energy: 0.6206710467115054 minimum gb energy = 0.6202515945951677 eV minimum distance = 2.61143767953739 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.7143536269236519 Energy: 0.7649805259769241 Energy: 0.7649805284861968 Energy: 0.641078447079353 Energy: 0.7098445090753287 Energy: 0.7098400413399402 Energy: 0.6873924229605763 Energy: 0.7171722444857109 Energy: 0.7171722440062431 Energy: 0.6900267775166217 Energy: 0.7625375422852508 Energy: 0.7625375428726182 Energy: 0.6856012657138905 Energy: 0.7635782661447251 Energy: 0.7635779852891147 Energy: 0.7222469468499595 Energy: 0.7323618000740046 Energy: 0.7323612403384815 Energy: 0.6877637013200469 Energy: 0.7526109171994603 Energy: 0.752610916942115 Energy: 0.6423515933831923 Energy: 0.7146815985913534 Energy: 0.7146816122262701 Energy: 0.7129650577771639 Energy: 0.7369406046767403 Energy: 0.7369406047185723 Energy: 0.6640087942452461 Energy: 0.7545192631174257 Energy: 0.7545192629223709 minimum gb energy = 0.641078447079353 eV minimum distance = 2.50808629082822 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.7080792926856703 Energy: 0.76021711657309 Energy: 0.7602160520385103 Energy: 0.664962615941707 Energy: 0.7700936177630636 Energy: 0.7700933886115299 Energy: 0.772124271078091 Energy: 0.781815315885814 Energy: 0.7818153160798654 Energy: 0.6649626735767722 Energy: 0.7530973125878037 Energy: 0.7530969842070445 Energy: 0.6933010267907547 Energy: 0.7555819784073171 Energy: 0.7555819760351072 Energy: 0.7790384297546131 Energy: 0.7766890355237432 Energy: 0.7773699028478647 Energy: 0.694070673234144 Energy: 0.7461633099566792 Energy: 0.746163190255685 Energy: 0.674275228683783 Energy: 0.7495732525356985 Energy: 0.7495715860788037 Energy: 0.6406382979417927 Energy: 0.7241487870381965 Energy: 0.7241490476109823 Energy: 0.761729131779124 Energy: 0.7542420310579443 Energy: 0.7542420310583728 minimum gb energy = 0.6406382979417927 eV minimum distance = 2.51105452591131 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.6946443501867944 Energy: 0.7596195672251695 Energy: 0.759619575513667 Energy: 0.6397434110179617 Energy: 0.6397420657281496 Energy: 0.639742543627842 Energy: 0.6666284654087482 Energy: 0.6989085766424332 Energy: 0.6989086367758568 Energy: 0.7324021694330028 Energy: 0.6788367316303542 Energy: 0.6788367362915032 Energy: 0.8300884533937846 Energy: 0.7131271058906286 Energy: 0.7131273389422244 Energy: 0.8146523898282316 Energy: 0.7764611005601961 Energy: 0.7764611933827692 Energy: 0.639743422251542 Energy: 0.7181397345990302 Energy: 0.7181397345990302 Energy: 0.6890351847789441 Energy: 0.7334694771220122 Energy: 0.7334694761666762 Energy: 0.6872611703911119 Energy: 0.7429091256659051 Energy: 0.7429091253512528 Energy: 0.6397433896597107 Energy: 0.748374846674713 Energy: 0.7483747932190625 minimum gb energy = 0.6397420657281496 eV minimum distance = 2.5259296340528 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.704597766469692 Energy: 0.7707366414767097 Energy: 0.7707366254172016 Energy: 0.814496940295826 Energy: 0.7629929661500091 Energy: 0.7629929430351879 Energy: 0.6868873943510746 Energy: 0.7219417494247372 Energy: 0.721943284445482 Energy: 0.6495997531148565 Energy: 0.7570891784912983 Energy: 0.7570878390100648 Energy: 0.9069897883740289 Energy: 0.7431540080890545 Energy: 0.7431540357433818 Energy: 0.6496001753815218 Energy: 0.773589354956356 Energy: 0.7735894523275517 Energy: 0.6909651076669643 Energy: 0.7318444515901699 Energy: 0.7318442816752238 Energy: 0.7282384397518341 Energy: 0.6963494793803219 Energy: 0.6963495271312591 Energy: 0.6956219901717686 Energy: 0.7688471776003989 Energy: 0.7688471797602237 Energy: 0.8238668896082529 Energy: 0.7371328178442769 Energy: 0.737132817855509 minimum gb energy = 0.6495997531148565 eV minimum distance = 2.52476654826366 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.7643331739472401 Energy: 0.749739418710588 Energy: 0.7497394187123843 Energy: 0.6653046761989284 Energy: 0.71812036872371 Energy: 0.718117175682806 Energy: 0.6919883695694765 Energy: 0.7118185523458759 Energy: 0.7118177380109914 Energy: 0.6938146999806211 Energy: 0.756266292114503 Energy: 0.7562660975401558 Energy: 0.8403236111819247 Energy: 0.7334959924577622 Energy: 0.7334955136314361 Energy: 0.6938146073046844 Energy: 0.7562664798308604 Energy: 0.7562664095892399 Energy: 0.6919883659923463 Energy: 0.7118177037939997 Energy: 0.7118192155290275 Energy: 0.6653031638725021 Energy: 0.7181209654079131 Energy: 0.7181169960004101 Energy: 0.7643367415403742 Energy: 0.7497394309532801 Energy: 0.7497394257771953 Energy: 0.6653088516471316 Energy: 0.7099292562187711 Energy: 0.7099290819031158 minimum gb energy = 0.6653031638725021 eV minimum distance = 2.49319160444499 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.6017249356934437 Energy: 0.7455534001039588 Energy: 0.7455534007078579 Energy: 0.7317546083213589 Energy: 0.6304014387221664 Energy: 0.6304013448494816 Energy: 0.6089984990771232 Energy: 0.630533554829917 Energy: 0.6305333022272182 Energy: 0.7453001668150162 Energy: 0.6304012848201141 Energy: 0.6304017564246395 Energy: 0.6017248964769805 Energy: 0.7455533787041868 Energy: 0.7455533786640135 Energy: 0.7760221290046546 Energy: 0.6304013106308393 Energy: 0.6304014958804058 Energy: 0.6089983458499757 Energy: 0.6305341175132554 Energy: 0.6305331041711069 Energy: 0.7453001852664388 Energy: 0.6923024862563782 Energy: 0.692302461230262 Energy: 0.6017249957490434 Energy: 0.745553455039743 Energy: 0.7455533788092203 Energy: 0.7760221290185606 Energy: 0.6495385892472159 Energy: 0.6495385891854459 minimum gb energy = 0.6017248964769805 eV minimum distance = 2.57440394278505 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.7411640824771096 Energy: 0.7644541469082529 Energy: 0.7644541432931139 Energy: 0.8445560464728379 Energy: 0.7419446814335402 Energy: 0.7419436296225694 Energy: 0.6882612761171053 Energy: 0.7442496425318571 Energy: 0.7442511488723076 Energy: 0.6880032585882694 Energy: 0.7481502950183058 Energy: 0.7481502950209353 Energy: 0.6897404727059586 Energy: 0.7740058156833268 Energy: 0.7740034943398331 Energy: 0.6958824798912598 Energy: 0.7413962556471846 Energy: 0.741396255471074 Energy: 0.8840798732562195 Energy: 0.7666024976548096 Energy: 0.7666019281913049 Energy: 0.737763281838092 