model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.050180745124819 cohesive_energy=3.5802830731630406 mass=26.981538 Isolated atom energy: -9.5367431640625e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.011098916982888665 Energy: 0.011382288905359307 Energy: 0.011382288905359307 Energy: 0.011402591808212596 Energy: 0.1697401754078803 Energy: 0.16974017541179443 Energy: 0.011338822986771087 Energy: 0.16974017540982347 Energy: 0.1697401754137376 Energy: 0.011311173629612516 Energy: 0.011410817806974028 Energy: 0.011410817806974028 Energy: 0.011369944635217302 Energy: 0.011353566318692443 Energy: 0.011353566318192768 Energy: 0.3513393199883597 Energy: 0.01134666329529844 Energy: 0.01134666329529844 Energy: 0.011369944634245718 Energy: 0.011353566318692443 Energy: 0.011353566318192768 Energy: 0.011311173629612516 Energy: 0.011410817806974028 Energy: 0.01141081780744594 Energy: 0.011338822985799503 Energy: 0.1697401754132379 Energy: 0.16974017541032319 Energy: 0.011402591807213253 Energy: 0.16974017542056644 Energy: 0.16974017541618044 minimum gb energy = 0.011098916982888665 eV minimum distance = 2.79906505074607 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.32667552052308546 Energy: 0.24264637026483768 Energy: 0.2426463702671126 Energy: 0.25957398954273253 Energy: 0.24266572909837433 Energy: 0.24266572909837433 Energy: 0.25218248658150444 Energy: 0.24455809645822887 Energy: 0.24455809645887888 Energy: 0.2538997712057026 Energy: 0.23762783264214216 Energy: 0.2376278326375923 Energy: 0.25745053882472174 Energy: 0.2426535735237233 Energy: 0.24265357351689848 Energy: 0.2571194915063115 Energy: 0.2466432693279467 Energy: 0.24664326932957167 Energy: 0.25508890771641635 Energy: 0.2426471308553825 Energy: 0.24264713085148262 Energy: 0.2607815793670322 Energy: 0.25109821404600224 Energy: 0.2510982140525021 Energy: 0.2574724762669377 Energy: 0.239410666051936 Energy: 0.23941066605388597 Energy: 0.26077628144600573 Energy: 0.2652991063693466 Energy: 0.2652991063628468 minimum gb energy = 0.2376278326375923 eV minimum distance = 2.57694023022896 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.3293474928755252 Energy: 0.25009945401080985 Energy: 0.2500994540111579 Energy: 0.2667584919747736 Energy: 0.25262435913102294 Energy: 0.2526243591317191 Energy: 0.2663423100945494 Energy: 0.25010884992973226 Energy: 0.2501088499290361 Energy: 0.2721354605132104 Energy: 0.2526329408125176 Energy: 0.2526329408125176 Energy: 0.26240526724829977 Energy: 0.25011958095496883 Energy: 0.25011958095392456 Energy: 0.31468233121191297 Energy: 0.2526223488336061 Energy: 0.2526223488339542 Energy: 0.2633917855397612 Energy: 0.25012141688113426 Energy: 0.2501214168814824 Energy: 0.26095125688932863 Energy: 0.25261028712255224 Energy: 0.2526102871222041 Energy: 0.25881905234096575 Energy: 0.25011010353067326 Energy: 0.2501101035289328 Energy: 0.2605938401701614 Energy: 0.25663924103044317 Energy: 0.25663924103044317 minimum gb energy = 0.25009945401080985 eV minimum distance = 2.63690017019106 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.33105978653625884 Energy: 0.2552248714699241 Energy: 0.2552248714669264 Energy: 0.2661632361378839 Energy: 0.2552541354723844 Energy: 0.25525413546676373 Energy: 0.26570091191266326 Energy: 0.26462674827217303 Energy: 0.26462674827741905 Energy: 0.2653051532870277 Energy: 0.29828684068640715 Energy: 0.2982868406815358 Energy: 0.26776284408743745 Energy: 0.2602794193665073 Energy: 0.26027941936201077 Energy: 0.26934696797930485 Energy: 0.25903890909516303 Energy: 0.2590389090895423 Energy: 0.26675667502115175 Energy: 0.2602498142443975 Energy: 0.26024981423765264 Energy: 0.2677727474200868 Energy: 0.28680407749934017 Energy: 0.2868040775012137 Energy: 0.2756369162836581 Energy: 0.2812944610490443 Energy: 0.28129446104717065 Energy: 0.26727904146205994 Energy: 0.2590055495994514 Energy: 0.2590055496054468 minimum gb energy = 0.2552248714669264 eV minimum distance = 2.63437205794547 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.33416943475027244 Energy: 0.2637268700518831 Energy: 0.2637268700514774 Energy: 0.27212116907678957 Energy: 0.2793974597651417 Energy: 0.2793974597643303 Energy: 0.2817367286449947 Energy: 0.2634118792846883 Energy: 0.2634118792846883 Energy: 0.2717844026095129 Energy: 0.26375908034629114 Energy: 0.2637590803471026 Energy: 0.27646371494837707 Energy: 0.28169650716252165 Energy: 0.28169650716089867 Energy: 0.31723655817757246 Energy: 0.26795138229011867 Energy: 0.26795138229011867 Energy: 0.27648516165533454 Energy: 0.26676697787061193 Energy: 0.2667669778698004 Energy: 0.2760794515581771 Energy: 0.2637597284424059 Energy: 0.26375972844281165 Energy: 0.2806150712074053 Energy: 0.2591128987544128 Energy: 0.2591128987548185 Energy: 0.2740378659495283 Energy: 0.26675974870662805 Energy: 0.2667597487070338 minimum gb energy = 0.2591128987544128 eV minimum distance = 2.6259989120945 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.3358661314146247 Energy: 0.2741985930460274 Energy: 0.27419859304248884 Energy: 0.2853732633669804 Energy: 0.27263112252126753 Energy: 0.2726311225217099 Energy: 0.28524803404997406 Energy: 0.2714921303022445 Energy: 0.2714921303009175 Energy: 0.28376983765750813 Energy: 0.28085708205842114 Energy: 0.2808570820566519 Energy: 0.2802230552845633 Energy: 0.28988611524463315 Energy: 0.289886115244211 Energy: 0.2831854445383561 Energy: 0.2742049428441419 Energy: 0.27420494284369956 Energy: 0.28021656689243835 Energy: 0.2834252394867272 Energy: 0.2834252394880542 Energy: 0.28021678864627714 Energy: 0.2799897560994287 Energy: 0.2799897560981018 Energy: 0.2824760362319327 Energy: 0.27149633645558985 Energy: 0.2714963364582438 Energy: 0.28020566050664797 Energy: 0.2726144238440686 Energy: 0.27261442384847173 minimum gb energy = 0.2714921303009175 eV minimum distance = 2.61266113202988 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.32890447430986997 Energy: 0.28108536318560906 Energy: 0.2810853631841506 Energy: 0.28488489752282864 Energy: 0.2811762740879646 Energy: 0.2811762740879646 Energy: 0.29049460495502316 Energy: 0.28410165650905145 Energy: 0.2841016565095375 Energy: 0.28671148530967483 Energy: 0.2777302308960624 Energy: 0.2777302308965485 Energy: 0.28861349519157015 Energy: 0.28903518080100526 Energy: 0.2890351808014914 Energy: 0.31972656749575695 Energy: 0.2900150646290595 Energy: 0.2900150646295456 Energy: 0.2922252332924397 Energy: 0.29008692871992986 Energy: 0.290086928720416 Energy: 0.2926412512243769 Energy: 0.28894710636658527 Energy: 0.28894710636707144 Energy: 0.2905327544728088 Energy: 0.3212099145376709 Energy: 0.32120991453669867 Energy: 0.2886381484639669 Energy: 0.2812066378734623 Energy: 0.2812066378739484 minimum gb energy = 0.2777302308960624 eV minimum distance = 2.60801570305163 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.34899957639785045 Energy: 0.30081421095769767 Energy: 0.30081421095985583 Energy: 0.3160406187633266 Energy: 0.3008115559859237 Energy: 0.30081155598484455 Energy: 0.30379965996640074 Energy: 0.300801162719289 Energy: 0.30080116272198665 Energy: 0.31269539594536266 Energy: 0.3008069718425383 Energy: 0.3008069718484732 Energy: 0.3173873014080325 Energy: 0.3007784122062071 Energy: 0.30077841220189083 Energy: 0.30848019341914806 Energy: 0.30090805491128125 Energy: 0.30090805490534633 Energy: 0.3304029979591105 Energy: 0.3008695306408203 Energy: 0.3008695306397413 Energy: 0.30366713161086695 Energy: 0.300889016319332 Energy: 0.3008890163139367 Energy: 0.31308572250891287 Energy: 0.3009122971455046 Energy: 0.30091229714982093 Energy: 0.3085991319210833 Energy: 0.3009065355416212 Energy: 0.3009065355437794 minimum gb energy = 0.30077841220189083 eV minimum distance = 2.60101017025447 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.3373089923832914 Energy: 0.3136582444910416 Energy: 0.3136582444922536 Energy: 0.3143465502208533 Energy: 0.31651147667749646 Energy: 0.3165114766768905 Energy: 0.3143462215384722 Energy: 0.31728570839013753 Energy: 0.31728570839134956 Energy: 0.3150644805222155 Energy: 0.31371883013812385 Energy: 0.31371883013933577 Energy: 0.3150931278846942 Energy: 0.31882657079882526 Energy: 0.3188265707994313 Energy: 0.33041218235203657 Energy: 0.3188427352766912 Energy: 0.3188427352748732 Energy: 0.3150915091736752 Energy: 0.3198835801584818 Energy: 0.3198835801584818 Energy: 0.31519638853440096 Energy: 0.3172689491625796 Energy: 0.3172689491625796 Energy: 0.3143697003970941 Energy: 0.31648808740323403 Energy: 0.31648808740262807 Energy: 0.3211480984933605 Energy: 0.31414998499445584 Energy: 0.3141499849938499 minimum gb energy = 0.3136582444910416 