model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_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=4.049763545393944 cohesive_energy=3.3185781967567785 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010198457899469354 Energy: 0.010198457899469354 Energy: 0.010198457898997346 Energy: 0.01019845789849757 Energy: 0.010198457896554 Energy: 0.010198457897997797 Energy: 0.010198457898997346 Energy: 0.010198457896054223 Energy: 0.01019845789555445 Energy: 0.010198457897997797 Energy: 0.010198457897525784 Energy: 0.0101984579019127 Energy: 0.010198457896054223 Energy: 0.010198457904356046 Energy: 0.01019845789702601 Energy: 0.12395591637096204 Energy: 0.010198457897525784 Energy: 0.010198457898997346 Energy: 0.010198457899469354 Energy: 0.010198457897997797 Energy: 0.01019845789702601 Energy: 0.01019845789996913 Energy: 0.010198457900441141 Energy: 0.010198457898997346 Energy: 0.01019845789702601 Energy: 0.010198457897525784 Energy: 0.010198457899469354 Energy: 0.010198457897525784 Energy: 0.010198457897525784 Energy: 0.010198457897525784 minimum gb energy = 0.01019845789555445 eV minimum distance = 2.86348937730243 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.3433413678189084 Energy: 0.322611143400859 Energy: 0.32261114339923364 Energy: 0.311847491736645 Energy: 0.3225740495308228 Energy: 0.3225740495509764 Energy: 0.3138148658027906 Energy: 0.32487731178048546 Energy: 0.32487731179446294 Energy: 0.3174856855733356 Energy: 0.31070363516751015 Energy: 0.31070363517206095 Energy: 0.31718379621563264 Energy: 0.322760868402094 Energy: 0.3227608684375253 Energy: 0.29082047765766106 Energy: 0.327140875806535 Energy: 0.32714087581531154 Energy: 0.31346352680040046 Energy: 0.32265877736772663 Energy: 0.3226587772887671 Energy: 0.3155008525993773 Energy: 0.3121383246209501 Energy: 0.31213832463752805 Energy: 0.3172744445834459 Energy: 0.3590578676019208 Energy: 0.35905786759346936 Energy: 0.3154817619342955 Energy: 0.3271257479632482 Energy: 0.3271257479538216 minimum gb energy = 0.29082047765766106 eV minimum distance = 2.60719941922824 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.3556239291031783 Energy: 0.3357918395942277 Energy: 0.3357918395900498 Energy: 0.2965829981681082 Energy: 0.33578098835335146 Energy: 0.3357809884226041 Energy: 0.32396254371413663 Energy: 0.335822426943184 Energy: 0.3358224269359043 Energy: 0.321462744757636 Energy: 0.3361174522568698 Energy: 0.33611745225408446 Energy: 0.3092101070666212 Energy: 0.3358041964337501 Energy: 0.33580419642852766 Energy: 0.33030536242285724 Energy: 0.336136255414038 Energy: 0.3361362554147343 Energy: 0.3066867465628058 Energy: 0.3357914801266397 Energy: 0.3357914801318621 Energy: 0.3201621463143393 Energy: 0.33609305998627464 Energy: 0.33609305998279293 Energy: 0.32215683967351477 Energy: 0.33579589395399395 Energy: 0.33579589395434206 Energy: 0.311353743559908 Energy: 0.341427548246447 Energy: 0.34142754824714333 minimum gb energy = 0.2965829981681082 eV minimum distance = 2.60935014736359 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.368786719983223 Energy: 0.3456520544682627 Energy: 0.3456520544686375 Energy: 0.3280624551995858 Energy: 0.34545512668624223 Energy: 0.3454551266839935 Energy: 0.342718080993558 Energy: 0.3350872580226109 Energy: 0.3350872582387637 Energy: 0.3351532988865093 Energy: 0.3992583429512865 Energy: 0.39925834294941254 Energy: 0.3395947030202248 Energy: 0.3480528066708287 Energy: 0.3480881861169833 Energy: 0.3116133631774696 Energy: 0.35084407878706325 Energy: 0.3508440787938095 Energy: 0.33455148914346067 Energy: 0.3466254508019002 Energy: 0.34662571881062143 Energy: 0.3399490445453567 Energy: 0.4418444895321134 Energy: 0.4418444895223688 Energy: 0.34257598786886023 Energy: 0.33695801853967866 Energy: 0.3369580185389291 Energy: 0.33193482632954624 Energy: 0.35089415935014473 Energy: 0.3508941593475553 minimum gb energy = 0.3116133631774696 eV minimum distance = 2.60629079304464 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.38335981993198615 Energy: 0.3614619164249962 Energy: 0.3614619164063286 Energy: 0.3495223693404001 Energy: 0.4015565609483379 Energy: 0.40155656094914954 Energy: 0.346654313604352 Energy: 0.3587313891131805 Energy: 0.358731389111963 Energy: 0.347771928749736 Energy: 0.3613697902108233 Energy: 0.3613697902112291 Energy: 0.35498142084225026 Energy: 0.4126699376673297 Energy: 0.412669937666518 Energy: 0.35511975163117876 Energy: 0.36190118471766153 Energy: 0.36190118472131383 Energy: 0.3552458452353735 Energy: 0.4103662870205347 Energy: 0.4103662870371732 Energy: 0.34069528268197674 Energy: 0.36133536687341067 Energy: 0.3613353668340648 Energy: 0.35230069037972067 Energy: 0.35610072214334204 Energy: 0.35610072214334204 Energy: 0.35228018941576 Energy: 0.37254285638540674 Energy: 0.37254285638540674 minimum gb energy = 0.34069528268197674 eV minimum distance = 2.60142685471381 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.39923276672906005 Energy: 0.3798681890660671 Energy: 0.37986818906695197 Energy: 0.37217121834864847 Energy: 0.3768655094060273 Energy: 0.37686550941045155 Energy: 0.35899016968840636 Energy: 0.3735698471329349 Energy: 0.3735698471333773 Energy: 0.35865435807790885 Energy: 0.38363651520806596 Energy: 0.38363651521735675 Energy: 0.36969766494076217 Energy: 0.36981419515848446 Energy: 0.3698141951752964 Energy: 0.33697705838384584 Energy: 0.37964130174468286 Energy: 0.37964130174468286 Energy: 0.369682916956067 Energy: 0.37196443981599825 Energy: 0.37196443981732547 Energy: 0.3696418748934359 Energy: 0.3621366659197521 Energy: 0.36213666590340265 Energy: 0.3487253121878584 Energy: 0.37329256689590645 Energy: 0.37329256689413676 Energy: 0.36956823909113456 Energy: 0.3667482015102069 Energy: 0.3667482015088796 minimum gb energy = 0.33697705838384584 eV minimum distance = 2.59285515485873 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4140957944060739 Energy: 0.3929611085826876 Energy: 0.3929611085851188 Energy: 0.37857770672777963 Energy: 0.3924310047541842 Energy: 0.39243099650532204 Energy: 0.3840026087930639 Energy: 0.3971177835176785 Energy: 0.39711778351524724 Energy: 0.3775817383787194 Energy: 0.3921418387117636 Energy: 0.39214183871613983 Energy: 0.3849621074687497 Energy: 0.3977492129935295 Energy: 0.3977492129915845 Energy: 0.3852074774859178 Energy: 0.40188831371590905 Energy: 0.4018883137086154 Energy: 0.3761058106616341 Energy: 0.4014636153874399 Energy: 0.40146361539132985 Energy: 0.37782158100615276 Energy: 0.3971056383423406 Energy: 0.39710563832823953 Energy: 0.3840150064618973 Energy: 0.38171872251088207 Energy: 0.3817187225201207 Energy: 0.38501261926917413 Energy: 0.39189904091886724 Energy: 0.39189904095387673 minimum gb energy = 0.3761058106616341 eV minimum distance = 2.5881389031462 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.4251182358228812 Energy: 0.4188129554492783 Energy: 0.41881295476692215 Energy: 0.41006926021105944 Energy: 0.4188616820601652 Energy: 0.41886168209092495 Energy: 0.3832691827625761 Energy: 0.41886713439229517 Energy: 0.41886713439229517 Energy: 0.3692951161135682 Energy: 0.4186978087147413 Energy: 0.41869780870826556 Energy: 0.3849569752350466 Energy: 0.4185463665780287 Energy: 0.41854636656831506 Energy: 0.37702954930602955 Energy: 0.4185459460475889 Energy: 0.41854594604381135 Energy: 0.3993328703558704 Energy: 0.4185551191912597 Energy: 0.4185551191934183 Energy: 0.3833793067099913 Energy: 0.41853117702041287 Energy: 0.41853117700584247 Energy: 0.4035089239529105 Energy: 0.41856064705897805 Energy: 0.4185606470568195 Energy: 0.40940191412942684 Energy: 0.4186061284750071 Energy: 0.4186061284901172 minimum gb energy = 0.3692951161135682 eV minimum distance = 2.5847797790469 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.4404678909349117 Energy: 0.44017085040902637 Energy: 0.4401708504126631 Energy: 0.4210814897253718 Energy: 0.4133416025323931 Energy: 0.41334160224765476 Energy: 0.42431485229007093 Energy: 0.4165037194387669 Energy: 0.4165037191661509 Energy: 0.42944467863835584 Energy: 0.4224520037560924 Energy: 0.4224519364449392 Energy: 0.4245271466477644 Energy: 0.43693102573195397 Energy: 0.4369310257368029 Energy: 0.42467463851505255 Energy: 0.443269739821969 Energy: 0.443269739821969 Energy: 0.42884665402416705 Energy: 0.4260973672145103 Energy: 0.4260973672145103 Energy: 0.42931826878675033 Energy: 0.4165185774408319 Energy: 0.41651857738931175 Energy: 0.42177518607594383 Energy: 0.4132786750220912 Energy: 0.4132731659523517 Energy: 0.43075848565885594 Energy: 0.43796893681586524 Energy: 0.4379689368509926 minimum gb energy = 