model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 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=3.9946083426475534 cohesive_energy=3.2851228778493895 mass=26.981538 Isolated atom energy: -6.30324146298057e-20 eV ======================================== theta = 0.0 ======================================== Energy: 0.01037635617935713 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.01037635617935713 Energy: 0.01037635617935713 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.01037635617935713 Energy: 0.010376356180355935 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.12754631001596894 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356180355935 Energy: 0.01037635617935713 Energy: 0.01037635617935713 Energy: 0.010376356180355935 Energy: 0.010376356179842264 Energy: 0.01037635617935713 Energy: 0.01037635617935713 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.010376356179842264 Energy: 0.01037635617935713 Energy: 0.01037635617935713 minimum gb energy = 0.01037635617935713 eV minimum distance = 2.82450708758316 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.3515401990723083 Energy: 0.35102377674402774 Energy: 0.35102377674402774 Energy: 0.3147080959257994 Energy: 0.3513083532294044 Energy: 0.3513083532294044 Energy: 0.31670333119967864 Energy: 0.35171019579557516 Energy: 0.3517101957959093 Energy: 0.31813116266493396 Energy: 0.3136451647241715 Energy: 0.313645167099231 Energy: 0.3221494824909782 Energy: 0.35003093893271875 Energy: 0.3500309389323847 Energy: 0.29385251032654913 Energy: 0.35666561881055003 Energy: 0.35666561881055003 Energy: 0.31801201495757353 Energy: 0.3498669168039255 Energy: 0.3498669168042596 Energy: 0.31819850964459817 Energy: 0.3150950081260641 Energy: 0.31509500812639823 Energy: 0.32083420531435397 Energy: 0.3747268517627083 Energy: 0.3747268517630424 Energy: 0.31819852361695694 Energy: 0.356681486934141 Energy: 0.356681486934141 minimum gb energy = 0.29385251032654913 eV minimum distance = 2.53570860616884 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.36206623334304033 Energy: 0.36565829326248156 Energy: 0.36565829326248156 Energy: 0.2929057993385775 Energy: 0.36404672612357236 Energy: 0.36404672612357236 Energy: 0.3306338663851913 Energy: 0.3656705413629599 Energy: 0.3656705413629599 Energy: 0.32700875344073904 Energy: 0.3640859168742033 Energy: 0.3640859168745611 Energy: 0.31720339111379575 Energy: 0.36547001810222496 Energy: 0.36547001810079366 Energy: 0.3356013985881534 Energy: 0.3646089428273341 Energy: 0.3646089428273341 Energy: 0.3080004428997849 Energy: 0.36548890035732085 Energy: 0.36548890035732085 Energy: 0.322956862847858 Energy: 0.3645937274411277 Energy: 0.3645937274411277 Energy: 0.32671576142033026 Energy: 0.36549154098900105 Energy: 0.36549154099615794 Energy: 0.31927035959058614 Energy: 0.3712374687724701 Energy: 0.3712374687724701 minimum gb energy = 0.2929057993385775 eV minimum distance = 2.53626610258128 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.3816499146400147 Energy: 0.3779697978213743 Energy: 0.3779697978213743 Energy: 0.3383422594333438 Energy: 0.3782901259585377 Energy: 0.3782901259585377 Energy: 0.3458242399325383 Energy: 0.34148187459173623 Energy: 0.34148187459173623 Energy: 0.3416443549126583 Energy: 0.4011471304494053 Energy: 0.4011471304497906 Energy: 0.3481594564829414 Energy: 0.37549035710573814 Energy: 0.37549035710573814 Energy: 0.31743061636476716 Energy: 0.3852076709962528 Energy: 0.3852076709962528 Energy: 0.343210959118971 Energy: 0.3443775328536814 Energy: 0.3443775328536814 Energy: 0.3464623845521251 Energy: 0.445183809802149 Energy: 0.445183809802149 Energy: 0.34891034965363693 Energy: 0.34437906116166034 Energy: 0.34437906116166034 Energy: 0.33903345426697157 Energy: 0.3851986333835334 Energy: 0.3851986333835334 minimum gb energy = 0.31743061636476716 eV minimum distance = 2.53600993527043 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.39407293803820087 Energy: 0.3960400359141077 Energy: 0.3960400359136905 Energy: 0.35855848842037497 Energy: 0.4292645157930364 Energy: 0.4292645157930364 Energy: 0.35492808266169223 Energy: 0.3917206415526686 Energy: 0.39172064155308567 Energy: 0.35503447735326954 Energy: 0.39541142288282816 Energy: 0.3954114228815769 Energy: 0.36518980850200666 Energy: 0.4240403512806271 Energy: 0.42404035128020995 Energy: 0.36470853755030447 Energy: 0.39399108238423663 Energy: 0.3939910823838196 Energy: 0.3648353272852309 Energy: 0.43478742770750045 Energy: 0.43478742770750045 Energy: 0.34992240928240953 Energy: 0.3955463922254703 Energy: 0.3955463922254703 Energy: 0.360591225225202 Energy: 0.38105263064752165 Energy: 0.38105263064752165 Energy: 0.3620485698993313 Energy: 0.39497008437308073 Energy: 0.3949700843734979 minimum gb energy = 0.34992240928240953 eV minimum distance = 2.52752349474372 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4130145143256725 Energy: 0.4180926526026062 Energy: 0.41809265260215145 Energy: 0.3868085382205216 Energy: 0.3775626553147752 Energy: 0.3775626553156846 Energy: 0.37481468258463646 Energy: 0.4092104889240756 Energy: 0.4092104889240756 Energy: 0.3716377464051699 Energy: 0.41106281133118083 Energy: 0.41106281133118083 Energy: 0.381145044487051 Energy: 0.3808664863868438 Energy: 0.380866486413197 Energy: 0.3454699195854849 Energy: 0.41729982341041727 Energy: 0.4172998233654205 Energy: 0.3810294297800804 Energy: 0.3725305633117374 Energy: 0.3725305633117374 Energy: 0.38119808688546947 Energy: 0.37511793090182005 Energy: 0.37511793090182005 Energy: 0.3568344994614694 Energy: 0.4084853660954921 Energy: 0.4084853660950373 Energy: 0.38101113158763517 Energy: 0.37738317870880816 Energy: 0.37738317870880816 minimum gb energy = 0.3454699195854849 eV minimum distance = 2.5320614257083 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4342198577832321 Energy: 0.4339112326428334 Energy: 0.4339112326428334 Energy: 0.39368298376455846 Energy: 0.4323039304975924 Energy: 0.4323039313253381 Energy: 0.40169765524057705 Energy: 0.43844647678441745 Energy: 0.4384464760441078 Energy: 0.39342539810161253 Energy: 0.4239114148748667 Energy: 0.4239114148753665 Energy: 0.4014281085327983 Energy: 0.4200179034529063 Energy: 0.4200179034529063 Energy: 0.40156613068810204 Energy: 0.4424311526456651 Energy: 0.4424311526456651 Energy: 0.39301204951037616 Energy: 0.4416564636791891 Energy: 0.44165646392695845 Energy: 0.39732575895573047 Energy: 0.42567829463683676 Energy: 0.42567829463683676 Energy: 0.4017030748447263 Energy: 0.4710938218846763 Energy: 0.4710938218846763 Energy: 0.401411427856895 Energy: 0.4208419604401898 Energy: 0.4208419604401898 minimum gb energy = 0.39301204951037616 eV minimum distance = 2.52419521198159 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.44650335387383205 Energy: 0.4641276513327178 Energy: 0.4641276513327178 Energy: 0.43095964210131343 Energy: 0.4633140680295562 Energy: 0.4633140680295562 Energy: 0.4081747095382342 Energy: 0.463316095790928 Energy: 0.4633160958346949 Energy: 0.37463676805613727 Energy: 0.4633175637039535 Energy: 0.4633175637072814 Energy: 0.39624812215568195 Energy: 0.462795563156368 Energy: 0.46279560612488363 Energy: 0.391633530915553 Energy: 0.462803023340928 Energy: 0.46280270716847666 Energy: 0.41402481858845724 Energy: 0.4628075062233325 Energy: 0.4628100256380551 Energy: 0.408156857452312 Energy: 0.4627957443127464 Energy: 0.46279580632773326 Energy: 0.42326742048926436 Energy: 0.46279556607755706 Energy: 0.46279556842654923 Energy: 0.43028553043419215 Energy: 0.463453340507102 Energy: 0.463453340507102 minimum gb energy = 0.37463676805613727 eV minimum distance = 2.52056426057765 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.46967900620949 Energy: 0.488418104177189 Energy: 0.4884114681808753 Energy: 0.44554484966282065 Energy: 0.4425666500345552 Energy: 0.4425666500345552 Energy: 0.4453588249186641 Energy: 0.4450202724857884 Energy: 0.4450202724857884 Energy: 0.4519381576849257 Energy: 0.4480627225435505 Energy: 0.4480627225435505 Energy: 0.4511380964344493 Energy: 0.4737815044090705 Energy: 0.47378150440969347 Energy: 0.4511381021906613 Energy: 0.47378001127818353 Energy: 0.47378001127818353 Energy: 0.45182592175177777 Energy: 0.4525427071791073 Energy: 0.4525427071791073 Energy: 0.45194400783923006 Energy: 0.4450505215165625 Energy: 0.4450505215165625 Energy: 0.44556621402793356 Energy: 0.4417170205740948 Energy: 0.4417170205728489 Energy: 0.4590385142641446 Energy: 0.485185214085972 Energy: 0.485185214085972 minimum gb energy = 0.4417170205728489 eV