model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.049999177455902 cohesive_energy=3.3532637165796326 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010304641926099407 Energy: 0.010304641929014422 Energy: 0.010304641929014422 Energy: 0.010304641926099407 Energy: 0.010304641928042752 Energy: 0.010304641928042752 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641928042752 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641928042752 Energy: 0.010304641926571363 Energy: 0.010304641926571363 Energy: 0.348890704435758 Energy: 0.010304641926099407 Energy: 0.010304641926571363 Energy: 0.010304641927570796 Energy: 0.010304641926571363 Energy: 0.010304641926571363 Energy: 0.010304641927570796 Energy: 0.010304641926099407 Energy: 0.010304641926571363 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641926099407 Energy: 0.010304641926571363 minimum gb energy = 0.010304641926099407 eV minimum distance = 2.86368016335896 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.48071551168903964 Energy: 0.42387096070000196 Energy: 0.42387096250729045 Energy: 0.4402359760435379 Energy: 0.4396477757216382 Energy: 0.4396477651933836 Energy: 0.44254052615609013 Energy: 0.4308019414477298 Energy: 0.43080194144610473 Energy: 0.4527302249388525 Energy: 0.469562128976873 Energy: 0.46956214539708996 Energy: 0.4568394057624141 Energy: 0.4241868413135623 Energy: 0.42418684048511596 Energy: 0.41080978364169507 Energy: 0.43263810127699526 Energy: 0.43263810127959546 Energy: 0.44201538843244126 Energy: 0.42418683075543556 Energy: 0.4241868309321578 Energy: 0.4530255711012572 Energy: 0.47324754976790695 Energy: 0.4732476305518041 Energy: 0.4506276577520171 Energy: 0.4212656929758017 Energy: 0.42126569513396406 Energy: 0.45302556813609984 Energy: 0.45089793221453806 Energy: 0.4508980113061742 minimum gb energy = 0.41080978364169507 eV minimum distance = 2.51109302796804 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.49761450031067656 Energy: 0.443546394479827 Energy: 0.44354645101511936 Energy: 0.41923333573748994 Energy: 0.445798579712686 Energy: 0.4457985796333459 Energy: 0.45228409638121203 Energy: 0.44393045590339975 Energy: 0.4439309599575538 Energy: 0.45876344619840204 Energy: 0.4461620244162662 Energy: 0.4461620747845496 Energy: 0.4509946336801641 Energy: 0.44356031192237355 Energy: 0.4435603130765871 Energy: 0.48829159514972986 Energy: 0.44616206066960423 Energy: 0.4461620557086158 Energy: 0.43126177788261255 Energy: 0.44393033055202835 Energy: 0.4439303260991079 Energy: 0.44681869064943425 Energy: 0.44616209561489056 Energy: 0.4461620917855194 Energy: 0.4647166422754631 Energy: 0.4439303263499771 Energy: 0.44393067532629354 Energy: 0.44705907599192296 Energy: 0.45578073645393574 Energy: 0.45578073740560576 minimum gb energy = 0.41923333573748994 eV minimum distance = 2.56409845176888 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.516104150781552 Energy: 0.4562076449757605 Energy: 0.45620764668498814 Energy: 0.4644948141541251 Energy: 0.4706685127451493 Energy: 0.4706685125368914 Energy: 0.4905940191477632 Energy: 0.5116677749894133 Energy: 0.5116678296499149 Energy: 0.4723512017843033 Energy: 0.5588585535398869 Energy: 0.5588585181403655 Energy: 0.4815215459133488 Energy: 0.47473905042615994 Energy: 0.4747390996634723 Energy: 0.4412132711441472 Energy: 0.46653650599829594 Energy: 0.46653652590547834 Energy: 0.47860718406470076 Energy: 0.5118203347744845 Energy: 0.5118203097868715 Energy: 0.481539390952363 Energy: 0.5716714788710767 Energy: 0.5716714788699525 Energy: 0.5152036131749016 Energy: 0.5118203694102007 Energy: 0.5118204596043155 Energy: 0.46662711530889367 Energy: 0.4665365625893992 Energy: 0.4665365427886453 minimum gb energy = 0.4412132711441472 eV minimum distance = 2.56571836762841 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.5360238695517393 Energy: 0.47967656270713 Energy: 0.47967670481133334 Energy: 0.49378977545090635 Energy: 0.5542497015688448 Energy: 0.5542498318691521 Energy: 0.5051119499319414 Energy: 0.48804645327098334 Energy: 0.4880464528722955 Energy: 0.49194126147869977 Energy: 0.49358002392458306 Energy: 0.4935800450935478 Energy: 0.5052642247537705 Energy: 0.5444406246433369 Energy: 0.5444406060835306 Energy: 0.5240038035431512 Energy: 0.4835151627284613 Energy: 0.4835151455934992 Energy: 0.5052641663662223 Energy: 0.572245110042557 Energy: 0.5722451474521661 Energy: 0.48294458510042343 Energy: 0.4796766832400288 Energy: 0.4796766844215029 Energy: 0.5094947786544335 Energy: 0.48558978215618337 Energy: 0.4855897822141901 Energy: 0.49910682502000314 Energy: 0.5089419803546726 Energy: 0.5089420118601021 minimum gb energy = 0.47967656270713 eV minimum distance = 2.51726926671079 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.5579254660736161 Energy: 0.5074706783260038 Energy: 0.5074706948322876 Energy: 0.5312900621251099 Energy: 0.5072217024560486 Energy: 0.507221746780708 Energy: 0.5099426585207959 Energy: 0.5435096464469833 Energy: 0.5435096464253072 Energy: 0.5104132469009567 Energy: 0.5748171444657285 Energy: 0.5748171439068158 Energy: 0.5378626871236634 Energy: 0.5237031314582001 Energy: 0.5237031268211305 Energy: 0.47810829953011386 Energy: 0.5074899439301966 Energy: 0.507489943908963 Energy: 0.5378627998338174 Energy: 0.5077112013199057 Energy: 0.5077112009759037 Energy: 0.5378626904165151 Energy: 0.5480564208667483 Energy: 0.5480564406274181 Energy: 0.49261967592440364 Energy: 0.49542236822584573 Energy: 0.49542241721719316 Energy: 0.5280123889997717 Energy: 0.5212649909560775 Energy: 0.5212649893452521 minimum gb energy = 0.47810829953011386 eV minimum distance = 2.48560484580935 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.5854115603297099 Energy: 0.5233595191435427 Energy: 0.5233596514735607 Energy: 0.5337270267730027 Energy: 0.5244049078900465 Energy: 0.5244049264692081 Energy: 0.5449843219715065 Energy: 0.5334019090862676 Energy: 0.5334599632786129 Energy: 0.5320358929965654 Energy: 0.5169295595944062 Energy: 0.5169295617297629 Energy: 0.559148119503499 Energy: 0.5363148366490211 Energy: 0.5363148357635856 Energy: 0.5658194377817714 Energy: 0.5438522072537675 Energy: 0.5438522075093916 Energy: 0.5379806330108438 Energy: 0.5438522413072322 Energy: 0.5438522075273584 Energy: 0.5379604063272055 Energy: 0.585379640110537 Energy: 0.58537841286351 Energy: 0.5449843349391604 Energy: 0.5997818005744592 Energy: 0.5997815613593894 Energy: 0.5590309749241649 Energy: 0.5421448131822117 Energy: 0.5421448115046223 minimum gb energy = 0.5169295595944062 eV minimum distance = 2.49919606251939 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5920932652632233 Energy: 0.5533525839162347 Energy: 0.553352583436252 Energy: 0.5707542993256745 Energy: 0.5540752066519246 Energy: 0.5540752057415027 Energy: 0.5446402665164581 Energy: 0.5540752057992381 Energy: 0.5540752058628596 Energy: 0.5225044382548064 Energy: 0.5540752057620069 Energy: 0.5540752062209948 Energy: 0.5225044353876644 Energy: 0.5533957991321257 Energy: 0.5533957984676551 Energy: 0.5328083377529078 Energy: 0.5533957976165872 Energy: 0.553395798916391 Energy: 0.58979450921776 Energy: 0.55407520637144 Energy: 0.5540752057749568 Energy: 0.5446402547005466 Energy: 0.5540752057965401 Energy: 0.5540752057663235 Energy: 0.5707542771382139 Energy: 0.5540752066443704 Energy: 0.5540752057744173 Energy: 0.5920929879792468 Energy: 0.5533525838860671 Energy: 0.5533525834674987 minimum gb energy = 0.5225044353876644 eV minimum distance = 2.55074596557805 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.6186722747368216 Energy: 0.5834511039458242 Energy: 0.5834510677692542 Energy: 0.5907426214931217 Energy: 0.593468352303533 Energy: 0.5934683523029268 Energy: 0.6069114984761577 Energy: 0.5868653168961206 Energy: 0.5868653019206264 Energy: 0.6161617877846542 Energy: 0.5930173336808507 Energy: 0.5930173513974764 Energy: 0.606208546899538 Energy: 0.596400036897336 Energy: 0.5964001082533605 Energy: 0.6062084881177046 Energy: 0.5964001318418005 Energy: 0.596400110806121 Energy: 0.6161617904815992 Energy: 0.6539072558553715 Energy: 0.6539071672200959 Energy: 0.5884573228801 Energy: 0.5868650571886302 Energy: 0.586865370823255 Energy: 0.5703589444594249 Energy: 0.5828577748447874 Energy: 0.5828577731061987 Energy: 0.6186721397690851 Energy: 0.5786521688086674 Energy: 0.5786521689140648 minimum gb energy = 0.5703589444594249 eV minimum distance = 2.52313406837899 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.642634914034511 Energy: 