0.4132731659523517 eV minimum distance = 2.5626085142924 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.4615940277264715 Energy: 0.45435731407287466 Energy: 0.45435731413775254 Energy: 0.43666391282126743 Energy: 0.42766195234609033 Energy: 0.4276619523409236 Energy: 0.43757612068887586 Energy: 0.4410502416223901 Energy: 0.4410502418625557 Energy: 0.41184696375984403 Energy: 0.454451184812501 Energy: 0.45445118480991764 Energy: 0.4340170796910386 Energy: 0.43355890985175755 Energy: 0.4335589098501429 Energy: 0.4254942754015493 Energy: 0.44219214076419344 Energy: 0.4421921407645164 Energy: 0.42812142143943566 Energy: 0.4536911117528704 Energy: 0.4536911117531933 Energy: 0.43168081526305624 Energy: 0.436696443659672 Energy: 0.4366964436577345 Energy: 0.3960253160105834 Energy: 0.4581509695137844 Energy: 0.45815096951058454 Energy: 0.4409438168776368 Energy: 0.4501239256173171 Energy: 0.45012392561699427 minimum gb energy = 0.3960253160105834 eV minimum distance = 2.55368610224511 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.4651576185577277 Energy: 0.46344581691271636 Energy: 0.46344581688994213 Energy: 0.4491159927492401 Energy: 0.43422993014873473 Energy: 0.43422993015979205 Energy: 0.439456654243075 Energy: 0.46336242547435896 Energy: 0.4633624255247766 Energy: 0.4250185496218125 Energy: 0.4624018954956255 Energy: 0.46240189554811634 Energy: 0.4367740694090857 Energy: 0.4660926516729934 Energy: 0.4660926517158406 Energy: 0.41447669125303954 Energy: 0.46232756710327516 Energy: 0.46230742333515557 Energy: 0.4288778235418261 Energy: 0.4650473348981802 Energy: 0.4650473348961383 Energy: 0.40161329950249536 Energy: 0.46235054157299293 Energy: 0.46235054156953753 Energy: 0.4393317424633888 Energy: 0.4431944800537172 Energy: 0.44319447999016903 Energy: 0.4484178546350686 Energy: 0.4577426674537419 Energy: 0.45774266741642344 minimum gb energy = 0.40161329950249536 eV minimum distance = 2.5566253127813 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.484266179982815 Energy: 0.4716061790024744 Energy: 0.47160617900210294 Energy: 0.4143484275037577 Energy: 0.4751623382336646 Energy: 0.47516233823329307 Energy: 0.43347219844478785 Energy: 0.4836711086472211 Energy: 0.4836711086487072 Energy: 0.42673808692683407 Energy: 0.4751627229559462 Energy: 0.4751627229559462 Energy: 0.455921331089947 Energy: 0.47153210716316796 Energy: 0.4715321071178415 Energy: 0.4506365056978388 Energy: 0.4736648629353965 Energy: 0.47366486293502497 Energy: 0.4402932307220892 Energy: 0.4535347854273081 Energy: 0.4535347854280511 Energy: 0.45346348944511133 Energy: 0.4500369737687971 Energy: 0.4500369737699117 Energy: 0.4449460393793306 Energy: 0.477628680118169 Energy: 0.4776286801063138 Energy: 0.44228388862078616 Energy: 0.4823550762341837 Energy: 0.48235507622638163 minimum gb energy = 0.4143484275037577 eV minimum distance = 2.56547608080296 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.46135683438023795 Energy: 0.4931626076033689 Energy: 0.4931626076041723 Energy: 0.45227213655789195 Energy: 0.45232500667966113 Energy: 0.452325009719054 Energy: 0.47211467081123515 Energy: 0.48387753971950803 Energy: 0.4838775397315585 Energy: 0.4669462310612909 Energy: 0.4930303612008319 Energy: 0.4930303612008319 Energy: 0.4522739349709255 Energy: 0.4523274230131197 Energy: 0.4523084826075607 Energy: 0.4526042026691546 Energy: 0.45273212707594596 Energy: 0.45273212708315796 Energy: 0.4639527300227457 Energy: 0.48187932393209626 Energy: 0.4818793239377198 Energy: 0.4418864195982326 Energy: 0.4769580477974698 Energy: 0.47695804781273377 Energy: 0.4511545529791547 Energy: 0.4524027463491555 Energy: 0.4524027408284541 Energy: 0.45226300647453377 Energy: 0.4523776543839158 Energy: 0.45237765437266875 minimum gb energy = 0.4418864195982326 eV minimum distance = 2.55302155508311 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5047867606155025 Energy: 0.5101183551678763 Energy: 0.5101183551700617 Energy: 0.45559264186907084 Energy: 0.516890120686885 Energy: 0.516890120687322 Energy: 0.4764028349539959 Energy: 0.4721301463615405 Energy: 0.4721301463606663 Energy: 0.48191259650002327 Energy: 0.4858556297154947 Energy: 0.4857299655493398 Energy: 0.4721773182043614 Energy: 0.47240667653455015 Energy: 0.47240667653455015 Energy: 0.47557505377594866 Energy: 0.47235660768915366 Energy: 0.47235660559516834 Energy: 0.4711589262533856 Energy: 0.45747622254078135 Energy: 0.4574762225425297 Energy: 0.4762645436359532 Energy: 0.4704471392073159 Energy: 0.47053380031113745 Energy: 0.4718613053424281 Energy: 0.4495369109908874 Energy: 0.4495369109908874 Energy: 0.4818986055319152 Energy: 0.47249359931752166 Energy: 0.47249359930878015 minimum gb energy = 0.4495369109908874 eV minimum distance = 2.53777848971045 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.487623847371845 Energy: 0.48282374981516973 Energy: 0.48282706019535077 Energy: 0.44183207603645225 Energy: 0.48086115347931724 Energy: 0.4808611534783589 Energy: 0.5064465789714861 Energy: 0.5118088122615234 Energy: 0.5118088122624816 Energy: 0.4826564973989719 Energy: 0.4500350677838155 Energy: 0.450035007284581 Energy: 0.4833501146786029 Energy: 0.46003481927619483 Energy: 0.46003481928194495 Energy: 0.46020342466052117 Energy: 0.48526352133958933 Energy: 0.48526352135204803 Energy: 0.43711078321468905 Energy: 0.4829253064531051 Energy: 0.4829253561583438 Energy: 0.43708973021870035 Energy: 0.460201646559916 Energy: 0.4602016465608744 Energy: 0.4717238505902693 Energy: 0.4624757580500787 Energy: 0.46247575805199537 Energy: 0.47190029902342856 Energy: 0.4624800434617747 Energy: 0.46248002678894423 minimum gb energy = 0.43708973021870035 eV minimum distance = 2.54830117615715 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5144216325723903 Energy: 0.4971671038345366 Energy: 0.4972371813355582 Energy: 0.4876060757117638 Energy: 0.4691017860210391 Energy: 0.46910178592482316 Energy: 0.4878649630305394 Energy: 0.46912183608556635 Energy: 0.46912183598733365 Energy: 0.4901075866303389 Energy: 0.49720519272044106 Energy: 0.4972054329908266 Energy: 0.4877099139943528 Energy: 0.47382701807111927 Energy: 0.4738270181485637 Energy: 0.4876680578064994 Energy: 0.4812816592362613 Energy: 0.48128165915847565 Energy: 0.47112875068335985 Energy: 0.49725356384352604 Energy: 0.4972591108793192 Energy: 0.4897522447218302 Energy: 0.4797913831955704 Energy: 0.47979138319864206 Energy: 0.4880178111749636 Energy: 0.48218603753538264 Energy: 0.48218603750876116 Energy: 0.4550953520114284 Energy: 0.49731783391052986 Energy: 0.4973178338887176 minimum gb energy = 0.4550953520114284 eV minimum distance = 2.5711353837208 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5137288591750884 Energy: 0.49809252720084213 Energy: 0.49809252725220743 Energy: 0.4775250769174478 Energy: 0.4882775756607763 Energy: 0.4882775756819777 Energy: 0.47157513224070075 Energy: 0.4761203309711231 Energy: 0.4761203309430794 Energy: 0.48663258679649957 Energy: 0.47775182845993525 Energy: 0.4777518284583452 Energy: 0.4737128133344444 Energy: 0.4631349257808094 Energy: 0.46313492579035 Energy: 0.5214330549500217 Energy: 0.48659569942708397 Energy: 0.486595621667188 Energy: 0.4976807113601459 Energy: 0.48821786766840725 Energy: 0.48821786798734434 Energy: 0.4698581239744582 Energy: 0.48819451622060955 Energy: 0.48819451618408527 Energy: 0.508641217237496 Energy: 0.49498579898513106 Energy: 0.4949857989899014 Energy: 0.46299823571307575 Energy: 0.48008016431062905 Energy: 0.4800803092434336 minimum gb energy = 0.46299823571307575 eV minimum distance = 2.53111882240882 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.5269833522775206 Energy: 0.49357905554065684 Energy: 0.4935788240490997 Energy: 0.4767455755106504 Energy: 0.4938813557319586 Energy: 0.4938813557301273 Energy: 0.47677608559384455 Energy: 0.5007488738962498 Energy: 0.5007488738998793 Energy: 0.47654307833292286 Energy: 0.47867245624969007 Energy: 0.47867245563791433 Energy: 0.463666580281728 Energy: 0.49254101752458346 Energy: 0.4925410175648401 Energy: 0.49151114933815143 Energy: 0.49018875671945866 Energy: 0.4901887567205575 Energy: 0.4967158652921379 Energy: 0.4864971267754879 Energy: 0.4864971267688949 Energy: 0.47970442351430936 Energy: 0.4790935449244239 Energy: 0.479093544954092 Energy: 0.4852115004698959 Energy: 0.49216121695886067 Energy: 0.4921612169877962 Energy: 0.45933340330540656 Energy: 0.4927006289032101 Energy: 0.49270062891859356 minimum gb energy = 0.45933340330540656 eV minimum distance = 2.53498292496667 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.4658948342054286 Energy: 