minimum distance = 2.50439839139926 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.497578166344494 Energy: 0.5031076191064856 Energy: 0.5031076191074813 Energy: 0.45392684411587675 Energy: 0.4550297091869641 Energy: 0.45502971003494 Energy: 0.4687525173470634 Energy: 0.4872339471404634 Energy: 0.4872339471394677 Energy: 0.4321899050517033 Energy: 0.5036678807266983 Energy: 0.5036678807266983 Energy: 0.46210019446498557 Energy: 0.4923144410979067 Energy: 0.4923144410979067 Energy: 0.4459704705249272 Energy: 0.4938265217336027 Energy: 0.4938265217336027 Energy: 0.44979834627902615 Energy: 0.5036680876727178 Energy: 0.5036680876727178 Energy: 0.46180705641088987 Energy: 0.5163391508743997 Energy: 0.5163391508740679 Energy: 0.41369158652606675 Energy: 0.5094644899335123 Energy: 0.5094644824328911 Energy: 0.47335515524856014 Energy: 0.46670130070185417 Energy: 0.46670130070185417 minimum gb energy = 0.41369158652606675 eV minimum distance = 2.52575437342062 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5013121661879878 Energy: 0.5189391064122841 Energy: 0.5189393362536336 Energy: 0.4858370238928303 Energy: 0.4706503599258583 Energy: 0.4706503599258583 Energy: 0.46888140075182033 Energy: 0.5025694279721962 Energy: 0.5025694279750375 Energy: 0.46199209275811126 Energy: 0.516632718135375 Energy: 0.5166326773695814 Energy: 0.47369318049622827 Energy: 0.5132747533584116 Energy: 0.5132747533562806 Energy: 0.4396423593770398 Energy: 0.5166327234339739 Energy: 0.5166327234339739 Energy: 0.4629518157928369 Energy: 0.4810288025721595 Energy: 0.4810288020872518 Energy: 0.4166332415427539 Energy: 0.5166327026399921 Energy: 0.516632702639282 Energy: 0.4689036402105423 Energy: 0.47821199978226325 Energy: 0.47821199978226325 Energy: 0.4855403466961161 Energy: 0.5025629984272479 Energy: 0.5025629984030977 minimum gb energy = 0.4166332415427539 eV minimum distance = 2.50028408615004 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.4929602204112264 Energy: 0.5247831541377865 Energy: 0.5247831541377865 Energy: 0.43344221128573684 Energy: 0.5293737579790333 Energy: 0.529373757979415 Energy: 0.4304815131749994 Energy: 0.5420955242697311 Energy: 0.5420955242704948 Energy: 0.4591753375845258 Energy: 0.513481887211693 Energy: 0.513481887211693 Energy: 0.4943988302421385 Energy: 0.5247831595176898 Energy: 0.5247831617066775 Energy: 0.47916987732936045 Energy: 0.5284266080476122 Energy: 0.528426608047994 Energy: 0.4606395801596071 Energy: 0.510310296020419 Energy: 0.510310296020419 Energy: 0.49030394358325785 Energy: 0.4796893982148535 Energy: 0.4796893982148535 Energy: 0.4791752269082971 Energy: 0.5353305687724521 Energy: 0.5353305687728338 Energy: 0.477985905140478 Energy: 0.5198596699365508 Energy: 0.5198596699365508 minimum gb energy = 0.4304815131749994 eV minimum distance = 2.50634110846724 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.514163812787191 Energy: 0.5575120488170822 Energy: 0.5575120488179078 Energy: 0.476199041442193 Energy: 0.4978894394605755 Energy: 0.49788943930046387 Energy: 0.5096089799450263 Energy: 0.5411218266385281 Energy: 0.5411218266385281 Energy: 0.49916978684748614 Energy: 0.5567195283858305 Energy: 0.5567194490939267 Energy: 0.49788943921545376 Energy: 0.4761861317914895 Energy: 0.4761861318071779 Energy: 0.4978894392129766 Energy: 0.49847565287653023 Energy: 0.49847563966615155 Energy: 0.46952757030452213 Energy: 0.5369675808089256 Energy: 0.5369686895396033 Energy: 0.476186455925803 Energy: 0.5332435358474397 Energy: 0.5332435358540266 Energy: 0.4707516508279903 Energy: 0.4978894393392532 Energy: 0.49788943921380235 Energy: 0.4761529044220114 Energy: 0.4715802532375076 Energy: 0.4715802532375076 minimum gb energy = 0.46952757030452213 eV minimum distance = 2.4978431552741 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5602094253673813 Energy: 0.5753300295657054 Energy: 0.5753300295657054 Energy: 0.49255320833605654 Energy: 0.5616706947602262 Energy: 0.5616706947602262 Energy: 0.5304996476463055 Energy: 0.523845376763475 Energy: 0.5238453769183987 Energy: 0.5237275315889798 Energy: 0.5229536797852331 Energy: 0.522954168823084 Energy: 0.5229828125553362 Energy: 0.5263717272653278 Energy: 0.5263717272626528 Energy: 0.515468800642121 Energy: 0.5231258873463309 Energy: 0.5231258870809572 Energy: 0.5190317512903934 Energy: 0.4990508370152361 Energy: 0.4990508370156853 Energy: 0.5102791167489279 Energy: 0.5194065402701106 Energy: 0.5194065402701106 Energy: 0.5239635061227702 Energy: 0.48457657489770317 Energy: 0.4845765748981524 Energy: 0.4916890335257008 Energy: 0.5232766055275409 Energy: 0.5232766055275409 minimum gb energy = 0.48457657489770317 eV minimum distance = 2.50216789621746 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5499471852510293 Energy: 0.5381079623748106 Energy: 0.5381050866954162 Energy: 0.5020785252413694 Energy: 0.5371334319845705 Energy: 0.5371334319855555 Energy: 0.5572186333893349 Energy: 0.5800703895635064 Energy: 0.5800703895635064 Energy: 0.5422399438039444 Energy: 0.4878513842862945 Energy: 0.48785138386491317 Energy: 0.542239932484362 Energy: 0.5061763241482852 Energy: 0.5061763241482852 Energy: 0.5061737243432138 Energy: 0.5371334324719249 Energy: 0.5371334324719249 Energy: 0.469753980860105 Energy: 0.537133431572032 Energy: 0.5371334315730169 Energy: 0.46981554725046676 Energy: 0.5061737331098164 Energy: 0.5061737344429331 Energy: 0.5216013880656537 Energy: 0.5097929911715064 Energy: 0.5097929904931504 Energy: 0.5215995408790249 Energy: 0.5096017238942984 Energy: 0.5092787297113466 minimum gb energy = 0.469753980860105 eV minimum distance = 2.51173477766276 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5775554586231016 Energy: 0.5534383256771999 Energy: 0.5534383256775507 Energy: 0.5427179808748149 Energy: 0.5118823437310511 Energy: 0.5118823498587695 Energy: 0.5426949978748387 Energy: 0.5118823696247756 Energy: 0.5118823696230217 Energy: 0.547111000453044 Energy: 0.5534121267347567 Energy: 0.5534121267351074 Energy: 0.5426891169491503 Energy: 0.5207977199617198 Energy: 0.5207977199610181 Energy: 0.5426750631820375 Energy: 0.5263280784721694 Energy: 0.5263280784721694 Energy: 0.517513839240856 Energy: 0.5533949998737459 Energy: 0.5533949998740966 Energy: 0.5459746943279401 Energy: 0.530423201867142 Energy: 0.5304232018667911 Energy: 0.5426937567998902 Energy: 0.5322043938407939 Energy: 0.5322043938404432 Energy: 0.4910700485767454 Energy: 0.5533971457942833 Energy: 0.5533971457942833 minimum gb energy = 0.4910700485767454 eV minimum distance = 2.54283593886196 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5705841252518487 Energy: 0.5511798362240239 Energy: 0.5511381827607915 Energy: 0.5181300412442539 Energy: 0.5708864432417112 Energy: 0.5708864432417112 Energy: 0.4974512278354497 Energy: 0.5221630623676707 Energy: 0.5221680934543819 Energy: 0.5400533989455906 Energy: 0.5112085371508384 Energy: 0.5112085371497488 Energy: 0.5183729413116979 Energy: 0.5009165704658028 Energy: 0.5009165704658028 Energy: 0.5669192915569392 Energy: 0.5392154457335547 Energy: 0.5392116053081087 Energy: 0.5434934743930656 Energy: 0.5409880650996542 Energy: 0.5410127891135309 Energy: 0.5009051240941436 Energy: 0.5410459177017164 Energy: 0.5410459177028059 Energy: 0.5384033863557405 Energy: 0.5391860152122315 Energy: 0.5391860823176298 Energy: 0.5008843167625205 Energy: 0.5370724298491143 Energy: 0.5370724298425771 minimum gb energy = 0.4974512278354497 eV minimum distance = 2.48209236327566 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.5740249236943556 Energy: 0.5456199677818638 Energy: 0.5456199677878872 Energy: 0.5274551245312472 Energy: 0.5455484909230788 Energy: 0.54554849092082 Energy: 0.5274569849611305 Energy: 0.5545570839609136 Energy: 0.5545578041186197 Energy: 0.5274336594812755 Energy: 0.5309689472717115 Energy: 0.5309689469270136 Energy: 0.5056336213771738 Energy: 0.5451472357985493 Energy: 0.5451472357966669 Energy: 0.5248157359716868 Energy: 0.5374892850175504 Energy: 0.5374892850194327 Energy: 0.537589491584097 Energy: 0.5368838497059034 Energy: 0.5368838497077857 Energy: 0.5172910451286721 Energy: 0.5309782601126872 Energy: 0.5309782601126872 Energy: 0.5205384564965214 Energy: 0.5448199344777894 Energy: 0.5448199349827556 Energy: 0.49842802824317534 Energy: 0.5448132205896342 Energy: 0.5448132205858698 minimum gb energy = 0.49842802824317534 eV minimum distance = 2.5356050612211 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5171713724987188 Energy: 0.5244185822842614 Energy: 0.5244185822842614 Energy: 