Energy: 0.746713803344236 Energy: 0.7467138048038868 Energy: 0.8537769901187033 Energy: 0.6991919516469762 Energy: 0.6991915588986076 Energy: 0.6861640555573809 Energy: 0.7388162331187577 Energy: 0.738816233118429 minimum gb energy = 0.6861640555573809 eV minimum distance = 2.49851636188613 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.7657541474329732 Energy: 0.7602167510231662 Energy: 0.7602169442678662 Energy: 0.6671174550700822 Energy: 0.7223918100686089 Energy: 0.7223882095171671 Energy: 0.6573438164363665 Energy: 0.7170183864089757 Energy: 0.7170145162225882 Energy: 0.6423740347070191 Energy: 0.736985720342839 Energy: 0.7369877834656514 Energy: 0.7050506114016378 Energy: 0.7566786473291831 Energy: 0.7566808524799905 Energy: 0.808196233558283 Energy: 0.7314391341516594 Energy: 0.7314386900326554 Energy: 0.8941037004461735 Energy: 0.6647805855528033 Energy: 0.6647804686132275 Energy: 0.8726616566194979 Energy: 0.6757506530095391 Energy: 0.675750653010374 Energy: 0.8276612439017368 Energy: 0.7175818663943964 Energy: 0.7175835453352996 Energy: 0.777451935272183 Energy: 0.7239713335399064 Energy: 0.7239719091113503 minimum gb energy = 0.6423740347070191 eV minimum distance = 2.47639240643722 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.6885385815367154 Energy: 0.7605371419665735 Energy: 0.7605371436225745 Energy: 0.8347967578684639 Energy: 0.6524081042651932 Energy: 0.6524090915830283 Energy: 0.7546165017579611 Energy: 0.767052618479073 Energy: 0.7670575354306283 Energy: 0.652408739760181 Energy: 0.7580571020991375 Energy: 0.7580571374420443 Energy: 0.7441834466464571 Energy: 0.7670205399716072 Energy: 0.767021842793578 Energy: 0.6524095536228707 Energy: 0.725204711882444 Energy: 0.7252038762855018 Energy: 0.8776616142516415 Energy: 0.7874683340476873 Energy: 0.7874683355950836 Energy: 0.6524073555510366 Energy: 0.7103159074244394 Energy: 0.7103148426705056 Energy: 0.7999300826908345 Energy: 0.7169651385281055 Energy: 0.7169678160051249 Energy: 0.6680580555772915 Energy: 0.7169710773355373 Energy: 0.7169665819694512 minimum gb energy = 0.6524073555510366 eV minimum distance = 2.5000262791528 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.7783162383585264 Energy: 0.7640635353034309 Energy: 0.7640635366881466 Energy: 0.6944854539837879 Energy: 0.7546137275620737 Energy: 0.754612566342671 Energy: 0.6854737011358679 Energy: 0.7240322502010518 Energy: 0.7240295071925981 Energy: 0.6917513786731254 Energy: 0.7486097202926005 Energy: 0.7486097476406408 Energy: 0.711855998865106 Energy: 0.7557243300496557 Energy: 0.7557243300352728 Energy: 0.6577721923429467 Energy: 0.669837353457694 Energy: 0.6698329262507972 Energy: 0.6696966901656495 Energy: 0.7546863725341515 Energy: 0.7546866408642855 Energy: 0.6895022824351221 Energy: 0.7102734345390233 Energy: 0.7102738643861077 Energy: 0.6982927554375377 Energy: 0.6698349028390179 Energy: 0.6698347791292084 Energy: 0.6710198535783253 Energy: 0.748693928691612 Energy: 0.7486939287298175 minimum gb energy = 0.6577721923429467 eV minimum distance = 2.52521258648277 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.7584529105933128 Energy: 0.747210235240187 Energy: 0.7472102182742879 Energy: 0.6465899632005667 Energy: 0.7084313226931664 Energy: 0.7084313360612748 Energy: 0.6714758459751621 Energy: 0.7319632389587213 Energy: 0.7319632388272201 Energy: 0.6651889535534762 Energy: 0.6896102304545002 Energy: 0.6896103058056537 Energy: 0.8501088390716113 Energy: 0.7159191247000901 Energy: 0.7159209445913145 Energy: 0.7620436606828122 Energy: 0.6974904519322556 Energy: 0.6974904371484235 Energy: 0.8236353518346006 Energy: 0.7058878155499357 Energy: 0.7058881774411604 Energy: 0.7207235954991281 Energy: 0.738612103134476 Energy: 0.7386121049619422 Energy: 0.6964896088112436 Energy: 0.7115318800062409 Energy: 0.7115317190039628 Energy: 0.6505882817671468 Energy: 0.7854092536020132 Energy: 0.7854093013290661 minimum gb energy = 0.6465899632005667 eV minimum distance = 2.50850854410417 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.7251098086601498 Energy: 0.7430502960875842 Energy: 0.7430502960785637 Energy: 0.6907476017454925 Energy: 0.7702133848835163 Energy: 0.7702133998701085 Energy: 0.811695841839376 Energy: 0.6650242864914233 Energy: 0.6650241697991297 Energy: 0.6626090273864038 Energy: 0.7254914748591024 Energy: 0.7254927453519171 Energy: 0.687654834362176 Energy: 0.7648410953986916 Energy: 0.7648411742474874 Energy: 0.6650255168475427 Energy: 0.7742005185409357 Energy: 0.7741970883962751 Energy: 0.6699972376384905 Energy: 0.7362737298788813 Energy: 0.7362741887307953 Energy: 0.875356589327399 Energy: 0.6874925197319118 Energy: 0.6874924341308705 Energy: 0.6700432934409815 Energy: 0.7589186307423726 Energy: 0.758917460217679 Energy: 0.6650243195152228 Energy: 0.7512007877790703 Energy: 0.7511998565027214 minimum gb energy = 0.6626090273864038 eV minimum distance = 2.49623002016266 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.7305810425231009 Energy: 0.7466786909765615 Energy: 0.7466786896343192 Energy: 0.6758088284567879 Energy: 0.739538901638697 Energy: 0.7395389359235882 Energy: 0.7593661437729428 Energy: 0.7052508063723042 Energy: 0.7052507438031257 Energy: 0.713227461862624 Energy: 0.7429283113248438 Energy: 0.742928355148999 Energy: 0.6864421989278161 Energy: 0.705250813508008 Energy: 0.7052507651075839 Energy: 0.8868945895013417 Energy: 0.6751102749519613 Energy: 0.6751077108699858 Energy: 0.6741796577006138 Energy: 0.7514644315388841 Energy: 0.7514644315401673 Energy: 0.6831545588509542 Energy: 0.7593887902117764 Energy: 0.7593887905817928 Energy: 0.8235682591034484 Energy: 0.6685942715374069 Energy: 0.6685940875698996 Energy: 0.7123796911423794 Energy: 0.7181115430669223 Energy: 0.7181115470230462 minimum gb energy = 0.6685940875698996 eV minimum distance = 2.51741483973584 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.746160624001664 Energy: 0.7500997199190896 Energy: 0.7500997199185935 Energy: 0.7131110478824074 Energy: 0.7239133670234813 Energy: 0.7239132511547341 Energy: 0.7139790586386462 Energy: 0.6970251753562028 Energy: 0.6970251730894735 Energy: 0.7015144251338875 Energy: 0.7612740029067188 Energy: 0.7612741782713927 Energy: 0.7110177235325881 Energy: 0.7802031971511476 Energy: 