0.4771454498917149 Energy: 0.47714543850466984 Energy: 0.5468026875366103 Energy: 0.4559101423140024 Energy: 0.45591288559825116 Energy: 0.554672119037657 Energy: 0.4771913950208423 Energy: 0.4771913950303238 Energy: 0.4559154880785113 Energy: 0.46010542167734086 Energy: 0.46010542167615576 Energy: 0.5034050412779882 Energy: 0.45609640730700146 Energy: 0.4560964073058162 Energy: 0.45590303856505493 Energy: 0.48510317209178944 Energy: 0.48510317209178944 Energy: 0.5084669968808164 Energy: 0.45591233668363196 Energy: 0.4559091025643776 Energy: 0.45620304265354045 Energy: 0.4852371193188764 Energy: 0.48523711933428393 Energy: 0.45592028124168543 Energy: 0.4612479323562465 Energy: 0.46125353483171316 Energy: 0.45990184362171715 Energy: 0.4559931006779832 Energy: 0.4559931006827241 minimum gb energy = 0.45590303856505493 eV minimum distance = 2.61400440003095 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5156448965604168 Energy: 0.49291789860210206 Energy: 0.49291789848852396 Energy: 0.47716880434910197 Energy: 0.49531375688420576 Energy: 0.495313756904323 Energy: 0.5022446398505779 Energy: 0.5053795746450207 Energy: 0.5053795745657249 Energy: 0.48840174617021626 Energy: 0.49497311984751013 Energy: 0.4949731198427886 Energy: 0.4943429640325589 Energy: 0.49672905625837244 Energy: 0.49672639371626537 Energy: 0.5217399539482654 Energy: 0.5137402592488232 Energy: 0.5137402592488232 Energy: 0.4857917662634082 Energy: 0.4936222792615784 Energy: 0.4936222792603193 Energy: 0.47001469114259553 Energy: 0.479690404617371 Energy: 0.4796904046110754 Energy: 0.5172768848073663 Energy: 0.5119672956378934 Energy: 0.511967295631283 Energy: 0.4944647275564396 Energy: 0.4950096577722135 Energy: 0.49500965777850914 minimum gb energy = 0.47001469114259553 eV minimum distance = 2.58097820715796 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5135556219609791 Energy: 0.484422920498563 Energy: 0.48442289971853725 Energy: 0.48999420097868346 Energy: 0.5110831477492637 Energy: 0.5110831477548352 Energy: 0.543933708839919 Energy: 0.5002101520690108 Energy: 0.5002101520060273 Energy: 0.49076100803298833 Energy: 0.4844168976254643 Energy: 0.4844168976168925 Energy: 0.47341515541365764 Energy: 0.4845408313377296 Energy: 0.4845408313141766 Energy: 0.5486613246067231 Energy: 0.5532476858744843 Energy: 0.5532476858740557 Energy: 0.49632648572624066 Energy: 0.5217166705086217 Energy: 0.5217166705090502 Energy: 0.4915029466938697 Energy: 0.48439669757881776 Energy: 0.4843966975475501 Energy: 0.47329405056525853 Energy: 0.5110624478278428 Energy: 0.511062447852253 Energy: 0.5297669001015489 Energy: 0.4792398219846876 Energy: 0.4792398220206698 minimum gb energy = 0.47329405056525853 eV minimum distance = 2.54477318354993 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5129916809292349 Energy: 0.4807477444465374 Energy: 0.48074774435933737 Energy: 0.4693039930467385 Energy: 0.49883687285616274 Energy: 0.4988368728427685 Energy: 0.4693114266574288 Energy: 0.5017744777467851 Energy: 0.5017744353272232 Energy: 0.5016503545854147 Energy: 0.4692860296527131 Energy: 0.46926985156508233 Energy: 0.582189942966476 Energy: 0.4732796418877605 Energy: 0.47327964188708926 Energy: 0.5618522585318649 Energy: 0.5163847787862115 Energy: 0.5163847787788279 Energy: 0.4693166046774011 Energy: 0.49741663984649226 Energy: 0.4974166398491773 Energy: 0.4944623042371311 Energy: 0.5089997879156197 Energy: 0.5089997879431405 Energy: 0.4729535189403386 Energy: 0.48067779923341014 Energy: 0.480677795215132 Energy: 0.4692984739414045 Energy: 0.5318869274471908 Energy: 0.531886927453232 minimum gb energy = 0.46926985156508233 eV minimum distance = 2.62126653499866 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5157540557810669 Energy: 0.4729000941453533 Energy: 0.4729000941458214 Energy: 0.5511009148497008 Energy: 0.5355617524580769 Energy: 0.535561752458545 Energy: 0.4894752671348087 Energy: 0.5017003237782394 Energy: 0.5016928203600052 Energy: 0.46481523784081635 Energy: 0.5428529377080602 Energy: 0.5428529377118047 Energy: 0.5848003602905678 Energy: 0.5026836763049278 Energy: 0.5026836763016512 Energy: 0.46487612217968816 Energy: 0.5531783879335772 Energy: 0.5531782822527636 Energy: 0.4892598669773395 Energy: 0.5000813567238312 Energy: 0.5000813567252352 Energy: 0.5116598373189707 Energy: 0.5071406580808765 Energy: 0.5071406580813446 Energy: 0.4854210691052197 Energy: 0.472779057656881 Energy: 0.4727790576344354 Energy: 0.5716836035332551 Energy: 0.49664782044666494 Energy: 0.49664782045368583 minimum gb energy = 0.46481523784081635 eV minimum distance = 2.60029923909156 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5363572190880561 Energy: 0.5001288835424056 Energy: 0.5001288835431241 Energy: 0.4724247558762478 Energy: 0.5311511974050339 Energy: 0.5311511973393189 Energy: 0.49159741874454244 Energy: 0.5264297808290209 Energy: 0.5264297808286617 Energy: 0.49356562240041 Energy: 0.4941550096633466 Energy: 0.4941550096737656 Energy: 0.5686440851402502 Energy: 0.5241745272633856 Energy: 0.5241745272716491 Energy: 0.49356731205545185 Energy: 0.4941645290560228 Energy: 0.4941645290578192 Energy: 0.4916313837701898 Energy: 0.5263763668574636 Energy: 0.526376366855308 Energy: 0.471687583698346 Energy: 0.5311227562127026 Energy: 0.5311227486855956 Energy: 0.5364234750666919 Energy: 0.5001229330456827 Energy: 0.5001229330453235 Energy: 0.4724073080925586 Energy: 0.5311715877700365 Energy: 0.5311715877693178 minimum gb energy = 0.471687583698346 eV minimum distance = 2.53585396484484 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.4462979238525609 Energy: 0.4463035944873417 Energy: 0.4463041895989924 Energy: 0.5154597526430068 Energy: 0.456946010448589 Energy: 0.4569470230960361 Energy: 0.45243715602102547 Energy: 0.46444210223566645 Energy: 0.4644296361436473 Energy: 0.525421110997936 Energy: 0.4574434499731783 Energy: 0.45744344997626896 Energy: 0.44628829491444194 Energy: 0.4462887338633499 Energy: 0.4462888639868581 Energy: 0.5157371712893852 Energy: 0.4570453500702014 Energy: 0.45704214778324254 Energy: 0.45212282878818716 Energy: 0.464445343720467 Energy: 0.464443506569713 Energy: 0.5254585621449244 Energy: 0.47871796507787934 Energy: 0.4787184321882906 Energy: 0.44721877604499316 Energy: 0.4462905598804814 Energy: 0.4463028754214005 Energy: 0.5168486224457459 Energy: 0.47885921421622396 Energy: 0.47885918299171104 minimum gb energy = 0.44628829491444194 eV minimum distance = 2.5957900740703 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.519583930834318 Energy: 0.5056883924595852 Energy: 0.505688392457613 Energy: 0.5894012410052917 Energy: 0.5025643313703504 Energy: 0.5025843598514083 Energy: 0.501225461423326 Energy: 0.5192949334620778 Energy: 0.51929493341806 Energy: 0.5012652552061332 Energy: 0.5053641432093826 Energy: 0.5053641432014935 Energy: 0.5017617129565207 Energy: 0.5373160137323139 Energy: 0.5373162021390526 Energy: 0.5015544759355788 Energy: 0.5173334111148691 Energy: 0.5173334111046789 Energy: 0.6086308492441572 Energy: 0.5417918388269122 Energy: 0.5417918388853934 Energy: 0.5054726574393312 Energy: 0.5235241032190346 Energy: 0.5235241032177198 Energy: 0.5928663942642056 Energy: 0.509712280691638 Energy: 0.509712280691638 Energy: 0.5017407451459218 Energy: 0.508065421486275 Energy: 0.5080654213988669 minimum gb energy = 0.501225461423326 eV minimum distance = 2.58890431079677 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5298602564655689 Energy: 0.5147731196362746 Energy: 0.5147731196487995 Energy: 0.47980997300427486 Energy: 0.5079506636817902 Energy: 0.5079506636676143 Energy: 0.4785890102909272 Energy: 0.5093640705919597 Energy: 0.5093640705915612 Energy: 0.4750622943686097 Energy: 0.52727999395738 Energy: 0.5272798196971454 Energy: 0.5098245834239449 Energy: 0.5169273238350832 Energy: 0.5169273238012847 Energy: 0.5505709276828364 Energy: 0.5119908632547613 Energy: 0.5120259834502081 Energy: 0.6099577147531957 Energy: 0.4764762629102856 Energy: 0.4764762629102856 Energy: 0.5609182208516619 Energy: 0.47640733887822057 Energy: 0.476407338879473 Energy: 0.5669111425831467 Energy: 0.5089210868213601 Energy: 0.5089210868180201 Energy: 0.5443705756057351 Energy: 0.5128337659853512 Energy: 0.5128337659845162 minimum gb energy = 0.4750622943686097 eV minimum distance = 2.55781543436903 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.4904585622027062 Energy: 0.5400946264323193 Energy: 0.5400946260029974 Energy: 0.5941168062655915 Energy: 0.4863188969092975 Energy: 0.48631889692988756 Energy: 0.5361165962917095 Energy: 0.5700923714112517 Energy: 0.5700923713632342 Energy: 