eV minimum distance = 2.57834125939293 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.36585768830023907 Energy: 0.32364129916685824 Energy: 0.3236412991665354 Energy: 0.3200622899671575 Energy: 0.3201662171143182 Energy: 0.32016621711593246 Energy: 0.32159169122328124 Energy: 0.32694410372172694 Energy: 0.32694410372334126 Energy: 0.32689061346886766 Energy: 0.3236531396550493 Energy: 0.3236531396547265 Energy: 0.32969493504773517 Energy: 0.3268996925758638 Energy: 0.3268996925758638 Energy: 0.3355053245763129 Energy: 0.32575138370828055 Energy: 0.3257513837079577 Energy: 0.335932608427966 Energy: 0.3236368517796058 Energy: 0.32363685177896007 Energy: 0.32965633562119817 Energy: 0.32802523167086584 Energy: 0.32802523167086584 Energy: 0.3216887397362783 Energy: 0.3274927321378091 Energy: 0.3274927321381319 Energy: 0.32469493521104326 Energy: 0.3243900461465207 Energy: 0.3243900461468436 minimum gb energy = 0.3200622899671575 eV minimum distance = 2.57746354969468 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.3509387574568423 Energy: 0.3253940058176571 Energy: 0.3253940058114387 Energy: 0.3251221335901008 Energy: 0.3362134860256546 Energy: 0.33621348602427276 Energy: 0.3364157916605251 Energy: 0.3251733912606914 Energy: 0.3251733912641461 Energy: 0.32275179540499804 Energy: 0.3251872932430319 Energy: 0.3251872932444138 Energy: 0.32418173102156594 Energy: 0.3333181478464535 Energy: 0.333318147840235 Energy: 0.3244694613044976 Energy: 0.3251304655668876 Energy: 0.3251304655648148 Energy: 0.3251507762378964 Energy: 0.32922526423908705 Energy: 0.3292252642425417 Energy: 0.3246605073630033 Energy: 0.3254539170801902 Energy: 0.32545391707673554 Energy: 0.33642624445039404 Energy: 0.3282761089629162 Energy: 0.3282761089615343 Energy: 0.32504365846634425 Energy: 0.32518380991115037 Energy: 0.32518380991115037 minimum gb energy = 0.32275179540499804 eV minimum distance = 2.57888475246984 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.3692301744758815 Energy: 0.3381137058544159 Energy: 0.3381137058529301 Energy: 0.3268010957559382 Energy: 0.34108240548062085 Energy: 0.34108240544161844 Energy: 0.33285394408312546 Energy: 0.33942645811996736 Energy: 0.33942645812145317 Energy: 0.32378795463210774 Energy: 0.341906967740052 Energy: 0.341906967740795 Energy: 0.33096023024943605 Energy: 0.33811374280153106 Energy: 0.33811374280153106 Energy: 0.3456144445928974 Energy: 0.3411119797473667 Energy: 0.34111197974699525 Energy: 0.3350977523479987 Energy: 0.33720182851243685 Energy: 0.33720182851317976 Energy: 0.33009517998916704 Energy: 0.3394794056019313 Energy: 0.33947940560155987 Energy: 0.33113534146182727 Energy: 0.338706642057177 Energy: 0.3387066420582914 Energy: 0.32788528326857996 Energy: 0.3413024920002108 Energy: 0.34130249199946777 minimum gb energy = 0.32378795463210774 eV minimum distance = 2.54256817901505 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.3397248632938001 Energy: 0.34096876455235003 Energy: 0.34096876455235003 Energy: 0.33182253892464975 Energy: 0.33185427138599466 Energy: 0.33185427137314344 Energy: 0.3693347128953911 Energy: 0.34630737101167863 Energy: 0.34630737101167863 Energy: 0.3715013597356666 Energy: 0.34047798709747684 Energy: 0.34047798709828003 Energy: 0.3317955010971435 Energy: 0.3431623085639639 Energy: 0.3431623085631607 Energy: 0.32969115669240767 Energy: 0.3308868757559594 Energy: 0.3308868757559594 Energy: 0.3354174608987243 Energy: 0.34104600285769715 Energy: 0.3410460028585004 Energy: 0.3299342596048834 Energy: 0.339881757948634 Energy: 0.33988175795024045 Energy: 0.37147675752397513 Energy: 0.32942699053451124 Energy: 0.3294269905353145 Energy: 0.33180491723435634 Energy: 0.33989409359590367 Energy: 0.33989409359590367 minimum gb energy = 0.32942699053451124 eV minimum distance = 2.48839227199309 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.3720455529586133 Energy: 0.35593176483864153 Energy: 0.35593176483864153 Energy: 0.3398702625383605 Energy: 0.3578665026973541 Energy: 0.357866502697791 Energy: 0.3472683217005038 Energy: 0.3425093880156026 Energy: 0.3425093880151656 Energy: 0.3625615728530969 Energy: 0.3604767108204434 Energy: 0.3604767108208804 Energy: 0.342938282756813 Energy: 0.341538932604183 Energy: 0.3415389326046199 Energy: 0.35776744382069947 Energy: 0.34200875667909514 Energy: 0.3420087566795322 Energy: 0.3422618478160773 Energy: 0.3368010808351738 Energy: 0.3368010808329889 Energy: 0.37414922485493574 Energy: 0.3405849751499919 Energy: 0.34058497514911795 Energy: 0.34114733717914286 Energy: 0.34382373071323336 Energy: 0.3438237307136704 Energy: 0.36615453251345237 Energy: 0.3420000584852119 Energy: 0.34200005848564885 minimum gb energy = 0.3368010808329889 eV minimum distance = 2.48262494900098 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.3478081877343 Energy: 0.3481953421640216 Energy: 0.3481953421630635 Energy: 0.32317238522264746 Energy: 0.35229448801816626 Energy: 0.35229448801912444 Energy: 0.3868758854472216 Energy: 0.3576851405643869 Energy: 0.3576851405672613 Energy: 0.3418116208755215 Energy: 0.33041011624704125 Energy: 0.3304101162460831 Energy: 0.34187684867946105 Energy: 0.35768901322271984 Energy: 0.3576890132217617 Energy: 0.3318003634067215 Energy: 0.35238889290652775 Energy: 0.35238889290652775 Energy: 0.3231810272177479 Energy: 0.35235155414888897 Energy: 0.3523515541450563 Energy: 0.32316036187249875 Energy: 0.3353375822162232 Energy: 0.335337582215265 Energy: 0.3418206230783684 Energy: 0.361725730453769 Energy: 0.3617257304528108 Energy: 0.34167587340576955 Energy: 0.36172272273357525 Energy: 0.3617227227326171 minimum gb energy = 0.32316036187249875 eV minimum distance = 2.55279588178006 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.37705566708419735 Energy: 0.3743636102313434 Energy: 0.3743636102316847 Energy: 0.3522177479134556 Energy: 0.3437289957209541 Energy: 0.3437289957209541 Energy: 0.3522177224549271 Energy: 0.3419955822589618 Energy: 0.34199558225964427 Energy: 0.35148509462478045 Energy: 0.37439976334467623 Energy: 0.3743997633470648 Energy: 0.3522257702900153 Energy: 0.34247362603516845 Energy: 0.34247362603585085 Energy: 0.3522109291432138 Energy: 0.3507172169282165 Energy: 0.3507172169278753 Energy: 0.3390582947839095 Energy: 0.37440999251627144 Energy: 0.37440999251593016 Energy: 0.3559855724639613 Energy: 0.3691306904759661 Energy: 0.369130690477331 Energy: 0.352213834729903 Energy: 0.3471992753913481 Energy: 0.3471992753920306 Energy: 0.3328831448155939 Energy: 0.37462557213028613 Energy: 0.37462557213062736 minimum gb energy = 0.3328831448155939 eV minimum distance = 2.49477601360942 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.3505786723159424 Energy: 0.35794892996636374 Energy: 0.3579489396501982 Energy: 0.35227198101091595 Energy: 0.38148730131791214 Energy: 0.381487301311553 Energy: 0.35021312904563356 Energy: 0.37584855357633634 Energy: 0.3758485535795159 Energy: 0.34779054799908143 Energy: 0.3490920163515599 Energy: 0.3490920163536796 Energy: 0.3419621940863252 Energy: 0.36937602315428575 Energy: 0.3693760231473967 Energy: 0.40161143211412675 Energy: 0.3477520682688748 Energy: 0.3477520682725843 Energy: 0.36192794660178174 Energy: 0.35035021926849064 Energy: 0.35035021926425125 Energy: 0.34071054436830955 Energy: 0.3503124560684709 Energy: 0.35031245606476136 Energy: 0.38654672031624265 Energy: 0.35714515779962047 Energy: 0.3571451578038599 Energy: 0.33704614774520186 Energy: 0.37832226690252263 Energy: 0.3783222669035825 minimum gb energy = 0.33704614774520186 eV minimum distance = 2.51202448909102 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.37823031261911777 Energy: 0.3590914139157744 Energy: 0.3590914139113801 Energy: 0.3370355702581701 Energy: 0.35917386494257264 Energy: 0.3591738649418402 Energy: 0.33702913659189665 Energy: 0.3578871929347477 Energy: 0.3578871929424378 Energy: 0.337029077051914 Energy: 0.3390786238956082 Energy: 0.3390786238978054 Energy: 0.3322207217826665 Energy: 0.37760797855564043 Energy: 0.37760797855564043 Energy: 0.3624944507119863 Energy: 0.3457293469957907 Energy: 0.3457293469954245 Energy: 0.37263166255760755 Energy: 0.34729875518157904 Energy: 0.34729875518194514 Energy: 0.3572124642186604 Energy: 0.38331529340990755 Energy: 0.3833152934055132 Energy: 0.35727825936398694 Energy: 0.3575228175505964 Energy: 0.3575228175505964 Energy: 0.3298095589328763 Energy: 0.35748278377548176 Energy: 0.35748278377255216 minimum gb energy = 0.3298095589328763 eV minimum distance = 2.45612911378493 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.3267026034500896 Energy: 0.37725904200415084 Energy: 0.37725904200415084 