0.6042721481228125 Energy: 0.6042720345436017 Energy: 0.6183667694286643 Energy: 0.6215220394999128 Energy: 0.6215219065946548 Energy: 0.6201266812466609 Energy: 0.6115979681958132 Energy: 0.6115987362850701 Energy: 0.5917605435948314 Energy: 0.6118528792723693 Energy: 0.6118528804735859 Energy: 0.6090351566242022 Energy: 0.6975834173736137 Energy: 0.6975834145683384 Energy: 0.6146010796842022 Energy: 0.6075646550994083 Energy: 0.6075646551213351 Energy: 0.618665996654641 Energy: 0.6371981025827793 Energy: 0.6371981986194075 Energy: 0.6081142168792052 Energy: 0.6583220721973939 Energy: 0.6583220721954567 Energy: 0.5621789233787412 Energy: 0.6139435115505841 Energy: 0.6139435094427678 Energy: 0.629510791755761 Energy: 0.6213529046786802 Energy: 0.6213528924681163 minimum gb energy = 0.5621789233787412 eV minimum distance = 2.50222311391601 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.6480032216153147 Energy: 0.6145430491432698 Energy: 0.6145430490113514 Energy: 0.6666647259686134 Energy: 0.6118852327882915 Energy: 0.6118853369948779 Energy: 0.6441653466872399 Energy: 0.6232077712137066 Energy: 0.6232076238766922 Energy: 0.6017819824371743 Energy: 0.6161506917532383 Energy: 0.6161507049524129 Energy: 0.6159340245498911 Energy: 0.6352202401284898 Energy: 0.6352202390876208 Energy: 0.5870937256795158 Energy: 0.6149244988602635 Energy: 0.6149243597300911 Energy: 0.602179003325608 Energy: 0.6999543528179712 Energy: 0.6999543624656153 Energy: 0.5722311914904488 Energy: 0.6161507588957029 Energy: 0.6161507813198167 Energy: 0.6199256014451883 Energy: 0.6245327599615831 Energy: 0.624532705648764 Energy: 0.6123023370645759 Energy: 0.6145430743895615 Energy: 0.6145430744400046 minimum gb energy = 0.5722311914904488 eV minimum distance = 2.53380359857578 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.6660052149625556 Energy: 0.6401272823890467 Energy: 0.6401272823905327 Energy: 0.5909941837373723 Energy: 0.6591195444596305 Energy: 0.6591194311854879 Energy: 0.5891250159748875 Energy: 0.6484966546005768 Energy: 0.6484967789801613 Energy: 0.6111144162178415 Energy: 0.6463861315853351 Energy: 0.6463861061202092 Energy: 0.6566661227810062 Energy: 0.6426693192317452 Energy: 0.64266971176681 Energy: 0.6515115675694569 Energy: 0.6549127301170363 Energy: 0.654913039419205 Energy: 0.6284551988897052 Energy: 0.6402041582982845 Energy: 0.6402041522628357 Energy: 0.6332957808608816 Energy: 0.647832539925344 Energy: 0.6478325443265966 Energy: 0.6478296797335854 Energy: 0.6804183377288402 Energy: 0.6804184281322744 Energy: 0.6352913297242962 Energy: 0.6585100050835082 Energy: 0.6585101903822038 minimum gb energy = 0.5891250159748875 eV minimum distance = 2.48428025008557 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.6588225163825784 Energy: 0.6583884910688068 Energy: 0.658388435153669 Energy: 0.6230132740972838 Energy: 0.6497180662065922 Energy: 0.649718071071472 Energy: 0.7035770403222097 Energy: 0.677103401400749 Energy: 0.6771034015155623 Energy: 0.6985425830864475 Energy: 0.6605805129838708 Energy: 0.6605805322402352 Energy: 0.6356778640016844 Energy: 0.6577557302497674 Energy: 0.6577562459584527 Energy: 0.6443339322005561 Energy: 0.6496675937197576 Energy: 0.6496677633054337 Energy: 0.6895228749288819 Energy: 0.6552291938310707 Energy: 0.6552292118332695 Energy: 0.6230131888941556 Energy: 0.6565673521250226 Energy: 0.6565675059879893 Energy: 0.6816976386920762 Energy: 0.6634915150125628 Energy: 0.6634905095679452 Energy: 0.6230132251964217 Energy: 0.6202623590616262 Energy: 0.6202623592462878 minimum gb energy = 0.6202623590616262 eV minimum distance = 2.44367227870455 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.6775383187766442 Energy: 0.6881986382240722 Energy: 0.6881987513374349 Energy: 0.6622266283763585 Energy: 0.7435752954416781 Energy: 0.7435753415211189 Energy: 0.6848380198756309 Energy: 0.6803632545388728 Energy: 0.680363259633229 Energy: 0.6912331913074159 Energy: 0.7398476207602661 Energy: 0.7398475975814118 Energy: 0.666814425524086 Energy: 0.6826691083557765 Energy: 0.6826691152193217 Energy: 0.6812183786632848 Energy: 0.6931805245347306 Energy: 0.6931805283033026 Energy: 0.6441119134738026 Energy: 0.684804456910252 Energy: 0.6848045660335688 Energy: 0.723100640371206 Energy: 0.6812159186819279 Energy: 0.6812169045957293 Energy: 0.7112374327290701 Energy: 0.6637773807851233 Energy: 0.6637773919235176 Energy: 0.6907397343238726 Energy: 0.6914775268195215 Energy: 0.6914775228202978 minimum gb energy = 0.6441119134738026 eV minimum distance = 2.41004578758506 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.6625536693834578 Energy: 0.687595528525218 Energy: 0.6875955290280802 Energy: 0.669043762301618 Energy: 0.6696744676026964 Energy: 0.6696744697568365 Energy: 0.7396182051087787 Energy: 0.6806416290302013 Energy: 0.680641629554123 Energy: 0.6435966839793573 Energy: 0.6658650130908313 Energy: 0.6658651318626716 Energy: 0.6435904480290602 Energy: 0.7058146640825749 Energy: 0.7058146645595643 Energy: 0.6353115798755222 Energy: 0.6908172127937984 Energy: 0.6908171772346549 Energy: 0.6268343862747051 Energy: 0.6922806100983381 Energy: 0.6922806539033525 Energy: 0.6268343862009419 Energy: 0.6353115753814293 Energy: 0.6353115816992194 Energy: 0.6651965620781461 Energy: 0.683296590925478 Energy: 0.6832965908364045 Energy: 0.6651965895580448 Energy: 0.6832965907578501 Energy: 0.6832965927146782 minimum gb energy = 0.6268343862009419 eV minimum distance = 2.48484528552083 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.6898904372059144 Energy: 0.7230358014619955 Energy: 0.723036348195927 Energy: 0.6782745176568256 Energy: 0.6848766229406507 Energy: 0.6848762483421201 Energy: 0.7159874012464212 Energy: 0.6808210596280158 Energy: 0.6802568538637299 Energy: 0.7061775688292232 Energy: 0.7135542604654684 Energy: 0.7135548763133968 Energy: 0.665876822973607 Energy: 0.7018346842411572 Energy: 0.7018357830268988 Energy: 0.7589985252566779 Energy: 0.7346573579364196 Energy: 0.7346573578027071 Energy: 0.6869549018748978 Energy: 0.70444319475882 Energy: 0.7044431757122679 Energy: 0.6677524896203898 Energy: 0.7159423877623664 Energy: 0.7159421470430408 Energy: 0.7432550431449789 Energy: 0.6919890741904212 Energy: 0.6919890754532131 Energy: 0.6492096501482705 Energy: 0.7044432524238019 Energy: 0.7044432472362229 minimum gb energy = 0.6492096501482705 eV minimum distance = 2.38499662945523 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6925255400342314 Energy: 0.729553448882328 Energy: 0.729553440822912 Energy: 0.7109850598806907 Energy: 0.7494167974380636 Energy: 0.7494167004719844 Energy: 0.6875453354399209 Energy: 0.7230664759906447 Energy: 0.7230664734987535 Energy: 0.757295442110211 Energy: 0.6928990788944187 Energy: 0.6929001203248161 Energy: 0.6974417368066802 Energy: 0.7180292315914721 Energy: 0.7180292352720956 Energy: 0.7687848601450504 Energy: 0.7051427048943769 Energy: 0.7051427039927941 Energy: 0.6975556714928034 Energy: 0.6962055349286745 Energy: 0.6962055349297345 Energy: 0.6637728845800152 Energy: 0.6962055362514422 Energy: 0.6962055368717531 Energy: 0.7145772993277886 Energy: 0.6959993638652153 Energy: 0.6959993434268035 Energy: 0.6906356853734686 Energy: 0.7130946791678603 Energy: 0.713094701446006 minimum gb energy = 0.6637728845800152 eV minimum distance = 2.38434117037448 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.7547327420444717 Energy: 0.7096413498900864 Energy: 0.7096411894726492 Energy: 0.6922392643980138 Energy: 0.699239161383282 Energy: 0.699239221871946 Energy: 0.7384518494284814 Energy: 0.6977613212601131 Energy: 0.6977616202620338 Energy: 0.7482667418537253 Energy: 0.7108851478100133 Energy: 0.7108852204865561 Energy: 0.6908294930029314 Energy: 0.7204423538457689 Energy: 0.7204423567717162 Energy: 0.7312178528116277 Energy: 0.739853246480116 Energy: 0.7398533160249567 Energy: 0.7438566909159101 Energy: 0.7042318049094721 Energy: 0.7042318048402879 Energy: 0.7208342398215739 Energy: 0.7283154884905166 Energy: 0.7283155012999548 Energy: 0.7303650367429257 Energy: 0.7089649619824281 Energy: 0.7089648595314267 Energy: 0.6571231399463716 Energy: 0.7103315783073904 Energy: 0.7103315946922353 minimum gb energy = 0.6571231399463716 eV minimum distance = 2.39126034847415 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.6802907093831577 Energy: 0.7288318781998588 Energy: 0.7288318782792038 Energy: 0.740473785459138 Energy: 0.6451853777250766 Energy: 0.6451853786940236 Energy: 0.8693599802431676 