0.48698061563834677 Energy: 0.5187812609351694 Energy: 0.5187812609357414 Energy: 0.5366998393976425 Energy: 0.5385849313239713 Energy: 0.5385683610340986 Energy: 0.4875252514287029 Energy: 0.5127902859370057 Energy: 0.5127620602007985 Energy: 0.6168366486736638 Energy: 0.5599524098164488 Energy: 0.5599524036056064 Energy: 0.4876114477329675 Energy: 0.5218308787669134 Energy: 0.5218308787600501 Energy: 0.5498257259374613 Energy: 0.510310216795356 Energy: 0.5103102168530964 Energy: 0.48689822254424975 Energy: 0.5102406428784729 Energy: 0.5102406428950593 minimum gb energy = 0.4863188969092975 eV minimum distance = 2.5530101444002 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5337017306973287 Energy: 0.52045371398805 Energy: 0.5204537139943652 Energy: 0.5061020289575816 Energy: 0.5168067020384954 Energy: 0.5168067020381445 Energy: 0.5062268926459632 Energy: 0.5050450069210128 Energy: 0.5050449571239791 Energy: 0.48803616989691495 Energy: 0.5204637422812571 Energy: 0.5204637423250807 Energy: 0.5233843044016034 Energy: 0.5155556511202767 Energy: 0.515555651110453 Energy: 0.48733851082047414 Energy: 0.4861255425011397 Energy: 0.48612554271786557 Energy: 0.4850540403061925 Energy: 0.5420004676847935 Energy: 0.5420004676918103 Energy: 0.5024248735859808 Energy: 0.5149585498875493 Energy: 0.5149585499043897 Energy: 0.502974135265296 Energy: 0.48614449817182537 Energy: 0.4861444981746321 Energy: 0.48494898311421764 Energy: 0.5467183683428926 Energy: 0.5467183683435942 minimum gb energy = 0.48494898311421764 eV minimum distance = 2.57721746024172 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5197846351297569 Energy: 0.5137414513322242 Energy: 0.5137414513295019 Energy: 0.4844366555358415 Energy: 0.5131748748153347 Energy: 0.5131748746257632 Energy: 0.488954861862541 Energy: 0.5211371233547555 Energy: 0.5211371200604136 Energy: 0.4842019643330111 Energy: 0.5112026238229623 Energy: 0.5112026238066492 Energy: 0.5921989558476212 Energy: 0.4852166849982816 Energy: 0.48521668883593 Energy: 0.5439974013424154 Energy: 0.5093221359047292 Energy: 0.5093221359029143 Energy: 0.5302306655337808 Energy: 0.48552965921964963 Energy: 0.4855296592205571 Energy: 0.5150950858307597 Energy: 0.48552226033322327 Energy: 0.48552226033322327 Energy: 0.5157162282726573 Energy: 0.5229635963207985 Energy: 0.5229635963235209 Energy: 0.4828117850838534 Energy: 0.538780778106814 Energy: 0.5387807780995546 minimum gb energy = 0.4828117850838534 eV minimum distance = 2.54484921510861 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.49987175920694266 Energy: 0.49409948788451413 Energy: 0.49409942480393476 Energy: 0.4864881525962541 Energy: 0.4999212603878492 Energy: 0.4999212603908564 Energy: 0.5702169795924361 Energy: 0.4859824571746707 Energy: 0.4859824572095952 Energy: 0.4937312279855532 Energy: 0.521168713956251 Energy: 0.5211687139404632 Energy: 0.48596626288772643 Energy: 0.4980634024041994 Energy: 0.49806340239743324 Energy: 0.48590243864576277 Energy: 0.5396294592781706 Energy: 0.5396294593014421 Energy: 0.4946644635508935 Energy: 0.495833818984897 Energy: 0.49583381901681434 Energy: 0.5985360362875621 Energy: 0.48791725652064205 Energy: 0.4879583899031176 Energy: 0.49478823254459303 Energy: 0.5462819214639367 Energy: 0.5462819880801562 Energy: 0.48584701874438924 Energy: 0.5384938553552726 Energy: 0.5384938553530173 minimum gb energy = 0.48584701874438924 eV minimum distance = 2.53610992834113 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.49953804921982875 Energy: 0.49719841953626975 Energy: 0.4972857081600153 Energy: 0.49825478023247344 Energy: 0.49635821170674305 Energy: 0.49635821167337707 Energy: 0.535945566248884 Energy: 0.4962542064536001 Energy: 0.4962542064709247 Energy: 0.48400646635384864 Energy: 0.49925971134805275 Energy: 0.49925931999044715 Energy: 0.49905224952167987 Energy: 0.5142779286476032 Energy: 0.5142778777318996 Energy: 0.5516306734631073 Energy: 0.4868707217404959 Energy: 0.4868707217392126 Energy: 0.4839960342897781 Energy: 0.49724053472146246 Energy: 0.4972405346842465 Energy: 0.486931340637907 Energy: 0.5403219839228216 Energy: 0.540326699106888 Energy: 0.5891332007054085 Energy: 0.4968030679925659 Energy: 0.49680306801820295 Energy: 0.484534891019694 Energy: 0.5172662901421158 Energy: 0.5172662901260745 minimum gb energy = 0.4839960342897781 eV minimum distance = 2.55391907461909 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5054653817844447 Energy: 0.5051279048601476 Energy: 0.5051279048457589 Energy: 0.4937539501021137 Energy: 0.5376619621401502 Energy: 0.537661962054358 Energy: 0.5223836025980515 Energy: 0.4909525416671634 Energy: 0.49095254166517877 Energy: 0.49320349048483164 Energy: 0.5261868012496638 Energy: 0.526186801256114 Energy: 0.4909099861832774 Energy: 0.49492817477719925 Energy: 0.49492802210207953 Energy: 0.5209017622267217 Energy: 0.4931006005795379 Energy: 0.4930998467376317 Energy: 0.49797502571898766 Energy: 0.49742855921866064 Energy: 0.4974285592563696 Energy: 0.49171914374742665 Energy: 0.5383193037079577 Energy: 0.5383193035948765 Energy: 0.503699786473907 Energy: 0.5369220224281401 Energy: 0.5369220224271477 Energy: 0.5549645506528477 Energy: 0.5288441120472153 Energy: 0.5288441120685505 minimum gb energy = 0.4909099861832774 eV minimum distance = 2.53475598452395 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.4954302207848988 Energy: 0.4987771719790703 Energy: 0.498777171980688 Energy: 0.4888822927084661 Energy: 0.530318071288107 Energy: 0.5303180712856805 Energy: 0.4936864633970977 Energy: 0.5241109311355001 Energy: 0.5241109311072086 Energy: 0.48406427413889835 Energy: 0.5244639843091854 Energy: 0.5244639843108031 Energy: 0.5268384517271546 Energy: 0.48474398567447924 Energy: 0.4847439856777147 Energy: 0.522325718425273 Energy: 0.492735737091984 Energy: 0.4927357370745937 Energy: 0.48421335223910833 Energy: 0.4925569508292775 Energy: 0.4925510827863007 Energy: 0.4844507336022383 Energy: 0.49137534358887464 Energy: 0.4913753435913012 Energy: 0.48220373868870764 Energy: 0.5537838447624399 Energy: 0.5537838447551604 Energy: 0.48440747735840617 Energy: 0.4948764113329441 Energy: 0.49487641132121574 minimum gb energy = 0.48220373868870764 eV minimum distance = 2.55281886392785 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.4958175747436003 Energy: 0.5007644326116054 Energy: 0.5007644326221857 Energy: 0.5332890869227187 Energy: 0.4900346612232419 Energy: 0.4900346612225593 Energy: 0.4863320903435206 Energy: 0.5254767132452427 Energy: 0.5254977094132127 Energy: 0.5799766693280175 Energy: 0.4858980117306771 Energy: 0.4858980117293118 Energy: 0.48998385875302713 Energy: 0.5277675153584164 Energy: 0.5277675153724096 Energy: 0.49836549637142596 Energy: 0.48730439611857407 Energy: 0.4873043960254298 Energy: 0.48604114439502305 Energy: 0.5402767012739711 Energy: 0.540276704160418 Energy: 0.48711454600635584 Energy: 0.49036779834219807 Energy: 0.49036779834117417 Energy: 0.4858350829592987 Energy: 0.49372153135235086 Energy: 0.4937215313530334 Energy: 0.49782073950832983 Energy: 0.48740776654159595 Energy: 0.48740776654091333 minimum gb energy = 0.4858350829592987 eV minimum distance = 2.55787398569639 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.49629351534959887 Energy: 0.5021714637067153 Energy: 0.5021714637093722 Energy: 0.48869314367627675 Energy: 0.5021464597463706 Energy: 0.5021464597472562 Energy: 0.4854932503675496 Energy: 0.5255188792079069 Energy: 0.5255188791919653 Energy: 0.48528559476024485 Energy: 0.5177254502964748 Energy: 0.5177254957147501 Energy: 0.48476026936637645 Energy: 0.48651893369802307 Energy: 0.4865189336879857 Energy: 0.4948691907987462 Energy: 0.4863194651285339 Energy: 0.4863194651987684 Energy: 0.5177294000001341 Energy: 0.48812462105393484 Energy: 0.488124631475132 Energy: 0.5302223722986468 Energy: 0.49241307876840973 Energy: 0.4924130787444972 Energy: 0.48981062190123886 Energy: 0.4922198346226736 Energy: 0.4922198346167694 Energy: 0.49711809615417296 Energy: 0.48633248731944617 Energy: 0.48636654787579336 minimum gb energy = 0.48476026936637645 eV minimum distance = 2.55688355888284 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.473963526560112 Energy: 0.4745007692503739 Energy: 0.4745007679276887 Energy: 0.4595807223492681 Energy: 0.4739638696792075 Energy: 0.47396316198322447 Energy: 0.46917473079627 Energy: 0.4749011933817541 Energy: 0.4749011933848087 Energy: 0.47396318273744364 Energy: 0.45976726764297543 Energy: 0.4597672676613278 Energy: 0.4739631895235652 Energy: 0.4739632549562366 Energy: 0.47396415391692265 Energy: 0.46503670088846444 Energy: 