0.7802002942354616 Energy: 0.7506359549309614 Energy: 0.6986102989555323 Energy: 0.6986102076219793 Energy: 0.6915569681688476 Energy: 0.7158675267598795 Energy: 0.7158676713376892 Energy: 0.6865721576260607 Energy: 0.8028396517930403 Energy: 0.8028366758644436 Energy: 0.6827178974979753 Energy: 0.7575993800468609 Energy: 0.7575993784704469 Energy: 0.7654934198133129 Energy: 0.730975140628465 Energy: 0.7309751497478796 minimum gb energy = 0.6827178974979753 eV minimum distance = 2.51388175385822 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.7094058084936299 Energy: 0.7404723799378224 Energy: 0.7404726144689409 Energy: 0.6700029887859279 Energy: 0.7471493217627794 Energy: 0.7471494849075477 Energy: 0.675044422624399 Energy: 0.7572107742317926 Energy: 0.7572105260516722 Energy: 0.7044541199423138 Energy: 0.7614605925253338 Energy: 0.7614605920831461 Energy: 0.738755958402329 Energy: 0.6845072998890056 Energy: 0.6845073247201544 Energy: 0.7338930941031294 Energy: 0.7033417405292581 Energy: 0.7033407505391577 Energy: 0.6982223429690926 Energy: 0.7295305633706062 Energy: 0.7295305848068881 Energy: 0.6986973090643395 Energy: 0.7142618810395623 Energy: 0.7142618683816734 Energy: 0.6801712809944424 Energy: 0.8123858729258576 Energy: 0.8123858891358432 Energy: 0.6974064899857403 Energy: 0.7217300670209513 Energy: 0.7217298286163842 minimum gb energy = 0.6700029887859279 eV minimum distance = 2.50417662678339 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.7271397649641382 Energy: 0.7474873810656224 Energy: 0.7474876787841402 Energy: 0.7467786663070118 Energy: 0.7198962456919522 Energy: 0.7198962165444261 Energy: 0.6952758192714498 Energy: 0.7389179077447688 Energy: 0.7389192969876043 Energy: 0.8104162012978611 Energy: 0.6980091277260704 Energy: 0.6982952386701181 Energy: 0.6742857759847175 Energy: 0.7416558960013603 Energy: 0.7416543799815444 Energy: 0.7020263189804485 Energy: 0.740156188113791 Energy: 0.740151420450731 Energy: 0.6886368530664948 Energy: 0.7851678935624498 Energy: 0.7851678936630909 Energy: 0.7087736894801333 Energy: 0.741922358510433 Energy: 0.7419445600968779 Energy: 0.6979196429866225 Energy: 0.7545545195210103 Energy: 0.754565328304215 Energy: 0.6822517001764702 Energy: 0.7524147657858915 Energy: 0.7524144081667477 minimum gb energy = 0.6742857759847175 eV minimum distance = 2.48770042545292 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.7222880773258359 Energy: 0.7380032064514853 Energy: 0.7380024789592482 Energy: 0.7012638786718288 Energy: 0.745124075483645 Energy: 0.7451242414253247 Energy: 0.6876944433383538 Energy: 0.7497970298581196 Energy: 0.7497970456970201 Energy: 0.6789186565684104 Energy: 0.757473814807527 Energy: 0.7574738224729601 Energy: 0.7085888569775752 Energy: 0.7318472671705246 Energy: 0.7318471865158397 Energy: 0.7279575866031853 Energy: 0.6988608930875788 Energy: 0.6988608271137169 Energy: 0.7633463489150908 Energy: 0.6988603922716539 Energy: 0.6988603922766718 Energy: 0.8425678359969812 Energy: 0.7183607408727846 Energy: 0.7183587223957543 Energy: 0.7803920502811709 Energy: 0.7183605194604434 Energy: 0.7183623174610725 Energy: 0.6835839932863651 Energy: 0.7207007219948931 Energy: 0.7207016498042207 minimum gb energy = 0.6789186565684104 eV minimum distance = 2.47922528477744 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.649423685259809 Energy: 0.7133663358021763 Energy: 0.7133663324300576 Energy: 0.6720020893111458 Energy: 0.6879925931531897 Energy: 0.6879924936430354 Energy: 0.6589939831577253 Energy: 0.6906331586217124 Energy: 0.6906331602701029 Energy: 0.649422935812674 Energy: 0.6854147642000249 Energy: 0.6854147642192441 Energy: 0.6494229357868992 Energy: 0.687992492999586 Energy: 0.6879924971195689 Energy: 0.6855068147196558 Energy: 0.6882496405784234 Energy: 0.6882502470814665 Energy: 0.6720020893240332 Energy: 0.7145716984819769 Energy: 0.7145716418051442 Energy: 0.6966463935436207 Energy: 0.6905929900019119 Energy: 0.6905929279179741 Energy: 0.7199355500117378 Energy: 0.6905929310917913 Energy: 0.690592929256199 Energy: 0.6720020893266653 Energy: 0.6932383227692346 Energy: 0.6932383231374804 minimum gb energy = 0.6494229357868992 eV minimum distance = 2.56170599361266 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.7123487464728829 Energy: 0.7689705420979709 Energy: 0.7689703362017021 Energy: 0.6892760286722137 Energy: 0.7644776559044447 Energy: 0.7644777104541889 Energy: 0.6607819944684499 Energy: 0.7268330492576567 Energy: 0.726833150373874 Energy: 0.6580834946269141 Energy: 0.7142515427712343 Energy: 0.7142515427703982 Energy: 0.7176763547898638 Energy: 0.6812488786160626 Energy: 0.6812488614259778 Energy: 0.7695838668644639 Energy: 0.6792265448536895 Energy: 0.6792266002408941 Energy: 0.6585325622604651 Energy: 0.713548614878662 Energy: 0.713548489667328 Energy: 0.6604734033144163 Energy: 0.7315052081670724 Energy: 0.7315066219822245 Energy: 0.6604745236706117 Energy: 0.7676959802040734 Energy: 0.7676964040904436 Energy: 0.6553734252492858 Energy: 0.7664116586697273 Energy: 0.7664116546447903 minimum gb energy = 0.6553734252492858 eV minimum distance = 2.5606095916489 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.7052331247028805 Energy: 0.7744238559839222 Energy: 0.7744237363403692 Energy: 0.6630593932778878 Energy: 0.7364873138628643 Energy: 0.7364877919426366 Energy: 0.6870798596777588 Energy: 0.6767783211583602 Energy: 0.6767783229449309 Energy: 0.6538883226475836 Energy: 0.7669716585942324 Energy: 0.7669732988154406 Energy: 0.6546255730997074 Energy: 0.7671313865066903 Energy: 0.7671309122057773 Energy: 0.6902393820358138 Energy: 0.6964952138322693 Energy: 0.6964956336237796 Energy: 0.6522222698657865 Energy: 0.725950158419053 Energy: 0.7254560608338969 Energy: 0.6636655717456513 Energy: 0.7505203564544468 Energy: 0.7505221052717123 Energy: 0.6615819135283537 Energy: 0.695760068924738 Energy: 0.6957577210170155 Energy: 0.6940367145367901 Energy: 0.6832969497220339 Energy: 0.6832976108687218 minimum gb energy = 0.6522222698657865 eV minimum distance = 2.52520484709664 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.6958296835568699 Energy: 0.7837812584156881 Energy: 0.7837811549621055 Energy: 0.6541278523445481 Energy: 0.7038213830030777 Energy: 0.7038197181829602 Energy: 0.6612229050416835 