Energy: 0.399211110400412 Energy: 0.3150809037290378 Energy: 0.3150809037290378 Energy: 0.3836144766128533 Energy: 0.37717411453830463 Energy: 0.37717411453830463 Energy: 0.31505801599019284 Energy: 0.3187810965937092 Energy: 0.3187810965948941 Energy: 0.32040803003370644 Energy: 0.3760128874837994 Energy: 0.37601288748498435 Energy: 0.3150833913428822 Energy: 0.3907151614894345 Energy: 0.3907151615048389 Energy: 0.38351553302525754 Energy: 0.37591479799191924 Energy: 0.3759147979931042 Energy: 0.31512868050103265 Energy: 0.33171104742240376 Energy: 0.33171104742240376 Energy: 0.3150761665959322 Energy: 0.377170135404885 Energy: 0.3771701354037 Energy: 0.3188176627447594 Energy: 0.3150543446903553 Energy: 0.3150543446903553 minimum gb energy = 0.3150543446903553 eV minimum distance = 2.60703405540475 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.37641406761038865 Energy: 0.3504891192768613 Energy: 0.3504891192787496 Energy: 0.3337318895713254 Energy: 0.38098856302515144 Energy: 0.38098856302137496 Energy: 0.34754209645680795 Energy: 0.36799293804675615 Energy: 0.3679929380423502 Energy: 0.3473524545850144 Energy: 0.35855255147351733 Energy: 0.35855255147005544 Energy: 0.35109870314589353 Energy: 0.3831424415513865 Energy: 0.38314244155044236 Energy: 0.36981102468725535 Energy: 0.37620269822337526 Energy: 0.3762026982218302 Energy: 0.34358177318757804 Energy: 0.35699508095608934 Energy: 0.35699508095766286 Energy: 0.328985831108734 Energy: 0.3370009028192434 Energy: 0.3370009028154954 Energy: 0.348263219135037 Energy: 0.37386213156316167 Energy: 0.37386213156536463 Energy: 0.35216153055142885 Energy: 0.3585550000520023 Energy: 0.3585550000529465 minimum gb energy = 0.328985831108734 eV minimum distance = 2.49296648947937 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.38143708311241475 Energy: 0.3434739394604781 Energy: 0.34347393946345817 Energy: 0.347352011941115 Energy: 0.3766454351175012 Energy: 0.3766454351179297 Energy: 0.35135821090160274 Energy: 0.3763905149573278 Energy: 0.3763905149581848 Energy: 0.34728266016950027 Energy: 0.3434965575219295 Energy: 0.3434965575219295 Energy: 0.33072071673459225 Energy: 0.3434661459722346 Energy: 0.34346614599192626 Energy: 0.35554323650909714 Energy: 0.36441301984743635 Energy: 0.36441301984872193 Energy: 0.35424259435004646 Energy: 0.37673016138424104 Energy: 0.376730161379547 Energy: 0.347341621913257 Energy: 0.3435036965438519 Energy: 0.3435036965455659 Energy: 0.33065082782859717 Energy: 0.36441261869715974 Energy: 0.3644126186958742 Energy: 0.4003797841925177 Energy: 0.335332489069539 Energy: 0.33533248906996754 minimum gb energy = 0.33065082782859717 eV minimum distance = 2.46784572799555 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.37045338671268596 Energy: 0.3383949339600947 Energy: 0.33839493395808135 Energy: 0.32508008760217283 Energy: 0.35129178025275126 Energy: 0.35129178025342234 Energy: 0.325049032477971 Energy: 0.3661587794840646 Energy: 0.366158779486078 Energy: 0.36291816501463575 Energy: 0.32507497552824965 Energy: 0.3250749755275785 Energy: 0.410969590088609 Energy: 0.32894656667116845 Energy: 0.32894656670807904 Energy: 0.4258961810299166 Energy: 0.3727540340786804 Energy: 0.3727540340793515 Energy: 0.3250984598504678 Energy: 0.3661286507231504 Energy: 0.3661286507224793 Energy: 0.3546507684573532 Energy: 0.32505690790802405 Energy: 0.32505690791137953 Energy: 0.36839016160587545 Energy: 0.33839435558963843 Energy: 0.3383943555882962 Energy: 0.3250450740157113 Energy: 0.37712299192428034 Energy: 0.3771229919262936 minimum gb energy = 0.3250450740157113 eV minimum distance = 2.55981705116996 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.36953282253191894 Energy: 0.3461485426854027 Energy: 0.346148542684488 Energy: 0.3895678557320927 Energy: 0.3755671274653832 Energy: 0.3755671274625754 Energy: 0.34417069046710475 Energy: 0.3619892312059621 Energy: 0.36198923120970583 Energy: 0.31912403492524927 Energy: 0.3864243047821845 Energy: 0.3864243047545746 Energy: 0.423636878808943 Energy: 0.38523205748457556 Energy: 0.3852320574859795 Energy: 0.3191241114543213 Energy: 0.3806627225671716 Energy: 0.38066272256810746 Energy: 0.3465274894769625 Energy: 0.3507869285492114 Energy: 0.35078692854967936 Energy: 0.36460313341983663 Energy: 0.3569613168498062 Energy: 0.3569613168474876 Energy: 0.3695277334906324 Energy: 0.3461416435205741 Energy: 0.34614164352151006 Energy: 0.410221694730265 Energy: 0.3740492128704092 Energy: 0.37404921287368503 minimum gb energy = 0.31912403492524927 eV minimum distance = 2.52705943484702 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.38346256987386657 Energy: 0.383752129664807 Energy: 0.3837521296655253 Energy: 0.3488645957983934 Energy: 0.3738132905234727 Energy: 0.37381329052167667 Energy: 0.3424421867056932 Energy: 0.36853289599599737 Energy: 0.36853289599563815 Energy: 0.34661323206113914 Energy: 0.38088396339371583 Energy: 0.38088396339371583 Energy: 0.42984943922701757 Energy: 0.3856216511284341 Energy: 0.38562165112879326 Energy: 0.3466139928053631 Energy: 0.3808665208584484 Energy: 0.3808665208570115 Energy: 0.342441055353905 Energy: 0.3685184444308662 Energy: 0.36851844443230297 Energy: 0.34887218535358316 Energy: 0.3738137479588004 Energy: 0.3738137479591596 Energy: 0.38353854260547604 Energy: 0.3837522939601014 Energy: 0.3837522939601014 Energy: 0.3488510944269237 Energy: 0.3738107565908636 Energy: 0.3738107565908636 minimum gb energy = 0.342441055353905 eV minimum distance = 2.48527752184731 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.29562630403926976 Energy: 0.2956162515243108 Energy: 0.2956162515181309 Energy: 0.3695040112714991 Energy: 0.31434868306366714 Energy: 0.31434868306521213 Energy: 0.3045431148186087 Energy: 0.32454366497886794 Energy: 0.3245436703391366 Energy: 0.3717733477535005 Energy: 0.3143535498278532 Energy: 0.3143535498293981 Energy: 0.2957091781923211 Energy: 0.29560516578110957 Energy: 0.2956051657795645 Energy: 0.3830228424955047 Energy: 0.3143802353658712 Energy: 0.3143802353643262 Energy: 0.3046585734581154 Energy: 0.32460497562364415 Energy: 0.32460497562364415 Energy: 0.3717929041296336 Energy: 0.32745945376280106 Energy: 0.32745945376434604 Energy: 0.29562204620762816 Energy: 0.2956306695103924 Energy: 0.29563066950730243 Energy: 0.383018381334758 Energy: 0.32746280426702856 Energy: 0.32746280426857355 minimum gb energy = 0.2956051657795645 eV minimum distance = 2.5745132587045 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.3795757196523884 Energy: 0.36301951750432776 Energy: 0.36301951749479705 Energy: 0.4376195206765444 Energy: 0.36744885750749917 Energy: 0.36744885750914236 Energy: 0.35284485239782676 Energy: 0.37628051274924923 Energy: 0.37628051274793467 Energy: 0.3600546759370902 Energy: 0.378063983407842 Energy: 0.37806398340882785 Energy: 0.3584403489366849 Energy: 0.3793341434550256 Energy: 0.37933414346028393 Energy: 0.351774927304292 Energy: 0.36960225383368717 Energy: 0.3696022538317153 Energy: 0.4510936882872411 Energy: 0.3834703810514846 Energy: 0.3834703810527992 Energy: 0.37609136338830756 Energy: 0.3895165289656745 Energy: 0.38951652897290473 Energy: 0.4420580996932447 Energy: 0.3664557566345554 Energy: 0.366455756634884 Energy: 0.3584258917100303 Energy: 0.37028258814562565 Energy: 0.37028258814562565 minimum gb energy = 0.351774927304292 eV minimum distance = 2.4776786928423 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.3773430892812413 Energy: 0.39027134186321677 Energy: 0.39027134186363416 Energy: 0.33347723942423835 Energy: 0.36000011548064764 Energy: 0.36000011548816113 Energy: 0.33926556361865096 Energy: 0.35981175304326707 Energy: 0.3598117530428496 Energy: 0.3321717634294979 Energy: 0.35558374507201385 Energy: 0.35558374507243123 Energy: 0.36752434141849993 Energy: 0.38077722390783825 Energy: 0.38077722390783825 Energy: 0.4221192759486202 Energy: 0.3775430978407722 Energy: 0.3775430978407722 Energy: 0.476416851197767 Energy: 0.3300119234877964 Energy: 0.33001192348737896 Energy: 0.4151513535427532 Energy: 0.33011207633186623 Energy: 0.33011207633144884 Energy: 0.416629567744856 Energy: 0.3598535447921462 Energy: 0.3598535447917288 Energy: 0.3946990680786397 Energy: 0.3642124936934486 Energy: 0.36421249369386605 minimum gb energy = 0.33001192348737896 eV minimum distance = 2.53647328650029 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.3463811695672329 Energy: 0.40513192231114603 Energy: 0.4051319223128615 Energy: 0.45729027712893805 Energy: 0.3453886762843648 Energy: 0.34538867628379305 Energy: 0.3966829296193054 Energy: 0.37901160909350423 Energy: 0.3790116090929324 Energy: 