0.47500665886845134 Energy: 0.47500665886365834 Energy: 0.4601711461209557 Energy: 0.4963775446394449 Energy: 0.49637754460952 Energy: 0.4652814809136599 Energy: 0.4740286981188976 Energy: 0.47402869723247176 Energy: 0.4647343605462926 Energy: 0.4739637223885147 Energy: 0.47396367922252924 Energy: 0.45998241521978356 Energy: 0.4964654639729144 Energy: 0.49646546397356006 minimum gb energy = 0.4595807223492681 eV minimum distance = 2.59483985709265 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.48275104519665607 Energy: 0.48937056266946183 Energy: 0.4893705626726238 Energy: 0.47320059079080046 Energy: 0.5048894541628474 Energy: 0.5048894542708772 Energy: 0.46797396247322653 Energy: 0.490271232192596 Energy: 0.49027123223856217 Energy: 0.4688611256988721 Energy: 0.4685111226403719 Energy: 0.46851095686890804 Energy: 0.4861612019943256 Energy: 0.46649587792660185 Energy: 0.46649587790331815 Energy: 0.5052003197411801 Energy: 0.4667931806451531 Energy: 0.4667931805914256 Energy: 0.46716347095816035 Energy: 0.4791387538887733 Energy: 0.4791387538729634 Energy: 0.4650797466823582 Energy: 0.47478792337496356 Energy: 0.47478792343875187 Energy: 0.4649878966027896 Energy: 0.4780944836138505 Energy: 0.4780944835282158 Energy: 0.46512266884365644 Energy: 0.5376567907247383 Energy: 0.5376567907807653 minimum gb energy = 0.4649878966027896 eV minimum distance = 2.57501218178955 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.4762346863685553 Energy: 0.4899736874385188 Energy: 0.4899736875996102 Energy: 0.4679047590274148 Energy: 0.46674839555211817 Energy: 0.46674839554453595 Energy: 0.4842261059292465 Energy: 0.4647100691737133 Energy: 0.46471006923494257 Energy: 0.4643098945201414 Energy: 0.4757798907819887 Energy: 0.47577988495522905 Energy: 0.4641389627600981 Energy: 0.5081919452856176 Energy: 0.5081863268983825 Energy: 0.5056800050958553 Energy: 0.48191962924654 Energy: 0.4819196292544833 Energy: 0.4623595303520485 Energy: 0.49907539590566063 Energy: 0.4990753959083084 Energy: 0.4623836045633162 Energy: 0.4857386746631642 Energy: 0.4857386746204693 Energy: 0.46579773470785657 Energy: 0.47147614897611023 Energy: 0.4714694605331723 Energy: 0.47326805611883704 Energy: 0.4673709927636408 Energy: 0.4673709927586763 minimum gb energy = 0.4623595303520485 eV minimum distance = 2.57691979649171 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.47304898501486264 Energy: 0.48749980992197667 Energy: 0.4874998099231466 Energy: 0.4595276726436931 Energy: 0.461741478585695 Energy: 0.461741478613385 Energy: 0.46209592787657866 Energy: 0.48907461466530894 Energy: 0.48907461176461037 Energy: 0.46618557029705027 Energy: 0.49232353601478224 Energy: 0.49232353601517226 Energy: 0.4595108552515464 Energy: 0.4840412267296239 Energy: 0.48404122674286626 Energy: 0.49266545069105405 Energy: 0.46218413384258 Energy: 0.4621833193333134 Energy: 0.4615201200425619 Energy: 0.4671002852830158 Energy: 0.46710028515048657 Energy: 0.45777229311338163 Energy: 0.513022161042918 Energy: 0.513022145852918 Energy: 0.4582342431495483 Energy: 0.4662558591526722 Energy: 0.4662558591729522 Energy: 0.4571440883041658 Energy: 0.4698393837779654 Energy: 0.46983938377757545 minimum gb energy = 0.4571440883041658 eV minimum distance = 2.56270404326118 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.4693165211343326 Energy: 0.4827854775330539 Energy: 0.48278557601121946 Energy: 0.4567576400675975 Energy: 0.46119979609955425 Energy: 0.46119979610192746 Energy: 0.4536281241275905 Energy: 0.46120767699789045 Energy: 0.46120767700166604 Energy: 0.45639941816569535 Energy: 0.4717605815573577 Energy: 0.4717605815777671 Energy: 0.5160334934742402 Energy: 0.45896245396769786 Energy: 0.4589624539681725 Energy: 0.5206468468674421 Energy: 0.45111097854725063 Energy: 0.4511109785444028 Energy: 0.47542040871704105 Energy: 0.45346847249042427 Energy: 0.4534684724875765 Energy: 0.4492360606678008 Energy: 0.459007910356289 Energy: 0.4590079103505933 Energy: 0.4566868500953067 Energy: 0.46124848509255556 Energy: 0.4612484850901824 Energy: 0.4570238041292126 Energy: 0.5014561995040845 Energy: 0.5014561995083562 minimum gb energy = 0.4492360606678008 eV minimum distance = 2.58737782468369 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.46879085799481224 Energy: 0.47457360013523026 Energy: 0.47457360011159155 Energy: 0.45929946378130354 Energy: 0.4593528816257373 Energy: 0.45935288162755566 Energy: 0.45535805579310906 Energy: 0.4767893391069401 Energy: 0.47678933911724414 Energy: 0.49355933652517936 Energy: 0.4500771112414064 Energy: 0.45007711125292266 Energy: 0.4469363202049875 Energy: 0.5056006794911796 Energy: 0.5056006794378686 Energy: 0.45893786146228477 Energy: 0.45602228693030844 Energy: 0.45602228693091457 Energy: 0.4474240892153461 Energy: 0.48865093205506455 Energy: 0.48865093209325006 Energy: 0.45478018968428097 Energy: 0.4717256064397629 Energy: 0.4717256065360808 Energy: 0.4501314695505054 Energy: 0.49009607302370234 Energy: 0.49009607302430835 Energy: 0.5354357390293261 Energy: 0.45370048691275705 Energy: 0.45370048692790993 minimum gb energy = 0.4469363202049875 eV minimum distance = 2.5602597494318 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.4693568136338789 Energy: 0.4608807941924419 Energy: 0.46089952329474876 Energy: 0.4509483314667145 Energy: 0.45705574983727665 Energy: 0.4570557499128713 Energy: 0.44171767199979806 Energy: 0.4562710652340092 Energy: 0.45627106514504795 Energy: 0.4525416784999442 Energy: 0.4553675764106371 Energy: 0.45536757641485803 Energy: 0.48324155724672047 Energy: 0.46971622660527335 Energy: 0.4697162266267301 Energy: 0.4398846783038995 Energy: 0.5262261608282788 Energy: 0.5262261611640738 Energy: 0.49656531760628647 Energy: 0.44965484160228625 Energy: 0.4496548416128388 Energy: 0.4398972289838674 Energy: 0.49748810499468893 Energy: 0.49748810317415015 Energy: 0.44006724308739564 Energy: 0.45256104866492447 Energy: 0.452561048664221 Energy: 0.46108152160649796 Energy: 0.45426256394730496 Energy: 0.45426256394730496 minimum gb energy = 0.4398846783038995 eV minimum distance = 2.55840707686469 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.4500935189331955 Energy: 0.45061325454553547 Energy: 0.45061325454553547 Energy: 0.4214337698591297 Energy: 0.4677384462384976 Energy: 0.46773844625023037 Energy: 0.42300027261810724 Energy: 0.4727558691773139 Energy: 0.4727558691898848 Energy: 0.4212561206365321 Energy: 0.42935035598366 Energy: 0.4293503560020782 Energy: 0.45030303547234307 Energy: 0.449332195775865 Energy: 0.4493321948745118 Energy: 0.43480472247926455 Energy: 0.4294639772875201 Energy: 0.4294639772992529 Energy: 0.4359831046718906 Energy: 0.42819218567515177 Energy: 0.42821356805354777 Energy: 0.45038040553369507 Energy: 0.4294078986115156 Energy: 0.4294078986148679 Energy: 0.4216914363457655 Energy: 0.4811660596591053 Energy: 0.4811661331017572 Energy: 0.4229765751469964 Energy: 0.4711187994383738 Energy: 0.47111879567212994 minimum gb energy = 0.4212561206365321 eV minimum distance = 2.57166869272716 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.454793409434218 Energy: 0.4449309903349288 Energy: 0.4449155166532673 Energy: 0.4284189839992991 Energy: 0.4707634560749079 Energy: 0.47076345612482023 Energy: 0.42917976098903954 Energy: 0.4680812226760879 Energy: 0.4680812226748073 Energy: 0.4823499195570153 Energy: 0.43944071058431744 Energy: 0.4394407104883052 Energy: 0.46976930605673184 Energy: 0.4311024476248828 Energy: 0.4311024473378648 Energy: 0.4338021894104466 Energy: 0.4500691046604602 Energy: 0.4500691046614206 Energy: 0.44997108482906334 Energy: 0.438086624834079 Energy: 0.438086624834079 Energy: 0.4264830150920013 Energy: 0.5114787843919696 Energy: 0.5114787843916495 Energy: 0.4299978090667809 Energy: 0.5283888598107218 Energy: 0.5283878409424739 Energy: 0.42918091995581975 Energy: 0.4712334059826248 Energy: 0.4712334059823047 minimum gb energy = 0.4264830150920013 eV minimum distance = 2.58821086757501 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.44753687941552867 Energy: 0.4331504003084104 Energy: 0.43317280175519435 Energy: 0.4262906721455438 Energy: 0.4882523585402491 Energy: 0.488252358583713 Energy: 0.439472903067181 Energy: 0.4351416226912038 Energy: 0.4351416226135527 Energy: 0.43545910582418196 Energy: 0.42983025673612346 Energy: 0.4298302567340515 Energy: 0.4285551777245185 Energy: 0.48350273935928706 Energy: 0.4835027393577331 Energy: 0.4332428599676031 Energy: 0.44492256383957873 Energy: 0.4449225650164478 Energy: 0.4288791108091858 Energy: 0.44215649691921427 Energy: 0.44216027709089634 Energy: 0.49183679365990624 Energy: 