Energy: 0.6848669702246142 Energy: 0.6848671521432479 Energy: 0.6889117974978666 Energy: 0.7802339373065719 Energy: 0.7802323402656383 Energy: 0.6511719803350466 Energy: 0.7295457377564328 Energy: 0.7295459365650827 Energy: 0.7128543696464216 Energy: 0.686049221047362 Energy: 0.6860500060735765 Energy: 0.6612214792060426 Energy: 0.7419623901792801 Energy: 0.7419631829902379 Energy: 0.6499728485122195 Energy: 0.7753636216488542 Energy: 0.7753637856764926 Energy: 0.7488835841628089 Energy: 0.6889111564983902 Energy: 0.6889110280921519 Energy: 0.6481147724093347 Energy: 0.7517214685958805 Energy: 0.7517214695488952 minimum gb energy = 0.6481147724093347 eV minimum distance = 2.52877644210358 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.6826221037166288 Energy: 0.7752606596664255 Energy: 0.7752608998919229 Energy: 0.6422988230143214 Energy: 0.7936467830491178 Energy: 0.7936467252701824 Energy: 0.6540771935019258 Energy: 0.7486365310255294 Energy: 0.7486365905098326 Energy: 0.6422996488694424 Energy: 0.6905747353972544 Energy: 0.6905750900938292 Energy: 0.7370751750709474 Energy: 0.6977659636972459 Energy: 0.6977419794809395 Energy: 0.8832000058796944 Energy: 0.6444428595324045 Energy: 0.644442867545962 Energy: 0.6996791220639998 Energy: 0.6575455529797676 Energy: 0.6575450936932832 Energy: 0.6406185593658058 Energy: 0.6855033795648586 Energy: 0.6858417835970415 Energy: 0.6422990403698977 Energy: 0.7231217240302739 Energy: 0.7231216967539218 Energy: 0.6489218016575744 Energy: 0.7265745157324763 Energy: 0.7265742581444977 minimum gb energy = 0.6406185593658058 eV minimum distance = 2.52278176402268 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.6644795704504265 Energy: 0.764937398099554 Energy: 0.7649373942140916 Energy: 0.7417252543344166 Energy: 0.6552542954700419 Energy: 0.6552530105425277 Energy: 0.6350237698929686 Energy: 0.7994167457633539 Energy: 0.7994167466235576 Energy: 0.8448396656700268 Energy: 0.6321757533646639 Energy: 0.6321757533652699 Energy: 0.6460699458921115 Energy: 0.7386607368628424 Energy: 0.7386607362752504 Energy: 0.824824059644259 Energy: 0.6862895473907545 Energy: 0.6862895510926665 Energy: 0.6373294706174728 Energy: 0.7395584626171303 Energy: 0.7395586128935444 Energy: 0.674323442405906 Energy: 0.6955294370539814 Energy: 0.6955247099417826 Energy: 0.6373297640723663 Energy: 0.7643670451432547 Energy: 0.7643671046532643 Energy: 0.7631144891382949 Energy: 0.6537945738873172 Energy: 0.6537945742641144 minimum gb energy = 0.6321757533646639 eV minimum distance = 2.547649243498 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.7048059750486938 Energy: 0.7905105340327522 Energy: 0.7905105282953897 Energy: 0.6622505063400601 Energy: 0.6808031412944217 Energy: 0.6808033727393776 Energy: 0.6314967904996744 Energy: 0.7240037323603952 Energy: 0.7240036905946735 Energy: 0.666882059101383 Energy: 0.7519910219359363 Energy: 0.7519909931633069 Energy: 0.7237973440993323 Energy: 0.6392347485504991 Energy: 0.6392364994069025 Energy: 0.6346058860419829 Energy: 0.7911131420056375 Energy: 0.7911130967028883 Energy: 0.7392479963965627 Energy: 0.653466151702701 Energy: 0.6534661453501005 Energy: 0.6287638824893458 Energy: 0.7748189267514018 Energy: 0.7748189081861553 Energy: 0.6320368944908484 Energy: 0.7630514079396536 Energy: 0.7630514068466645 Energy: 0.6799481171993174 Energy: 0.6675664448148346 Energy: 0.6675666205844182 minimum gb energy = 0.6287638824893458 eV minimum distance = 2.50895278010303 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.751839338554732 Energy: 0.7840028424052069 Energy: 0.7840028420609564 Energy: 0.6260267787366057 Energy: 0.7814384155501055 Energy: 0.7814385328874144 Energy: 0.6114159558045167 Energy: 0.7854509805420876 Energy: 0.7854510032475172 Energy: 0.6260267731816911 Energy: 0.7165798109150113 Energy: 0.7165798874766922 Energy: 0.6801014193713788 Energy: 0.6530027917970044 Energy: 0.653001405305671 Energy: 0.7761613730065593 Energy: 0.6313483127946751 Energy: 0.6313488550737638 Energy: 0.6709333294511562 Energy: 0.6385389318957799 Energy: 0.6385377567546656 Energy: 0.7265643021552929 Energy: 0.6960277650129979 Energy: 0.6960277609934031 Energy: 0.6262003789956674 Energy: 0.7565200840342463 Energy: 0.7565181623507067 Energy: 0.6149221926826332 Energy: 0.8007874892532897 Energy: 0.8007874892599934 minimum gb energy = 0.6114159558045167 eV minimum distance = 2.48184114521167 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.705116782744747 Energy: 0.7450379879596949 Energy: 0.7450379879376079 Energy: 0.6207226856835691 Energy: 0.7360980915413959 Energy: 0.736098092632153 Energy: 0.6346999198936493 Energy: 0.7133347457230292 Energy: 0.7133375378977855 Energy: 0.7078454137305972 Energy: 0.7221837365952439 Energy: 0.7221792412050554 Energy: 0.7272840478314571 Energy: 0.6268646912409708 Energy: 0.6268647235353317 Energy: 0.6629637687016791 Energy: 0.6977039579909365 Energy: 0.6977038943972906 Energy: 0.6994037213839367 Energy: 0.6780488300390239 Energy: 0.6780499795337825 Energy: 0.6257409708794175 Energy: 0.7101724638770615 Energy: 0.7101724638805825 Energy: 0.6227822123319956 Energy: 0.809296777916683 Energy: 0.809296547309535 Energy: 0.6225667660486198 Energy: 0.8261016757138656 Energy: 0.8261018031171671 minimum gb energy = 0.6207226856835691 eV minimum distance = 2.51699229274619 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.664843759108786 Energy: 0.7869182382948214 Energy: 0.7869181116130792 Energy: 0.62700079159173 Energy: 0.6900345626777459 Energy: 0.6900345582027541 Energy: 0.6592314741927644 Energy: 0.639892646765124 Energy: 0.63989267086709 Energy: 0.6520843863862338 Energy: 0.6855375780359618 Energy: 0.6855375863983324 Energy: 0.6267074773567513 Energy: 0.6812328686152765 Energy: 0.6812328685288297 Energy: 0.6218494928551851 Energy: 0.736291450163828 Energy: 0.7362914531788751 Energy: 0.6273632857620584 Energy: 0.6627418746300231 Energy: 0.6627415232481539 Energy: 0.7190928175201239 Energy: 0.644691179346143 Energy: 0.6446911024172669 Energy: 0.6304923506879181 Energy: 0.6454655817511816 Energy: 0.6454659905250248 Energy: 0.6284903439760459 Energy: 0.7952895037800768 Energy: 0.7952895104221263 minimum gb energy = 0.6218494928551851 eV minimum distance = 2.46316208936684 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.6852736033601193 