0.3453978604162599 Energy: 0.3749833216760364 Energy: 0.3749833216811828 Energy: 0.39652100244645927 Energy: 0.40348654516046306 Energy: 0.40348654515989124 Energy: 0.3453976087307186 Energy: 0.3662423921732847 Energy: 0.36624239217271287 Energy: 0.46419424437569273 Energy: 0.4141854377188625 Energy: 0.41418543772286526 Energy: 0.3492296603029205 Energy: 0.37216892048227146 Energy: 0.37216892048627426 Energy: 0.40633434274946867 Energy: 0.36274027103315837 Energy: 0.36274027103201467 Energy: 0.3492973049581474 Energy: 0.36274136899187004 Energy: 0.3627413689924419 minimum gb energy = 0.34538867628379305 eV minimum distance = 2.52356508664907 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.3847531069273856 Energy: 0.388875574024155 Energy: 0.38887557402696116 Energy: 0.3694210945234084 Energy: 0.3711322925257771 Energy: 0.3711322925327926 Energy: 0.3700202877952695 Energy: 0.36437044769181715 Energy: 0.3643704476893617 Energy: 0.34387835468437994 Energy: 0.37079090070959514 Energy: 0.370790900725348 Energy: 0.38950023520514293 Energy: 0.368910072389029 Energy: 0.3689100723827151 Energy: 0.35349376118863485 Energy: 0.3436924545117386 Energy: 0.3436924545166493 Energy: 0.34288673680910814 Energy: 0.37078373807786386 Energy: 0.37078373807154996 Energy: 0.3627212457263315 Energy: 0.3699179269846947 Energy: 0.3699179269829409 Energy: 0.3686874025746919 Energy: 0.34369014945080545 Energy: 0.3436901494543132 Energy: 0.3429001406850968 Energy: 0.3794632768265246 Energy: 0.3794632768293308 minimum gb energy = 0.34288673680910814 eV minimum distance = 2.51532634522486 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.37137074820219923 Energy: 0.3882971855364593 Energy: 0.3882971855364593 Energy: 0.34752381057222476 Energy: 0.35175791276455315 Energy: 0.35175791276455315 Energy: 0.3576003199109512 Energy: 0.3816100790695309 Energy: 0.3816100790695309 Energy: 0.3475179622049296 Energy: 0.34745850067640677 Energy: 0.34745850067005596 Energy: 0.45275408922458565 Energy: 0.34128415313640464 Energy: 0.34128415313640464 Energy: 0.40003068510138096 Energy: 0.38333304701934245 Energy: 0.38333304701845583 Energy: 0.38594444218813506 Energy: 0.3439151814246344 Energy: 0.3439151814237272 Energy: 0.37797429512766206 Energy: 0.3412686365248434 Energy: 0.3412686365248434 Energy: 0.37899326252619414 Energy: 0.37702997420353906 Energy: 0.37702997420353906 Energy: 0.3482950432373777 Energy: 0.37122796902412053 Energy: 0.37122796902502775 minimum gb energy = 0.3412686365248434 eV minimum distance = 2.52282524775985 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.3588866941588595 Energy: 0.3667726617092149 Energy: 0.366772661711094 Energy: 0.3492088161761096 Energy: 0.3945170032285407 Energy: 0.39451700322778904 Energy: 0.424674116244043 Energy: 0.3514759407437669 Energy: 0.3514759407448944 Energy: 0.3657540278093146 Energy: 0.3789195494138706 Energy: 0.37891954941499806 Energy: 0.3562571861847669 Energy: 0.37096533227439743 Energy: 0.3709653322740217 Energy: 0.35147037701064665 Energy: 0.3944372090290887 Energy: 0.39443720902796126 Energy: 0.36875342051055626 Energy: 0.3555254889723801 Energy: 0.3555254889720043 Energy: 0.4663753283026569 Energy: 0.35058583111244257 Energy: 0.35058583111281844 Energy: 0.36874170463831474 Energy: 0.39064765373609517 Energy: 0.3906476537353435 Energy: 0.3514734793997278 Energy: 0.37646956566779594 Energy: 0.3764695656685476 minimum gb energy = 0.3492088161761096 eV minimum distance = 2.52305040614294 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.3608898636926158 Energy: 0.3770601507576194 Energy: 0.3770601507544118 Energy: 0.37777391345760447 Energy: 0.3608406452596852 Energy: 0.36084064526289283 Energy: 0.39625727894466456 Energy: 0.3649382195289086 Energy: 0.3649382195276256 Energy: 0.3568346092178949 Energy: 0.3688989974808476 Energy: 0.36889899747382005 Energy: 0.3729685750697261 Energy: 0.3649531447890261 Energy: 0.3649531448082717 Energy: 0.40813414492528194 Energy: 0.3534940173546315 Energy: 0.35349401735655606 Energy: 0.3519056631575231 Energy: 0.37701483908664946 Energy: 0.37701483908472494 Energy: 0.35189330045319306 Energy: 0.36079870780807294 Energy: 0.36079870780999745 Energy: 0.44779668707743997 Energy: 0.3748607640423614 Energy: 0.3748607640462105 Energy: 0.35683731291825793 Energy: 0.3772647687410482 Energy: 0.37726476873655757 minimum gb energy = 0.35189330045319306 eV minimum distance = 2.51965444903079 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.3720352315525643 Energy: 0.3805805704625512 Energy: 0.3805805704625512 Energy: 0.36808880511956793 Energy: 0.3892065877029832 Energy: 0.38920658770199107 Energy: 0.4165957422030987 Energy: 0.3607285835997643 Energy: 0.3607285836022446 Energy: 0.3622225148046982 Energy: 0.39080854690827566 Energy: 0.39080854691918915 Energy: 0.3679974551988464 Energy: 0.37508627744745837 Energy: 0.37508627744348977 Energy: 0.4066992587475768 Energy: 0.36222176188716976 Energy: 0.36222176188816185 Energy: 0.3774817307203493 Energy: 0.3697767471734801 Energy: 0.36977674716008635 Energy: 0.3675881945484561 Energy: 0.3811180880360519 Energy: 0.3811180880370441 Energy: 0.3901980110633458 Energy: 0.3662243489186461 Energy: 0.3662243489191422 Energy: 0.4122395537457702 Energy: 0.3975605349361061 Energy: 0.3975605349375943 minimum gb energy = 0.3607285835997643 eV minimum distance = 2.47281748700576 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.36090276653749065 Energy: 0.3774352330831223 Energy: 0.377435233085144 Energy: 0.3648615475123917 Energy: 0.38803320585395307 Energy: 0.3880332058535487 Energy: 0.376014042105256 Energy: 0.36352325480501313 Energy: 0.3635232548033957 Energy: 0.36826903851352494 Energy: 0.3588945141883856 Energy: 0.3588945142065442 Energy: 0.43294616666403324 Energy: 0.35884546883956997 Energy: 0.35884546883552654 Energy: 0.3886507710221945 Energy: 0.36641470389643105 Energy: 0.366414703894005 Energy: 0.3659475513725971 Energy: 0.36600517282498607 Energy: 0.366005172820575 Energy: 0.3655909037956245 Energy: 0.36830757039780426 Energy: 0.36830757040181095 Energy: 0.3609677870803506 Energy: 0.38033154316974255 Energy: 0.38033154317216855 Energy: 0.3536889499286297 Energy: 0.3840649406117723 Energy: 0.38406494061055935 minimum gb energy = 0.3536889499286297 eV minimum distance = 2.52727372367834 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.3635139128279564 Energy: 0.37960601131703814 Energy: 0.37960601134908284 Energy: 0.4221154222188616 Energy: 0.3670921670487927 Energy: 0.36709216704776904 Energy: 0.3584147661060468 Energy: 0.3808877620199904 Energy: 0.3808877620271252 Energy: 0.4422118950522929 Energy: 0.3626036645574714 Energy: 0.3626036645571301 Energy: 0.371410231205393 Energy: 0.3896309242360982 Energy: 0.3896309242350745 Energy: 0.3789793023067337 Energy: 0.35830952085161494 Energy: 0.3583095208519562 Energy: 0.36232470642236436 Energy: 0.3734713891474849 Energy: 0.37347138914680245 Energy: 0.3762056269612653 Energy: 0.35994235116273 Energy: 0.35994235116204754 Energy: 0.3713657205721929 Energy: 0.37201593948722855 Energy: 0.3720159394875698 Energy: 0.38901815654732663 Energy: 0.35831002613798424 Energy: 0.35831002613832547 minimum gb energy = 0.35830952085161494 eV minimum distance = 2.51378900937192 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.36619098321285587 Energy: 0.3814016125193668 Energy: 0.3814016125149394 Energy: 0.36370964311394405 Energy: 0.38142684897557905 Energy: 0.3814268489723323 Energy: 0.36457099807380594 Energy: 0.3869238050657479 Energy: 0.386923805066043 Energy: 0.3689418596361629 Energy: 0.3625987112112653 Energy: 0.3625987112168732 Energy: 0.3718515940718245 Energy: 0.3621076658421406 Energy: 0.36210766584627274 Energy: 0.3756820793700206 Energy: 0.36267934150143627 Energy: 0.36267934150202663 Energy: 0.4030141810559259 Energy: 0.36268016678334714 Energy: 0.3626801667824617 Energy: 0.41183281687104706 Energy: 0.3635848086756664 Energy: 0.3635848086792083 Energy: 0.38217625116772963 Energy: 0.3635954293503927 Energy: 0.36359542935009753 Energy: 0.39350094930044455 Energy: 0.3620315378717865 Energy: 0.3620315378797557 minimum gb energy = 0.3620315378717865 eV minimum distance = 2.5225693779594 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.3524332325799225 Energy: 0.3845205252820731 Energy: 0.38452813926163604 Energy: 0.34910461141699795 Energy: 0.35823902599603485 Energy: 0.3582390259984185 Energy: 0.37973227074436633 Energy: 0.35263498510049424 Energy: 0.3526350345329954 Energy: 0.35239081729748584 Energy: 0.3416539352942269 Energy: 0.3416539352878955 Energy: 0.35828312500615894 Energy: 0.3582971232692333 Energy: 0.35829712326965546 Energy: 