0.5835386225636234 Energy: 0.5020389441809288 Energy: 0.5020389445766619 Energy: 0.6002825468671636 Energy: 0.524418588933652 Energy: 0.5244185899406204 Energy: 0.5020389415594114 Energy: 0.5090123476559103 Energy: 0.5090123473612562 Energy: 0.5507899366436952 Energy: 0.5020389411782961 Energy: 0.5020389411782961 Energy: 0.502038942361841 Energy: 0.537123694454357 Energy: 0.537123694475038 Energy: 0.5533663628986006 Energy: 0.5020389415691567 Energy: 0.5020389417116251 Energy: 0.5020461076474246 Energy: 0.5371234737417253 Energy: 0.5371234737295439 Energy: 0.5020389406717943 Energy: 0.5073069094707212 Energy: 0.5073069094707212 Energy: 0.5083753584751719 Energy: 0.5020389465236279 Energy: 0.5020389472444414 minimum gb energy = 0.5020389406717943 eV minimum distance = 2.56239855478593 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5691077414712158 Energy: 0.5443358782851567 Energy: 0.5443358782845096 Energy: 0.5215586165317538 Energy: 0.541788767533778 Energy: 0.5417887675334544 Energy: 0.5440687871399884 Energy: 0.5928581851445754 Energy: 0.5928581851448989 Energy: 0.5420617864308422 Energy: 0.5474088515363623 Energy: 0.5474088515677156 Energy: 0.5375767202155914 Energy: 0.5445236656117846 Energy: 0.5445236656124315 Energy: 0.5681420868742603 Energy: 0.6032167543700653 Energy: 0.6032167543703888 Energy: 0.538431367846443 Energy: 0.5452895895688836 Energy: 0.5452895982198644 Energy: 0.5156492329540712 Energy: 0.5275577818311727 Energy: 0.527557779299682 Energy: 0.5689746056638179 Energy: 0.601482932444408 Energy: 0.6014829324447315 Energy: 0.5499217940571858 Energy: 0.5474088559606329 Energy: 0.5474088583317107 minimum gb energy = 0.5156492329540712 eV minimum distance = 2.57154973408792 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5886658027961653 Energy: 0.5353631160890373 Energy: 0.5353631160885968 Energy: 0.5438261528175982 Energy: 0.5499610401623151 Energy: 0.5499610401623151 Energy: 0.5983403385145032 Energy: 0.5532540826956679 Energy: 0.5532540735252666 Energy: 0.5464084688654093 Energy: 0.5352867054461977 Energy: 0.5352867054461977 Energy: 0.5234653723030749 Energy: 0.5353050122952925 Energy: 0.5353050122952925 Energy: 0.6024720790583374 Energy: 0.5847362523804296 Energy: 0.5847362104494467 Energy: 0.5487450192542291 Energy: 0.5789237691728748 Energy: 0.5789237691728748 Energy: 0.5479253895926315 Energy: 0.5352500229020494 Energy: 0.5352500229020494 Energy: 0.5233889519236208 Energy: 0.5471748962529802 Energy: 0.5471748962529802 Energy: 0.5804818828977454 Energy: 0.5300276436029396 Energy: 0.5300276436029396 minimum gb energy = 0.5233889519236208 eV minimum distance = 2.49510690072351 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5757667154667812 Energy: 0.5297501550607375 Energy: 0.5297501550607375 Energy: 0.5166979794367134 Energy: 0.5497643530267269 Energy: 0.5497643530274168 Energy: 0.5167004466277204 Energy: 0.5452655043071646 Energy: 0.5452655043071646 Energy: 0.5501195098583542 Energy: 0.5166606390049356 Energy: 0.5166606383891347 Energy: 0.6216491561710179 Energy: 0.5225429891959248 Energy: 0.5225429891959248 Energy: 0.6113761154546811 Energy: 0.558757099428019 Energy: 0.558757099352851 Energy: 0.5167007676817044 Energy: 0.5452750925123003 Energy: 0.5452750925123003 Energy: 0.5389554816996787 Energy: 0.5167402114672576 Energy: 0.5167402114672576 Energy: 0.5225429988068333 Energy: 0.5297032345003577 Energy: 0.5297032344996678 Energy: 0.5167189005817013 Energy: 0.5824540184166088 Energy: 0.5824540184166088 minimum gb energy = 0.5166606383891347 eV minimum distance = 2.55653230905435 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5405844882430383 Energy: 0.5259370010962856 Energy: 0.5259370010962856 Energy: 0.6296430650570867 Energy: 0.6026484878868656 Energy: 0.6026484878863847 Energy: 0.5349381186129473 Energy: 0.5589397120068474 Energy: 0.5589397120068474 Energy: 0.5150596283537323 Energy: 0.5927678629809334 Energy: 0.5927678629809334 Energy: 0.6179100953449271 Energy: 0.554638648687989 Energy: 0.554638648687989 Energy: 0.5150343671208971 Energy: 0.6121092973306368 Energy: 0.6121092973296746 Energy: 0.5354899145153018 Energy: 0.5459909951914725 Energy: 0.5459909951914725 Energy: 0.5791331149129629 Energy: 0.5656922575154201 Energy: 0.5656922575154201 Energy: 0.540571241512032 Energy: 0.5259453035840664 Energy: 0.5259453035840664 Energy: 0.6241355927266202 Energy: 0.5506335799391459 Energy: 0.5506335799391459 minimum gb energy = 0.5150343671208971 eV minimum distance = 2.55130767459772 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5793303803495669 Energy: 0.5537666170746816 Energy: 0.5537666175404944 Energy: 0.5251856672290998 Energy: 0.6049840727665016 Energy: 0.6049840727665016 Energy: 0.5404244888912036 Energy: 0.5776219583079146 Energy: 0.5776219583079146 Energy: 0.5372614432582521 Energy: 0.5449132126667058 Energy: 0.5449132126652286 Energy: 0.601812054758706 Energy: 0.5503393070869029 Energy: 0.5503393070872721 Energy: 0.5372863498777898 Energy: 0.5449131967129835 Energy: 0.5449131967096603 Energy: 0.5404552242906365 Energy: 0.5776209480831263 Energy: 0.5776209480831263 Energy: 0.5251856649476707 Energy: 0.6049991301774129 Energy: 0.6049991301774129 Energy: 0.5788900126610386 Energy: 0.5537666161796132 Energy: 0.5537666171850587 Energy: 0.5251856837685794 Energy: 0.6050089405206742 Energy: 0.6050089405199357 minimum gb energy = 0.5251856649476707 eV minimum distance = 2.48567549016319 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5029948918452483 Energy: 0.502994895328372 Energy: 0.5029949140521875 Energy: 0.5713649078289604 Energy: 0.5062620212329803 Energy: 0.5062620182800878 Energy: 0.5130988017743691 Energy: 0.528741897328404 Energy: 0.52874189814124 Energy: 0.5870433677444769 Energy: 0.5062619983291131 Energy: 0.506261994501478 Energy: 0.5029949406614286 Energy: 0.5029949654576897 Energy: 0.502994891134026 Energy: 0.5714021834755737 Energy: 0.5062620837292638 Energy: 0.5062620699745477 Energy: 0.5029959355725472 Energy: 0.5287418745562914 Energy: 0.5287418747658537 Energy: 0.5870484599723121 Energy: 0.5371748767176866 Energy: 0.5371685730040509 Energy: 0.5029949017135994 Energy: 0.5029948912261097 Energy: 0.5029948913403934 Energy: 0.5713649070923256 Energy: 0.5411019575860487 Energy: 0.5411019575860487 minimum gb energy = 0.502994891134026 eV minimum distance = 2.54284721953952 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5808454705575143 Energy: 0.5587403893040355 Energy: 0.5587403895650741 Energy: 0.6355028398792609 Energy: 0.5739947542137261 Energy: 0.5739947542130505 Energy: 0.5503485143126353 Energy: 0.5773154129215697 Energy: 0.5773154129215697 Energy: 0.5502390534959939 Energy: 0.5588153684842115 Energy: 0.5588153684842115 Energy: 0.5519900699111377 Energy: 0.5870059156726337 Energy: 0.5870059156824315 Energy: 0.5520009268712956 Energy: 0.5740889399637487 Energy: 0.5741292440982351 Energy: 0.6558966613810555 Energy: 0.5831507210958526 Energy: 0.5831507116580426 Energy: 0.5587599365891444 Energy: 0.5861495274683094 Energy: 0.5861495274683094 Energy: 0.6431147032568026 Energy: 0.5619746294222339 Energy: 0.561974638655734 Energy: 0.551958259154305 Energy: 0.5780182337522957 Energy: 0.5780181626753091 minimum gb energy = 0.5502390534959939 eV minimum distance = 2.51968965969608 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.59178674299912 Energy: 0.5682584167268417 Energy: 0.5682584167268417 Energy: 0.5404940383114449 Energy: 0.5689253143717554 Energy: 0.5689253143700391 Energy: 0.5377720591934793 Energy: 0.57080070115662 Energy: 0.5708007011561909 Energy: 0.5277037044912698 Energy: 0.5875169307134973 Energy: 0.5875169306302896 Energy: 0.559407874206435 Energy: 0.5717060369268538 Energy: 0.5717060369264249 Energy: 0.589063746813338 Energy: 0.5644114779051456 Energy: 0.5644114779051456 Energy: 0.6527767460748848 Energy: 0.5355131975006473 Energy: 0.5355131975006473 Energy: 0.6129087581079719 Energy: 0.5323130206120948 Energy: 0.5323130202226217 Energy: 0.6134723624774786 Energy: 0.5736371157188922 Energy: 0.5736371157188922 Energy: 0.59574988387179 Energy: 0.5766524261195477 Energy: 0.5766524261199769 minimum gb energy = 0.5277037044912698 eV minimum distance = 2.51191437179155 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.551981362019724 Energy: 0.5895701116295855 Energy: 0.5895689916688448 Energy: 0.6317384349548542 Energy: 0.5398744610807227 Energy: 0.5398744610771956 Energy: 0.5820508878469166 Energy: 0.6206837730716793 Energy: 0.6206837730722673 Energy: 0.5398511224933525 Energy: 0.5710887040731659 Energy: 