Energy: 0.7701142787003012 Energy: 0.7701142860447245 Energy: 0.6664418671988004 Energy: 0.6729207648199156 Energy: 0.6729209931835418 Energy: 0.6222872696131571 Energy: 0.8297090005717367 Energy: 0.8297094845696762 Energy: 0.6955067906641319 Energy: 0.6168507102949277 Energy: 0.616850751913644 Energy: 0.6135884287936698 Energy: 0.7965457667822676 Energy: 0.7965457333185896 Energy: 0.7680640315007711 Energy: 0.6523685050634835 Energy: 0.6523685011603416 Energy: 0.6126166194483378 Energy: 0.7741497261046598 Energy: 0.7741512071899657 Energy: 0.7774467975486603 Energy: 0.6645834591602126 Energy: 0.6645834598441966 Energy: 0.6144160388399669 Energy: 0.7544304944923627 Energy: 0.7544304451449014 Energy: 0.750268448110985 Energy: 0.6698700018093589 Energy: 0.6698700001739564 minimum gb energy = 0.6126166194483378 eV minimum distance = 2.50951385887293 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.673392348543066 Energy: 0.8181894350176371 Energy: 0.8181894352066216 Energy: 0.6209141207911593 Energy: 0.752427527558451 Energy: 0.7524271810042213 Energy: 0.6247274556128287 Energy: 0.6808832029678841 Energy: 0.6808832029693519 Energy: 0.7333625825086288 Energy: 0.6310348816806634 Energy: 0.6310352923838843 Energy: 0.6264648674118987 Energy: 0.6779232465133738 Energy: 0.6779232430345468 Energy: 0.6158787034785657 Energy: 0.755376579686571 Energy: 0.7553765796859838 Energy: 0.619403302521634 Energy: 0.7171307760751595 Energy: 0.7171307993643806 Energy: 0.6138808818124919 Energy: 0.7276130515037988 Energy: 0.727612995786173 Energy: 0.6338590633618896 Energy: 0.6639881575744732 Energy: 0.6639941632809168 Energy: 0.7020905679689121 Energy: 0.6608936111122995 Energy: 0.6608936411572993 minimum gb energy = 0.6138808818124919 eV minimum distance = 2.48764754298538 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.5807037754362091 Energy: 0.7344165006170091 Energy: 0.7344165013769188 Energy: 0.617723443376533 Energy: 0.7035583075222729 Energy: 0.7035583063884912 Energy: 0.6079775939597042 Energy: 0.5950660932107038 Energy: 0.5950660932134141 Energy: 0.5899094574375253 Energy: 0.7280367187204749 Energy: 0.7280367413498474 Energy: 0.5899094577571905 Energy: 0.5950660906763268 Energy: 0.5950660915432484 Energy: 0.6532675035390794 Energy: 0.5899094576014388 Energy: 0.5899094809771692 Energy: 0.5899094639340091 Energy: 0.6694278692635721 Energy: 0.6694279305048129 Energy: 0.5807037777118726 Energy: 0.666689661610696 Energy: 0.6666896618666991 Energy: 0.736787694816699 Energy: 0.595066090085736 Energy: 0.5950660902008634 Energy: 0.5899094733143798 Energy: 0.7539259801608841 Energy: 0.7539259801622393 minimum gb energy = 0.5807037754362091 eV minimum distance = 2.54040781922451 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.6775712640425678 Energy: 0.836474169649759 Energy: 0.8364740972250192 Energy: 0.5874644030596161 Energy: 0.8056289616736159 Energy: 0.8056289610913556 Energy: 0.5889072796927951 Energy: 0.7330177153447488 Energy: 0.7330177097853795 Energy: 0.585619767173177 Energy: 0.7082966380942645 Energy: 0.7082966380992088 Energy: 0.584600231518555 Energy: 0.6662722701549293 Energy: 0.6662735161718442 Energy: 0.586861890486845 Energy: 0.7302264093892652 Energy: 0.7302264103993291 Energy: 0.5963835905507175 Energy: 0.6328685111159608 Energy: 0.6328684913736683 Energy: 0.7334304035376599 Energy: 0.6314498405615548 Energy: 0.6314498500567857 Energy: 0.6874765306989951 Energy: 0.6603279467694261 Energy: 0.6603279467215554 Energy: 0.6965766368514515 Energy: 0.6218557915288183 Energy: 0.621854154095113 minimum gb energy = 0.584600231518555 eV minimum distance = 2.39638288629308 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.6267210558817314 Energy: 0.760974802153012 Energy: 0.7609748314898105 Energy: 0.5949889801006913 Energy: 0.6100103504050531 Energy: 0.6100119206946115 Energy: 0.6113227456855351 Energy: 0.668796875872659 Energy: 0.668796875830647 Energy: 0.5718232103672792 Energy: 0.747924024970079 Energy: 0.7479230835671035 Energy: 0.6869951453760953 Energy: 0.5768813292585458 Energy: 0.5768813266654336 Energy: 0.6051926106822659 Energy: 0.7538966443984139 Energy: 0.7538966644070568 Energy: 0.5776425915454956 Energy: 0.7108896321398791 Energy: 0.7108897263587585 Energy: 0.7518379543212921 Energy: 0.5778864976971619 Energy: 0.5778864995868794 Energy: 0.5814543888466107 Energy: 0.7843668516506636 Energy: 0.7843668474443046 Energy: 0.5782532635668077 Energy: 0.6689359044856046 Energy: 0.6689355481828982 minimum gb energy = 0.5718232103672792 eV minimum distance = 2.48761995267282 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.5806180794806005 Energy: 0.7914779189418726 Energy: 0.7915636678506159 Energy: 0.5700288909635676 Energy: 0.624436249480727 Energy: 0.624436249479591 Energy: 0.6592417482580692 Energy: 0.5693125579580566 Energy: 0.5693138539184532 Energy: 0.5671666361391116 Energy: 0.7718214638619049 Energy: 0.7718211459706952 Energy: 0.6341974608939543 Energy: 0.6525355940227295 Energy: 0.6525356827078048 Energy: 0.564530908669189 Energy: 0.5693124894848044 Energy: 0.5693123463435861 Energy: 0.570288566279572 Energy: 0.7491733388696045 Energy: 0.7491733263785826 Energy: 0.7147232037621507 Energy: 0.6529806236223564 Energy: 0.6529805642455758 Energy: 0.5646528217216072 Energy: 0.5647454720026106 Energy: 0.5647452017977042 Energy: 0.5702873451767503 Energy: 0.7801297170469907 Energy: 0.7801297095390864 minimum gb energy = 0.564530908669189 eV minimum distance = 2.4846828894012 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.6605379675222333 Energy: 0.799347778915707 Energy: 0.7993477250235189 Energy: 0.5478223593752476 Energy: 0.5575599758789129 Energy: 0.5575594152969006 Energy: 0.5493860573739913 Energy: 0.7266998463793417 Energy: 0.726699754220834 Energy: 0.5514411159853195 Energy: 0.7414181176540313 Energy: 0.7414181218685095 Energy: 0.5628382486991684 Energy: 0.5973712942958237 Energy: 0.597371227760952 Energy: 0.6573027609720307 Energy: 0.6469434258602222 Energy: 0.6469442659774268 Energy: 0.5540322752908428 Energy: 0.7859882904921781 Energy: 0.7859884953008984 Energy: 0.714905216660283 Energy: 0.5526423851051889 Energy: 0.5526424275906244 Energy: 0.5583576543278134 Energy: 0.728493370968468 Energy: 0.728492829555686 Energy: 