Energy: 0.7288318778397626 Energy: 0.7288318802088294 Energy: 0.6584128570973322 Energy: 0.7003299532609917 Energy: 0.7003299538947287 Energy: 0.7341218587479632 Energy: 0.7279212926627366 Energy: 0.727921275060576 Energy: 0.658413007722486 Energy: 0.7216521698807618 Energy: 0.7216536418021477 Energy: 0.7363065152118542 Energy: 0.733012292003328 Energy: 0.7330122919701731 Energy: 0.7682749409258074 Energy: 0.7216518692310095 Energy: 0.7216521277149481 Energy: 0.6696936426141067 Energy: 0.7288318789934979 Energy: 0.7288318780115152 Energy: 0.6597286830268789 Energy: 0.645185378664424 Energy: 0.645185377990422 minimum gb energy = 0.6451853777250766 eV minimum distance = 2.54732382362386 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.7362163166839953 Energy: 0.7087910988213535 Energy: 0.708791048348028 Energy: 0.6947860558929131 Energy: 0.7394978703708254 Energy: 0.7394976262561814 Energy: 0.7216995876699754 Energy: 0.7267014839917835 Energy: 0.7267015075344576 Energy: 0.7371622917143154 Energy: 0.7134572317086901 Energy: 0.7134572425253695 Energy: 0.7180131623525667 Energy: 0.7425049526114926 Energy: 0.742504975122583 Energy: 0.7302179364966436 Energy: 0.7208467816023654 Energy: 0.7208465825495598 Energy: 0.7329806278428288 Energy: 0.7094646928065153 Energy: 0.709464753985473 Energy: 0.722211785327684 Energy: 0.7337830076768256 Energy: 0.733783007461656 Energy: 0.7234485706060295 Energy: 0.7172910114648176 Energy: 0.7172910099326782 Energy: 0.7065696004824941 Energy: 0.713457161849527 Energy: 0.7134572352800765 minimum gb energy = 0.6947860558929131 eV minimum distance = 2.38835969755425 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.7428060367709042 Energy: 0.7273673078612142 Energy: 0.727367227822547 Energy: 0.6911950566428432 Energy: 0.7164698695716085 Energy: 0.7164698640129025 Energy: 0.803739005292235 Energy: 0.7393807707917016 Energy: 0.7393807707214403 Energy: 0.6893067748390027 Energy: 0.7273673524508524 Energy: 0.7273674542133267 Energy: 0.7147158982947578 Energy: 0.7272615095736016 Energy: 0.7272613866240093 Energy: 0.7944285097540137 Energy: 0.7370271847048141 Energy: 0.7370271999536946 Energy: 0.7090798650975084 Energy: 0.7167090208884713 Energy: 0.716709030532792 Energy: 0.6978152132752912 Energy: 0.7298681593224261 Energy: 0.7298690274086589 Energy: 0.6821928339116976 Energy: 0.7364809168886364 Energy: 0.7364810608693966 Energy: 0.7534127968529903 Energy: 0.729182267895364 Energy: 0.7291827141822446 minimum gb energy = 0.6821928339116976 eV minimum distance = 2.38463995550696 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.7168782963539857 Energy: 0.707898190959325 Energy: 0.7078981928813456 Energy: 0.6549348483301325 Energy: 0.7233185884543869 Energy: 0.7233185884483464 Energy: 0.6745401475299522 Energy: 0.6963663129172006 Energy: 0.6963691512719696 Energy: 0.7029111786576956 Energy: 0.6527097584918132 Energy: 0.6527096716010309 Energy: 0.8061481590061038 Energy: 0.7144578289516536 Energy: 0.7144578518307205 Energy: 0.8218247470571614 Energy: 0.7389591819361572 Energy: 0.7389591783383406 Energy: 0.6931486255323386 Energy: 0.6963665231567815 Energy: 0.6963663157630126 Energy: 0.7161090801800029 Energy: 0.7134603659205115 Energy: 0.7134603625031455 Energy: 0.6957241239931697 Energy: 0.7232385631101871 Energy: 0.7232385558293164 Energy: 0.6742622424878241 Energy: 0.7602428750400766 Energy: 0.760242846066842 minimum gb energy = 0.6527096716010309 eV minimum distance = 2.51562925724253 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.6953088779733674 Energy: 0.71377354560219 Energy: 0.7137736709097746 Energy: 0.8223237344225945 Energy: 0.6893916059376055 Energy: 0.6893916533461049 Energy: 0.7023517130631849 Energy: 0.7074320650764672 Energy: 0.7074320536809138 Energy: 0.6620947630160032 Energy: 0.759822174827407 Energy: 0.7598220260995031 Energy: 0.8140966305429316 Energy: 0.7291292768217206 Energy: 0.7291294762397366 Energy: 0.6620947233818215 Energy: 0.7842517008882743 Energy: 0.7842520854569005 Energy: 0.7023517146387257 Energy: 0.7074320642461401 Energy: 0.7074320686803868 Energy: 0.7752552974307235 Energy: 0.6893916067922687 Energy: 0.689391672822881 Energy: 0.6954808514462608 Energy: 0.7001581958156937 Energy: 0.7001583434718648 Energy: 0.8137451181114106 Energy: 0.7166354587716836 Energy: 0.7166529992798355 minimum gb energy = 0.6620947233818215 eV minimum distance = 2.45537584822894 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.7648912440420454 Energy: 0.707907676066679 Energy: 0.7079084732990277 Energy: 0.6821478821065271 Energy: 0.6999891896349476 Energy: 0.6999977598364862 Energy: 0.6871054710003899 Energy: 0.7024553017141394 Energy: 0.7024553180581808 Energy: 0.7919500576273654 Energy: 0.7089096010346863 Energy: 0.7089096047188027 Energy: 0.7886991766011318 Energy: 0.7221670931497397 Energy: 0.7221673978854763 Energy: 0.7295787782080623 Energy: 0.7089089586456767 Energy: 0.7089134759114243 Energy: 0.6871054165045972 Energy: 0.7024552842253794 Energy: 0.7024552842243018 Energy: 0.682148895152138 Energy: 0.6999925240376292 Energy: 0.7000291012309972 Energy: 0.764891175660455 Energy: 0.707907805055855 Energy: 0.7079076769338392 Energy: 0.6821476324543567 Energy: 0.6999943304975104 Energy: 0.700237122507634 minimum gb energy = 0.6821476324543567 eV minimum distance = 2.39974438316506 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5951537588644392 Energy: 0.7180822855291163 Energy: 0.7180822855522931 Energy: 0.6968820113599608 Energy: 0.607437265790043 Energy: 0.6074372634502284 Energy: 0.6054112484302893 Energy: 0.6362805387584541 Energy: 0.6362805387955373 Energy: 0.7560743021806532 Energy: 0.607437264125133 Energy: 0.6074373113109013 Energy: 0.5951537603965383 Energy: 0.7180822857237322 Energy: 0.7180822850040188 Energy: 0.6968820112704136 Energy: 0.6074372617204583 Energy: 0.6074372617204583 Energy: 0.6054112482974785 Energy: 0.636280538719861 Energy: 0.6362805387214062 Energy: 0.7560743728604702 Energy: 0.6595293355585379 Energy: 0.6595293314657764 Energy: 0.5951537591362763 Energy: 0.6559372440668418 Energy: 0.6559372946380546 Energy: 0.6968820113862279 Energy: 0.6245893478804871 Energy: 0.6245893458588284 minimum gb energy = 0.5951537588644392 eV minimum distance = 2.51961449426183 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.7491730711501119 Energy: 0.6911892897380775 Energy: 0.6911902367083236 Energy: 0.8279328994493828 Energy: 0.702119080235673 Energy: 0.7021190912526278 Energy: 0.6702993020534526 Energy: 0.7298482904628961 Energy: 0.7298484697017614 Energy: 0.730829352357775 Energy: 0.7063507720611197 Energy: 0.7063507740957145 Energy: 0.6856543133078356 Energy: 0.7154658634532601 Energy: 0.7154660016892405 Energy: 0.6773567238619216 Energy: 0.7144498731832692 Energy: 0.7144498674375923 Energy: 0.8517684550163696 Energy: 0.7152338496336779 Energy: 0.715233949020618 Energy: 0.7433259686211059 Energy: 0.7099297669118051 Energy: 0.7099297989366026 Energy: 0.8314629425804815 Energy: 0.6907643879305836 Energy: 0.6907642022164101 Energy: 0.6807416145899149 Energy: 0.7024817760596719 Energy: 0.7024815508975806 minimum gb energy = 0.6702993020534526 eV minimum distance = 2.4797992714128 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.7481499343401947 Energy: 0.7061305528038122 Energy: 0.7061303173169818 Energy: 0.6536694284448182 Energy: 0.6980581588797363 Energy: 0.6980576750393311 Energy: 0.6463959966420866 Energy: 0.6878208396168457 Energy: 0.6878207548479617 Energy: 0.6725045680524225 Energy: 0.7144787574633684 Energy: 0.7144771140001889 Energy: 0.7121868892992916 Energy: 0.7132735758165526 Energy: 0.7132740689911681 Energy: 0.8200580979469098 Energy: 0.6995858609853919 Energy: 0.6995860656443308 Energy: 0.8238660707203455 Energy: 0.6463959893195088 Energy: 0.6463959824158797 Energy: 0.8350032908570225 Energy: 0.6433568921372543 Energy: 0.643356960198896 Energy: 0.8029065651264896 Energy: 0.700249572530858 Energy: 0.7002495726714625 Energy: 0.7483258763366055 Energy: 0.6906744462841048 Energy: 0.6906749739677202 minimum gb energy = 0.6433568921372543 eV minimum distance = 2.46234564751329 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.6689295514744996 Energy: 0.7161572847312356 Energy: 0.7161573464745677 Energy: 0.8318434788720801 Energy: 0.6794914670745038 Energy: 0.679491315780643 Energy: 0.7258386318305245 Energy: 0.7304880782650759 Energy: 0.7304880999370167 Energy: 0.6887059254281851 Energy: 0.7205307686421405 Energy: 0.7205288537334125 Energy: 0.7437015108031404 