0.33627483458822816 Energy: 0.35831082002112635 Energy: 0.3583108202061018 Energy: 0.34912561725932395 Energy: 0.33624803869010456 Energy: 0.33626062104014004 Energy: 0.33622919038645843 Energy: 0.3630602063278312 Energy: 0.36306067318134055 Energy: 0.33624610377874475 Energy: 0.35238482380930175 Energy: 0.35238449729903126 Energy: 0.3416491672431166 Energy: 0.3362883627421269 Energy: 0.33628836275218266 minimum gb energy = 0.33622919038645843 eV minimum distance = 2.56236427725537 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.3569233200758415 Energy: 0.3781290527356773 Energy: 0.37812905273682684 Energy: 0.3508293287588372 Energy: 0.37399411992649495 Energy: 0.37399411992649495 Energy: 0.34725611281384283 Energy: 0.3491153758820342 Energy: 0.3491153758817468 Energy: 0.35116633799783403 Energy: 0.3497691818893503 Energy: 0.3497691818882007 Energy: 0.3668975012312477 Energy: 0.3490123378112952 Energy: 0.34901233781072044 Energy: 0.3800667090786563 Energy: 0.34850019131709153 Energy: 0.34850019131393023 Energy: 0.3565460234695536 Energy: 0.35796776817151155 Energy: 0.35796776817179893 Energy: 0.35076365172590873 Energy: 0.3533204596629304 Energy: 0.35332045966235565 Energy: 0.3525790917345394 Energy: 0.35378277339703146 Energy: 0.35378277339645664 Energy: 0.3478518396822249 Energy: 0.35220670548766947 Energy: 0.35220670548766947 minimum gb energy = 0.34725611281384283 eV minimum distance = 2.55921234127286 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.35233348661155334 Energy: 0.3763933285923278 Energy: 0.3763933285939822 Energy: 0.3486817203645955 Energy: 0.34569293752854247 Energy: 0.34569293752788066 Energy: 0.3820991711136191 Energy: 0.3445255446367147 Energy: 0.34452554463539115 Energy: 0.3521395704302913 Energy: 0.3533884925908113 Energy: 0.3533884925855169 Energy: 0.3500848536856831 Energy: 0.3614897546000541 Energy: 0.3614897546017087 Energy: 0.3714285296887137 Energy: 0.3607481587585698 Energy: 0.3607481587393776 Energy: 0.3420377997968581 Energy: 0.3494217380405655 Energy: 0.3494217380405655 Energy: 0.3429762342727938 Energy: 0.3484397194435249 Energy: 0.34843971943723784 Energy: 0.36300604222267746 Energy: 0.34941892356768267 Energy: 0.34941892357330795 Energy: 0.36357127162656216 Energy: 0.3463079455319134 Energy: 0.34630794553555333 minimum gb energy = 0.3420377997968581 eV minimum distance = 2.53476906366625 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.3466337564167139 Energy: 0.37457098223822344 Energy: 0.37457098223744356 Energy: 0.35012548714925945 Energy: 0.34201192760215837 Energy: 0.34201192760137855 Energy: 0.35946730720286374 Energy: 0.3404789650124894 Energy: 0.3404789650124894 Energy: 0.34347726336365353 Energy: 0.3741050595108235 Energy: 0.37410505951238315 Energy: 0.34442384028646483 Energy: 0.3425845768761145 Energy: 0.3425845768780641 Energy: 0.39450329514230453 Energy: 0.3424865554996231 Energy: 0.342486555500013 Energy: 0.3373788258791834 Energy: 0.3432392118293626 Energy: 0.3432392118293626 Energy: 0.3429512214043465 Energy: 0.3569591324319144 Energy: 0.3569591324319144 Energy: 0.3839903855884978 Energy: 0.3425577060240244 Energy: 0.3425577060240244 Energy: 0.33645117877050834 Energy: 0.3504452173902605 Energy: 0.3504452173902605 minimum gb energy = 0.33645117877050834 eV minimum distance = 2.52731632650075 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.3389028130814332 Energy: 0.372514594185178 Energy: 0.3725145941856526 Energy: 0.3408847626648411 Energy: 0.3331192856084702 Energy: 0.3331192856094193 Energy: 0.3303718061883179 Energy: 0.3330324231982575 Energy: 0.3330324232067992 Energy: 0.3409013885732433 Energy: 0.343474107791445 Energy: 0.34347410778622506 Energy: 0.39264012699446565 Energy: 0.3340787251311723 Energy: 0.3340787251311723 Energy: 0.3812558194967286 Energy: 0.33180233375477025 Energy: 0.3318023337552448 Energy: 0.3636855864629492 Energy: 0.3303133600728582 Energy: 0.33031336007428186 Energy: 0.33272311240050045 Energy: 0.3331660847104549 Energy: 0.3331660847137766 Energy: 0.3420200887169794 Energy: 0.33303787713560995 Energy: 0.3330378771654844 Energy: 0.3328137370228883 Energy: 0.34160194967287366 Energy: 0.3416019496780936 minimum gb energy = 0.3303133600728582 eV minimum distance = 2.51526076464702 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.3364717170929145 Energy: 0.35289535883448647 Energy: 0.3528953588332745 Energy: 0.35886148204191176 Energy: 0.3315695582185252 Energy: 0.3315695582179192 Energy: 0.3363156410478396 Energy: 0.35290698953850946 Energy: 0.3529069895391155 Energy: 0.39507967645916564 Energy: 0.33506244225944026 Energy: 0.33506244225883425 Energy: 0.3311602247117696 Energy: 0.33442207750751546 Energy: 0.3344220775081215 Energy: 0.43836458234236886 Energy: 0.3422971532903681 Energy: 0.34229715328915605 Energy: 0.33664491231468296 Energy: 0.3343427117031997 Energy: 0.33434271170259366 Energy: 0.4143555270626004 Energy: 0.3513005835641747 Energy: 0.3513005835641747 Energy: 0.3366388821760886 Energy: 0.3451537676296839 Energy: 0.34515376762423 Energy: 0.3738528010096131 Energy: 0.33333954823123374 Energy: 0.33333954823123374 minimum gb energy = 0.3311602247117696 eV minimum distance = 2.54045760597174 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.3470106563065475 Energy: 0.34568673305394065 Energy: 0.34568673305394065 Energy: 0.3424856153080042 Energy: 0.33911754071063566 Energy: 0.339117540710284 Energy: 0.32754249746024433 Energy: 0.33156897652740064 Energy: 0.33156897652740064 Energy: 0.33249129742673006 Energy: 0.3283842518127031 Energy: 0.32838425181235137 Energy: 0.3754255694577719 Energy: 0.32410593419090084 Energy: 0.32410593419125255 Energy: 0.3226812799302528 Energy: 0.36023950219896955 Energy: 0.3602395022070582 Energy: 0.3780434364717765 Energy: 0.3328587399749956 Energy: 0.33285873997675397 Energy: 0.3275461262551595 Energy: 0.3456407837083748 Energy: 0.34564078370872653 Energy: 0.32828100134063 Energy: 0.33255920537730216 Energy: 0.33255920537659883 Energy: 0.33968216436337234 Energy: 0.34115381058065547 Energy: 0.3411538105788971 minimum gb energy = 0.3226812799302528 eV minimum distance = 2.5132657638547 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.33083510071442457 Energy: 0.315674044943211 Energy: 0.3156740449406974 Energy: 0.3119068039639597 Energy: 0.3406107347246392 Energy: 0.3406107347212876 Energy: 0.3144027566688964 Energy: 0.3466654678737438 Energy: 0.34666546787625746 Energy: 0.3119072083023647 Energy: 0.30634707461887534 Energy: 0.3063470746172186 Energy: 0.3308669723279058 Energy: 0.326348070038226 Energy: 0.3263480700365503 Energy: 0.33518900649952804 Energy: 0.30865955707752296 Energy: 0.3086595570791988 Energy: 0.3204442107285492 Energy: 0.3063892338274987 Energy: 0.3063892338283366 Energy: 0.3308639142233198 Energy: 0.30866382388164915 Energy: 0.3086638238791355 Energy: 0.31191248072017924 Energy: 0.3383488936937763 Energy: 0.33834889369461424 Energy: 0.3144410800573754 Energy: 0.3443095507108737 Energy: 0.3443095507108737 minimum gb energy = 0.3063470746172186 eV minimum distance = 2.53640679261672 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.3361378740657102 Energy: 0.33626794360364554 Energy: 0.3362679435847904 Energy: 0.3175752398619094 Energy: 0.3457737815766714 Energy: 0.34577378157699146 Energy: 0.3196138222832633 Energy: 0.32804227384449886 Energy: 0.32804227384353873 Energy: 0.36557111264956155 Energy: 0.3206451374110168 Energy: 0.32064513741165696 Energy: 0.35085039432777204 Energy: 0.3181018622720969 Energy: 0.3181018622720969 Energy: 0.33675546081699537 Energy: 0.33387607818807724 Energy: 0.33387607818711695 Energy: 0.333894147209883 Energy: 0.3216986363317889 Energy: 0.3216986363314688 Energy: 0.3140179403791852 Energy: 0.3331906874897812 Energy: 0.3331906874869297 Energy: 0.3159991293333593 Energy: 0.3200292495934918 Energy: 0.32002924959317175 Energy: 0.31443524087130414 Energy: 0.3234191848195238 Energy: 0.3234191848195238 minimum gb energy = 0.3140179403791852 eV minimum distance = 2.52466820706118 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.3339326496523401 Energy: 0.3258129486170391 Energy: 0.32581294855286885 Energy: 0.3202793010132029 Energy: 0.33399609907460215 Energy: 0.33399609907512 Energy: 0.3283987819738395 Energy: 0.3248359154684406 Energy: 0.3248359154710299 Energy: 0.33941164885767067 Energy: 0.3166825253116952 Energy: 0.3166825253101416 Energy: 0.31840860231904783 Energy: 0.33269744454973005 Energy: 0.3326974445512837 Energy: 0.31846398191470426 Energy: 0.33701190738639963 Energy: 0.337011907384846 Energy: 0.3184084969919887 Energy: 0.3326548661096496 Energy: 0.33265486610861383 Energy: 