model_name=Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_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=4.0469995588064185 cohesive_energy=3.357264015404516 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010332454129341383 Energy: 0.010332454130314497 Energy: 0.010332454129341383 Energy: 0.010332454129814038 Energy: 0.08438752402108088 Energy: 0.084387524022054 Energy: 0.010332454129814038 Energy: 0.08438752401913467 Energy: 0.08438752401913467 Energy: 0.010332454130314497 Energy: 0.0843875240401539 Energy: 0.0843875240245007 Energy: 0.3864019579312307 Energy: 0.010332454130814954 Energy: 0.010332454129341383 Energy: 0.3620199820796751 Energy: 0.010332454129814038 Energy: 0.010332454129814038 Energy: 0.386401957940517 Energy: 0.010332454129341383 Energy: 0.010332454129814038 Energy: 0.010332454130314497 Energy: 0.08438752401913467 Energy: 0.08438752402158134 Energy: 0.010332454129341383 Energy: 0.08438752401863421 Energy: 0.0843875240245007 Energy: 0.010332454129814038 Energy: 0.0843875240254738 Energy: 0.08438752403136808 minimum gb energy = 0.010332454129341383 eV minimum distance = 2.65863639250558 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.38309732284464787 Energy: 0.3036058158217658 Energy: 0.3036058372663985 Energy: 0.33995057107783844 Energy: 0.292492911837054 Energy: 0.2924929338123437 Energy: 0.3369965148432764 Energy: 0.3285349125576502 Energy: 0.32853550990710767 Energy: 0.3444116501345454 Energy: 0.2950037962701044 Energy: 0.2950017891174472 Energy: 0.32417592809475604 Energy: 0.2980278790568918 Energy: 0.29802791353826347 Energy: 0.30343023721100115 Energy: 0.31208359566640675 Energy: 0.31208326926453167 Energy: 0.29483537704595864 Energy: 0.2980543407888701 Energy: 0.29805441206723454 Energy: 0.3235096071623917 Energy: 0.3193838746529333 Energy: 0.31938389325102157 Energy: 0.34499932712858633 Energy: 0.31892165552674395 Energy: 0.31892167699318524 Energy: 0.34272172188230204 Energy: 0.3026774364581643 Energy: 0.3026774188855847 minimum gb energy = 0.292492911837054 eV minimum distance = 2.48181035831721 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.38825651296152597 Energy: 0.30445896833090574 Energy: 0.30445891939794373 Energy: 0.33228230841380485 Energy: 0.30535225265128985 Energy: 0.3053547720989698 Energy: 0.31948253002256655 Energy: 0.3075176514292136 Energy: 0.3075176425582144 Energy: 0.3013698114335131 Energy: 0.3080118702994527 Energy: 0.30801088168983004 Energy: 0.3411162193039117 Energy: 0.307656314728937 Energy: 0.3076566776996523 Energy: 0.3714792419420989 Energy: 0.3042530465805327 Energy: 0.30425316183056245 Energy: 0.3008243288250074 Energy: 0.3246374528579545 Energy: 0.3246371554302988 Energy: 0.30886836909204946 Energy: 0.3079547251356906 Energy: 0.30795470159492283 Energy: 0.29773917255430377 Energy: 0.30931179814656734 Energy: 0.3093113346568877 Energy: 0.32483176505030315 Energy: 0.3172060238076354 Energy: 0.3172057844599671 minimum gb energy = 0.29773917255430377 eV minimum distance = 2.44979985432062 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.392528631775798 Energy: 0.30574874493327464 Energy: 0.3057486599886339 Energy: 0.3451663738956628 Energy: 0.30493832693763523 Energy: 0.3049383974132083 Energy: 0.3729933736287244 Energy: 0.3418922162660204 Energy: 0.34189221493839894 Energy: 0.34942360983752097 Energy: 0.38736317070003934 Energy: 0.38736374218645214 Energy: 0.3192051448768493 Energy: 0.3156273916202745 Energy: 0.31562743022378886 Energy: 0.3180715138797932 Energy: 0.321875549898954 Energy: 0.32187515524300514 Energy: 0.32825999268524336 Energy: 0.32791612009777205 Energy: 0.32791898135401504 Energy: 0.360103708249981 Energy: 0.3832242152966553 Energy: 0.3832189235021408 Energy: 0.3450106701208793 Energy: 0.3433803698181246 Energy: 0.34338135851937185 Energy: 0.3275571224343499 Energy: 0.3206739176373838 Energy: 0.3206739089739645 minimum gb energy = 0.30493832693763523 eV minimum distance = 2.44717283097587 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.3984798892318675 Energy: 0.31769269576320447 Energy: 0.31769258631852376 Energy: 0.36144391241918755 Energy: 0.3504529739274988 Energy: 0.35045297451729246 Energy: 0.34195133278474515 Energy: 0.34081848624488376 Energy: 0.340818495879744 Energy: 