0.5710887040731659 Energy: 0.5819833959895241 Energy: 0.5872345606943118 Energy: 0.5872345607824354 Energy: 0.5398568448639639 Energy: 0.6121750084462104 Energy: 0.6121750090150059 Energy: 0.6677718494972068 Energy: 0.6077873715698802 Energy: 0.6077873715698802 Energy: 0.5398238153545188 Energy: 0.5826341222075169 Energy: 0.582634122206929 Energy: 0.5988558420073229 Energy: 0.5729082341643383 Energy: 0.5729082341637504 Energy: 0.5398214003412226 Energy: 0.5727532675061086 Energy: 0.5727532674138434 minimum gb energy = 0.5398214003412226 eV minimum distance = 2.50750119043384 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5924403405776666 Energy: 0.5729895651940724 Energy: 0.5729895651940724 Energy: 0.561993095474235 Energy: 0.5870828811018026 Energy: 0.5870828931819124 Energy: 0.5612203326021618 Energy: 0.5624710563216284 Energy: 0.5624710563216284 Energy: 0.5488524479947411 Energy: 0.5729894954047304 Energy: 0.5729894954043698 Energy: 0.5762267781025886 Energy: 0.6085497248902902 Energy: 0.6085497248902902 Energy: 0.5420689017605209 Energy: 0.5440905397220799 Energy: 0.5440905397220799 Energy: 0.5409755371124328 Energy: 0.6010350521679776 Energy: 0.6010350521672564 Energy: 0.5541787593775963 Energy: 0.60439984641955 Energy: 0.60439984641955 Energy: 0.5560628453345898 Energy: 0.5440411161039863 Energy: 0.5440411161039863 Energy: 0.5409079768471958 Energy: 0.608618540810753 Energy: 0.6086185407786595 minimum gb energy = 0.5409079768471958 eV minimum distance = 2.53247506260167 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5813583040364593 Energy: 0.5682497890012382 Energy: 0.5682497890012382 Energy: 0.541228609457284 Energy: 0.5738095706862593 Energy: 0.5738095706862593 Energy: 0.5493357541583554 Energy: 0.5878103893721848 Energy: 0.5878103893721848 Energy: 0.5382862442914504 Energy: 0.5411804199914024 Energy: 0.5411804199914024 Energy: 0.6404363356128517 Energy: 0.5450099191997717 Energy: 0.5450099191997717 Energy: 0.6012826559058769 Energy: 0.5595005303300236 Energy: 0.5595005303300236 Energy: 0.5844742551014201 Energy: 0.5440327157711201 Energy: 0.5440327157711201 Energy: 0.5663845655434911 Energy: 0.5450099156842518 Energy: 0.5450099156842518 Energy: 0.5734533744206145 Energy: 0.588182487152373 Energy: 0.5881824760277928 Energy: 0.5336300205339002 Energy: 0.5915479097981515 Energy: 0.5915479097981515 minimum gb energy = 0.5336300205339002 eV minimum distance = 2.50908383403856 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5619314029453473 Energy: 0.5489489739136195 Energy: 0.5489489739140058 Energy: 0.5444353689028347 Energy: 0.5953550943565709 Energy: 0.5953548595569261 Energy: 0.6262312088142373 Energy: 0.5436844819714046 Energy: 0.5436844814701313 Energy: 0.5481312128482669 Energy: 0.6022172097962576 Energy: 0.6022172097970303 Energy: 0.5436460029508831 Energy: 0.5773614576353796 Energy: 0.5773614576349932 Energy: 0.544834064093992 Energy: 0.6012979599559586 Energy: 0.6012979599559586 Energy: 0.5440089492190062 Energy: 0.5541678341557194 Energy: 0.5541678341561058 Energy: 0.6380807774582444 Energy: 0.5481945956948624 Energy: 0.5481948469971175 Energy: 0.5440486878935262 Energy: 0.6110060326308019 Energy: 0.6110060326308019 Energy: 0.5437494333311533 Energy: 0.6000388637750681 Energy: 0.6000388637746817 minimum gb energy = 0.5436460029508831 eV minimum distance = 2.51026831830763 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5828692936369332 Energy: 0.5506101031213388 Energy: 0.5506101590586285 Energy: 0.5477173318418951 Energy: 0.5739374352234019 Energy: 0.5739377759665328 Energy: 0.5946682488533904 Energy: 0.555571192742447 Energy: 0.5555711927431065 Energy: 0.5429340909582584 Energy: 0.5794079310526079 Energy: 0.5794079310526079 Energy: 0.5582705553518851 Energy: 0.5595516430574198 Energy: 0.5595516430574198 Energy: 0.6260080775016514 Energy: 0.5524985592240291 Energy: 0.552498589890145 Energy: 0.5461931302969706 Energy: 0.6022441916275033 Energy: 0.6022441916275033 Energy: 0.544462554196016 Energy: 0.6019577013800981 Energy: 0.6019577013800981 Energy: 0.6450269003881808 Energy: 0.5504894916872222 Energy: 0.5504894916872222 Energy: 0.5462351045953077 Energy: 0.5764397879751669 Energy: 0.5764397879758264 minimum gb energy = 0.5429340909582584 eV minimum distance = 2.50106445063745 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5644813697582621 Energy: 0.5615419066788422 Energy: 0.5615419066788422 Energy: 0.5498374527761153 Energy: 0.5953924675133402 Energy: 0.5953924675133402 Energy: 0.5703255204271948 Energy: 0.5491955558686297 Energy: 0.5491955558676097 Energy: 0.553089172820885 Energy: 0.6006530786448129 Energy: 0.6006530786448129 Energy: 0.5495689199864542 Energy: 0.5560491633549082 Energy: 0.5560544621627544 Energy: 0.56830550066837 Energy: 0.5530920319639097 Energy: 0.5530920319639097 Energy: 0.5572632364065855 Energy: 0.5589362546763996 Energy: 0.5589362406886778 Energy: 0.5497324660641982 Energy: 0.6015447031766252 Energy: 0.6015447031766252 Energy: 0.5589713700731356 Energy: 0.5967318340122528 Energy: 0.5967318340117429 Energy: 0.6614295824785417 Energy: 0.5809632575789757 Energy: 0.5809632575774459 minimum gb energy = 0.5491955558676097 eV minimum distance = 2.50919343391206 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5601657309824695 Energy: 0.557522138802948 Energy: 0.5575221388033637 Energy: 0.5445393620816014 Energy: 0.5905571430694718 Energy: 0.5905571430694718 Energy: 0.546932260095449 Energy: 0.5856959686145586 Energy: 0.5856959686145586 Energy: 0.540181264430621 Energy: 0.5835164012490928 Energy: 0.5835164012490928 Energy: 0.6288982752397084 Energy: 0.5449775764496128 Energy: 0.5449775764496128 Energy: 0.5842917167214133 Energy: 0.5531805660418648 Energy: 0.5531805660418648 Energy: 0.5445997992669526 Energy: 0.5531584907203219 Energy: 0.5531584907203219 Energy: 0.5447267774991186 Energy: 0.5515381278936045 Energy: 0.5515381278936045 Energy: 0.5414231721328221 Energy: 0.6165618963674564 Energy: 0.6165618980904868 Energy: 0.5444513696332984 Energy: 0.555040167203161 Energy: 0.555040167203161 minimum gb energy = 0.540181264430621 eV minimum distance = 2.50791839716784 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5629184090528209 Energy: 0.5579769418829523 Energy: 0.5579769418829523 Energy: 0.6333583171455066 Energy: 0.5479274665314232 Energy: 0.5479274665321249 Energy: 0.5482759249395937 Energy: 0.5838647456179481 Energy: 0.5838647456175974 Energy: 0.636772763433123 Energy: 0.5459662885262603 Energy: 0.5459662885262603 Energy: 0.5444443510980114 Energy: 0.5869567867594898 Energy: 0.5869567867594898 Energy: 0.5550021086460052 Energy: 0.5505762140982885 Energy: 0.5505762140982885 Energy: 0.5412464410887429 Energy: 0.6013973967661848 Energy: 0.6013973967661848 Energy: 0.5429182822937724 Energy: 0.5552524187058833 Energy: 0.5552524187051816 Energy: 0.5443625481719296 Energy: 0.5671106748839478 Energy: 0.5671106748839478 Energy: 0.5490816645249542 Energy: 0.5475351548546422 Energy: 0.5475328506467003 minimum gb energy = 0.5412464410887429 eV minimum distance = 2.50328052104806 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5621216644714543 Energy: 0.5592911116317151 Energy: 0.5592911104352299 Energy: 0.5518047515181654 Energy: 0.5856523595240449 Energy: 0.5856523595240449 Energy: 0.5464996526942827 Energy: 0.5846366425964096 Energy: 0.5846366425964096 Energy: 0.544231097423384 Energy: 0.562342568250522 Energy: 0.5623425682502186 Energy: 0.5413347770446979 Energy: 0.5464153945928129 Energy: 0.5464153945928129 Energy: 0.5450926735357718 Energy: 0.5464437569790274 Energy: 0.5464437569790274 Energy: 0.562196176982134 Energy: 0.55001008253708 Energy: 0.55001008253708 Energy: 0.5777431601105643 Energy: 0.556187940680236 Energy: 0.556187940680236 Energy: 0.5451377058331953 Energy: 0.5561942925282707 Energy: 0.5561942925282707 Energy: 0.552419894791355 Energy: 0.5481653338409262 Energy: 0.5481653338409262 minimum gb energy = 0.5413347770446979 eV minimum distance = 2.5039679472237 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5419202445069383 Energy: 0.5282329430823064 Energy: 0.5282329430847569 Energy: 0.5207403247352977 Energy: 0.5419202445518362 Energy: 0.5419202444519329 Energy: 0.5237554130749693 Energy: 0.5427800587869962 Energy: 0.5427800678857324 Energy: 0.5419202444674264 Energy: 0.523906189972174 Energy: 0.5239061899441225 Energy: 0.5419202444519329 Energy: 0.5419202445058153 Energy: 0.5419202444512693 Energy: 0.5357037421118519 Energy: 0.5427800585779756 Energy: 0.5427800585952558 Energy: 0.5241754817399681 Energy: 