0.37724941924053557 Energy: 0.324836956425553 Energy: 0.324836956425553 Energy: 0.3202818495498675 Energy: 0.3248614384727335 Energy: 0.3248614384737693 Energy: 0.3202808383771531 Energy: 0.33476955268678144 Energy: 0.33476955268626346 minimum gb energy = 0.3166825253101416 eV minimum distance = 2.55111582363163 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.34912231503273494 Energy: 0.32791028879087253 Energy: 0.3279102887879089 Energy: 0.34482376421972527 Energy: 0.3181543163316012 Energy: 0.3181543163357231 Energy: 0.3123717551339592 Energy: 0.32570570107008995 Energy: 0.32570570106746694 Energy: 0.36036707264430895 Energy: 0.31084478965556656 Energy: 0.31084478965556656 Energy: 0.3080412480372239 Energy: 0.338043272005531 Energy: 0.33804327200403217 Energy: 0.3910257494257312 Energy: 0.30773686589089894 Energy: 0.3077368658886506 Energy: 0.3078761028145857 Energy: 0.30710939368401474 Energy: 0.30710939368251583 Energy: 0.36381262819364785 Energy: 0.3134148684777754 Energy: 0.3134148684897662 Energy: 0.3078896109887318 Energy: 0.3071136535310125 Energy: 0.30711365353063774 Energy: 0.38189941222030666 Energy: 0.31010471647194027 Energy: 0.31010471647156557 minimum gb energy = 0.30710939368251583 eV minimum distance = 2.55087719858839 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.3451575133214414 Energy: 0.32223449280919947 Energy: 0.32223449280685107 Energy: 0.31721116313527176 Energy: 0.31294529993987913 Energy: 0.31294529994075976 Energy: 0.31691146187739205 Energy: 0.3129471395893662 Energy: 0.3129471395899533 Energy: 0.3406752781643177 Energy: 0.3212993481219865 Energy: 0.3212993481248953 Energy: 0.31340312628108385 Energy: 0.31082746321648025 Energy: 0.3108274632200029 Energy: 0.31377303480655855 Energy: 0.3114945694283599 Energy: 0.3114945694221952 Energy: 0.31415330591407026 Energy: 0.3374793845256393 Energy: 0.33747938452916193 Energy: 0.31004405156902953 Energy: 0.3223201345022272 Energy: 0.32232013449635616 Energy: 0.32380843477508947 Energy: 0.32072916282768826 Energy: 0.3207291628288625 Energy: 0.35140253679424355 Energy: 0.31143589544393885 Energy: 0.3114358954486357 minimum gb energy = 0.31004405156902953 eV minimum distance = 2.54314009190797 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.2872993274799756 Energy: 0.28736865911439313 Energy: 0.28736865911439313 Energy: 0.2873536892952082 Energy: 0.287364448916832 Energy: 0.287364448916832 Energy: 0.2966575481731787 Energy: 0.29212704269093953 Energy: 0.29212704269093953 Energy: 0.29415850300761665 Energy: 0.29218592115732933 Energy: 0.29218592116274955 Energy: 0.2941627467154689 Energy: 0.29215706298235145 Energy: 0.2921570629837065 Energy: 0.45295406004894756 Energy: 0.2941593992901426 Energy: 0.2941593993009829 Energy: 0.29415807205899386 Energy: 0.28737561200947814 Energy: 0.2873756120108332 Energy: 0.2873773767393827 Energy: 0.3297039331665027 Energy: 0.3297039331665027 Energy: 0.2941711832663912 Energy: 0.29214862056938173 Energy: 0.2921486205707368 Energy: 0.28739270583412335 Energy: 0.2921729834459998 Energy: 0.2921729834473548 minimum gb energy = 0.2872993274799756 eV minimum distance = 2.57685916261961 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.3746690038515054 Energy: 0.3041749363259565 Energy: 0.3041749363324174 Energy: 0.29667148669497245 Energy: 0.2959964814835795 Energy: 0.29599648148079855 Energy: 0.2982518758080137 Energy: 0.34278923373320436 Energy: 0.34278923372702447 Energy: 0.293278088499831 Energy: 0.29387511907988006 Energy: 0.29387511908451497 Energy: 0.29272024674027824 Energy: 0.2948440883145517 Energy: 0.29484408831764164 Energy: 0.29232279878516393 Energy: 0.293896580412099 Energy: 0.29389658041735195 Energy: 0.2999310289714793 Energy: 0.2938723358567854 Energy: 0.29387233585307737 Energy: 0.3364784037300172 Energy: 0.29682294647833457 Energy: 0.29682294647369967 Energy: 0.34530966621686243 Energy: 0.294088007219584 Energy: 0.294088007220202 Energy: 0.33751058762597286 Energy: 0.29365076634958276 Energy: 0.2936507663529817 minimum gb energy = 0.29232279878516393 eV minimum distance = 2.5606210426559 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.2976048107902795 Energy: 0.2970234748027193 Energy: 0.2970234747971158 Energy: 0.3039565752041462 Energy: 0.2923039854593237 Energy: 0.29230398545972386 Energy: 0.28997163332404996 Energy: 0.2881480152847949 Energy: 0.28814801528399436 Energy: 0.28532286396348694 Energy: 0.31424316362813987 Energy: 0.3142431636277396 Energy: 0.3796103717886452 Energy: 0.2848790392313542 Energy: 0.2848790392317545 Energy: 0.28996889191102704 Energy: 0.2871427329787764 Energy: 0.28714273297957693 Energy: 0.2870352999861001 Energy: 0.2844094946105373 Energy: 0.28440949461133774 Energy: 0.3428325260464637 Energy: 0.28917210633454693 Energy: 0.2891721063353474 Energy: 0.28648134558273736 Energy: 0.3394462941265182 Energy: 0.339446294126118 Energy: 0.2848583399473938 Energy: 0.2923010452223995 Energy: 0.2923010452232 minimum gb energy = 0.2844094946105373 eV minimum distance = 2.55169951586891 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.2947717235913522 Energy: 0.29731040154198213 Energy: 0.2973104015385744 Energy: 0.2885585793189317 Energy: 0.2905096499487921 Energy: 0.29050964995106393 Energy: 0.28855992570784844 Energy: 0.2905192990326262 Energy: 0.29051929903433005 Energy: 0.28419282977029703 Energy: 0.2888327639826123 Energy: 0.28883276398318025 Energy: 0.3526277393589971 Energy: 0.2888609437008917 Energy: 0.2888609437020276 Energy: 0.28855943666356393 Energy: 0.2905256300548923 Energy: 0.2905256300554603 Energy: 0.286381556861027 Energy: 0.30524807677525884 Energy: 0.3052480767775306 Energy: 0.41314769514426947 Energy: 0.2888238476464029 Energy: 0.288823847645267 Energy: 0.29867400050527715 Energy: 0.2866055914743849 Energy: 0.28660559147040926 Energy: 0.2863805115751858 Energy: 0.30367057409425285 Energy: 0.30367057409425285 minimum gb energy = 0.28419282977029703 eV minimum distance = 2.59145206050308 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.369405503048052 Energy: 0.2910144869003529 Energy: 0.29101448690071213 Energy: 0.28034920672176655 Energy: 0.2817463159146716 Energy: 0.2817463159146716 Energy: 0.2756996916529271 Energy: 0.2769964192251264 Energy: 0.2769964192247672 Energy: 0.27710565398897685 Energy: 0.32816445925345583 Energy: 0.32816445925345583 Energy: 0.2833064428116901 Energy: 0.2769947989119068 Energy: 0.27699479891226597 Energy: 0.36216315988829656 Energy: 0.28082613832859477 Energy: 0.2808261383293132 Energy: 0.2796273945440789 Energy: 0.32559110968842964 Energy: 0.32559110968914795 Energy: 0.42136558870395197 Energy: 0.2796260213692172 Energy: 0.27962602136885806 Energy: 0.2785610679765553 Energy: 0.28507973485448745 Energy: 0.28507973485376914 Energy: 0.27603944610457865 Energy: 0.3004206626565541 Energy: 0.3004206626565541 minimum gb energy = 0.2756996916529271 eV minimum distance = 2.57167310416426 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.35134909233334544 Energy: 0.29037248175285896 Energy: 0.2903724817434033 Energy: 0.28602337828996033 Energy: 0.2836988211620219 Energy: 0.2836988211745817 Energy: 0.34482365442683965 Energy: 0.2843618700627422 Energy: 0.2843618700874318 Energy: 0.28271685947672076 Energy: 0.3267059035184836 Energy: 0.3267059035129917 Energy: 0.3244496745439336 Energy: 0.2806843960070153 Energy: 0.2806843959959837 Energy: 0.28058260892390674 Energy: 0.2812765303867783 Energy: 0.28127653038916606 Energy: 0.28163841816128227 Energy: 0.2812661684440563 Energy: 0.28126616843722724 Energy: 0.3553458377720509 Energy: 0.282184005238438 Energy: 0.28218400523371023 Energy: 0.2823483342487083 Energy: 0.28179498978179285 Energy: 0.28179498977496376 Energy: 0.3448195112036619 Energy: 0.2843713570836034 Energy: 0.2843713570830781 minimum gb energy = 0.28058260892390674 eV minimum distance = 2.55288279378624 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.26272511690609845 Energy: 0.2756733563946472 Energy: 0.2756733563946472 Energy: 0.26322690175501245 Energy: 0.27893317616193075 Energy: 0.2789331761756107 Energy: 0.2648918517511784 Energy: 0.26720488968859885 Energy: 0.26720488968859885 Energy: 0.2684265624099189 Energy: 0.2766779631516892 Energy: 0.2766808058739292 Energy: 0.26489391079040975 Energy: 0.2600758392307176 Energy: 0.2600758392307176 Energy: 0.2684260322643654 Energy: 0.26275347553469697 Energy: 0.2627534755356519 Energy: 0.26122236266782206 Energy: 0.2922986929292226 Energy: 0.2922986929301998 Energy: 0.2627251133811886 Energy: 0.26275334650538573 Energy: 0.26275334650538573 Energy: 0.26123283954834786 Energy: 0.26272444449691545 Energy: 0.2627244444978926 Energy: 