0.5499046103013348 Energy: 0.7149676474972578 Energy: 0.7149671514184809 minimum gb energy = 0.5478223593752476 eV minimum distance = 2.50121635653291 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.6356009808651604 Energy: 0.8312039764505842 Energy: 0.8312037747738478 Energy: 0.551843934417651 Energy: 0.619828029780067 Energy: 0.6198279371512714 Energy: 0.6288424446626124 Energy: 0.6602368357217284 Energy: 0.6602378195047036 Energy: 0.5538473590228558 Energy: 0.7328185438003927 Energy: 0.7328183891248178 Energy: 0.7636436680999172 Energy: 0.5818479470139064 Energy: 0.5818472645870217 Energy: 0.5503853243086649 Energy: 0.7557449742472072 Energy: 0.7557451104583179 Energy: 0.5525466564588155 Energy: 0.7070317778786671 Energy: 0.7070312267763845 Energy: 0.7491127277931516 Energy: 0.5859192274491776 Energy: 0.5859192274612609 Energy: 0.5528433097762366 Energy: 0.7990902887903917 Energy: 0.7990902372443002 Energy: 0.6288436697632518 Energy: 0.6526303335149459 Energy: 0.6526287334817614 minimum gb energy = 0.5503853243086649 eV minimum distance = 2.47031302365629 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.6059010033508063 Energy: 0.7625959601508124 Energy: 0.7625959675968859 Energy: 0.5309358386721371 Energy: 0.7666790632952024 Energy: 0.7666791068375954 Energy: 0.5245590202996079 Energy: 0.7494971298238021 Energy: 0.7494971298902312 Energy: 0.5295046028671174 Energy: 0.7821891855166994 Energy: 0.7821892076615176 Energy: 0.5240111646497193 Energy: 0.7446536833274902 Energy: 0.7446536809656051 Energy: 0.5245590884170876 Energy: 0.6875445434542986 Energy: 0.6875444375145207 Energy: 0.5850195341868745 Energy: 0.7536621076261398 Energy: 0.7536622541808793 Energy: 0.605901003322467 Energy: 0.6748196143834726 Energy: 0.6748196143834726 Energy: 0.585019533989564 Energy: 0.7682950962899583 Energy: 0.7682954170856069 Energy: 0.5245590198102404 Energy: 0.599982471448639 Energy: 0.5999825673167412 minimum gb energy = 0.5240111646497193 eV minimum distance = 2.46063880444818 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.6061150906628994 Energy: 0.7547535613762263 Energy: 0.7547537216848417 Energy: 0.5102759026326147 Energy: 0.717647799599188 Energy: 0.7176478043207706 Energy: 0.6580869108083639 Energy: 0.5514657605602744 Energy: 0.5514656742806355 Energy: 0.5062985909271746 Energy: 0.6448618949920483 Energy: 0.6448621248912366 Energy: 0.5144153589108706 Energy: 0.6995482766517056 Energy: 0.6995482766421725 Energy: 0.5229400531123145 Energy: 0.7322528423816823 Energy: 0.7322528280575784 Energy: 0.5153130914443154 Energy: 0.5870103495014135 Energy: 0.5870103494900929 Energy: 0.737385398752853 Energy: 0.547024071060421 Energy: 0.5470238903607207 Energy: 0.5097837381065173 Energy: 0.7336816268282262 Energy: 0.7336849854512555 Energy: 0.5105367566399316 Energy: 0.7433496241007774 Energy: 0.7433491367804094 minimum gb energy = 0.5062985909271746 eV minimum distance = 2.48621364310294 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.6229382907316411 Energy: 0.7383914465293079 Energy: 0.7383907345803183 Energy: 0.49436589931899666 Energy: 0.6265820352849357 Energy: 0.6265822508735852 Energy: 0.6190932256572155 Energy: 0.5955190201949802 Energy: 0.5955190867333221 Energy: 0.5027858126063105 Energy: 0.6659294202299252 Energy: 0.6659295673372461 Energy: 0.5027857540331685 Energy: 0.7438236812868891 Energy: 0.7438236785848388 Energy: 0.4969263128081318 Energy: 0.6878673936329929 Energy: 0.6878671018475376 Energy: 0.6986058995057807 Energy: 0.4944135858507295 Energy: 0.4944135702561893 Energy: 0.6230479698331955 Energy: 0.6659294983119036 Energy: 0.6659295012007005 Energy: 0.49436595565614655 Energy: 0.7237824996865777 Energy: 0.7237867438264 Energy: 0.4969258802421253 Energy: 0.7365379246111476 Energy: 0.7365382374988726 minimum gb energy = 0.49436589931899666 eV minimum distance = 2.47638136550485 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.64889158540804 Energy: 0.7386904100297325 Energy: 0.738690390379504 Energy: 0.5643182732053736 Energy: 0.5609056215736318 Energy: 0.560905641560663 Energy: 0.4960976793400338 Energy: 0.7491539650902234 Energy: 0.7491538620785346 Energy: 0.7018428449930754 Energy: 0.4917839936775595 Energy: 0.4917841535968124 Energy: 0.49463034149156954 Energy: 0.7228701737881449 Energy: 0.7228702938286876 Energy: 0.6899191794301288 Energy: 0.5249975191427434 Energy: 0.5249982509154872 Energy: 0.4936253880846262 Energy: 0.7224299768185147 Energy: 0.722430576285502 Energy: 0.704425396122979 Energy: 0.5249983399384796 Energy: 0.5249985709825201 Energy: 0.4936254733421621 Energy: 0.7176515846002274 Energy: 0.7176513702048778 Energy: 0.5649608881570588 Energy: 0.5243072484883645 Energy: 0.5243079687052764 minimum gb energy = 0.4917839936775595 eV minimum distance = 2.39925934148696 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.548422768824519 Energy: 0.7007329637219307 Energy: 0.7007329075381259 Energy: 0.5240507840839987 Energy: 0.6322866509782479 Energy: 0.6322868893636205 Energy: 0.5301007460026265 Energy: 0.4786883763233785 Energy: 0.47868837614030774 Energy: 0.47244534809635425 Energy: 0.7033614151297236 Energy: 0.7033620293350115 Energy: 0.47244534879579025 Energy: 0.6835057002108947 Energy: 0.6835057053693436 Energy: 0.46708863091784547 Energy: 0.7020395208335123 Energy: 0.7020395473617859 Energy: 0.523051249895021 Energy: 0.47244534777981306 Energy: 0.4724453477813392 Energy: 0.548422768823756 Energy: 0.722948058926391 Energy: 0.7229506421641555 Energy: 0.5240509148162343 Energy: 0.7024928303441244 Energy: 0.7024928303441244 Energy: 0.517190594232697 Energy: 0.59917160643377 Energy: 0.5991719386513343 minimum gb energy = 0.46708863091784547 eV minimum distance = 2.40099836929646 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.5607188556020343 Energy: 0.6603955686036046 Energy: 0.6603955683826749 Energy: 0.4438751278128658 Energy: 0.6823536017639059 Energy: 0.6822757031197239 Energy: 0.44471548362894164 Energy: 0.5364296904143043 Energy: 0.5364299704747907 Energy: 0.6273407116750235 Energy: 0.49632209766625673 Energy: 0.4963204020748826 Energy: 0.5402302014833592 Energy: 0.6389596368852211 Energy: 0.6389597635098111 Energy: 0.45384619040183855 Energy: 0.6658820581450234 Energy: 0.6658820574574194 Energy: 0.452129353450546 Energy: 