Energy: 0.7280532827513824 Energy: 0.7280532762068703 Energy: 0.6919514956612618 Energy: 0.6997458805709209 Energy: 0.6997457791414867 Energy: 0.86914275955557 Energy: 0.7654536395892658 Energy: 0.7654536610462847 Energy: 0.6852692932365071 Energy: 0.7188039433756426 Energy: 0.7188028805248095 Energy: 0.7704514431478505 Energy: 0.704931032804041 Energy: 0.7049311392546099 Energy: 0.6804601884596574 Energy: 0.6940566812394099 Energy: 0.6940566938591305 minimum gb energy = 0.6689295514744996 eV minimum distance = 2.43287473351669 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.7501519931796214 Energy: 0.715202371533596 Energy: 0.7152031108093715 Energy: 0.7031295267232857 Energy: 0.7057832043018973 Energy: 0.7057828069300579 Energy: 0.7100636373151512 Energy: 0.7067535908014985 Energy: 0.7067552842290747 Energy: 0.6651324512121558 Energy: 0.7153858402445294 Energy: 0.7153863033444978 Energy: 0.7126273256974037 Energy: 0.7056649723045771 Energy: 0.7056637061260713 Energy: 0.6938973198228532 Energy: 0.672364746855551 Energy: 0.6723647201635484 Energy: 0.6780347755681755 Energy: 0.7181598172484491 Energy: 0.7181597802922983 Energy: 0.696914929914313 Energy: 0.7040011070446003 Energy: 0.704001057142571 Energy: 0.6972385260283593 Energy: 0.6723647449546767 Energy: 0.672359300570913 Energy: 0.6951043024059461 Energy: 0.7147951270887968 Energy: 0.7148025832742733 minimum gb energy = 0.6651324512121558 eV minimum distance = 2.43744525842603 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.6647123717505466 Energy: 0.7036078874622752 Energy: 0.7036079007097684 Energy: 0.7060642101268246 Energy: 0.6917391998091658 Energy: 0.6917388519010009 Energy: 0.7060643750542513 Energy: 0.6977810129983952 Energy: 0.6977810193115153 Energy: 0.7014838273024954 Energy: 0.7190335606725681 Energy: 0.7190335599025954 Energy: 0.8492569144873533 Energy: 0.6917139757495636 Energy: 0.6917139857312047 Energy: 0.7593225935181025 Energy: 0.6954618775301667 Energy: 0.6954621232149387 Energy: 0.8995209065391702 Energy: 0.6859046066606961 Energy: 0.6859044484245811 Energy: 0.7496018241692027 Energy: 0.7190242432976297 Energy: 0.7190196602487929 Energy: 0.6877007959593489 Energy: 0.7101908323346455 Energy: 0.7101912225691184 Energy: 0.6821903908127703 Energy: 0.700006854765958 Energy: 0.7000064594200618 minimum gb energy = 0.6647123717505466 eV minimum distance = 2.45789508999343 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.6930848705352181 Energy: 0.6867452418713265 Energy: 0.686745239317764 Energy: 0.6789266227657433 Energy: 0.7192823538873231 Energy: 0.7192837075563064 Energy: 0.7818764302615826 Energy: 0.6825857515059754 Energy: 0.6825855478342362 Energy: 0.7050524525086814 Energy: 0.708920580305169 Energy: 0.7089217261533097 Energy: 0.7006839759158099 Energy: 0.7541500621578298 Energy: 0.754150032576086 Energy: 0.7013421473398631 Energy: 0.7215125426088845 Energy: 0.7215121044691023 Energy: 0.8569581670651755 Energy: 0.6931523809689923 Energy: 0.6931525350543162 Energy: 0.7989101050330214 Energy: 0.6806765680926696 Energy: 0.6806765912504957 Energy: 0.7199870168371236 Energy: 0.6943328510982378 Energy: 0.694332826386215 Energy: 0.7050830476333948 Energy: 0.7193440940750336 Energy: 0.7193439310389153 minimum gb energy = 0.6789266227657433 eV minimum distance = 2.4258379703848 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.6823690778752584 Energy: 0.6865240920451836 Energy: 0.6865241379111877 Energy: 0.8402790689763988 Energy: 0.6944921747610717 Energy: 0.6944924218005162 Energy: 0.7763744985810916 Energy: 0.691554171204412 Energy: 0.6915536104873703 Energy: 0.6969390891144481 Energy: 0.7522702202978759 Energy: 0.7522656457076884 Energy: 0.692465895398822 Energy: 0.6915537777266935 Energy: 0.6915540937834996 Energy: 0.8694465329212272 Energy: 0.682019718428708 Energy: 0.6820198482889245 Energy: 0.6773454371219623 Energy: 0.6865238651173818 Energy: 0.6865239473807011 Energy: 0.7028131825158513 Energy: 0.6865243781375272 Energy: 0.6865243793258486 Energy: 0.8051092796986863 Energy: 0.7082208877757775 Energy: 0.7082210679987395 Energy: 0.6969390368117712 Energy: 0.7023395957204903 Energy: 0.7023389773908287 minimum gb energy = 0.6773454371219623 eV minimum distance = 2.45964114069629 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.696700798111383 Energy: 0.6929223110258074 Energy: 0.6929223402005332 Energy: 0.692783038496339 Energy: 0.704708461854957 Energy: 0.7047085797072276 Energy: 0.8366338181062695 Energy: 0.6795689458428078 Energy: 0.6795689458428078 Energy: 0.6837636872107672 Energy: 0.7072883510080237 Energy: 0.7072956952290115 Energy: 0.7005668464412625 Energy: 0.7291096450195962 Energy: 0.7291096032438437 Energy: 0.7358788355850935 Energy: 0.6846168689106383 Energy: 0.6846168694298406 Energy: 0.6882713590728798 Energy: 0.6909429745548488 Energy: 0.6909438870930883 Energy: 0.6896392771498068 Energy: 0.7224627218250491 Energy: 0.7224630366731987 Energy: 0.7082013659005185 Energy: 0.6886512512646671 Energy: 0.6888573580497727 Energy: 0.7485562527178279 Energy: 0.6839486945135403 Energy: 0.683948675487251 minimum gb energy = 0.6795689458428078 eV minimum distance = 2.42085364546187 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.6865399505565888 Energy: 0.6883900417050556 Energy: 0.6883899756056133 Energy: 0.699827874280305 Energy: 0.6883899968697006 Energy: 0.688389996870105 Energy: 0.6892917723076992 Energy: 0.689650576308993 Energy: 0.6896504168024581 Energy: 0.7391762396498179 Energy: 0.7007899446316304 Energy: 0.7008957517751915 Energy: 0.7647263547792341 Energy: 0.6757081687573425 Energy: 0.6757081596612563 Energy: 0.7707631288221158 Energy: 0.6972501351462318 Energy: 0.6972515203326661 Energy: 0.6708797822740147 Energy: 0.6902001094505426 Energy: 0.6902001095180369 Energy: 0.6708795935903888 Energy: 0.6862012013456578 Energy: 0.6862038361033802 Energy: 0.6848451669805748 Energy: 0.7257372401571806 Energy: 0.7257373254592998 Energy: 0.6708794556676576 Energy: 0.7032107064429939 Energy: 0.7032106842585416 minimum gb energy = 0.6708794556676576 eV minimum distance = 2.45541702053039 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.6875058661580131 Energy: 0.6989826297463143 Energy: 0.6989826298943599 Energy: 0.7477449429087218 Energy: 0.679710804878852 Energy: 0.6797094866409881 Energy: 0.6784251392091922 Energy: 0.6859658269051809 Energy: 0.6859646643458754 Energy: 0.7843371618888895 Energy: 0.6847582721887089 Energy: 0.6847561343306148 Energy: 0.700091889719186 Energy: 0.6908206436797059 Energy: 0.6908192839229679 Energy: 0.7643641220521292 Energy: 0.6976735452039265 Energy: 0.6976739658383307 Energy: 0.6893087129355314 Energy: 0.7074371407694845 Energy: 0.7057075978843486 Energy: 0.7371586576462744 Energy: 0.6799432397823261 Energy: 0.6799432548842979 Energy: 0.6925558198218323 Energy: 0.692968020836347 Energy: 0.6929665097181331 Energy: 0.7128088964216843 Energy: 0.7035536278585119 Energy: 0.7035536409748688 minimum gb energy = 0.6784251392091922 eV minimum distance = 2.41349102504172 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.6812848564690867 Energy: 0.6919639572967428 Energy: 0.6919255096020965 Energy: 0.6785087161037814 Energy: 0.6919635858126968 Energy: 0.6919432268888965 Energy: 0.6809479109088495 Energy: 0.6952081851539643 Energy: 0.6952080694101094 Energy: 0.6896189418605757 Energy: 0.6972481352140474 Energy: 0.697246260184904 Energy: 0.68747956243943 Energy: 0.6869838170790737 Energy: 0.6869838131758362 Energy: 0.6998786769884547 Energy: 0.674773417081333 Energy: 0.6747734522366081 Energy: 0.7259453242919087 Energy: 0.6747734880846206 Energy: 0.674773487875149 Energy: 0.7818370104704985 Energy: 0.6773490040270927 Energy: 0.6773490134577903 Energy: 0.7318616949042223 Energy: 0.6773489904515114 Energy: 0.6773490185049096 Energy: 0.7630493108389038 Energy: 0.6946340160255517 Energy: 0.6946301252757228 minimum gb energy = 0.674773417081333 eV minimum distance = 2.42385544700031 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.6532076763083302 Energy: 0.6375800907925748 Energy: 0.6375800907836109 Energy: 0.6811163629155289 Energy: 0.6628109845775652 Energy: 0.6628110047378918 Energy: 0.6873110515575611 Energy: 0.6538060489234094 Energy: 0.6538060488738215 Energy: 0.6532076763026439 Energy: 0.6325596207472299 Energy: 0.6325596207157689 Energy: 0.6532076763279715 Energy: 0.6722677759923511 Energy: 0.672267746542969 Energy: 0.6722677466124216 Energy: 0.66293704088096 Energy: 0.6629370408650184 Energy: 0.6498214885925722 