0.5724918280072601 Energy: 0.5724911747334975 Energy: 0.5357037421172376 Energy: 0.5419202445123239 Energy: 0.5419202448005983 Energy: 0.535703742105573 Energy: 0.5419202445082912 Energy: 0.541920244501323 Energy: 0.5208098394364011 Energy: 0.569123465936012 Energy: 0.5691234693163302 minimum gb energy = 0.5207403247352977 eV minimum distance = 2.54614511783212 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5412936381678793 Energy: 0.5431042771709781 Energy: 0.5431042771709781 Energy: 0.529297943099154 Energy: 0.5621473638888237 Energy: 0.5621473632270266 Energy: 0.5229242204383631 Energy: 0.5487747846198712 Energy: 0.5487747846201665 Energy: 0.5229432144759195 Energy: 0.5234377673056956 Energy: 0.5234377674323878 Energy: 0.5564112997818815 Energy: 0.5206165833259755 Energy: 0.5206165825445768 Energy: 0.5931300744674457 Energy: 0.5210378662983507 Energy: 0.5210378662983507 Energy: 0.5226343241529545 Energy: 0.5354160864884011 Energy: 0.5354160864878102 Energy: 0.5188380049291509 Energy: 0.5315346332936923 Energy: 0.5315346332936923 Energy: 0.5188219909782303 Energy: 0.53575798882069 Energy: 0.53575798882069 Energy: 0.518844342861415 Energy: 0.5733141495484066 Energy: 0.5733141495484066 minimum gb energy = 0.5188219909782303 eV minimum distance = 2.53109637970738 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5340670833819116 Energy: 0.5423524142324028 Energy: 0.542352977843688 Energy: 0.5220196453453243 Energy: 0.5221626363311289 Energy: 0.5221626365188106 Energy: 0.5290358590455576 Energy: 0.517489800656336 Energy: 0.5174901222742679 Energy: 0.5166815394203184 Energy: 0.5315177308707605 Energy: 0.5315177308707605 Energy: 0.5166921381690013 Energy: 0.564648959170045 Energy: 0.5646489591703853 Energy: 0.5564644612469329 Energy: 0.5293923864350101 Energy: 0.5293923864350101 Energy: 0.5161756696193927 Energy: 0.5269545324305381 Energy: 0.5269545324305381 Energy: 0.5161935770202838 Energy: 0.5286611535972129 Energy: 0.5286611535968727 Energy: 0.5162518798926654 Energy: 0.5269532805249644 Energy: 0.5269532805253045 Energy: 0.5215590480401603 Energy: 0.5220317231474001 Energy: 0.5220311938118556 minimum gb energy = 0.5161756696193927 eV minimum distance = 2.52559375222401 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5305917665971767 Energy: 0.5383302148447151 Energy: 0.538330992477569 Energy: 0.5081454436907104 Energy: 0.5145533482278308 Energy: 0.5145470967203686 Energy: 0.5084282335082423 Energy: 0.515207229545278 Energy: 0.5152072295589066 Energy: 0.5210888905744999 Energy: 0.5451085411405681 Energy: 0.5451085411405681 Energy: 0.5101574549772457 Energy: 0.5321661869817268 Energy: 0.5321661862833647 Energy: 0.53336492826358 Energy: 0.5160291510714924 Energy: 0.5160291511291776 Energy: 0.5161807500504557 Energy: 0.5225841286966644 Energy: 0.5225841286966644 Energy: 0.5060212264836661 Energy: 0.5703856848486882 Energy: 0.5703856848486882 Energy: 0.5102247747494816 Energy: 0.5210522213436392 Energy: 0.5210522213448415 Energy: 0.5100323246158562 Energy: 0.5196497338736387 Energy: 0.5196497338736387 minimum gb energy = 0.5060212264836661 eV minimum distance = 2.51294647099598 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5266546631633853 Energy: 0.5323855747795627 Energy: 0.5323855747795627 Energy: 0.5074988503566363 Energy: 0.5196279679868466 Energy: 0.5196279679873345 Energy: 0.5058599888035146 Energy: 0.5164477486033626 Energy: 0.5164477486033626 Energy: 0.5074988027085421 Energy: 0.5278350760346396 Energy: 0.5278350793675052 Energy: 0.5768743112976948 Energy: 0.5128776370188641 Energy: 0.5128776370188641 Energy: 0.5749276448471418 Energy: 0.4999899116332695 Energy: 0.4999835303319603 Energy: 0.5205282527303153 Energy: 0.5058600000640736 Energy: 0.5058600000640736 Energy: 0.49912574124871045 Energy: 0.5128619530181231 Energy: 0.5128619530181231 Energy: 0.5074988058253855 Energy: 0.5164477497673143 Energy: 0.5164477497678022 Energy: 0.5085115562818451 Energy: 0.5577390857705978 Energy: 0.5577390857705978 minimum gb energy = 0.49912574124871045 eV minimum distance = 2.53253516106524 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5121069265306675 Energy: 0.513673739518518 Energy: 0.5136737395172721 Energy: 0.5025592731979992 Energy: 0.5013460569040543 Energy: 0.5013460569040543 Energy: 0.5022617229346023 Energy: 0.512995997804867 Energy: 0.512995997804244 Energy: 0.586745804373465 Energy: 0.49548742887298786 Energy: 0.49548743334893414 Energy: 0.4935788729538973 Energy: 0.5164488384524845 Energy: 0.5164488384518615 Energy: 0.5064558558290815 Energy: 0.5113344384693705 Energy: 0.5113344384693705 Energy: 0.49357141336214866 Energy: 0.5051266006258541 Energy: 0.5051266006264772 Energy: 0.5011069591877412 Energy: 0.5130437790242988 Energy: 0.5130437792677678 Energy: 0.497327964146208 Energy: 0.5128543473654181 Energy: 0.5128543473647952 Energy: 0.5585586907124539 Energy: 0.49355939059279696 Energy: 0.4935593905946659 minimum gb energy = 0.49355939059279696 eV minimum distance = 2.5314709833993 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5201058647719856 Energy: 0.508113306459609 Energy: 0.5081133064599705 Energy: 0.4957810476831893 Energy: 0.5044907111470855 Energy: 0.5044907111470855 Energy: 0.48776907075741266 Energy: 0.5062715672465196 Energy: 0.5062715672465196 Energy: 0.5004441128461532 Energy: 0.49889089571460676 Energy: 0.49889089571460676 Energy: 0.5304166170751953 Energy: 0.4910577605614274 Energy: 0.4910577605614274 Energy: 0.4858159113478685 Energy: 0.5579357558313696 Energy: 0.5579357558292004 Energy: 0.5475772686304603 Energy: 0.4959118408922027 Energy: 0.49591184089184115 Energy: 0.48581584432316516 Energy: 0.515469601476697 Energy: 0.515469601476697 Energy: 0.4854418315208406 Energy: 0.5004292188695302 Energy: 0.5004292188709764 Energy: 0.510011312703909 Energy: 0.502343551765101 Energy: 0.502343551765101 minimum gb energy = 0.4854418315208406 eV minimum distance = 2.50875338755249 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5607047575701932 Energy: 0.534337406570996 Energy: 0.534337406570996 Energy: 0.4716197441511684 Energy: 0.5185557512581248 Energy: 0.5185557512581248 Energy: 0.4626401466649574 Energy: 0.5233720966345381 Energy: 0.5233720966345381 Energy: 0.47155454552788106 Energy: 0.4748000531003136 Energy: 0.4748000913407667 Energy: 0.49730148543168107 Energy: 0.49549947591498467 Energy: 0.49549947591498467 Energy: 0.5304498893293446 Energy: 0.48722268572154415 Energy: 0.48722268550974673 Energy: 0.4891287530473597 Energy: 0.48617661319047856 Energy: 0.48617661319047856 Energy: 0.5611391946493034 Energy: 0.4765976363650228 Energy: 0.4765976274409479 Energy: 0.4716501016040922 Energy: 0.5654791004271733 Energy: 0.5654791000483498 Energy: 0.46483601634869637 Energy: 0.5216094368576955 Energy: 0.5216094368576955 minimum gb energy = 0.4626401466649574 eV minimum distance = 2.51745945709721 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5254920156940539 Energy: 0.4914282645626901 Energy: 0.4914282645626901 Energy: 0.4711205901320104 Energy: 0.5197701213235109 Energy: 0.5197701213235109 Energy: 0.46973045575915606 Energy: 0.4872187917606807 Energy: 0.4872187917606807 Energy: 0.5335909754304937 Energy: 0.4842949034448122 Energy: 0.4842945887564821 Energy: 0.5380359573348379 Energy: 0.47318251518151194 Energy: 0.47318251518151194 Energy: 0.4739426949458189 Energy: 0.49391666952842067 Energy: 0.49391666952842067 Energy: 0.519047128550703 Energy: 0.48065403701779524 Energy: 0.48065302613221794 Energy: 0.4700622394589275 Energy: 0.4900465819107141 Energy: 0.4900465819110431 Energy: 0.47250090321530835 Energy: 0.5095217082589483 Energy: 0.5095217082589483 Energy: 0.4754289857865967 Energy: 0.5933563097887097 Energy: 0.5933563097887097 minimum gb energy = 0.46973045575915606 eV minimum distance = 2.5370683620633 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.491454554132877 Energy: 0.4683190848481688 Energy: 0.4683190848476364 Energy: 0.4634690966642989 Energy: 0.49127712270429535 Energy: 0.491277122703763 Energy: 0.48503542341947636 Energy: 0.4764684814680879 Energy: 0.4764684834923839 Energy: 0.47892342688537715 Energy: 0.47163539539658694 Energy: 0.47163539539658694 Energy: 0.46933620976592255 Energy: 0.4845219723196191 Energy: 0.4845219723201515 Energy: 0.4763699210376597 Energy: 0.4819531598358938 Energy: 0.48195315983642617 Energy: 0.46821287196334765 Energy: 0.4845312783397073 Energy: 0.4845312783397073 Energy: 0.5529358472020734 Energy: 0.4738097465562399 Energy: 0.4738097465562399 Energy: 0.4634673321409495 Energy: 0.4796598552522145 