0.43339938264114003 Energy: 0.43339938267843514 Energy: 0.4246904227975873 Energy: 0.43720939137285436 Energy: 0.4372093913707824 Energy: 0.4266066324500295 Energy: 0.4280524077032005 Energy: 0.4280524077798157 minimum gb energy = 0.4246904227975873 eV minimum distance = 2.57901877752275 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.46398035951139877 Energy: 0.43298745672029243 Energy: 0.4329874567195429 Energy: 0.43201095685065755 Energy: 0.4569006080767877 Energy: 0.45690060521804426 Energy: 0.4280621182425682 Energy: 0.42901739533526734 Energy: 0.42901739530903193 Energy: 0.460263247299168 Energy: 0.4223843824767941 Energy: 0.4223843824775436 Energy: 0.4196878750373679 Energy: 0.4564226743144203 Energy: 0.4564226743211665 Energy: 0.5133830071988967 Energy: 0.45974692963678854 Energy: 0.45974692963528935 Energy: 0.418185544837561 Energy: 0.4201186151590621 Energy: 0.4201186151841392 Energy: 0.43353774364891823 Energy: 0.42617071418988883 Energy: 0.4261707141925123 Energy: 0.4181545219180254 Energy: 0.42011902382993294 Energy: 0.4201190238291834 Energy: 0.4810071508550292 Energy: 0.4246610308796252 Energy: 0.42466098795653107 minimum gb energy = 0.4181545219180254 eV minimum distance = 2.5795347421439 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.4565274900253697 Energy: 0.4286835996741947 Energy: 0.4286835996736075 Energy: 0.4183022021717163 Energy: 0.4395324520846306 Energy: 0.4395345240625953 Energy: 0.41463399442391835 Energy: 0.4252252068786895 Energy: 0.4252252242293895 Energy: 0.4321254851370348 Energy: 0.4263246856869125 Energy: 0.42632468568485726 Energy: 0.4211623593141644 Energy: 0.42208041768489396 Energy: 0.4220804176828386 Energy: 0.4161928157038344 Energy: 0.4703267623165805 Energy: 0.47032770216440783 Energy: 0.4242468388007532 Energy: 0.4537206654756255 Energy: 0.4537193844377662 Energy: 0.4181131122478797 Energy: 0.47777357760407807 Energy: 0.47777357755886174 Energy: 0.4158046671421565 Energy: 0.4514149013622926 Energy: 0.4514148548218381 Energy: 0.46697778665264317 Energy: 0.4374764403594886 Energy: 0.4374764479184161 minimum gb energy = 0.41463399442391835 eV minimum distance = 2.52820685742224 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.393105311908769 Energy: 0.3930965033860824 Energy: 0.39310509375783553 Energy: 0.3933417193243589 Energy: 0.393128742466102 Energy: 0.39312599677848564 Energy: 0.39072688880506334 Energy: 0.40609260842261957 Energy: 0.4060922798821249 Energy: 0.3969811883102101 Energy: 0.4060346651723267 Energy: 0.4060346918725503 Energy: 0.39699742265820703 Energy: 0.40603463861164 Energy: 0.40603505059220063 Energy: 0.5540510295821783 Energy: 0.3970936113180951 Energy: 0.3970936113248717 Energy: 0.39690735273870614 Energy: 0.39754016491580185 Energy: 0.39754016491310656 Energy: 0.3930938955712739 Energy: 0.46106530031980913 Energy: 0.4610653003414789 Energy: 0.3932466984988067 Energy: 0.4061333072412021 Energy: 0.4061333074525403 Energy: 0.39322458052656384 Energy: 0.40603593023645823 Energy: 0.40603670124283386 minimum gb energy = 0.39072688880506334 eV minimum distance = 2.59800952540191 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.47036274423262214 Energy: 0.3976843430146847 Energy: 0.3976344860538837 Energy: 0.39025302555575836 Energy: 0.3991571027889682 Energy: 0.3991571028507524 Energy: 0.3984711336522993 Energy: 0.4692403738529249 Energy: 0.4692403738482889 Energy: 0.38765779381819737 Energy: 0.44131589536639154 Energy: 0.44130468263524636 Energy: 0.3908268957940334 Energy: 0.3974056314205807 Energy: 0.39740563146258495 Energy: 0.38700795901332424 Energy: 0.5006410409976481 Energy: 0.5006410410096734 Energy: 0.3856878134755422 Energy: 0.43077887694547934 Energy: 0.43077887696433204 Energy: 0.4001385993807823 Energy: 0.4282458806906786 Energy: 0.428245880698377 Energy: 0.39886573523892543 Energy: 0.4664020636174564 Energy: 0.4664020636295098 Energy: 0.45252591267117187 Energy: 0.4274849502745324 Energy: 0.4274849502693065 minimum gb energy = 0.3856878134755422 eV minimum distance = 2.51963889056214 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.40597292153511383 Energy: 0.3874996188110654 Energy: 0.3874996188434742 Energy: 0.38037267512668677 Energy: 0.3961051904116732 Energy: 0.3961051904116732 Energy: 0.3886772389185833 Energy: 0.3900357756361939 Energy: 0.3900357756385959 Energy: 0.37922178260080586 Energy: 0.4293800906008318 Energy: 0.42938009056920556 Energy: 0.48112670199666613 Energy: 0.3845802285082638 Energy: 0.38463113426912293 Energy: 0.3886744665056894 Energy: 0.3979652387031466 Energy: 0.39796523866793543 Energy: 0.38004799300732567 Energy: 0.3843036350865866 Energy: 0.38430363508698684 Energy: 0.43153276277920155 Energy: 0.38765580059276805 Energy: 0.38765580059316834 Energy: 0.38551585970316327 Energy: 0.4009048422652523 Energy: 0.40090484230646845 Energy: 0.37881167721645115 Energy: 0.47352881435297234 Energy: 0.47352881435455546 minimum gb energy = 0.37881167721645115 eV minimum distance = 2.53475665958346 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.39242418806032797 Energy: 0.37852809670133025 Energy: 0.37852809669564963 Energy: 0.3699032154049541 Energy: 0.4395918699915356 Energy: 0.4395918699892633 Energy: 0.3700519684762699 Energy: 0.3830095073814757 Energy: 0.3830106091661038 Energy: 0.37835321187908477 Energy: 0.3849640649099358 Energy: 0.3849529130753696 Energy: 0.4435831423621516 Energy: 0.44984967106612805 Energy: 0.4498496709003043 Energy: 0.36987077637467786 Energy: 0.3837119489502081 Energy: 0.3837119489513442 Energy: 0.3800823466903653 Energy: 0.40679580012913835 Energy: 0.406795410487757 Energy: 0.5095987552782781 Energy: 0.44996949684498905 Energy: 0.4499694968631671 Energy: 0.3771894921614051 Energy: 0.3776702098445297 Energy: 0.37767020983998517 Energy: 0.3798489616139637 Energy: 0.4058576473543548 Energy: 0.40585764735321866 minimum gb energy = 0.36987077637467786 eV minimum distance = 2.60316758907964 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.4580432078433296 Energy: 0.38096900088234276 Energy: 0.38096900095991393 Energy: 0.35919084145349744 Energy: 0.37469963301204506 Energy: 0.3746997071844772 Energy: 0.365345940585085 Energy: 0.49316331227587157 Energy: 0.49316331227515303 Energy: 0.3663765871499108 Energy: 0.4530272862762979 Energy: 0.45302728627450156 Energy: 0.36196043953603896 Energy: 0.41152677384716263 Energy: 0.4115265589482292 Energy: 0.4519500937899308 Energy: 0.4149646389732922 Energy: 0.4149646389732922 Energy: 0.36732863952716294 Energy: 0.41340121494041404 Energy: 0.4134012149479588 Energy: 0.5210230936165786 Energy: 0.3680901004354308 Energy: 0.3680901005812317 Energy: 0.3662693642106849 Energy: 0.3820575599058952 Energy: 0.38206680945507066 Energy: 0.36559629450672787 Energy: 0.40116789504316364 Energy: 0.4011678950435229 minimum gb energy = 0.35919084145349744 eV minimum distance = 2.60236466167567 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.4383995501371063 Energy: 0.37062070616715054 Energy: 0.37062070617579607 Energy: 0.36088467299489896 Energy: 0.43369603674865437 Energy: 0.43369603676384383 Energy: 0.43007863745479974 Energy: 0.4020500237658645 Energy: 0.40205002375955945 Energy: 0.36858271096332496 Energy: 0.44161888900688395 Energy: 0.4416188890152906 Energy: 0.3666339954525075 Energy: 0.3958670918524228 Energy: 0.39586709194800157 Energy: 0.3669825438248353 Energy: 0.47888401043981865 Energy: 0.4788840104687168 Energy: 0.3649453954376736 Energy: 0.43238728430740664 Energy: 0.43238728430740664 Energy: 0.4286139845749008 Energy: 0.4007294787823556 Energy: 0.4007286066915939 Energy: 0.36831515011561033 Energy: 0.42577168921111147 Energy: 0.42577792199299563 Energy: 0.43005961954422284 Energy: 0.40204932893726886 Energy: 0.4020493289246587 minimum gb energy = 0.36088467299489896 eV minimum distance = 2.53117837181607 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4164742247434619 Energy: 0.35272249946802786 Energy: 0.35272249946802786 Energy: 0.35519962858939225 Energy: 0.3748070204312092 Energy: 0.3748070204321865 Energy: 0.3467474751677044 Energy: 0.3527979653816009 Energy: 0.35279796537964625 Energy: 0.35116375302370956 Energy: 0.45968378107274255 Energy: 0.4596837810717652 Energy: 0.34333978381273406 Energy: 0.3949115486512152 Energy: 0.39491154866098865 Energy: 0.35271720098913406 Energy: 0.3581344627683544 Energy: 0.3581344613772247 Energy: 0.3966889500095264 Energy: 0.3982858070985437 Energy: 0.39828572082129043 Energy: 0.4163670158349423 Energy: 0.3581342589011345 Energy: 0.35813458908010853 Energy: 0.3966598484762035 Energy: 0.35813423349869555 Energy: 0.35813430103502425 