Energy: 0.6538060487733548 Energy: 0.6538060491001078 Energy: 0.672267746528542 Energy: 0.6537563210012667 Energy: 0.6537563213753973 Energy: 0.6722677466272707 Energy: 0.6628109852566223 Energy: 0.6628109850253203 Energy: 0.6498214886299181 Energy: 0.6538060492785442 Energy: 0.6538060487934431 minimum gb energy = 0.6325596207157689 eV minimum distance = 2.51179071481123 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.6566020111769254 Energy: 0.7074685438376215 Energy: 0.7074683650668581 Energy: 0.6482918704364364 Energy: 0.6969907791905822 Energy: 0.6969907643140655 Energy: 0.644032891200952 Energy: 0.6717588611023485 Energy: 0.6717588613545978 Energy: 0.6438559680657944 Energy: 0.6717588612080926 Energy: 0.6717588645630815 Energy: 0.7182076686278468 Energy: 0.6436257386332667 Energy: 0.6436265536822205 Energy: 0.7789174995931176 Energy: 0.6429611115807746 Energy: 0.6429615714698331 Energy: 0.6545665458625624 Energy: 0.6541366529446137 Energy: 0.6541366386920834 Energy: 0.6488018122732628 Energy: 0.6875425266960872 Energy: 0.6875420734621096 Energy: 0.6456901932241418 Energy: 0.7014566243785118 Energy: 0.7014566243808112 Energy: 0.6454142253258421 Energy: 0.7259459340618621 Energy: 0.7259466497617173 minimum gb energy = 0.6429611115807746 eV minimum distance = 2.44081881657927 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.6545472322039834 Energy: 0.7089649525361749 Energy: 0.7089655453466391 Energy: 0.6430345527309195 Energy: 0.6861145015715663 Energy: 0.6861145026542187 Energy: 0.6704890554888718 Energy: 0.6407755371966216 Energy: 0.6407741987777915 Energy: 0.6430828140135906 Energy: 0.6859942200177209 Energy: 0.6859942350180529 Energy: 0.64308270271337 Energy: 0.6978960346323666 Energy: 0.6978961382617215 Energy: 0.7029587632304538 Energy: 0.6655053861025388 Energy: 0.6655051153692114 Energy: 0.6389862793100439 Energy: 0.6475091276911421 Energy: 0.6475083655402809 Energy: 0.6600112992483163 Energy: 0.6939680725630799 Energy: 0.6969103943813466 Energy: 0.6806017262416463 Energy: 0.6475089162251997 Energy: 0.6475089684214242 Energy: 0.7024861637731923 Energy: 0.6433572775202975 Energy: 0.6433572781005079 minimum gb energy = 0.6389862793100439 eV minimum distance = 2.50620654699353 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.652079471491411 Energy: 0.7277277348812521 Energy: 0.7277277714057474 Energy: 0.6352883223127564 Energy: 0.6363673098150311 Energy: 0.6363677638013653 Energy: 0.6400087834684499 Energy: 0.6413515217691272 Energy: 0.6413514595104393 Energy: 0.6428447446933989 Energy: 0.7062988970830637 Energy: 0.7062988834745921 Energy: 0.6340789590400606 Energy: 0.6882584142648429 Energy: 0.6882582556774192 Energy: 0.6888975725947224 Energy: 0.6401463709308111 Energy: 0.6401465089868923 Energy: 0.6387481969733798 Energy: 0.6886350379120881 Energy: 0.688635047315959 Energy: 0.6352115710649817 Energy: 0.7062978806824557 Energy: 0.706298457604792 Energy: 0.7020138705266309 Energy: 0.642154406990023 Energy: 0.6421532751613577 Energy: 0.6324858027440734 Energy: 0.6931029245647378 Energy: 0.6931032097435663 minimum gb energy = 0.6324858027440734 eV minimum distance = 2.4692786493519 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.6488801208329247 Energy: 0.7311837554932749 Energy: 0.7311846663072555 Energy: 0.6356524706076095 Energy: 0.7158603885671998 Energy: 0.7158579060625263 Energy: 0.6277798601267385 Energy: 0.6941148281596355 Energy: 0.6941149556654611 Energy: 0.635652485902291 Energy: 0.6464593792559958 Energy: 0.6464596129066844 Energy: 0.6680071855756747 Energy: 0.6350899091819394 Energy: 0.6350900979395545 Energy: 0.8163136504693694 Energy: 0.6224460726348536 Energy: 0.6224457739345537 Energy: 0.7736427503118247 Energy: 0.6277801837870375 Energy: 0.6277808815209618 Energy: 0.6228650711210508 Energy: 0.6338679927538228 Energy: 0.6338677444725658 Energy: 0.6401836479914236 Energy: 0.6873947145708132 Energy: 0.687394571905023 Energy: 0.6351300399758684 Energy: 0.6923861723543365 Energy: 0.6923861685100273 minimum gb energy = 0.6224457739345537 eV minimum distance = 2.44175895882076 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.6458543891520518 Energy: 0.7194524157110327 Energy: 0.7194524460024279 Energy: 0.7006579938793706 Energy: 0.6324670270285444 Energy: 0.6324669508299141 Energy: 0.6309604631472595 Energy: 0.7154401992661084 Energy: 0.7154404369983229 Energy: 0.8237662823497449 Energy: 0.6239136774861871 Energy: 0.6239136306164088 Energy: 0.6304242853815111 Energy: 0.686084321970218 Energy: 0.6860843005189543 Energy: 0.6506335478520792 Energy: 0.6280533037422922 Energy: 0.6280532691637901 Energy: 0.6229791737547955 Energy: 0.7430852123177424 Energy: 0.743082769541138 Energy: 0.6486207073652512 Energy: 0.6526718597598052 Energy: 0.6526717011582026 Energy: 0.6239135663316518 Energy: 0.6937345879490757 Energy: 0.6937345385150222 Energy: 0.7726627074563139 Energy: 0.6250185426847187 Energy: 0.625018535967852 minimum gb energy = 0.6229791737547955 eV minimum distance = 2.4766350793881 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.6368178798710972 Energy: 0.6966577529058535 Energy: 0.6966577533284181 Energy: 0.627557384949043 Energy: 0.6238330179650309 Energy: 0.6238332009980876 Energy: 0.6181646742106648 Energy: 0.6606829928724659 Energy: 0.6606831465629981 Energy: 0.6217343904629753 Energy: 0.652239080639477 Energy: 0.6522394083938344 Energy: 0.6702936942421863 Energy: 0.6189781037315657 Energy: 0.6189783198371035 Energy: 0.6224699551944654 Energy: 0.6402703077363632 Energy: 0.6402703053820114 Energy: 0.701734528937876 Energy: 0.6440990783208216 Energy: 0.6440991107967052 Energy: 0.618164679186221 Energy: 0.6303026585471104 Energy: 0.630302907612646 Energy: 0.612060867650241 Energy: 0.6831996547003227 Energy: 0.6831996547003227 Energy: 0.7315316883113399 Energy: 0.6321218622984867 Energy: 0.6321216083119103 minimum gb energy = 0.612060867650241 eV minimum distance = 2.47841959263452 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.6100417766974106 Energy: 0.7131218819906474 Energy: 0.7131218955068571 Energy: 0.5880273576431716 Energy: 0.635754280648516 Energy: 0.6357542782546843 Energy: 0.5911316118176355 Energy: 0.7070005993241106 Energy: 0.7070004940841667 Energy: 0.5880273565099218 Energy: 0.6548037335678794 Energy: 0.6548037473454194 Energy: 0.7248733612904906 Energy: 0.6175710021348084 Energy: 0.6175708715200309 Energy: 0.6870375855362185 Energy: 0.5957553891313924 Energy: 0.5957553928528051 Energy: 0.6891125430832744 Energy: 0.5957553903676734 Energy: 0.5957553878264172 Energy: 0.6100417250088249 Energy: 0.6548037371251274 Energy: 0.6548037698967176 Energy: 0.5880273740582763 Energy: 0.6977723644612207 Energy: 0.6977721964999369 Energy: 0.5911315822774784 Energy: 0.7131220127067803 Energy: 0.7131218738132522 minimum gb energy = 0.5880273565099218 eV minimum distance = 2.45743309414332 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.6147294738517808 Energy: 0.6696641625837185 Energy: 0.669664199891489 Energy: 0.6014987536414783 Energy: 0.6582013371809908 Energy: 0.6582013225124732 Energy: 0.6031870311705324 Energy: 0.6316142127818996 Energy: 0.6316141892387122 Energy: 0.6310887886663972 Energy: 0.6659449543718565 Energy: 0.6659452487773851 Energy: 0.7534789478791918 Energy: 0.5920266641834167 Energy: 0.5920269683022492 Energy: 0.639928130651877 Energy: 0.6078953517075654 Energy: 0.6078953510673353 Energy: 0.6078953295411593 Energy: 0.6325784219320825 Energy: 0.632578381133238 Energy: 0.5877138493915154 Energy: 0.6432862862500005 Energy: 0.6432861122716886 Energy: 0.5938294339904728 Energy: 0.7132764062394648 Energy: 0.713276704201019 Energy: 0.5917907130082537 Energy: 0.7005580568859017 Energy: 0.7005592242661975 minimum gb energy = 0.5877138493915154 eV minimum distance = 2.41852934778354 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.602919223761723 Energy: 0.6827020863123173 Energy: 0.6827019640045884 Energy: 0.586782146945363 Energy: 0.6029193206861357 Energy: 0.6029192379160802 Energy: 0.7143913931534526 Energy: 0.5918556391521412 Energy: 0.5918556508805711 Energy: 0.7040593691532204 Energy: 0.6340020757133864 Energy: 0.6340018309079902 Energy: 0.5894221645032166 Energy: 0.672266836158607 Energy: 0.6722668282709892 Energy: 0.5937871968191486 Energy: 0.6525317455154447 Energy: 0.6525316927573325 Energy: 0.5894222238464052 Energy: 0.5958778340002724 Energy: 0.5958778350351864 Energy: 0.6167690814839047 Energy: 0.5893105188540654 Energy: 0.5893105188551013 Energy: 