Energy: 0.4796598552522145 Energy: 0.4634716056124541 Energy: 0.469336211444842 Energy: 0.4693362114453744 minimum gb energy = 0.4634673321409495 eV minimum distance = 2.52504154707634 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5156938023902946 Energy: 0.4672376026075393 Energy: 0.4672341200070005 Energy: 0.4642565214377905 Energy: 0.4773830438719829 Energy: 0.47738304387236813 Energy: 0.4720443605761735 Energy: 0.4998212849888272 Energy: 0.4998212849895976 Energy: 0.5082664116695785 Energy: 0.46464156837684145 Energy: 0.46464156837722675 Energy: 0.46091107267843723 Energy: 0.5844175276651702 Energy: 0.5844175276651702 Energy: 0.5598204084669578 Energy: 0.46026003910987434 Energy: 0.46026003910987434 Energy: 0.4588543742043602 Energy: 0.46323615111751354 Energy: 0.46323615111789873 Energy: 0.47436458642685136 Energy: 0.46623732382751276 Energy: 0.46623732382751276 Energy: 0.4588543894709245 Energy: 0.4632178543749433 Energy: 0.46321785512540886 Energy: 0.5583524719945819 Energy: 0.4677031690337355 Energy: 0.4677031690337355 minimum gb energy = 0.4588543742043602 eV minimum distance = 2.5263022278968 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.505337246962341 Energy: 0.5725524383298471 Energy: 0.5725524383298471 Energy: 0.455358338562596 Energy: 0.5229379429700107 Energy: 0.5229379429700107 Energy: 0.4518845781683886 Energy: 0.4674570057795232 Energy: 0.4674570057792214 Energy: 0.4725140445143655 Energy: 0.4625801516605021 Energy: 0.46258015165657895 Energy: 0.4615464990018778 Energy: 0.46288769952131414 Energy: 0.46288769952131414 Energy: 0.45411903627721134 Energy: 0.5330758394128756 Energy: 0.5330758394128756 Energy: 0.46588138114493655 Energy: 0.4986234428343674 Energy: 0.4986234428343674 Energy: 0.45781568368109143 Energy: 0.47652284237980386 Energy: 0.4765228423801056 Energy: 0.4508816607575853 Energy: 0.4757596600196146 Energy: 0.47575966001901104 Energy: 0.5023884859884756 Energy: 0.4623165653518009 Energy: 0.4623165653518009 minimum gb energy = 0.4508816607575853 eV minimum distance = 2.52305961679045 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.43535237338136046 Energy: 0.4351930694082436 Energy: 0.4351930694082436 Energy: 0.43535238650325686 Energy: 0.43477082843985293 Energy: 0.43477082843985293 Energy: 0.42622657415041204 Energy: 0.449602224864219 Energy: 0.4496022215586866 Energy: 0.4365262261297971 Energy: 0.44960221938655737 Energy: 0.44960223976001806 Energy: 0.4365254298394612 Energy: 0.4506798587651527 Energy: 0.4506798587651527 Energy: 0.619077508586432 Energy: 0.43652640679532745 Energy: 0.43652626745179396 Energy: 0.4365261688217655 Energy: 0.43984556019133897 Energy: 0.43984556019133897 Energy: 0.4347707498463351 Energy: 0.5116368136142242 Energy: 0.5116368136140816 Energy: 0.4347550357720136 Energy: 0.44960221923060356 Energy: 0.4496022228633508 Energy: 0.43535237057987597 Energy: 0.45068067032584896 Energy: 0.45068067032584896 minimum gb energy = 0.42622657415041204 eV minimum distance = 2.55118323670596 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5283354415550585 Energy: 0.4242187836567879 Energy: 0.4242178382527999 Energy: 0.41885496227818153 Energy: 0.4810699057223396 Energy: 0.4810699057223396 Energy: 0.43322244918985114 Energy: 0.5143731261523081 Energy: 0.5143731261523081 Energy: 0.4196644038094298 Energy: 0.4375032759373181 Energy: 0.43750327577095344 Energy: 0.42340250042410954 Energy: 0.4318690448484097 Energy: 0.4318690448484097 Energy: 0.4182720737505481 Energy: 0.48071195131657724 Energy: 0.4807119513168949 Energy: 0.41573603130893605 Energy: 0.4287337828028025 Energy: 0.42873378280312013 Energy: 0.43829616928627346 Energy: 0.42293815105230215 Energy: 0.42293815105198446 Energy: 0.476785232521108 Energy: 0.42878644486098005 Energy: 0.42878644486098005 Energy: 0.4898365799220624 Energy: 0.4238862156305137 Energy: 0.4238862156314667 minimum gb energy = 0.41573603130893605 eV minimum distance = 2.5260325994848 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4435106453441746 Energy: 0.5873161790046963 Energy: 0.5873161790046963 Energy: 0.408362077323366 Energy: 0.4313404054941091 Energy: 0.4313404054936977 Energy: 0.42168079823892746 Energy: 0.4234309336303989 Energy: 0.4234309336303989 Energy: 0.40904656753214275 Energy: 0.4666737489540268 Energy: 0.46667374895361535 Energy: 0.5298809967545515 Energy: 0.41681174157391054 Energy: 0.41681174157391054 Energy: 0.42169117067296114 Energy: 0.43187473407165633 Energy: 0.43187473407165633 Energy: 0.410231221315828 Energy: 0.41621950657233764 Energy: 0.41621950657233764 Energy: 0.48194968783841735 Energy: 0.4198747960300418 Energy: 0.4198747960177166 Energy: 0.41715502062674326 Energy: 0.4261076415139079 Energy: 0.4261076416237315 Energy: 0.4090976863684394 Energy: 0.43170978794978415 Energy: 0.43170978794937265 minimum gb energy = 0.408362077323366 eV minimum distance = 2.53981483738956 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.42363150596993965 Energy: 0.40654628678970256 Energy: 0.4065462867891187 Energy: 0.39428794256994903 Energy: 0.4118543545950186 Energy: 0.4118543545950186 Energy: 0.3941474705206996 Energy: 0.4118219819887189 Energy: 0.4118219819887189 Energy: 0.4065279481867079 Energy: 0.4142894559810184 Energy: 0.4142894559804346 Energy: 0.4818051630058994 Energy: 0.4142794852163498 Energy: 0.4142794852163498 Energy: 0.39387447390168423 Energy: 0.41182349587367556 Energy: 0.41182349587367556 Energy: 0.40819765668802865 Energy: 0.43782519614630183 Energy: 0.43782519614630183 Energy: 0.5563354188423556 Energy: 0.4142854254182486 Energy: 0.4142854254182486 Energy: 0.40784073827733597 Energy: 0.40467450185882653 Energy: 0.40467450185882653 Energy: 0.4081976521989558 Energy: 0.43679878626234864 Energy: 0.43679878626932844 minimum gb energy = 0.39387447390168423 eV minimum distance = 2.55217894853653 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5150536721854291 Energy: 0.5647326424629647 Energy: 0.5647326424629647 Energy: 0.3819154750717108 Energy: 0.40283858514782495 Energy: 0.40283858514782495 Energy: 0.3912926225986534 Energy: 0.45859096502570074 Energy: 0.45859096502570074 Energy: 0.39198914985313765 Energy: 0.4942179163144862 Energy: 0.4942179163144862 Energy: 0.38525863216434364 Energy: 0.3984030509522613 Energy: 0.39840305095263057 Energy: 0.5055614182065373 Energy: 0.404945509485919 Energy: 0.404945509485919 Energy: 0.393569994150197 Energy: 0.40518267984961753 Energy: 0.4051826798492483 Energy: 0.585651540183755 Energy: 0.3938988151917521 Energy: 0.3938988151917521 Energy: 0.39197205706135946 Energy: 0.41234061672097533 Energy: 0.41234061672097533 Energy: 0.3911634019839321 Energy: 0.4307523459819748 Energy: 0.4307523459823441 minimum gb energy = 0.3819154750717108 eV minimum distance = 2.54517148932891 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.485626139830026 Energy: 0.39452913889101987 Energy: 0.3945291420166631 Energy: 0.38225463077944816 Energy: 0.40059904392974305 Energy: 0.40060073845260036 Energy: 0.47511805291847853 Energy: 0.3995321086587707 Energy: 0.39953210865901617 Energy: 0.39240827258689276 Energy: 0.4778587495184589 Energy: 0.4778587495187044 Energy: 0.3909499011049346 Energy: 0.3912117778436611 Energy: 0.3912117746705443 Energy: 0.39185331256512473 Energy: 0.39520380041372205 Energy: 0.3952038000315773 Energy: 0.3892762820743615 Energy: 0.39520375157568743 Energy: 0.3952038018155902 Energy: 0.46854455447437504 Energy: 0.3957881447425078 Energy: 0.39578814474466795 Energy: 0.39213526335467924 Energy: 0.3955014082016218 Energy: 0.3955014082021618 Energy: 0.4751304352677273 Energy: 0.3995344626598039 Energy: 0.3995344626600985 minimum gb energy = 0.38225463077944816 eV minimum distance = 2.52215076253316 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.46307520849617223 Energy: 0.37472635681073485 Energy: 0.37472635681073485 Energy: 0.4384603703414481 Energy: 0.4494378272966316 Energy: 0.4494378272966316 Energy: 0.3687818911298643 Energy: 0.3737715870849429 Energy: 0.3737715870849429 Energy: 0.3629639974762625 Energy: 0.4335799764504192 Energy: 0.4335799764504192 Energy: 0.3643201767028894 Energy: 0.4232445503545698 Energy: 0.4232445503545698 Energy: 0.3688090868133811 Energy: 0.3859207441912666 Energy: 0.3859207441912666 Energy: 0.43853581404631997 Energy: 0.4294400902833287 Energy: 0.4294400902833287 Energy: 0.4631856220867709 Energy: 0.38592074696449996 Energy: 0.3859207489625913 Energy: 0.43855079331120445 Energy: 0.38592074011474553 Energy: 0.3859207409581716 Energy: 0.3688122270966348 Energy: 0.385920745295752 