Energy: 0.34645076307153455 Energy: 0.40927347711905876 Energy: 0.4092734771122174 minimum gb energy = 0.34333978381273406 eV minimum distance = 2.53011765018657 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4179926910635804 Energy: 0.34846623551628253 Energy: 0.3484662355165804 Energy: 0.3371336707556531 Energy: 0.38232708422947276 Energy: 0.3823270842544732 Energy: 0.3467601063944182 Energy: 0.3764589032820306 Energy: 0.37645890328501 Energy: 0.3327322268365579 Energy: 0.4443659013514519 Energy: 0.444365901350856 Energy: 0.3407119427881814 Energy: 0.41900593057719543 Energy: 0.4190059305783872 Energy: 0.3502641029326161 Energy: 0.3434663087790847 Energy: 0.3434663088279209 Energy: 0.3327212392199002 Energy: 0.4120283235387636 Energy: 0.4120283235372738 Energy: 0.5350045724861345 Energy: 0.37369247825086194 Energy: 0.3736950789883223 Energy: 0.335774188767274 Energy: 0.41388202030725396 Energy: 0.4138820203016201 Energy: 0.3393207105288389 Energy: 0.35123035881277503 Energy: 0.35123035881605247 minimum gb energy = 0.3327212392199002 eV minimum distance = 2.6060644848048 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.4336173144138287 Energy: 0.34096647254039014 Energy: 0.3409664725125512 Energy: 0.3258627502414691 Energy: 0.3475254325560755 Energy: 0.3475254325573612 Energy: 0.3204211112077014 Energy: 0.4247408146089169 Energy: 0.4247868165755007 Energy: 0.33573880774019377 Energy: 0.4277286035077932 Energy: 0.42772860352365105 Energy: 0.33554399454081996 Energy: 0.34898504865576563 Energy: 0.34898504862664087 Energy: 0.3263319732470559 Energy: 0.3940312074830322 Energy: 0.3940312074860324 Energy: 0.32963330765211946 Energy: 0.3276348938746884 Energy: 0.3276065503391543 Energy: 0.4332695471781787 Energy: 0.42803849864860866 Energy: 0.42803849864903726 Energy: 0.32635948907919576 Energy: 0.38191167355939165 Energy: 0.3819116735902307 Energy: 0.3262446245216203 Energy: 0.48682917090558636 Energy: 0.4868291709184246 minimum gb energy = 0.3204211112077014 eV minimum distance = 2.52526338047156 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.4550693927449273 Energy: 0.3342627230598913 Energy: 0.3342003845162993 Energy: 0.3195427286131849 Energy: 0.3921179221684857 Energy: 0.3921179073598118 Energy: 0.33025038385855826 Energy: 0.3338086379927467 Energy: 0.3338086380349643 Energy: 0.3270496238262089 Energy: 0.32570472744117857 Energy: 0.32570473163423813 Energy: 0.3272632999943382 Energy: 0.33971452659072 Energy: 0.33972333225602597 Energy: 0.39532427350616894 Energy: 0.35750289086588716 Energy: 0.35750289086588716 Energy: 0.3266095381730102 Energy: 0.361272085730344 Energy: 0.36127208649190645 Energy: 0.5124958509123548 Energy: 0.3574941586049489 Energy: 0.35749415860464945 Energy: 0.3265453367844531 Energy: 0.4316614880162933 Energy: 0.43166148805002735 Energy: 0.38575782957681964 Energy: 0.357295434698847 Energy: 0.35729543469829805 minimum gb energy = 0.3195427286131849 eV minimum distance = 2.52797906636656 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.33138362449618236 Energy: 0.31300533895458355 Energy: 0.3130058392707175 Energy: 0.312105658073608 Energy: 0.4006266487380661 Energy: 0.4006266487487158 Energy: 0.41061320102115323 Energy: 0.31303790525397784 Energy: 0.3130212421091791 Energy: 0.313005490245933 Energy: 0.5013556174121911 Energy: 0.5013556174152438 Energy: 0.3130054683968149 Energy: 0.34624537269988376 Energy: 0.34624537269912065 Energy: 0.3021475430840588 Energy: 0.49037082769366924 Energy: 0.49034946064050666 Energy: 0.3121729685161876 Energy: 0.3131313827736674 Energy: 0.31313555844084806 Energy: 0.3310266411838727 Energy: 0.4368512325040177 Energy: 0.4368512324956228 Energy: 0.3121062225005969 Energy: 0.3122454923701316 Energy: 0.3123900916170174 Energy: 0.30212119376134344 Energy: 0.31230140944736184 Energy: 0.31230140944812507 minimum gb energy = 0.30212119376134344 eV minimum distance = 2.60922028784365 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.4077782557796552 Energy: 0.31051798309908923 Energy: 0.3105241994540946 Energy: 0.29281547817570697 Energy: 0.38892374714519684 Energy: 0.3889237471476036 Energy: 0.2889460528028044 Energy: 0.3999845959793969 Energy: 0.3999845959797407 Energy: 0.3987574654967087 Energy: 0.3414727940395367 Energy: 0.3414727941144595 Energy: 0.39324495028149714 Energy: 0.34320204746807753 Energy: 0.34320204745604366 Energy: 0.30037927783183793 Energy: 0.3063440667704482 Energy: 0.30634406599546365 Energy: 0.29777265260327895 Energy: 0.33953067123544706 Energy: 0.33953067123785385 Energy: 0.4728296392090487 Energy: 0.36282486071341463 Energy: 0.36282486070034925 Energy: 0.3186423458175708 Energy: 0.2978764255897671 Energy: 0.29787642560283256 Energy: 0.28893467174837234 Energy: 0.394138529729455 Energy: 0.3941385301119462 minimum gb energy = 0.28893467174837234 eV minimum distance = 2.52069742963569 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.42111219999942456 Energy: 0.2856941729822326 Energy: 0.2856941729803556 Energy: 0.35459043622363406 Energy: 0.28561263838220907 Energy: 0.28561263837595235 Energy: 0.2826473475038776 Energy: 0.31804543287135845 Energy: 0.3180454328719841 Energy: 0.27710574709801694 Energy: 0.29132062826816135 Energy: 0.2913224002575468 Energy: 0.2809815759310601 Energy: 0.2913412814695539 Energy: 0.2913412812600376 Energy: 0.2805798822438845 Energy: 0.29139792440879914 Energy: 0.2913979244131789 Energy: 0.28045309245565425 Energy: 0.35631807833044504 Energy: 0.35631807829480994 Energy: 0.4211130881908536 Energy: 0.3560420646068734 Energy: 0.35604206463377747 Energy: 0.4211113060204015 Energy: 0.35597003639753005 Energy: 0.3559700363969044 Energy: 0.2810854688027054 Energy: 0.3031756235354833 Energy: 0.303175623536109 minimum gb energy = 0.27710574709801694 eV minimum distance = 2.60982697460404 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.4062688109458392 Energy: 0.2816284746472188 Energy: 0.28162847463028834 Energy: 0.32902229067951544 Energy: 0.34218538493217027 Energy: 0.3421853849290138 Energy: 0.2693616801772164 Energy: 0.28359513950081133 Energy: 0.28359513949765475 Energy: 0.2775039188759731 Energy: 0.2835600282952994 Energy: 0.2835600282540038 Energy: 0.40794282562991335 Energy: 0.3047664003482236 Energy: 0.30476640035166713 Energy: 0.27310820415707493 Energy: 0.28049437800836236 Energy: 0.2804943780642928 Energy: 0.26587371176373187 Energy: 0.4124700197237881 Energy: 0.41247001971948377 Energy: 0.4630980418506865 Energy: 0.34234019555642997 Energy: 0.3423401955601603 Energy: 0.27278111769348856 Energy: 0.3076902274619124 Energy: 0.3076902274765471 Energy: 0.2638633072185787 Energy: 0.40145689111123395 Energy: 0.4014568911077904 minimum gb energy = 0.2638633072185787 eV minimum distance = 2.528974009582 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.3823230805406526 Energy: 0.26756695730279484 Energy: 0.2675669578469009 Energy: 0.2643597765352775 Energy: 0.2748221103574374 Energy: 0.2748220978302773 Energy: 0.25729378772487427 Energy: 0.38528916589962797 Energy: 0.385289165900158 Energy: 0.253876963163363 Energy: 0.3751078276311123 Energy: 0.3751077763469485 Energy: 0.2572925466212325 Energy: 0.31950685682401525 Energy: 0.3195068568362061 Energy: 0.25779005510218156 Energy: 0.274443129275859 Energy: 0.2744431292822194 Energy: 0.26434519749807744 Energy: 0.26910801185239697 Energy: 0.2691080118470966 Energy: 0.3825326696126211 Energy: 0.274590922279528 Energy: 0.2745910798809159 Energy: 0.3361147271726732 Energy: 0.3783979050764477 Energy: 0.37841049264535637 Energy: 0.26179213712169075 Energy: 0.25733161939829496 Energy: 0.25731626907886346 minimum gb energy = 0.253876963163363 eV minimum distance = 2.60318466665355 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.43719780225384913 Energy: 0.26294583114115905 Energy: 0.26294583109935193 Energy: 0.25189787989183265 Energy: 0.3060959113528189 Energy: 0.3060936973417323 Energy: 0.25117875765862974 Energy: 0.2612120596592435 Energy: 0.2612120601267767 Energy: 0.3221262327649253 Energy: 0.267339537230836 Energy: 0.26733953728253546 Energy: 0.32213121201302347 Energy: 0.28789081451321374 Energy: 0.28789081447633025 Energy: 0.24979155657963456 Energy: 0.28786245807762884 Energy: 0.28786245801120286 Energy: 0.26344051892871756 Energy: 0.2882617185711869 Energy: 0.2882617185834515 Energy: 0.47882171271342683 Energy: 0.3368767548793262 Energy: 0.33687675487440244 Energy: 0.31560257558245475 Energy: 0.3675125892439385 Energy: 0.3675125892390147 Energy: 0.24553958907198667 Energy: 0.302068271625874 Energy: 0.3020682716160265 minimum gb energy = 0.24553958907198667 eV minimum