0.5867822241548037 Energy: 0.5941724090891903 Energy: 0.5941725382191123 Energy: 0.5867820907849827 Energy: 0.6827019397747918 Energy: 0.6827020235207177 minimum gb energy = 0.5867820907849827 eV minimum distance = 2.42510168540647 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.6285798765402627 Energy: 0.6465770548167682 Energy: 0.6465770551100599 Energy: 0.5976176877257916 Energy: 0.6037312717795308 Energy: 0.6037312680194753 Energy: 0.5824731556135813 Energy: 0.7004390753618907 Energy: 0.700439126585983 Energy: 0.5831276685567494 Energy: 0.5752493076423102 Energy: 0.5752494170124393 Energy: 0.5757440262297406 Energy: 0.7038327425962152 Energy: 0.7038327436791361 Energy: 0.6857733863945299 Energy: 0.6055446462321668 Energy: 0.6055446061683556 Energy: 0.5748849154483484 Energy: 0.6849175452164207 Energy: 0.6852738531034447 Energy: 0.7162010770657155 Energy: 0.6201160701754431 Energy: 0.6201161016703243 Energy: 0.5817329206500976 Energy: 0.6631776510391297 Energy: 0.6631776510372561 Energy: 0.6943980235624462 Energy: 0.6144340259036636 Energy: 0.6144349756643828 minimum gb energy = 0.5748849154483484 eV minimum distance = 2.40396881929518 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.6160313278740654 Energy: 0.6659392685854838 Energy: 0.6659380116837378 Energy: 0.5712359615255158 Energy: 0.6652549706441159 Energy: 0.665254914714908 Energy: 0.5724008848169699 Energy: 0.6184123071923582 Energy: 0.6184119793155696 Energy: 0.6140348830046879 Energy: 0.5858553392988496 Energy: 0.5858553392997303 Energy: 0.5708513559998306 Energy: 0.6206088331486985 Energy: 0.6206088416933042 Energy: 0.5737957113418275 Energy: 0.6846062894008118 Energy: 0.6846062957624734 Energy: 0.5750302214030086 Energy: 0.6501339020413371 Energy: 0.6501346786199149 Energy: 0.5735210868155539 Energy: 0.650983843698194 Energy: 0.6509838150124407 Energy: 0.6424666603522213 Energy: 0.5973212639746216 Energy: 0.5973204324109046 Energy: 0.6575061197565581 Energy: 0.6082854754324566 Energy: 0.6082853617497167 minimum gb energy = 0.5708513559998306 eV minimum distance = 2.43700700922976 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.5265969293406074 Energy: 0.6712424051278778 Energy: 0.6712424047580714 Energy: 0.6529134604770324 Energy: 0.6061047021679278 Energy: 0.6061047021936451 Energy: 0.7763494880015505 Energy: 0.5443981756354932 Energy: 0.5443981668213369 Energy: 0.5356404780095626 Energy: 0.5443981594321996 Energy: 0.5443981585056663 Energy: 0.5356404785500583 Energy: 0.5443981584677371 Energy: 0.5443981636516643 Energy: 0.7763499804264838 Energy: 0.5356404787830238 Energy: 0.5356404849706826 Energy: 0.5356404872124976 Energy: 0.6061047023494277 Energy: 0.6061047022044864 Energy: 0.5265969371537577 Energy: 0.6028615491923047 Energy: 0.6028615493846613 Energy: 0.7679804618833043 Energy: 0.544398168858614 Energy: 0.5443981752467296 Energy: 0.6529135221165293 Energy: 0.544398158475868 Energy: 0.5443981585733938 minimum gb energy = 0.5265969293406074 eV minimum distance = 2.50771589270416 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.6253277060224846 Energy: 0.6470713899949956 Energy: 0.6470713907292119 Energy: 0.5396634710692357 Energy: 0.6693217958680363 Energy: 0.6693217997587796 Energy: 0.5399633648249497 Energy: 0.6490211143656281 Energy: 0.6490211128662926 Energy: 0.5442637524525273 Energy: 0.598099077317255 Energy: 0.5980990767479738 Energy: 0.5384870237505944 Energy: 0.5958479190163263 Energy: 0.5958479661359982 Energy: 0.5357990360132568 Energy: 0.6516694098407426 Energy: 0.6516695176276233 Energy: 0.5331392836711772 Energy: 0.5710566820808299 Energy: 0.5710566759908087 Energy: 0.6609483942179167 Energy: 0.5740680776149568 Energy: 0.5740680760908993 Energy: 0.6752536013406091 Energy: 0.6050396806126838 Energy: 0.6050375506141963 Energy: 0.5880872002575234 Energy: 0.5667293639693688 Energy: 0.5667293639477369 minimum gb energy = 0.5331392836711772 eV minimum distance = 2.36818928081979 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.5536014156768428 Energy: 0.6685157312443352 Energy: 0.6685157362340908 Energy: 0.5272781452062627 Energy: 0.5396413673180169 Energy: 0.5396412939372399 Energy: 0.5295222046782214 Energy: 0.5988742354753686 Energy: 0.5988739719143756 Energy: 0.5286507619027798 Energy: 0.6610375580803025 Energy: 0.6610378014341859 Energy: 0.5969274307575273 Energy: 0.5349641734651857 Energy: 0.5349642215634723 Energy: 0.5295223285311489 Energy: 0.6641185000595097 Energy: 0.6641182578335252 Energy: 0.53423968851803 Energy: 0.6042607771247458 Energy: 0.6042607771591524 Energy: 0.7478487189841694 Energy: 0.5346889635126977 Energy: 0.5346889201172704 Energy: 0.5405569842372512 Energy: 0.7149783660039509 Energy: 0.714978147334002 Energy: 0.5307559800400112 Energy: 0.6038673402769402 Energy: 0.6038674805667497 minimum gb energy = 0.5272781452062627 eV minimum distance = 2.43094652230949 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.5769330839074355 Energy: 0.6896233482892682 Energy: 0.6896236719845158 Energy: 0.5228814084215953 Energy: 0.5511428710622576 Energy: 0.5511428735211817 Energy: 0.5275309460614039 Energy: 0.5553997144949847 Energy: 0.5553997136121576 Energy: 0.5340694815507645 Energy: 0.6975352313104931 Energy: 0.6975354530989518 Energy: 0.55635433008268 Energy: 0.5804446207069817 Energy: 0.5804446211583352 Energy: 0.5228814067018716 Energy: 0.555399713390147 Energy: 0.555399713387307 Energy: 0.5359483028273372 Energy: 0.6982063715324451 Energy: 0.6982063744824829 Energy: 0.7172712182454739 Energy: 0.5827158573895769 Energy: 0.5827158573890089 Energy: 0.7074099797920259 Energy: 0.5252321545079893 Energy: 0.5252321497298431 Energy: 0.5353707300038072 Energy: 0.7025800676132578 Energy: 0.7025800676138259 minimum gb energy = 0.5228814067018716 eV minimum distance = 2.3458286789401 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.6160300660692981 Energy: 0.693091474992932 Energy: 0.6930913309020791 Energy: 0.5119569689790237 Energy: 0.5167955149568426 Energy: 0.5167956341572941 Energy: 0.5142522060376287 Energy: 0.6433083593571322 Energy: 0.6433083802581983 Energy: 0.5157720474840993 Energy: 0.687878542443494 Energy: 0.687878712650229 Energy: 0.5059520034751677 Energy: 0.5533655736368708 Energy: 0.5533655692008758 Energy: 0.6075717758360902 Energy: 0.5870555911157653 Energy: 0.5870555945991675 Energy: 0.5182885566991544 Energy: 0.6979177773587464 Energy: 0.6979177008031594 Energy: 0.6616264786325479 Energy: 0.5136083472590959 Energy: 0.5136086194938779 Energy: 0.521686639422843 Energy: 0.6488647216568408 Energy: 0.6488650097713371 Energy: 0.5142522465420415 Energy: 0.6431736946826384 Energy: 0.6431738836169382 minimum gb energy = 0.5059520034751677 eV minimum distance = 2.37194730241202 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5920865235179267 Energy: 0.6785660971774375 Energy: 0.6785660906642743 Energy: 0.5126537467968811 Energy: 0.5701710479927999 Energy: 0.570171047979666 Energy: 0.5812344751159221 Energy: 0.5872600505632769 Energy: 0.5872600388167255 Energy: 0.5183593603446501 Energy: 0.6609459472639535 Energy: 0.6609454437060783 Energy: 0.6536804183591775 Energy: 0.5370352372849647 Energy: 0.5370354329652715 Energy: 0.5138740942815362 Energy: 0.6532926363645362 Energy: 0.6532926367662926 Energy: 0.5129614628736885 Energy: 0.6358014163917871 Energy: 0.6358014163190486 Energy: 0.6146194994938273 Energy: 0.5418980842680229 Energy: 0.5418979874222312 Energy: 0.5162403931481259 Energy: 0.6826398660898658 Energy: 0.6826410442606231 Energy: 0.5812345469226702 Energy: 0.5888707823283637 Energy: 0.5888707822779291 minimum gb energy = 0.5126537467968811 eV minimum distance = 2.33301881158221 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.5710768392758002 Energy: 0.6274284877606502 Energy: 0.6274284641252569 Energy: 0.49894655043766445 Energy: 0.6967323875109144 Energy: 0.6967321998928943 Energy: 0.4891864956030996 Energy: 0.6600650155205473 Energy: 0.66006501547464 Energy: 0.4953471260978056 Energy: 0.6789319126453068 Energy: 0.678931912646284 Energy: 0.4890078117156242 Energy: 0.6638217637342476 Energy: 0.6638217637342476 Energy: 0.5016696768244489 Energy: 0.6056616724607722 Energy: 0.605661672615107 Energy: 0.54405085959047 Energy: 0.6734038221064758 Energy: 0.6734038067533034 Energy: 0.5710768353559533 Energy: 0.5888585733387792 Energy: 0.5888585736132682 Energy: 0.5440508726794577 Energy: 0.6734038034087529 Energy: 0.6734038582135397 Energy: 0.4891864961540099 Energy: 0.5482435495101345 Energy: 0.5482435484200406 