0.26490964610480483 Energy: 0.2627528013859885 Energy: 0.2627528013859885 minimum gb energy = 0.2600758392307176 eV minimum distance = 2.57820638501936 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.33788298456585175 Energy: 0.27157236029163756 Energy: 0.27157236039494964 Energy: 0.2627031144839598 Energy: 0.2683556707250816 Energy: 0.26835567072537947 Energy: 0.2922467639189364 Energy: 0.2674708372863819 Energy: 0.2674708372854882 Energy: 0.26375615466646535 Energy: 0.26382472129710555 Energy: 0.26382472129710555 Energy: 0.2649571808108412 Energy: 0.30885487862102057 Energy: 0.30885487862161637 Energy: 0.2683516466487702 Energy: 0.2638044148531317 Energy: 0.26380441485223804 Energy: 0.2657694520806065 Energy: 0.26647050300251657 Energy: 0.2664705030016229 Energy: 0.3995727883245419 Energy: 0.2633820253726127 Energy: 0.26338202537291056 Energy: 0.26327496331333633 Energy: 0.26604240567810916 Energy: 0.26604240567810916 Energy: 0.26265454453988624 Energy: 0.2743910697034615 Energy: 0.27439106970405724 minimum gb energy = 0.26265454453988624 eV minimum distance = 2.57682357185535 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.3544847803506773 Energy: 0.2622184429556285 Energy: 0.2622184429556285 Energy: 0.2510961842771318 Energy: 0.2596556613763968 Energy: 0.2596556613755398 Energy: 0.26761963188575816 Energy: 0.2530389805897116 Energy: 0.25303898058756913 Energy: 0.25486079781882715 Energy: 0.25592305045486435 Energy: 0.25592305045529284 Energy: 0.25486726535242665 Energy: 0.26714508440084234 Energy: 0.26714508444110213 Energy: 0.2516450299387576 Energy: 0.25965312194756013 Energy: 0.2596531219488456 Energy: 0.31427783384870306 Energy: 0.2537094289067122 Energy: 0.25370942890714065 Energy: 0.3526336296200419 Energy: 0.25580089491100827 Energy: 0.25580089494357444 Energy: 0.2516691528644603 Energy: 0.2628731536627152 Energy: 0.26287315366485775 Energy: 0.25167317754253954 Energy: 0.2596545425091601 Energy: 0.2596545425091601 minimum gb energy = 0.2510961842771318 eV minimum distance = 2.57180332363558 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.386952194835889 Energy: 0.26546997797767896 Energy: 0.26546997797383726 Energy: 0.265073306368876 Energy: 0.25912217384321923 Energy: 0.25912217384431685 Energy: 0.25892193432936916 Energy: 0.2663921363065899 Energy: 0.26639213630823644 Energy: 0.29826366361664186 Energy: 0.2564956962754671 Energy: 0.25649569627571656 Energy: 0.25827211548198714 Energy: 0.26527782727145666 Energy: 0.2652778272725542 Energy: 0.3376341583077788 Energy: 0.2569293722742609 Energy: 0.2569293722740113 Energy: 0.2577772473850639 Energy: 0.3023905282911949 Energy: 0.30239052828954843 Energy: 0.41179020461989563 Energy: 0.25692967237446307 Energy: 0.25692967237581016 Energy: 0.2577786794234389 Energy: 0.25896199093656963 Energy: 0.2589619909357713 Energy: 0.31570389139891314 Energy: 0.25667832498941245 Energy: 0.25667832498831483 minimum gb energy = 0.2564956962754671 eV minimum distance = 2.57136553685396 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.25035475763541076 Energy: 0.2489957809230472 Energy: 0.24899578092381014 Energy: 0.24197135581853352 Energy: 0.2453144990140194 Energy: 0.24531449901249336 Energy: 0.3281012412907404 Energy: 0.24360766682219304 Energy: 0.24360766683287524 Energy: 0.2436007895925611 Energy: 0.2503552646515592 Energy: 0.2503552646515592 Energy: 0.2436477143719743 Energy: 0.24900396594217653 Energy: 0.24900396594141347 Energy: 0.24414697928506443 Energy: 0.24202285739893895 Energy: 0.24202285739893895 Energy: 0.24362974388298564 Energy: 0.2436014162871901 Energy: 0.2436014162772709 Energy: 0.2503596719506767 Energy: 0.2503663750588944 Energy: 0.2503663750588944 Energy: 0.2419318583395487 Energy: 0.24193884793516218 Energy: 0.24193884793516218 Energy: 0.246020466765394 Energy: 0.2419809495140573 Energy: 0.2419809495132943 minimum gb energy = 0.2419318583395487 eV minimum distance = 2.58041524225523 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.32001491687281947 Energy: 0.24593575835795312 Energy: 0.24593575835451556 Energy: 0.2355150557079147 Energy: 0.24050733333325178 Energy: 0.24050733333875188 Energy: 0.2413960183443317 Energy: 0.2405063964078753 Energy: 0.24050639641234414 Energy: 0.32304047163197647 Energy: 0.23896574742712032 Energy: 0.23896574742677654 Energy: 0.31287337353060907 Energy: 0.2389824306867673 Energy: 0.23898243068367353 Energy: 0.23814954117922332 Energy: 0.23895688539058763 Energy: 0.2389568853806187 Energy: 0.23859261015607985 Energy: 0.24042843828249627 Energy: 0.2404284382783712 Energy: 0.3795804270819364 Energy: 0.2404118732961219 Energy: 0.24041187329405939 Energy: 0.2656506425219666 Energy: 0.23529132883543522 Energy: 0.23529132882512258 Energy: 0.2413927698173975 Energy: 0.2377915039799281 Energy: 0.2377915039916158 minimum gb energy = 0.23529132882512258 eV minimum distance = 2.57888300706665 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.36865956629683 Energy: 0.23640673423230865 Energy: 0.23640673424356853 Energy: 0.2589258347122326 Energy: 0.22849828419467053 Energy: 0.22849828419467053 Energy: 0.22814979953454376 Energy: 0.23082784342365784 Energy: 0.23082784342613163 Energy: 0.22797955564398806 Energy: 0.2308006156962382 Energy: 0.23080061569686372 Energy: 0.228160745075141 Energy: 0.2308274470737536 Energy: 0.2308274470737536 Energy: 0.22728574702549098 Energy: 0.2308068352374378 Energy: 0.23080683523681228 Energy: 0.22729158912996567 Energy: 0.23076336182399024 Energy: 0.23076336182399024 Energy: 0.3583585577231143 Energy: 0.23081245377411616 Energy: 0.23081245377474174 Energy: 0.3569341896476126 Energy: 0.23080993491709997 Energy: 0.23080993491709997 Energy: 0.22815086216461747 Energy: 0.24091273432743163 Energy: 0.2409127343268061 minimum gb energy = 0.22728574702549098 eV minimum distance = 2.58612984395563 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.3732369276058464 Energy: 0.23275464351329322 Energy: 0.2327546435173098 Energy: 0.2991677443496255 Energy: 0.22757314878505178 Energy: 0.22757314877613186 Energy: 0.22374669324252983 Energy: 0.22757948625063412 Energy: 0.2275794862526685 Energy: 0.24065361393103085 Energy: 0.22756973695927893 Energy: 0.2275697369618349 Energy: 0.3655851391994419 Energy: 0.22328536411811434 Energy: 0.22328536411639296 Energy: 0.22317887110548057 Energy: 0.2258014335333423 Energy: 0.22580143353793267 Energy: 0.22248835804266545 Energy: 0.22758843420405725 Energy: 0.2275884342011883 Energy: 0.4145261897071695 Energy: 0.22712918948856323 Energy: 0.22712918948684185 Energy: 0.22313279207448342 Energy: 0.22757116807591785 Energy: 0.2275711680790998 Energy: 0.22653801927509332 Energy: 0.2284312468137371 Energy: 0.22843124681258953 minimum gb energy = 0.22248835804266545 eV minimum distance = 2.58323702186785 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.3364584812805099 Energy: 0.2230231533465305 Energy: 0.2230231533465305 Energy: 0.21739565123900798 Energy: 0.22255095174129444 Energy: 0.2225509517402346 Energy: 0.21588955662913173 Energy: 0.21744891374697736 Energy: 0.2174489137459175 Energy: 0.22313172364396952 Energy: 0.21794651509387808 Energy: 0.21794651509281826 Energy: 0.2164394512230931 Energy: 0.21743168616736064 Energy: 0.2174316861663008 Energy: 0.2164395920755211 Energy: 0.22260042949570782 Energy: 0.22260042949782752 Energy: 0.21739799271187726 Energy: 0.21969576285739864 Energy: 0.21969576285792855 Energy: 0.3313876692703721 Energy: 0.22254706536058969 Energy: 0.2225470653733079 Energy: 0.28190931016481824 Energy: 0.21969512140623146 Energy: 0.21969512140411177 Energy: 0.23635327021014751 Energy: 0.2159026550449634 Energy: 0.21590265504602324 minimum gb energy = 0.21588955662913173 eV minimum distance = 2.58006882270934 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.3983514433943254 Energy: 0.22158138813368675 Energy: 0.22158138795655746 Energy: 0.21206300970398667 Energy: 0.238396991291509 Energy: 0.23839699129397038 Energy: 0.21211380977128813 Energy: 0.21601937129958096 Energy: 0.21601937128731882 Energy: 0.28082066030350844 Energy: 0.21983401189670884 Energy: 0.21983401189670884 Energy: 0.2816376365705469 Energy: 0.21652424879396873 Energy: 0.21652424880381418 Energy: 0.2126438423725886 Energy: 0.21652439239063262 Energy: 0.2165243923857099 Energy: 0.22523585364704923 Energy: 0.21653750176183126 Energy: 0.21653750176183126 Energy: 0.4289739640899104 Energy: 0.2154045944532668 Energy: 0.21540459445572815 Energy: 0.2453459804230963 Energy: 0.24182019304000493 Energy: 0.24182019302769808 Energy: 0.2141788220464003 Energy: 0.21736910396384015 Energy: 0.2173691039687629 minimum gb energy = 0.21206300970398667 eV