distance = 2.53204040404066 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.3830039628775331 Energy: 0.2525030940869856 Energy: 0.25250309408146915 Energy: 0.27881715536453605 Energy: 0.25306465572969405 Energy: 0.2530646510979748 Energy: 0.2549199251365254 Energy: 0.2913112304768459 Energy: 0.2913112304768459 Energy: 0.22930644473942732 Energy: 0.3241740147671815 Energy: 0.32417401476626206 Energy: 0.2889663925172723 Energy: 0.3242018767020526 Energy: 0.32420187668504363 Energy: 0.2554800440553852 Energy: 0.2975047858285885 Energy: 0.29750478582031387 Energy: 0.35928416203846075 Energy: 0.26142396435955806 Energy: 0.2614239643590983 Energy: 0.3832844621432116 Energy: 0.2530749981892042 Energy: 0.25307499846535925 Energy: 0.2790924187882683 Energy: 0.23946475143577645 Energy: 0.2394649633787883 Energy: 0.2432418541688971 Energy: 0.2530855147985851 Energy: 0.2530855132362907 minimum gb energy = 0.22930644473942732 eV minimum distance = 2.61701151446505 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.36903504058667086 Energy: 0.23716185326913025 Energy: 0.2372104488138279 Energy: 0.3914115516715721 Energy: 0.27052619925732213 Energy: 0.27052619925610466 Energy: 0.22085419049657576 Energy: 0.24275005041321465 Energy: 0.24275005056167012 Energy: 0.22094970991859575 Energy: 0.24317609473804663 Energy: 0.24317609474251065 Energy: 0.21330367031870415 Energy: 0.3205606414833748 Energy: 0.3205606338119657 Energy: 0.225996513374928 Energy: 0.23083248621995464 Energy: 0.23083248622969427 Energy: 0.3608089084293434 Energy: 0.31539477553887507 Energy: 0.3153947755429332 Energy: 0.40581983900297436 Energy: 0.24277743884633002 Energy: 0.24277743884673583 Energy: 0.3104778938993176 Energy: 0.24277857704981132 Energy: 0.24277857706360906 Energy: 0.27129727973011464 Energy: 0.31837474600847465 Energy: 0.3183747460088805 minimum gb energy = 0.21330367031870415 eV minimum distance = 2.53437130556224 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4022145152834438 Energy: 0.2269395720387903 Energy: 0.22693957205328624 Energy: 0.33311655981735044 Energy: 0.22266043717579756 Energy: 0.2226602935805342 Energy: 0.22619049390180826 Energy: 0.27582081958613547 Energy: 0.27582081958831484 Energy: 0.2136444423729238 Energy: 0.2225095429127154 Energy: 0.22250993884044434 Energy: 0.2061521927922733 Energy: 0.23354131508435896 Energy: 0.23354131508435896 Energy: 0.2729694560204014 Energy: 0.3006690780464947 Energy: 0.30066907805884435 Energy: 0.2425555544347934 Energy: 0.22272755032911917 Energy: 0.22273460821400498 Energy: 0.39910021989576006 Energy: 0.2277389847173283 Energy: 0.22774044833412352 Energy: 0.41649785219097313 Energy: 0.24953651501931184 Energy: 0.249536515019675 Energy: 0.21592170473790728 Energy: 0.23313490662543537 Energy: 0.2331349065582718 minimum gb energy = 0.2061521927922733 eV minimum distance = 2.62060574467402 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.3760143256458447 Energy: 0.21484401910523437 Energy: 0.21484401910457693 Energy: 0.2914696393665187 Energy: 0.3903383365000117 Energy: 0.39033833650099786 Energy: 0.2015608150058333 Energy: 0.25201936495510663 Energy: 0.2520116266601714 Energy: 0.19988032523418267 Energy: 0.21114851923669295 Energy: 0.2111485189679241 Energy: 0.1996956271819182 Energy: 0.21503771530670204 Energy: 0.21505921538470854 Energy: 0.20152249779644146 Energy: 0.21958600277282234 Energy: 0.21958373321494082 Energy: 0.2914738584907893 Energy: 0.2150787039203979 Energy: 0.2150623073020786 Energy: 0.4019481094484375 Energy: 0.2150360560075091 Energy: 0.21504515233464205 Energy: 0.29143259513310504 Energy: 0.21507138526187738 Energy: 0.2150390527619476 Energy: 0.21185727338618549 Energy: 0.21504138499325923 Energy: 0.21503702463383856 minimum gb energy = 0.1996956271819182 eV minimum distance = 2.61823526454561 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3376883672813072 Energy: 0.3259583442807489 Energy: 0.32595834428014847 Energy: 0.2601081586617792 Energy: 0.20442291292697565 Energy: 0.20442291242140614 Energy: 0.2613459860098638 Energy: 0.1941408100608274 Energy: 0.19413997036464417 Energy: 0.18407895030654992 Energy: 0.20808669007416583 Energy: 0.2080749612145329 Energy: 0.19442101979800958 Energy: 0.2691445545186367 Energy: 0.2691451315414688 Energy: 0.18860571487743774 Energy: 0.20109038785982414 Energy: 0.20109038789944883 Energy: 0.35376023570031306 Energy: 0.19118472217107566 Energy: 0.19118472217797994 Energy: 0.388723447351107 Energy: 0.2081573558627229 Energy: 0.20808877706103093 Energy: 0.2599563266702735 Energy: 0.19745346912396763 Energy: 0.19745346913744877 Energy: 0.18844683434936918 Energy: 0.20824018730271937 Energy: 0.20824019729900145 minimum gb energy = 0.18407895030654992 eV minimum distance = 2.62110791722206 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.37615824740297693 Energy: 0.1937153554596962 Energy: 0.19371782042410002 Energy: 0.3911400393182913 Energy: 0.24204848532891685 Energy: 0.2420484853281133 Energy: 0.18395038768932434 Energy: 0.19220161401696717 Energy: 0.19220161407798492 Energy: 0.1731128018104045 Energy: 0.1952688851823142 Energy: 0.19526888518316793 Energy: 0.18401505005364513 Energy: 0.19219406618311866 Energy: 0.19219406618286758 Energy: 0.17922126169275107 Energy: 0.1953477298388904 Energy: 0.19534772993084393 Energy: 0.24431062766793743 Energy: 0.19848214539397954 Energy: 0.1984821455806487 Energy: 0.3684549258735227 Energy: 0.1953630232343602 Energy: 0.19536302327187482 Energy: 0.30455214833736294 Energy: 0.19854075901674723 Energy: 0.19854074619684065 Energy: 0.18150546331031867 Energy: 0.1954217444875337 Energy: 0.19542174453283245 minimum gb energy = 0.1731128018104045 eV minimum distance = 2.61241187608658 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.36591511675165306 Energy: 0.19029099981200367 Energy: 0.1902139069124523 Energy: 0.25064536786539715 Energy: 0.18755050809017043 Energy: 0.18755050808789164 Energy: 0.20409999311636595 Energy: 0.18466555434368276 Energy: 0.18466554648162367 Energy: 0.18008759359100326 Energy: 0.18609900718731492 Energy: 0.18609900709346652 Energy: 0.1716043226321348 Energy: 0.19020838948712715 Energy: 0.19020838940351 Energy: 0.17665395285195143 Energy: 0.22603163310637744 Energy: 0.22620390808983543 Energy: 0.25078295750593327 Energy: 0.18480604336912324 Energy: 0.18480605755995014 Energy: 0.4085248505336409 Energy: 0.18471739467440204 Energy: 0.1847055819259387 Energy: 0.39133818333991305 Energy: 0.22920067535361052 Energy: 0.22920067535230837 Energy: 0.2393178072077334 Energy: 0.1846047230458457 Energy: 0.18460923377267754 minimum gb energy = 0.1716043226321348 eV minimum distance = 2.61687350276986 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3491077660702264 Energy: 0.1811610008590368 Energy: 0.18114282348469923 Energy: 0.24182927552120775 Energy: 0.18040423991711274 Energy: 0.180404259804393 Energy: 0.18103429370639657 Energy: 0.18296449584465893 Energy: 0.18296449648501353 Energy: 0.16520249086482766 Energy: 0.18546055568061495 Energy: 0.18546055719940027 Energy: 0.16257131627625318 Energy: 0.1817104113578897 Energy: 0.1817104113484065 Energy: 0.26310544291059934 Energy: 0.20906262648383972 Energy: 0.20906262647435653 Energy: 0.3326989263998497 Energy: 0.19968826674373868 Energy: 0.1996878612350684 Energy: 0.38882183907325835 Energy: 0.1829051465266131 Energy: 0.18290514627190887 Energy: 0.2888559720952715 Energy: 0.18546981374534527 Energy: 0.1854698137239106 Energy: 0.17284132241775427 Energy: 0.21397358932326785 Energy: 0.21397358927806023 minimum gb energy = 0.16257131627625318 eV minimum distance = 2.6211647564704 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011538614910263563 Energy: 0.011538614907161546 Energy: 0.011538614911637875 Energy: 0.011538614906808152 Energy: 0.11669495285927084 Energy: 0.11669495284719653 Energy: 0.011538614904039896 Energy: 0.11669495284407487 Energy: 0.11669495284511541 Energy: 0.01153861490543384 Energy: 0.11669495285927084 Energy: 0.11669495284684313 Energy: 0.011538614906120997 Energy: 0.1166949528530668 Energy: 0.11669495285962421 Energy: 0.011538614907161546 Energy: 0.11669495285823028 Energy: 0.11669495285927084 Energy: 0.011538614910616958 Energy: 0.1166949528547945 Energy: 0.11669495285995798 Energy: 0.011538614908535859 Energy: 0.011538614906120997 Energy: 0.011538614907848702 Energy: 0.011538614904039896 Energy: 0.1166949528616857 Energy: 0.11669495286099853 Energy: 0.011538614904039896 Energy: 0.11669495285893708 Energy: 0.11669495286066478 minimum gb energy = 0.011538614904039896 eV minimum distance = 2.84856126126249 Angstroms sigma value = 1