minimum gb energy = 0.4890078117156242 eV minimum distance = 2.39066475856441 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.5702931499977619 Energy: 0.6525906126405154 Energy: 0.6525906395985012 Energy: 0.4753344235659402 Energy: 0.6251261618558245 Energy: 0.6251261613588258 Energy: 0.5168470186099122 Energy: 0.5127212374226526 Energy: 0.5127210537082703 Energy: 0.46928967696737484 Energy: 0.5858257932745008 Energy: 0.5858257977551803 Energy: 0.48126391549449815 Energy: 0.612604123530031 Energy: 0.6126041238051935 Energy: 0.4891360750017685 Energy: 0.6241010067204772 Energy: 0.6241009338591101 Energy: 0.47158873561250586 Energy: 0.5492500118827394 Energy: 0.5492500503103411 Energy: 0.6346376612052049 Energy: 0.510186616818772 Energy: 0.5101868115956602 Energy: 0.4742040765313611 Energy: 0.6458713590729943 Energy: 0.6458713590718026 Energy: 0.4761559965606921 Energy: 0.649054195666595 Energy: 0.6490542246587246 minimum gb energy = 0.46928967696737484 eV minimum distance = 2.2999147268647 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.5894565953502918 Energy: 0.6346386228679806 Energy: 0.6346386194895758 Energy: 0.4621629125263548 Energy: 0.5667915218672432 Energy: 0.5667915207578278 Energy: 0.7067689537521845 Energy: 0.557147160085376 Energy: 0.557147168859719 Energy: 0.47180204802919357 Energy: 0.5987652247616368 Energy: 0.5987650379761905 Energy: 0.4718020721376381 Energy: 0.6395536698034084 Energy: 0.6395534216596804 Energy: 0.46472495905061906 Energy: 0.6082260061556649 Energy: 0.6082261274415433 Energy: 0.6410876614903616 Energy: 0.4610848494462991 Energy: 0.46108484936491523 Energy: 0.5894566015609646 Energy: 0.5987651634539035 Energy: 0.5987652589166269 Energy: 0.4621629137411523 Energy: 0.6453735063532453 Energy: 0.6453739289964536 Energy: 0.4647249593594609 Energy: 0.6572518978795292 Energy: 0.6572518978833862 minimum gb energy = 0.46108484936491523 eV minimum distance = 2.38143734876827 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.6121715648993393 Energy: 0.6658415192716625 Energy: 0.6658415145420025 Energy: 0.5032067136830838 Energy: 0.5247632581129275 Energy: 0.5247632531542415 Energy: 0.46322323211377636 Energy: 0.680253601166053 Energy: 0.680253604491769 Energy: 0.5984410202058268 Energy: 0.45895329437664467 Energy: 0.45895340959210784 Energy: 0.46211293591981356 Energy: 0.6630523913886781 Energy: 0.6630524647490779 Energy: 0.5691835226608061 Energy: 0.48988255404801856 Energy: 0.48988267762168086 Energy: 0.46075104986073256 Energy: 0.6464974227531122 Energy: 0.6464978064457491 Energy: 0.6087473413425648 Energy: 0.48988280696769493 Energy: 0.4898826519073076 Energy: 0.4607511149089879 Energy: 0.6295834168862681 Energy: 0.6295844507254033 Energy: 0.5285358483019205 Energy: 0.48935267816858474 Energy: 0.4893523684431417 minimum gb energy = 0.45895329437664467 eV minimum distance = 2.28756218914231 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4661990889496904 Energy: 0.5879827736950767 Energy: 0.5879827388223788 Energy: 0.4408314012246038 Energy: 0.5957651933268682 Energy: 0.5957651819711023 Energy: 0.7441451707388953 Energy: 0.4432515599602058 Energy: 0.4432516003246808 Energy: 0.44325158108674245 Energy: 0.6445471526030586 Energy: 0.6445465213772 Energy: 0.4432515819867654 Energy: 0.5934653080768177 Energy: 0.5934651542265189 Energy: 0.4313741053488391 Energy: 0.6224611887171004 Energy: 0.6224611802841894 Energy: 0.4408313591652845 Energy: 0.44325156011046407 Energy: 0.4432515725668745 Energy: 0.46619905094973546 Energy: 0.6175609639136717 Energy: 0.6175606509005523 Energy: 0.4408313555643603 Energy: 0.5934650584203811 Energy: 0.5934652012817841 Energy: 0.42896161074387856 Energy: 0.516481415188883 Energy: 0.5164814359095977 minimum gb energy = 0.42896161074387856 eV minimum distance = 2.31656982964246 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.556456796717152 Energy: 0.6339419162992058 Energy: 0.6339419052231913 Energy: 0.4152513580693316 Energy: 0.6251918245222369 Energy: 0.6251919409951419 Energy: 0.41431389651356404 Energy: 0.525306981361266 Energy: 0.5253066295291399 Energy: 0.572619959184252 Energy: 0.46728876934825775 Energy: 0.46728874674058685 Energy: 0.5354517101362806 Energy: 0.5705529957271783 Energy: 0.5705526820992465 Energy: 0.42579018607716734 Energy: 0.6200031081623202 Energy: 0.6200029891378955 Energy: 0.42215481959579854 Energy: 0.5951792440003741 Energy: 0.5951787183174343 Energy: 0.6187487081549319 Energy: 0.5577956445225122 Energy: 0.5577961199961137 Energy: 0.48100779063819704 Energy: 0.42149310510605276 Energy: 0.42149310742145374 Energy: 0.4152478535666546 Energy: 0.5723416521424212 Energy: 0.5723416477119528 minimum gb energy = 0.41431389651356404 eV minimum distance = 2.31234236905358 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5657122460175456 Energy: 0.6223925771369897 Energy: 0.6223926980100146 Energy: 0.4437099334487747 Energy: 0.40342856806098093 Energy: 0.4034285660686888 Energy: 0.3982897775772475 Energy: 0.5756472137246149 Energy: 0.575647356375875 Energy: 0.3957074976880422 Energy: 0.41111334901832997 Energy: 0.411113307507925 Energy: 0.3982897755561775 Energy: 0.6027284921621389 Energy: 0.6027284921615133 Energy: 0.3982897749508774 Energy: 0.47310769642020917 Energy: 0.47310769214611237 Energy: 0.3969580884191811 Energy: 0.5660526652244876 Energy: 0.5660529993799542 Energy: 0.5657122494330579 Energy: 0.5741754135646899 Energy: 0.5741753959261036 Energy: 0.5452036583595804 Energy: 0.47310771424889386 Energy: 0.4731077356062684 Energy: 0.39828977583445746 Energy: 0.6283671022113767 Energy: 0.628366773287977 minimum gb energy = 0.3957074976880422 eV minimum distance = 2.35196382584834 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.5468812723463797 Energy: 0.6014105401590613 Energy: 0.6014105386356047 Energy: 0.4452107892934288 Energy: 0.4558642168575249 Energy: 0.45586420843662295 Energy: 0.3815593946843606 Energy: 0.5601129524669632 Energy: 0.5601129524661025 Energy: 0.391496186623663 Energy: 0.5843907661245521 Energy: 0.5843907661282822 Energy: 0.6596151963320673 Energy: 0.41735882046002176 Energy: 0.4173588191542615 Energy: 0.3861865767525102 Energy: 0.5965163719980372 Energy: 0.5965171001607982 Energy: 0.37738210816098716 Energy: 0.5432195205613961 Energy: 0.5432195193304705 Energy: 0.6034823110753823 Energy: 0.5009298249319994 Energy: 0.5009274275103118 Energy: 0.3854171426753034 Energy: 0.567018072648023 Energy: 0.5670180924873892 Energy: 0.37510371443046076 Energy: 0.5112814128618866 Energy: 0.5112809425610402 minimum gb energy = 0.37510371443046076 eV minimum distance = 2.29518501954411 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.5647336226535418 Energy: 0.5921382730226792 Energy: 0.5921382719870613 Energy: 0.4078152645873536 Energy: 0.5635382194383627 Energy: 0.5635382110833174 Energy: 0.3668260139730471 Energy: 0.4927246983163805 Energy: 0.4927245315545126 Energy: 0.5625201734114245 Energy: 0.5051100990948447 Energy: 0.5051098854606015 Energy: 0.3644531493976986 Energy: 0.4962062844357392 Energy: 0.49620622619994326 Energy: 0.36682601580328933 Energy: 0.5635382221930247 Energy: 0.563538222186135 Energy: 0.40781526183746136 Energy: 0.588729619059512 Energy: 0.5887300348331441 Energy: 0.5631708589437789 Energy: 0.562520980906141 Energy: 0.5625209804929057 Energy: 0.4421036349830625 Energy: 0.49680768674166287 Energy: 0.4968078501147785 Energy: 0.4300862300315441 Energy: 0.39329926437079105 Energy: 0.3932992454421796 minimum gb energy = 0.3644531493976986 eV minimum distance = 2.29670819300814 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.6044094034731807 Energy: 0.5939433061872267 Energy: 0.5939432707978489 Energy: 0.35474142855116936 Energy: 0.5900994691030295 Energy: 0.5900991106180681 Energy: 0.35428628929826705 Energy: 0.5385516690392477 Energy: 0.5385516870328634 Energy: 0.4387987420484278 Energy: 0.5418461421936244 Energy: 0.5418461705139795 Energy: 0.4387987417236318 Energy: 0.5173922969967676 Energy: 0.5173924211314391 Energy: 0.3524026707561107 Energy: 0.49950849038289463 Energy: 0.49950855472494343 Energy: 0.36665001653914037 Energy: 0.45641862516327625 Energy: 0.45641862491971286 Energy: 0.6288238914416934 Energy: 0.4774107862884522 Energy: 0.47741078625649624 Energy: 0.4319630291101248 Energy: 0.4647255108834696 Energy: 0.4647254451069388 Energy: 0.34871776080036326 Energy: 0.5115797321197937 Energy: 0.5105241218730753 minimum gb energy = 0.34871776080036326 eV minimum distance = 2.30566356936199 