0.34666421328215724 Energy: 0.3378771113436706 Energy: 0.33787702955859417 Energy: 0.37186170551416836 Energy: 0.3545441085299363 Energy: 0.3545475036475402 Energy: 0.3787115696519221 Energy: 0.322126537503073 Energy: 0.3221264645733798 Energy: 0.3718626600755354 Energy: 0.37403687586466516 Energy: 0.3740373964179435 Energy: 0.315204236681185 Energy: 0.3189894655905295 Energy: 0.31898911625312837 Energy: 0.3500594051926302 Energy: 0.32141487660392926 Energy: 0.3214151292941375 Energy: 0.36579966329741453 Energy: 0.3317444557524248 Energy: 0.3317445946025581 minimum gb energy = 0.315204236681185 eV minimum distance = 2.48670111226049 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4027661384476213 Energy: 0.33262652416595295 Energy: 0.33262652229812056 Energy: 0.38466703807357927 Energy: 0.3555136934758511 Energy: 0.3555135278192097 Energy: 0.3705395015739803 Energy: 0.35012158108850844 Energy: 0.3501216142669503 Energy: 0.3288193401742709 Energy: 0.36292434570898613 Energy: 0.3629243750348249 Energy: 0.3965933507505572 Energy: 0.33925080910832983 Energy: 0.3392508226628517 Energy: 0.35457252120717814 Energy: 0.33981846158465717 Energy: 0.3398184043296553 Energy: 0.3638361841844667 Energy: 0.345194459630291 Energy: 0.3451944585099218 Energy: 0.36983954263003366 Energy: 0.3403658143503574 Energy: 0.34036581852445563 Energy: 0.35596462449564503 Energy: 0.3296024477814194 Energy: 0.3296023275469727 Energy: 0.3823016373064544 Energy: 0.3373069422632219 Energy: 0.33730678417847676 minimum gb energy = 0.3288193401742709 eV minimum distance = 2.5021373292081 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4071964815452856 Energy: 0.3408264625576335 Energy: 0.34082647563749513 Energy: 0.33785216952231456 Energy: 0.3362190619628847 Energy: 0.336219159533463 Energy: 0.3849200277352059 Energy: 0.38449513666018903 Energy: 0.38449513790758166 Energy: 0.3723173835213704 Energy: 0.37478328199471805 Energy: 0.37478324255366385 Energy: 0.3698537451314017 Energy: 0.34420153044978474 Energy: 0.3442011700980784 Energy: 0.3868728607237226 Energy: 0.35306554530241 Energy: 0.35306057291703336 Energy: 0.34018814846764345 Energy: 0.35445230997809873 Energy: 0.3544522654063369 Energy: 0.3867312225538475 Energy: 0.37416326352138535 Energy: 0.37416327767536667 Energy: 0.3849198217563783 Energy: 0.38050887356913105 Energy: 0.38050861939368646 Energy: 0.37993188042295617 Energy: 0.3353088621089437 Energy: 0.33530886091119355 minimum gb energy = 0.33530886091119355 eV minimum distance = 2.43817162335238 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.41185147285409507 Energy: 0.3550976955240273 Energy: 0.3550977636354043 Energy: 0.3768188001469691 Energy: 0.356609693473216 Energy: 0.35660990616769606 Energy: 0.365237977416319 Energy: 0.3556421554759928 Energy: 0.35564218405493364 Energy: 0.40935234283925764 Energy: 0.3818797123445068 Energy: 0.3818797004414128 Energy: 0.43939769180451366 Energy: 0.3626225243098957 Energy: 0.3626225736345954 Energy: 0.381313760596959 Energy: 0.3580163944568968 Energy: 0.3580163886681768 Energy: 0.3601281312484516 Energy: 0.3848891121581816 Energy: 0.3848891029465832 Energy: 0.3534808249130074 Energy: 0.35840277764257544 Energy: 0.3584027661667271 Energy: 0.35799022033381805 Energy: 0.3566096006449106 Energy: 0.35661073878062427 Energy: 0.36816748696775403 Energy: 0.3566777775277763 Energy: 0.35667756315992943 minimum gb energy = 0.3534808249130074 eV minimum distance = 2.43367026965367 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.4088977290578452 Energy: 0.3615068075541193 Energy: 0.36150699591855945 Energy: 0.3631610404576972 Energy: 0.36311993457481745 Energy: 0.36311983768832873 Energy: 0.39980857866839475 Energy: 0.3703052567279811 Energy: 0.37008333098328383 Energy: 0.3953937275728944 Energy: 0.3676118248564339 Energy: 0.36761394000081843 Energy: 0.36942452326112046 Energy: 0.3662999095108781 Energy: 0.36630017177052265 Energy: 0.3713033310476863 Energy: 0.36620927218006877 Energy: 0.36620952530802164 Energy: 0.408882990108129 Energy: 0.37306365310338013 Energy: 0.3730636538696239 Energy: 0.40837400287326103 Energy: 0.38782635626422235 Energy: 0.3878264499128665 Energy: 0.37961354122339097 Energy: 0.36312002064605237 Energy: 0.3631200206454454 Energy: 