Energy: 0.385920745295752 minimum gb energy = 0.3629639974762625 eV minimum distance = 2.56490736664292 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4646103543782856 Energy: 0.36736261981881485 Energy: 0.3673626198182024 Energy: 0.3549170070209062 Energy: 0.3710936049722812 Energy: 0.3710936049719751 Energy: 0.369211089475853 Energy: 0.36267075438022445 Energy: 0.36267075438022445 Energy: 0.35015302264028936 Energy: 0.412863907222214 Energy: 0.41286390722252025 Energy: 0.3586081663138501 Energy: 0.4507544803957636 Energy: 0.4507544803957636 Energy: 0.3710434104319974 Energy: 0.36257197760379195 Energy: 0.36257197760348564 Energy: 0.348904870953454 Energy: 0.3690675417192065 Energy: 0.36906760642009584 Energy: 0.6014063658435297 Energy: 0.359964875536546 Energy: 0.3599648755368522 Energy: 0.35310131547821466 Energy: 0.41569824247729065 Energy: 0.41569824247729065 Energy: 0.35718616423181593 Energy: 0.4525174597055205 Energy: 0.4525174597150137 minimum gb energy = 0.348904870953454 eV minimum distance = 2.53365441858604 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.49028953721277785 Energy: 0.36020616238118564 Energy: 0.3602061623807451 Energy: 0.3429819067967804 Energy: 0.36894129491298183 Energy: 0.36894129491298183 Energy: 0.331439613216062 Energy: 0.35355426193804024 Energy: 0.3535542619340757 Energy: 0.35542061706146755 Energy: 0.36076342988587357 Energy: 0.3607634298863141 Energy: 0.3554362868033133 Energy: 0.3683073480782653 Energy: 0.3683073480782653 Energy: 0.3433747308670046 Energy: 0.3691281564019814 Energy: 0.3691281564019814 Energy: 0.3451948568998861 Energy: 0.34521080558785827 Energy: 0.34521080558785827 Energy: 0.48937965040857245 Energy: 0.3607455089845309 Energy: 0.36074550898497143 Energy: 0.3433703141210106 Energy: 0.40770286115161253 Energy: 0.40770286115161253 Energy: 0.3433773912553568 Energy: 0.4366957908316847 Energy: 0.43669579083300625 minimum gb energy = 0.331439613216062 eV minimum distance = 2.53698292489628 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5161203105485166 Energy: 0.3499353687213225 Energy: 0.349935368721579 Energy: 0.3301754885245823 Energy: 0.35031377234913386 Energy: 0.3503137719947193 Energy: 0.3460797098381185 Energy: 0.4033899999985228 Energy: 0.40344089905429514 Energy: 0.34217798016501805 Energy: 0.34043910831636487 Energy: 0.34043910831605706 Energy: 0.34163004610922854 Energy: 0.37987541421047505 Energy: 0.3798754142101673 Energy: 0.4275095039296359 Energy: 0.3427165570000541 Energy: 0.34271655720644545 Energy: 0.3412356336008941 Energy: 0.34743683631004274 Energy: 0.34743683620879606 Energy: 0.5744435027458096 Energy: 0.3427179510414465 Energy: 0.3427179510414465 Energy: 0.34123268903789983 Energy: 0.4298996214619912 Energy: 0.42989962146142696 Energy: 0.41730769818250085 Energy: 0.3425234465113538 Energy: 0.3425234465110974 minimum gb energy = 0.3301754885245823 eV minimum distance = 2.53133477079422 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4090134631243249 Energy: 0.3705071497731028 Energy: 0.3705071497731028 Energy: 0.38729717871981306 Energy: 0.34384915057271487 Energy: 0.34384915057271487 Energy: 0.38707668316729493 Energy: 0.3333104875750807 Energy: 0.3333104862445716 Energy: 0.3278405085348286 Energy: 0.3488790293589277 Energy: 0.3488790293589277 Energy: 0.3278405050505539 Energy: 0.369043752597404 Energy: 0.369043752597404 Energy: 0.31746330500837 Energy: 0.454568493886003 Energy: 0.45456849368134766 Energy: 0.3858684261305601 Energy: 0.3278405087574893 Energy: 0.3278405086359797 Energy: 0.40891874087179636 Energy: 0.34888346817933563 Energy: 0.34888346817933563 Energy: 0.38728699608396067 Energy: 0.32692174970262977 Energy: 0.3269217497018454 Energy: 0.37052906356951587 Energy: 0.3269217508363632 Energy: 0.3269217508363632 minimum gb energy = 0.31746330500837 eV minimum distance = 2.54800017272483 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.43220603054826734 Energy: 0.31560150736257636 Energy: 0.31560150736257636 Energy: 0.301053882794648 Energy: 0.32290605064592376 Energy: 0.3229060506462772 Energy: 0.297017396638798 Energy: 0.3229061322048841 Energy: 0.32290606826292034 Energy: 0.4106060401574237 Energy: 0.31874932936332867 Energy: 0.31874932936368205 Energy: 0.41559489446232506 Energy: 0.31875508098175664 Energy: 0.31875508098175664 Energy: 0.3115702350908716 Energy: 0.34970999139423203 Energy: 0.3497099914380198 Energy: 0.3088253815475503 Energy: 0.35501197155338254 Energy: 0.35501197155338254 Energy: 0.5147562525141363 Energy: 0.32290607491529455 Energy: 0.32290607491423434 Energy: 0.3084123368132787 Energy: 0.30676279899818587 Energy: 0.30676279899783254 Energy: 0.2970144146506934 Energy: 0.3148543338313468 Energy: 0.31485436843936376 minimum gb energy = 0.2970144146506934 eV minimum distance = 2.54230333888628 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.4839269510599248 Energy: 0.29406688622476734 Energy: 0.29406688622476734 Energy: 0.30169663411402425 Energy: 0.29450965492535225 Energy: 0.2945089728112315 Energy: 0.289155078186513 Energy: 0.330265997616159 Energy: 0.3302660246724091 Energy: 0.2841844199364156 Energy: 0.3013614713618891 Energy: 0.3013614713625321 Energy: 0.2891550797034949 Energy: 0.3014026384165369 Energy: 0.301402638417823 Energy: 0.28919897061226324 Energy: 0.30136145976855394 Energy: 0.3013614597672678 Energy: 0.28863611967464514 Energy: 0.3013614699438821 Energy: 0.3013614687798015 Energy: 0.4791619135306875 Energy: 0.30141313042160495 Energy: 0.30141313042160495 Energy: 0.468790978449938 Energy: 0.3013614662137908 Energy: 0.30136146621443377 Energy: 0.28915484702827243 Energy: 0.3136030422064713 Energy: 0.31360304221032975 minimum gb energy = 0.2841844199364156 eV minimum distance = 2.55465658800367 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.46458140141691434 Energy: 0.2889935153322954 Energy: 0.2889935153317055 Energy: 0.35555937203317595 Energy: 0.2914174748936736 Energy: 0.2914174748916091 Energy: 0.27518748519054764 Energy: 0.29148421997719653 Energy: 0.2914842199760168 Energy: 0.28489164991407456 Energy: 0.2914663036325477 Energy: 0.2914663036325477 Energy: 0.4510841649745796 Energy: 0.28190769956943257 Energy: 0.2819076995691375 Energy: 0.27950694908658047 Energy: 0.2878967534220414 Energy: 0.2878967529238153 Energy: 0.27100169897488463 Energy: 0.3389720801924412 Energy: 0.33897208019214625 Energy: 0.523184388333191 Energy: 0.2910829996016012 Energy: 0.29108299851052827 Energy: 0.2792426966597351 Energy: 0.3177897083730142 Energy: 0.3177897084092913 Energy: 0.26755247950592176 Energy: 0.2914811429393191 Energy: 0.2914811429257521 minimum gb energy = 0.26755247950592176 eV minimum distance = 2.54495565093038 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4705671408710981 Energy: 0.2767305020210657 Energy: 0.27673050201997607 Energy: 0.31158647425761027 Energy: 0.2809001228498987 Energy: 0.2809001228498987 Energy: 0.26387770967713864 Energy: 0.3146816591571989 Energy: 0.3146816591571989 Energy: 0.2574988759484612 Energy: 0.2732395154287306 Energy: 0.2732395154287306 Energy: 0.2625287738514082 Energy: 0.272740524541528 Energy: 0.272740524541528 Energy: 0.26403853960390394 Energy: 0.28086398977023225 Energy: 0.280863989770777 Energy: 0.311603211416932 Energy: 0.384235272975497 Energy: 0.384235272975497 Energy: 0.4691687170528524 Energy: 0.2808477410098789 Energy: 0.28084774101042365 Energy: 0.359378652964809 Energy: 0.3179698845230121 Energy: 0.3179698845230121 Energy: 0.3062087998623076 Energy: 0.26387989951055146 Energy: 0.2638798995110963 minimum gb energy = 0.2574988759484612 eV minimum distance = 2.53559798059731 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.47803804860947674 Energy: 0.265992456039976 Energy: 0.2659924560425063 Energy: 0.2542888973396745 Energy: 0.3746546778025875 Energy: 0.3746546777949965 Energy: 0.254466161713835 Energy: 0.26449486856737436 Energy: 0.26449486857243504 Energy: 0.33555523396180914 Energy: 0.27262910585062106 Energy: 0.27262910585062106 Energy: 0.3355509768521667 Energy: 0.26691031405398385 Energy: 0.26691031405398385 Energy: 0.2534732176561527 Energy: 0.26692549101264984 Energy: 0.26692549101264984 Energy: 0.2521265227945344 Energy: 0.26692697711539276 Energy: 0.26692697711539276 Energy: 0.5288179457574433 Energy: 0.2645403115507897 Energy: 0.2645403115507897 Energy: 0.34329161329230823 Energy: 0.3456082504455621 Energy: 0.3456082504455621 Energy: 0.2472197022330893 Energy: 0.266914889181376 Energy: 0.2669148891839064 minimum gb energy = 0.2472197022330893 eV minimum distance = 2.54824285984281 