0.6664605529507042 Energy: 0.6664594913193058 Energy: 0.6288222351963489 Energy: 0.6066889568959051 Energy: 0.6066888018999059 Energy: 0.48874049043765694 Energy: 0.448020246842536 Energy: 0.44802056154575165 Energy: 0.44694355265319685 Energy: 0.604111110340524 Energy: 0.6041114587727784 minimum gb energy = 0.4438751278128658 eV minimum distance = 2.40124899429301 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5962520290755557 Energy: 0.6377871153628284 Energy: 0.637786910402196 Energy: 0.5082407098167783 Energy: 0.43029912512990093 Energy: 0.43029912687331684 Energy: 0.4260328609813882 Energy: 0.6282682743391721 Energy: 0.6282683512286492 Energy: 0.4246754814012057 Energy: 0.43738997237188826 Energy: 0.4373899613799141 Energy: 0.42603278010109863 Energy: 0.6621215621174559 Energy: 0.6621223100669225 Energy: 0.4260329119798784 Energy: 0.5249542466564716 Energy: 0.5249542461549649 Energy: 0.42468151893477096 Energy: 0.6115581919026757 Energy: 0.6115582869091012 Energy: 0.5962519536124271 Energy: 0.6276619646335309 Energy: 0.6276619729072276 Energy: 0.5793342192389164 Energy: 0.5041382233511741 Energy: 0.5041382634364594 Energy: 0.42603272969042016 Energy: 0.6518751380195389 Energy: 0.6518507242601476 minimum gb energy = 0.4246754814012057 eV minimum distance = 2.57322492098632 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.5759931078123719 Energy: 0.6173379048640127 Energy: 0.6173379042089675 Energy: 0.4782503021838394 Energy: 0.48536328623253666 Energy: 0.4853632724135686 Energy: 0.4087743715706948 Energy: 0.6144722297332897 Energy: 0.6144725080196984 Energy: 0.4174810875061619 Energy: 0.6336518687860545 Energy: 0.6336530677629306 Energy: 0.6156816403982707 Energy: 0.44525298673736163 Energy: 0.4452528827595966 Energy: 0.4124455666742367 Energy: 0.6232660324947575 Energy: 0.6225567743520449 Energy: 0.4053751216765522 Energy: 0.6214813639996671 Energy: 0.6214819495069733 Energy: 0.6581438035690492 Energy: 0.5454696582885179 Energy: 0.5454696929632407 Energy: 0.4116671356207728 Energy: 0.6148051864252281 Energy: 0.6148051899648407 Energy: 0.40762374631681914 Energy: 0.5455502327112449 Energy: 0.5455502266956955 minimum gb energy = 0.4053751216765522 eV minimum distance = 2.40477603886316 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.5424536034085318 Energy: 0.588255652304439 Energy: 0.5882556303748206 Energy: 0.3976633378904627 Energy: 0.6118016751126518 Energy: 0.6118016205537619 Energy: 0.39082919084992884 Energy: 0.566321528689775 Energy: 0.5663217621627255 Energy: 0.3910719230362098 Energy: 0.5115723363521082 Energy: 0.5115723428323944 Energy: 0.39082923787277546 Energy: 0.5115723368220028 Energy: 0.5115723438124133 Energy: 0.3908293428119481 Energy: 0.611804174876861 Energy: 0.611804176157231 Energy: 0.3976633643625398 Energy: 0.5887532871608335 Energy: 0.588753307103915 Energy: 0.5424536297974993 Energy: 0.598813585636438 Energy: 0.598813590180535 Energy: 0.4673575376052145 Energy: 0.5353139034635217 Energy: 0.5353138874352166 Energy: 0.4499470654711018 Energy: 0.3900058237937081 Energy: 0.390005788151821 minimum gb energy = 0.390005788151821 eV minimum distance = 2.56657156819864 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.6285361086107001 Energy: 0.5787987904374318 Energy: 0.5787987922606667 Energy: 0.37983982729028126 Energy: 0.6374989633035187 Energy: 0.6374989719521692 Energy: 0.3794406580003297 Energy: 0.5737080484320355 Energy: 0.5737081393746046 Energy: 0.4653158854848541 Energy: 0.5847736839584224 Energy: 0.5847737897574664 Energy: 0.4653155121925536 Energy: 0.5719514039014919 Energy: 0.5719511319596445 Energy: 0.3778770249775208 Energy: 0.5590506214139487 Energy: 0.5590507828793226 Energy: 0.3918458717613531 Energy: 0.5108239038664051 Energy: 0.5108239328117403 Energy: 0.6863517464913242 Energy: 0.5165372336620571 Energy: 0.5165372338195544 Energy: 0.4552864172649038 Energy: 0.5002122221809039 Energy: 0.5002121410631342 Energy: 0.3766640588391454 Energy: 0.580996111810721 Energy: 0.580996148597662 minimum gb energy = 0.3766640588391454 eV minimum distance = 2.41103382029533 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.5058472514407067 Energy: 0.5619871531180555 Energy: 0.5619871552512599 Energy: 0.3771007338672684 Energy: 0.5549474268921551 Energy: 0.5549474340824456 Energy: 0.3524856893793405 Energy: 0.5452739292947852 Energy: 0.5452732122028833 Energy: 0.3535113480841436 Energy: 0.4691733076936837 Energy: 0.46917332969002234 Energy: 0.39643921067006277 Energy: 0.46917324616314643 Energy: 0.4691733077557153 Energy: 0.3535112870199398 Energy: 0.4233245887782658 Energy: 0.42332458530993095 Energy: 0.46936801166736986 Energy: 0.5565304301675932 Energy: 0.5565304301487476 Energy: 0.5058472518491455 Energy: 0.558413513570596 Energy: 0.558413523246035 Energy: 0.3771007091027847 Energy: 0.5556904503649115 Energy: 0.5556904291620502 Energy: 0.3627145655020993 Energy: 0.5549474413398032 Energy: 0.5549474370265522 minimum gb energy = 0.3524856893793405 eV minimum distance = 2.61600954175961 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.5316801580504292 Energy: 0.5237694185609939 Energy: 0.5237694376788846 Energy: 0.5703705667325627 Energy: 0.3872676203867065 Energy: 0.3872676203854892 Energy: 0.3355789859953991 Energy: 0.527001641823812 Energy: 0.5270002590539121 Energy: 0.3355789859081953 Energy: 0.5263657986683532 Energy: 0.5263663782559966 Energy: 0.3292337054566597 Energy: 0.44092422492275063 Energy: 0.44092451286830664 Energy: 0.3414112953887523 Energy: 0.5158834361278752 Energy: 0.5158834480814285 Energy: 0.497559420182934 Energy: 0.43437399464598936 Energy: 0.43437400877511745 Energy: 0.5924612132391662 Energy: 0.5375522875222905 Energy: 0.5375522612497823 Energy: 0.44449843367361186 Energy: 0.5299786371612242 Energy: 0.529824433286662 Energy: 0.39815752177134234 Energy: 0.43652565137701127 Energy: 0.436525652989635 minimum gb energy = 0.3292337054566597 eV minimum distance = 2.40988726242865 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.5853492338654775 Energy: 0.5018115098428976 Energy: 0.5018115099993633 Energy: 0.4708445532099018 Energy: 0.49260266237689676 Energy: 0.4926030062746648 Energy: 0.3374255042306866 Energy: 0.3872736510589612 Energy: 0.3872736453043324 Energy: 0.3216710357088436 Energy: 0.49862354970680217 