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.48366995072372304 Energy: 0.5811950714755897 Energy: 0.5811954212665589 Energy: 0.35768820293908116 Energy: 0.5190721509326248 Energy: 0.5190721494697542 Energy: 0.32936200574662255 Energy: 0.49819860851718306 Energy: 0.498187888037722 Energy: 0.3304180566517937 Energy: 0.4446726876339976 Energy: 0.4446725810201168 Energy: 0.4570074644212239 Energy: 0.4446725670525728 Energy: 0.44467560894280783 Energy: 0.33041805637610955 Energy: 0.40182347437638605 Energy: 0.40182370600213113 Energy: 0.4510862113652451 Energy: 0.5130680087321533 Energy: 0.5130680085759357 Energy: 0.4836699507875723 Energy: 0.519072151704039 Energy: 0.5190721493098804 Energy: 0.35768820162783166 Energy: 0.515152486518096 Energy: 0.5151524862392152 Energy: 0.34165295898522496 Energy: 0.5202891075000357 Energy: 0.5202891075730779 minimum gb energy = 0.32936200574662255 eV minimum distance = 2.47638281693076 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.5119198609356402 Energy: 0.5413554739886394 Energy: 0.5413554246826555 Energy: 0.5210988277516607 Energy: 0.3652465673990397 Energy: 0.3652465083597135 Energy: 0.3145681269732435 Energy: 0.48488540118258755 Energy: 0.4848854015269205 Energy: 0.3145681277832164 Energy: 0.4872198236209924 Energy: 0.4872197620738949 Energy: 0.3067818140946421 Energy: 0.41809371542344675 Energy: 0.41809457948508266 Energy: 0.3209207060454638 Energy: 0.48986616764958407 Energy: 0.48986615614501744 Energy: 0.4745380390460303 Energy: 0.41065772661093025 Energy: 0.4106581613699451 Energy: 0.5594458048113479 Energy: 0.5010695253139702 Energy: 0.5010695955163519 Energy: 0.4216003972750814 Energy: 0.5018462283698466 Energy: 0.5018459273322996 Energy: 0.3798145352396648 Energy: 0.4079744660915373 Energy: 0.4079730963197664 minimum gb energy = 0.3067818140946421 eV minimum distance = 2.29798428608652 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.5341579826699847 Energy: 0.5287122259495824 Energy: 0.5287122692159196 Energy: 0.44914614171278944 Energy: 0.44289431814494407 Energy: 0.44289451581660605 Energy: 0.2924688716528718 Energy: 0.34767498007514397 Energy: 0.3476749219416307 Energy: 0.30157578344356695 Energy: 0.46681081619094145 Energy: 0.46681081492112303 Energy: 0.2929908525600117 Energy: 0.4612525158184061 Energy: 0.4612531939364805 Energy: 0.3531737031738335 Energy: 0.3854304701307879 Energy: 0.3854304461408945 Energy: 0.31257324277435455 Energy: 0.46765703666498903 Energy: 0.46765703811527615 Energy: 0.5165276175802772 Energy: 0.464436214038233 Energy: 0.4644356236628252 Energy: 0.5000017702618541 Energy: 0.3367681685144693 Energy: 0.3367681475812196 Energy: 0.3015757833676948 Energy: 0.4762475228858559 Energy: 0.476246856880746 minimum gb energy = 0.2924688716528718 eV minimum distance = 2.54786914608002 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.5320411505227793 Energy: 0.5317943026576586 Energy: 0.5317943308297745 Energy: 0.3984808405308023 Energy: 0.524447519606138 Energy: 0.5244455539665617 Energy: 0.2837302326604879 Energy: 0.5135890817595894 Energy: 0.5135901847176136 Energy: 0.2817153427046117 Energy: 0.4419639180136335 Energy: 0.4419644610379005 Energy: 0.2817153518758708 Energy: 0.4405759180046165 Energy: 0.44057601944850144 Energy: 0.28373024893455767 Energy: 0.44983295633464954 Energy: 0.4498329956689055 Energy: 0.37851238046161656 Energy: 0.4405757879368653 Energy: 0.44057578793752267 Energy: 0.531826498344055 Energy: 0.419504982107954 Energy: 0.4195049800940657 Energy: 0.39435395307656074 Energy: 0.4382170004946586 Energy: 0.43821671073560675 Energy: 0.29633309806023594 Energy: 0.4195049884157269 Energy: 0.4195049884160556 minimum gb energy = 0.2817153427046117 eV minimum distance = 2.45249641498402 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.4719966041592141 Energy: 0.48907631251085576 Energy: 0.4890763125264636 Energy: 0.3506765249556635 Energy: 0.40546145257165406 Energy: 0.40546145257135396 Energy: 0.37163429430487704 Energy: 0.2717168417004427 Energy: 0.2717168416323354 Energy: 0.26056365821510563 Energy: 0.4170504538746079 Energy: 0.417050453582669 Energy: 0.27201317258562485 Energy: 0.4747106114306616 Energy: 0.4747151515002947 Energy: 0.26544428246055446 Energy: 0.40757915589649196 Energy: 0.4075791481586804 Energy: 0.5089007437972066 Energy: 0.2682968506447795 Energy: 0.2682968293926476 Energy: 0.5131961522817001 Energy: 0.4176174144448492 Energy: 0.41761727650581176 Energy: 0.35067625240894923 Energy: 0.4107163642791285 Energy: 0.4107163507146829 Energy: 0.26514941963255484 Energy: 0.4176172745730779 Energy: 0.41761723974209314 minimum gb energy = 0.26056365821510563 eV minimum distance = 2.51142292664476 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.5362102256805225 Energy: 0.4974814612252243 Energy: 0.49748133651521853 Energy: 0.5109492777283987 Energy: 0.3139481579006838 Energy: 0.3139481516291897 Energy: 0.2569757711780017 Energy: 0.3978277330417503 Energy: 0.39782773187290654 Energy: 0.24624175205090834 Energy: 0.361032757684425 Energy: 0.36103272410867737 Energy: 0.25697575512250687 Energy: 0.4004047943098584 Energy: 0.4004047929182631 Energy: 0.2516153027767173 Energy: 0.3720481733115208 Energy: 0.372049124815386 Energy: 0.32887019213263047 Energy: 0.4048335168933964 Energy: 0.4048335169334174 Energy: 0.486096190709015 Energy: 0.3903596675788401 Energy: 0.3903581790225446 Energy: 0.4136042042314129 Energy: 0.40111496909863537 Energy: 0.40111503871978177 Energy: 0.2540729861246069 Energy: 0.3990709952822939 Energy: 0.3990710338916469 minimum gb energy = 0.24624175205090834 eV minimum distance = 2.53472221307768 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.507921613114663 Energy: 0.47359052342729335 Energy: 0.4735906753165083 Energy: 0.3161247270017211 Energy: 0.38267795088394846 Energy: 0.38267795088445994 Energy: 0.28564106684962687 Energy: 0.36623334879601543 Energy: 0.36623426184209557 Energy: 0.2342303066646413 Energy: 0.3597869887924403 Energy: 0.35978641200255596 Energy: 0.24030003503907443 Energy: 0.3828879462582506 Energy: 0.3828878652527432 Energy: 0.24438199387960768 Energy: 0.41886735084250487 Energy: 0.4188661238323967 Energy: 0.3161247509917985 Energy: 0.3803066979684721 Energy: 0.3803066565932577 Energy: 0.5121689345977147 Energy: 0.36740577863463564 Energy: 0.36740577863463564 Energy: 0.483700279716 Energy: 0.2970598557708657 Energy: 0.2970598597800697 Energy: 0.3026683022884623 Energy: 0.3496255593068549 Energy: 0.3496259067093903 minimum gb energy = 0.2342303066646413 eV minimum distance = 2.44455035255225 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.48324637759388384 Energy: 0.4813272545789575 Energy: 0.4813271723255659 Energy: 0.3048460435156044 Energy: 0.3680962591662731 Energy: 0.36809639965830937 Energy: 0.23353144086196134 Energy: 0.3684638230802785 Energy: 0.3684638231612011 Energy: 0.23037947935603398 Energy: 0.3595470976775206 Energy: 0.35954974077611135 Energy: 0.22793475267382501 Energy: 0.34593914627944444 Energy: 0.34593930685401236 Energy: 0.36466467848150125 Energy: 0.2846704451656637 Energy: 0.28467047244381266 Energy: 0.42042332274736016 Energy: 0.305147962260764 Energy: 0.3051477509050306 Energy: 0.48794320147134146 Energy: 0.3622151185581959 Energy: 0.36221509359606135 Energy: 0.3506583824730875 Energy: 0.37363482148653876 Energy: 0.37363503277797566 Energy: 0.23782682656131407 Energy: 0.4096001651634434 Energy: 0.40960017040721963 minimum gb energy = 0.22793475267382501 eV minimum distance = 2.55506763967881 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011658146638501376 Energy: 0.011658146641956385 Energy: 0.011658146641249676 Energy: 0.011658146641249676 Energy: 0.17314888134858636 Energy: 0.1731488813478993 Energy: 0.5036935125265359 Energy: 0.17314888135031387 Energy: 0.17314888135031387 Energy: 0.011658146638835095 Energy: 0.1731488813499605 Energy: 0.17314888134893971 Energy: 0.011658146638835095 Energy: 0.17314888134962678 Energy: 0.1731488813513543 Energy: 0.011658146639522173 Energy: 0.17314888135031387 Energy: 0.1731488813506476 Energy: 0.011658146639522173 Energy: 0.17314888134893971 Energy: 0.1731488813513543 Energy: 0.011658146642290106 Energy: 0.01165814664160303 Energy: 0.011658146642290106 Energy: 0.01165814663918845 Energy: 0.1731488813506476 Energy: 0.17314888135168802 Energy: 0.5036935127447905 Energy: 0.17314888134962678 Energy: 0.17314888135100096 minimum gb energy = 0.011658146638501376 eV minimum distance = 2.83788686893277 Angstroms sigma value = 1