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4372935601007227 Energy: 0.2577493370201186 Energy: 0.2577493370201186 Energy: 0.29570662946848947 Energy: 0.2590809407281242 Energy: 0.2590809407276517 Energy: 0.2696272945979188 Energy: 0.27650744652304166 Energy: 0.2765102714743994 Energy: 0.23338885981814392 Energy: 0.26381681539001045 Energy: 0.26381681539001045 Energy: 0.307575489030169 Energy: 0.2645061899595054 Energy: 0.26450618995903297 Energy: 0.2694546142373315 Energy: 0.2592967789635091 Energy: 0.2592967789635091 Energy: 0.40869129058072917 Energy: 0.2676887853989645 Energy: 0.26768878539943697 Energy: 0.4360070905994814 Energy: 0.2590809476733937 Energy: 0.259080958930031 Energy: 0.2957120043147895 Energy: 0.24435458165127652 Energy: 0.24435458165127652 Energy: 0.24837476660377197 Energy: 0.2593195640480444 Energy: 0.2593195640480444 minimum gb energy = 0.23338885981814392 eV minimum distance = 2.56990267476713 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4185167669245178 Energy: 0.41089436011663477 Energy: 0.4108943601162176 Energy: 0.4426750188183149 Energy: 0.233957675526622 Energy: 0.2339576755799731 Energy: 0.22349647042984327 Energy: 0.24683911808848713 Energy: 0.24683911808848713 Energy: 0.22348611260570797 Energy: 0.246833843773882 Energy: 0.246833843773882 Energy: 0.21510309869020916 Energy: 0.24686850463404283 Energy: 0.24686850463320864 Energy: 0.22893398588558406 Energy: 0.23395767527689199 Energy: 0.23395767635961162 Energy: 0.4164090925942241 Energy: 0.24021678259456172 Energy: 0.24021678259456172 Energy: 0.45975067126842356 Energy: 0.24688809724606225 Energy: 0.24688809724564514 Energy: 0.3510044523568492 Energy: 0.24684400701022985 Energy: 0.24684400699314768 Energy: 0.2912168965638927 Energy: 0.300825684864801 Energy: 0.300825684864801 minimum gb energy = 0.21510309869020916 eV minimum distance = 2.54632980304 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4553727627319617 Energy: 0.228749798312089 Energy: 0.228749798341921 Energy: 0.37934608697366434 Energy: 0.22448748418292833 Energy: 0.2244746172305101 Energy: 0.2357123695909892 Energy: 0.224479471421129 Energy: 0.22447945607498127 Energy: 0.21511563175611242 Energy: 0.22449845946201055 Energy: 0.2244879035327541 Energy: 0.20700305113586656 Energy: 0.23572471241164877 Energy: 0.23572471214893015 Energy: 0.2974901542358168 Energy: 0.2843219189573566 Energy: 0.2843219189558633 Energy: 0.2533787750388651 Energy: 0.2244926491700143 Energy: 0.22449052622816826 Energy: 0.45182739917427095 Energy: 0.23002486179451673 Energy: 0.23002486179451673 Energy: 0.47675403288214824 Energy: 0.21487766961739396 Energy: 0.2148776721108282 Energy: 0.21742950408820358 Energy: 0.2356247246928125 Energy: 0.2356291491359418 minimum gb energy = 0.20700305113586656 eV minimum distance = 2.56040093688691 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.40318265015356464 Energy: 0.36617567794582373 Energy: 0.36617567794582373 Energy: 0.30348485480008475 Energy: 0.3737256041381069 Energy: 0.373725608042967 Energy: 0.20006209277525855 Energy: 0.211598256331033 Energy: 0.21159825977459895 Energy: 0.2000586432298273 Energy: 0.21159824925645332 Energy: 0.21159824847975667 Energy: 0.20005876563046518 Energy: 0.21604128201888906 Energy: 0.2160412828874821 Energy: 0.20005412809046721 Energy: 0.2207965551801196 Energy: 0.22079655517978175 Energy: 0.30342762770571585 Energy: 0.21604128290707764 Energy: 0.21604128290707764 Energy: 0.435953494775818 Energy: 0.21604128652522217 Energy: 0.21604128652522217 Energy: 0.303447667043343 Energy: 0.21604128228333694 Energy: 0.2160412820229433 Energy: 0.19375105793538872 Energy: 0.2161030453733422 Energy: 0.2161030453746936 minimum gb energy = 0.19375105793538872 eV minimum distance = 2.56280945003059 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3792952022653331 Energy: 0.349780632808651 Energy: 0.3497806328083425 Energy: 0.28834699447837503 Energy: 0.20436089363573534 Energy: 0.2043608936354268 Energy: 0.28308053607588773 Energy: 0.19374361103662105 Energy: 0.19374361103631252 Energy: 0.1831636093621832 Energy: 0.20828463046107532 Energy: 0.20828462955005897 Energy: 0.1938878884527889 Energy: 0.2817499715384678 Energy: 0.2817499715387764 Energy: 0.188002633707483 Energy: 0.2005387010144608 Energy: 0.20055654039373907 Energy: 0.3982619241314968 Energy: 0.19071987873873697 Energy: 0.19071987873873697 Energy: 0.4430327630347375 Energy: 0.20828462999168312 Energy: 0.20828462999168312 Energy: 0.2885067826087875 Energy: 0.1970684439026772 Energy: 0.19706845799395117 Energy: 0.18785626849630446 Energy: 0.20828463239748984 Energy: 0.2082846323971813 minimum gb energy = 0.1831636093621832 eV minimum distance = 2.55389597273522 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.42055956713077874 Energy: 0.3327229175908733 Energy: 0.33272291759058936 Energy: 0.4516584885229177 Energy: 0.18541264413386252 Energy: 0.1854126441335786 Energy: 0.18281588441835864 Energy: 0.3319188395362475 Energy: 0.3319188395362475 Energy: 0.17141721132638751 Energy: 0.19437462970698002 Energy: 0.19437487779926102 Energy: 0.1828145212470168 Energy: 0.1912431150975975 Energy: 0.19124311509930086 Energy: 0.1780050596032049 Energy: 0.19437399287479867 Energy: 0.19437365905559012 Energy: 0.269822105323747 Energy: 0.19780487432123284 Energy: 0.19780543327517916 Energy: 0.4182242957342289 Energy: 0.19437398712597992 Energy: 0.19437427434310847 Energy: 0.33955968636083 Energy: 0.19780672941637806 Energy: 0.19780672941637806 Energy: 0.18030171984664314 Energy: 0.19437069121567543 Energy: 0.19436979401491064 minimum gb energy = 0.17141721132638751 eV minimum distance = 2.55117964426295 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.39850814503317944 Energy: 0.3202113316719579 Energy: 0.32021133167219695 Energy: 0.2587697002834713 Energy: 0.1859661953866068 Energy: 0.18596619320559715 Energy: 0.21795382296041454 Energy: 0.18321652301577002 Energy: 0.1832165230165826 Energy: 0.1632388952071393 Energy: 0.1832347565179774 Energy: 0.18323475651773846 Energy: 0.1699022598119918 Energy: 0.18880758346171414 Energy: 0.1888075826683981 Energy: 0.17373696108216516 Energy: 0.26419205891885716 Energy: 0.2641920587556722 Energy: 0.258761326194525 Energy: 0.1832347607783766 Energy: 0.1832347548178233 Energy: 0.18880758103234213 Energy: 0.1832347597102177 Energy: 0.1832347597099309 Energy: 0.42728300825079407 Energy: 0.17584945960848045 Energy: 0.1758494585534184 Energy: 0.2479948897785932 Energy: 0.1832347597088793 Energy: 0.1832347597091661 minimum gb energy = 0.1632388952071393 eV minimum distance = 2.55424887620721 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3793189139709832 Energy: 0.1779577029387619 Energy: 0.1779577029387619 Energy: 0.24909183401053384 Energy: 0.178636619239259 Energy: 0.17863659680734426 Energy: 0.16609817107867028 Energy: 0.1811741607569529 Energy: 0.18117416291497704 Energy: 0.16302179281134174 Energy: 0.18372495224829924 Energy: 0.18372495224829924 Energy: 0.16043222773555862 Energy: 0.17863648263897625 Energy: 0.17863648263897625 Energy: 0.2726798407464482 Energy: 0.169865642367347 Energy: 0.169865642367347 Energy: 0.3622185479534162 Energy: 0.17401411870075353 Energy: 0.17401411870075353 Energy: 0.4319538836577677 Energy: 0.1811741550828823 Energy: 0.1811741550828823 Energy: 0.30558843786340617 Energy: 0.18371942009575742 Energy: 0.18371942009575742 Energy: 0.16986493230949667 Energy: 0.2231493551535128 Energy: 0.22314935585573406 minimum gb energy = 0.16043222773555862 eV minimum distance = 2.54903658588417 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011739859279529646 Energy: 0.011739859280235907 Energy: 0.011739859280235907 Energy: 0.01173985928057895 Energy: 0.11902832647425396 Energy: 0.11902832647425396 Energy: 0.01173985928130539 Energy: 0.11902832647498039 Energy: 0.11902832647461717 Energy: 0.01173985928057895 Energy: 0.11902832647461717 Energy: 0.11902832647425396 Energy: 0.011739859283081137 Energy: 0.11902832647425396 Energy: 0.11902832647425396 Energy: 0.011739859280942169 Energy: 0.11902832648172015 Energy: 0.11902832647461717 Energy: 0.011739859279872688 Energy: 0.11902832647425396 Energy: 0.11902832647425396 Energy: 0.011739859279872688 Energy: 0.011739859280235907 Energy: 0.011739859279872688 Energy: 0.01173985928057895 Energy: 0.11902832647425396 Energy: 0.11902832647425396 Energy: 0.01173985928130539 Energy: 0.11902832647461717 Energy: 0.11902832647461717 minimum gb energy = 0.011739859279529646 eV minimum distance = 2.81659166638691 Angstroms sigma value = 1