Energy: 0.4986242697891424 Energy: 0.3136893218743132 Energy: 0.4986363553164551 Energy: 0.4986370204551067 Energy: 0.3952088054522668 Energy: 0.41209502555837235 Energy: 0.412095016887618 Energy: 0.35726901861210647 Energy: 0.5079625363566838 Energy: 0.5079626710133146 Energy: 0.5840592908564612 Energy: 0.5054810001100697 Energy: 0.5054797020563105 Energy: 0.6042421696492226 Energy: 0.35874515599230067 Energy: 0.3587451078120963 Energy: 0.32429200000813013 Energy: 0.5109686289209228 Energy: 0.5109687196054804 minimum gb energy = 0.3136893218743132 eV minimum distance = 2.61086896293095 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.5485207489919585 Energy: 0.47729317021588036 Energy: 0.47729316904958785 Energy: 0.4190742814965638 Energy: 0.5358314954731438 Energy: 0.535831524899253 Energy: 0.3035515624069485 Energy: 0.5254956390314789 Energy: 0.5254953026460545 Energy: 0.3015708795155272 Energy: 0.4761277893737834 Energy: 0.4761273537995067 Energy: 0.30157088998906245 Energy: 0.471687213678053 Energy: 0.47168720068040426 Energy: 0.30355157521435355 Energy: 0.4816263372183387 Energy: 0.4816263752552556 Energy: 0.4190742800290247 Energy: 0.47562137783103065 Energy: 0.4756213784184347 Energy: 0.5828351103268401 Energy: 0.4613737024188287 Energy: 0.4613745400944326 Energy: 0.41761151470623564 Energy: 0.4817067496590575 Energy: 0.4817099368854135 Energy: 0.3150147602446855 Energy: 0.46034002596300955 Energy: 0.4603401208468315 minimum gb energy = 0.3015708795155272 eV minimum distance = 2.54944087570547 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.4898735690211906 Energy: 0.4523678651283066 Energy: 0.4523682879832771 Energy: 0.36734987484538856 Energy: 0.448090774825669 Energy: 0.4480907775960458 Energy: 0.402994351113136 Energy: 0.2911745402808065 Energy: 0.29117453845910146 Energy: 0.2803514498699937 Energy: 0.45973780564338024 Energy: 0.45973819932304566 Energy: 0.29147578217232945 Energy: 0.44873443096778604 Energy: 0.44873438516421676 Energy: 0.2849314665606456 Energy: 0.45003442880031225 Energy: 0.45003443238224594 Energy: 0.6112306469845358 Energy: 0.2877407339986912 Energy: 0.28774075642780444 Energy: 0.5616693511293351 Energy: 0.45901661874688643 Energy: 0.45901701000478806 Energy: 0.3718355740224145 Energy: 0.5178613386356559 Energy: 0.5178613386356559 Energy: 0.28463674231796887 Energy: 0.45896316553812777 Energy: 0.45896303734307264 minimum gb energy = 0.2803514498699937 eV minimum distance = 2.60430653969716 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.5497743837853277 Energy: 0.4333920338608992 Energy: 0.43339203531325443 Energy: 0.6205910742107154 Energy: 0.3359579352537688 Energy: 0.335957837900527 Energy: 0.2760580448352262 Energy: 0.43004588917310466 Energy: 0.4300459434984598 Energy: 0.2653974354393551 Energy: 0.41939294355613604 Energy: 0.4193929273549164 Energy: 0.27605804485124463 Energy: 0.4358706764998825 Energy: 0.43587112395131916 Energy: 0.27067701851832643 Energy: 0.41364725002251324 Energy: 0.4136482033934916 Energy: 0.34946575060152063 Energy: 0.4447387720085011 Energy: 0.44473874675560804 Energy: 0.5327129904569444 Energy: 0.43063516532978285 Energy: 0.4306369700040051 Energy: 0.44434392644014253 Energy: 0.44105200572783376 Energy: 0.4410519980694132 Energy: 0.27311695833717453 Energy: 0.4422555803596691 Energy: 0.4422483228085753 minimum gb energy = 0.2653974354393551 eV minimum distance = 2.59779840719627 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.5217791464661647 Energy: 0.41718683385240307 Energy: 0.4171867493986119 Energy: 0.33647988967988407 Energy: 0.4255827792082477 Energy: 0.42558227844246094 Energy: 0.30250529800408 Energy: 0.44890137368418853 Energy: 0.44890163551967366 Energy: 0.25442467685404074 Energy: 0.4170537875702193 Energy: 0.4170537692276862 Energy: 0.25891580443874673 Energy: 0.42521711005738727 Energy: 0.4252194671478235 Energy: 0.2630378045734949 Energy: 0.46686260182150485 Energy: 0.4668626446073102 Energy: 0.3364780621513483 Energy: 0.412796908655317 Energy: 0.4127969553567684 Energy: 0.569351131353458 Energy: 0.4028988101509309 Energy: 0.40289869052830696 Energy: 0.5892988768701711 Energy: 0.3185803450362452 Energy: 0.31858035236896176 Energy: 0.3187604756716814 Energy: 0.3899829139370324 Energy: 0.3899827809521912 minimum gb energy = 0.25442467685404074 eV minimum distance = 2.59001865647626 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.4974083220877709 Energy: 0.4014746254034171 Energy: 0.40147462815976537 Energy: 0.3250408674751982 Energy: 0.40125323565040116 Energy: 0.4012532348482325 Energy: 0.251742931505931 Energy: 0.4013607092077758 Energy: 0.401361035810207 Energy: 0.24854705601498633 Energy: 0.39605167262754987 Energy: 0.39605255381450505 Energy: 0.24625333445253528 Energy: 0.3842255702852857 Energy: 0.38422767963208876 Energy: 0.3916454473763163 Energy: 0.3055965936262736 Energy: 0.30559712535043937 Energy: 0.46465183589954573 Energy: 0.34255810268910847 Energy: 0.342558011647656 Energy: 0.5427184776181112 Energy: 0.40135560559256445 Energy: 0.401357669618588 Energy: 0.3962899767432955 Energy: 0.4130940582232937 Energy: 0.41309243300906456 Energy: 0.25624860894764956 Energy: 0.4428135725204518 Energy: 0.44281360889133686 minimum gb energy = 0.24625333445253528 eV minimum distance = 2.61161696167438 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.01168290094844007 Energy: 0.01168290094844007 Energy: 0.01168290094844007 Energy: 0.011682900949127146 Energy: 0.19252828338543274 Energy: 0.19252828338060357 Energy: 0.01168290095397594 Energy: 0.19252828338025024 Energy: 0.19252828338233108 Energy: 0.011682900949480499 Energy: 0.19252828337956315 Energy: 0.19252828337956315 Energy: 0.011682900949833853 Energy: 0.19252828338129066 Energy: 0.1925282833826648 Energy: 0.011682900949480499 Energy: 0.19252828338060357 Energy: 0.19252828338060357 Energy: 0.011682900948793422 Energy: 0.19252828337956315 Energy: 0.19252828337956315 Energy: 0.01168290094844007 Energy: 0.01168290095397594 Energy: 0.01168290094844007 Energy: 0.011682900949127146 Energy: 0.1925282833792098 Energy: 0.19252828338025024 Energy: 0.011682900949127146 Energy: 0.19252828337989686 Energy: 0.19252828337956315 minimum gb energy = 0.01168290094844007 eV minimum distance = 2.85662961161109 Angstroms sigma value = 1