minimum distance = 2.59430732355695 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.33238552136302196 Energy: 0.20986796988213835 Energy: 0.20986796988397677 Energy: 0.22588150333868606 Energy: 0.1997302659205718 Energy: 0.19973026592286983 Energy: 0.21976793878122683 Energy: 0.20861080323592907 Energy: 0.20861080323684827 Energy: 0.19481810367242047 Energy: 0.2021057962772313 Energy: 0.20210579628594288 Energy: 0.24424194467888402 Energy: 0.20323078885699616 Energy: 0.20323078885607695 Energy: 0.2192460365000195 Energy: 0.19973949163079152 Energy: 0.1997394916289531 Energy: 0.31450220302275195 Energy: 0.2041104346184308 Energy: 0.20411043462026926 Energy: 0.3269165403636459 Energy: 0.1997334210936366 Energy: 0.19973342109133857 Energy: 0.22573054275362 Energy: 0.1947610555818299 Energy: 0.19476105557953186 Energy: 0.19649212933883967 Energy: 0.19973382396887843 Energy: 0.19973382396887843 minimum gb energy = 0.19476105557953186 eV minimum distance = 2.59198690649988 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.32878448446992964 Energy: 0.19718087399451556 Energy: 0.19718087399370407 Energy: 0.35467632151652495 Energy: 0.18856176026115293 Energy: 0.18856176026155866 Energy: 0.18587565015064952 Energy: 0.19453348900946438 Energy: 0.19453348901068157 Energy: 0.18585381770524312 Energy: 0.19452398106611365 Energy: 0.19452398107301117 Energy: 0.18531803628610594 Energy: 0.1945022947182211 Energy: 0.1945022947145695 Energy: 0.18771200643057884 Energy: 0.18847239565777285 Energy: 0.1884723956626417 Energy: 0.32185634036500815 Energy: 0.19141684571156165 Energy: 0.1914168457119674 Energy: 0.35996415549757393 Energy: 0.194509141860648 Energy: 0.1945091418582136 Energy: 0.2727976844539346 Energy: 0.19450293032163973 Energy: 0.19450293035083419 Energy: 0.23924689262777996 Energy: 0.18855550333135884 Energy: 0.18855550333095308 minimum gb energy = 0.18531803628610594 eV minimum distance = 2.60093130780279 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.3710265988915512 Energy: 0.1917525807245547 Energy: 0.19175258073072823 Energy: 0.2976539395214255 Energy: 0.1839290009636265 Energy: 0.18392900096035816 Energy: 0.19771846428850814 Energy: 0.18394026026753396 Energy: 0.18394026027043914 Energy: 0.18001344215747128 Energy: 0.18392748629708172 Energy: 0.1839274862949028 Energy: 0.1775193491354011 Energy: 0.19009866495790986 Energy: 0.19009866496735175 Energy: 0.24584215442183216 Energy: 0.2229913012933546 Energy: 0.22299130129734926 Energy: 0.20419799498352037 Energy: 0.1839269587023005 Energy: 0.1839269587055688 Energy: 0.35837391608811126 Energy: 0.18682426495272791 Energy: 0.18682426487686257 Energy: 0.3843871787382774 Energy: 0.17960819901069588 Energy: 0.17960819900597494 Energy: 0.18096854156820494 Energy: 0.19027639261737242 Energy: 0.19027639262064075 minimum gb energy = 0.1775193491354011 eV minimum distance = 2.6118853334525 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.3277258634114792 Energy: 0.18285693851174428 Energy: 0.1828569385084578 Energy: 0.24422488068401813 Energy: 0.18313940782018456 Energy: 0.18313940782248508 Energy: 0.17263131773844625 Energy: 0.18654212512784224 Energy: 0.18654212511075266 Energy: 0.17263137115727187 Energy: 0.1776729435252728 Energy: 0.17767294352593008 Energy: 0.1726052234305691 Energy: 0.1801503684258075 Energy: 0.18015036842613616 Energy: 0.17262892645602143 Energy: 0.18314642733719835 Energy: 0.18314642733785566 Energy: 0.24368237462198383 Energy: 0.18014910401198014 Energy: 0.18014910401296605 Energy: 0.3507718756862417 Energy: 0.18015289164695947 Energy: 0.18015289164728812 Energy: 0.24370092092248719 Energy: 0.18014955569229754 Energy: 0.180149555690983 Energy: 0.17126024805165466 Energy: 0.18014720196241443 Energy: 0.1801472019620858 minimum gb energy = 0.17126024805165466 eV minimum distance = 2.60889861842386 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3112942966836421 Energy: 0.17570571700006515 Energy: 0.17570571699796425 Energy: 0.23418166323666795 Energy: 0.17432161724379547 Energy: 0.17432161724259496 Energy: 0.2502935463234915 Energy: 0.16852127561104935 Energy: 0.168521275610149 Energy: 0.1655581393625939 Energy: 0.17681890585547969 Energy: 0.17681890585427917 Energy: 0.16873474050063614 Energy: 0.1723188611283072 Energy: 0.17231886112890746 Energy: 0.16623895236087788 Energy: 0.17210294633098802 Energy: 0.17210294633158826 Energy: 0.33740607005755857 Energy: 0.16725358671321952 Energy: 0.16725358671532042 Energy: 0.3605833894115468 Energy: 0.17682132082948782 Energy: 0.17682132083008806 Energy: 0.2344556240708887 Energy: 0.17021795467642006 Energy: 0.17021795467551964 Energy: 0.16623497039885668 Energy: 0.1768857370607747 Energy: 0.17688573706047458 minimum gb energy = 0.1655581393625939 eV minimum distance = 2.61075154293764 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.35823886371761327 Energy: 0.1721162332426932 Energy: 0.17211623322943775 Energy: 0.3473744204811226 Energy: 0.16409555900998796 Energy: 0.16409555901084155 Energy: 0.16297377359497572 Energy: 0.1673533948847379 Energy: 0.16735339488443662 Energy: 0.16122671647416095 Energy: 0.1693069310421171 Energy: 0.16930693104322173 Energy: 0.1629580286550947 Energy: 0.16736263745446 Energy: 0.16736263745365668 Energy: 0.16127041926315125 Energy: 0.16930996492578324 Energy: 0.16930996492387523 Energy: 0.22295958677628944 Energy: 0.17157430767572857 Energy: 0.17157430767462395 Energy: 0.34341840119219846 Energy: 0.16930924353535218 Energy: 0.16930924353565344 Energy: 0.28124373401448705 Energy: 0.17157685854927665 Energy: 0.17157685854872434 Energy: 0.1618385650141399 Energy: 0.16930976169761433 Energy: 0.16930976169650971 minimum gb energy = 0.16122671647416095 eV minimum distance = 2.60811900419424 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.34127640028954415 Energy: 0.16669914407321382 Energy: 0.16669914406809924 Energy: 0.2160931836470146 Energy: 0.16493754850540934 Energy: 0.16493754850540934 Energy: 0.19005661814050823 Energy: 0.16311520575460645 Energy: 0.16311520575460645 Energy: 0.15841632118696394 Energy: 0.1631161892966037 Energy: 0.1631161892966037 Energy: 0.1568208393525275 Energy: 0.16687602180582722 Energy: 0.16687602180326994 Energy: 0.15812229984024517 Energy: 0.1986928760509339 Energy: 0.19869287601262112 Energy: 0.21619238444721123 Energy: 0.16311751907660108 Energy: 0.16311751907660108 Energy: 0.37563399518739815 Energy: 0.16308479815537086 Energy: 0.16308479824994387 Energy: 0.3320344671768197 Energy: 0.15898523058141856 Energy: 0.15898523058397585 Energy: 0.21089237124400861 Energy: 0.16308657061937407 Energy: 0.16308657061937407 minimum gb energy = 0.1568208393525275 eV minimum distance = 2.5982001726448 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.32669771729242747 Energy: 0.16382504865910288 Energy: 0.16382504866386513 Energy: 0.21025869250388782 Energy: 0.16104379244239414 Energy: 0.1610437924447753 Energy: 0.15385635269459758 Energy: 0.16279917369454017 Energy: 0.16279917369215902 Energy: 0.15297345428666428 Energy: 0.16472332445447502 Energy: 0.1647233244568561 Energy: 0.15260325278527798 Energy: 0.16104302128238399 Energy: 0.16104302128238399 Energy: 0.2797969951551944 Energy: 0.15570092431484617 Energy: 0.15570092431484617 Energy: 0.30419370776814997 Energy: 0.1579900714596863 Energy: 0.15799007145730518 Energy: 0.3593790257785391 Energy: 0.16283423767225377 Energy: 0.16283423766987262 Energy: 0.25807156288948796 Energy: 0.16472394463890827 Energy: 0.16472394463652712 Energy: 0.1557063334595368 Energy: 0.19086210289625857 Energy: 0.19086210289387745 minimum gb energy = 0.15260325278527798 eV minimum distance = 2.60137917793304 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.012550488083414304 Energy: 0.01300391141387827 Energy: 0.013003911413171627 Energy: 0.012874599835561527 Energy: 0.12931558441756794 Energy: 0.12931558449147104 Energy: 0.012940257853772423 Energy: 0.12931558441998228 Energy: 0.1293155844196486 Energy: 0.012885294605715365 Energy: 0.12931558442689167 Energy: 0.12931558442102262 Energy: 0.012901573060249423 Energy: 0.1293155844068701 Energy: 0.12931558441792124 Energy: 0.012961628461753902 Energy: 0.12931558441307292 Energy: 0.1293155844127392 Energy: 0.013002252292784712 Energy: 0.12931558441205215 Energy: 0.12931558443829613 Energy: 0.01302712219246353 Energy: 0.013057267447437085 Energy: 0.01305726744814373 Energy: 0.012897708648690765 Energy: 0.12931558442137597 Energy: 0.1293155844344881 Energy: 0.01293730927995198 Energy: 0.12931558441377952 Energy: 0.1293155844092845 minimum gb energy = 0.012550488083414304 eV minimum distance = 2.83878999180084 Angstroms sigma value = 1