0.3855344795658023 Energy: 0.3555651985387307 Energy: 0.35556462197917754 minimum gb energy = 0.35556462197917754 eV minimum distance = 2.41694272249704 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.4339565516880545 Energy: 0.3657704705707436 Energy: 0.3657697088783385 Energy: 0.430564396676384 Energy: 0.38456154533255965 Energy: 0.3845614090565223 Energy: 0.402309559479588 Energy: 0.37503190192181585 Energy: 0.3750311569983317 Energy: 0.41970054210286206 Energy: 0.39246752503751303 Energy: 0.3924674636827355 Energy: 0.41578290717043775 Energy: 0.41745088425074317 Energy: 0.4174509172048856 Energy: 0.3821499675260087 Energy: 0.3677919165499084 Energy: 0.36779068605346227 Energy: 0.40457262314386855 Energy: 0.4047773591269748 Energy: 0.4047774478784634 Energy: 0.4134944064298414 Energy: 0.41842335507632133 Energy: 0.41842453261422363 Energy: 0.42071105930521335 Energy: 0.39603351307947393 Energy: 0.3960353420820025 Energy: 0.4239212003287921 Energy: 0.39021466106785674 Energy: 0.3899103423882423 minimum gb energy = 0.3657697088783385 eV minimum distance = 2.42363160546248 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.41774875580658344 Energy: 0.36422983180601015 Energy: 0.36422976112265437 Energy: 0.4253803320178484 Energy: 0.4108227380299363 Energy: 0.41082271109924534 Energy: 0.4141923782614888 Energy: 0.3708552531128235 Energy: 0.3708552365993993 Energy: 0.3640173341779589 Energy: 0.39143220109522686 Energy: 0.39143194159600253 Energy: 0.3931204757086059 Energy: 0.39667831700596623 Energy: 0.3966782404859 Energy: 0.41338040769572293 Energy: 0.36286143883287386 Energy: 0.3628615685219809 Energy: 0.40788283766666084 Energy: 0.42289908036222806 Energy: 0.4228989188450515 Energy: 0.4208993461775442 Energy: 0.4100973586852967 Energy: 0.4100975605587969 Energy: 0.3888722554349899 Energy: 0.38457283193225894 Energy: 0.38457430838878237 Energy: 0.40384616817078406 Energy: 0.37386262661097025 Energy: 0.373862596768797 minimum gb energy = 0.36286143883287386 eV minimum distance = 2.42686296484219 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.4375506719721381 Energy: 0.37297852684362054 Energy: 0.3729784017470698 Energy: 0.4269224667201637 Energy: 0.41036286246639303 Energy: 0.41005011518474027 Energy: 0.4651341218427576 Energy: 0.3876357475698513 Energy: 0.3876352288273653 Energy: 0.3983767405319375 Energy: 0.3884632672805344 Energy: 0.3884633137692223 Energy: 0.38708082916746434 Energy: 0.3729785067983284 Energy: 0.37297833575081685 Energy: 0.39144933692713785 Energy: 0.40960236830344426 Energy: 0.40465166076547 Energy: 0.42297922832223545 Energy: 0.37760759106330544 Energy: 0.37722203854234115 Energy: 0.380186856800493 Energy: 0.38508147393055464 Energy: 0.38508248532695194 Energy: 0.41780713491823784 Energy: 0.40626410535273694 Energy: 0.40626456375810904 Energy: 0.41258084115517124 Energy: 0.412102028393171 Energy: 0.4121021084985796 minimum gb energy = 0.37297833575081685 eV minimum distance = 2.42854401141243 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.39564043415838357 Energy: 0.38926621016725393 Energy: 0.3892661303330362 Energy: 0.40707829565650033 Energy: 0.39605728878905433 Energy: 0.3960572925080398 Energy: 0.4015550915886414 Energy: 0.4107955958724185 Energy: 0.4107957239201072 Energy: 0.37714699279270303 Energy: 0.42123288713260054 Energy: 0.42123288942753717 Energy: 0.4015553993776773 Energy: 0.39990661764599433 Energy: 0.3999062547418202 Energy: 0.3748470972723958 Energy: 0.3731385579013175 Energy: 0.37313855808705737 Energy: 0.4258534356795999 Energy: 0.3846547153909395 Energy: 0.3846547105405659 Energy: 0.4279546127793415 Energy: 0.39800331265366146 Energy: 0.398003203575671 Energy: 0.5128678607455565 Energy: 0.3704060704761429 Energy: 0.37040606384466607 Energy: 0.4251827705355948 Energy: 0.4099549354491048 Energy: 0.4099544634974914 minimum gb energy = 0.37040606384466607 eV minimum distance = 2.50696028658632 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.4434326458290454 Energy: 0.39466707531534717 Energy: 0.3946668590606522 Energy: 0.44976279049455214 Energy: 0.4476322746087478 Energy: 0.4476323891099924 Energy: 0.3982980072259298 Energy: 0.3831431761799987 Energy: 0.38314330721803963 Energy: 0.42174652345279273 Energy: 0.4140726159043493 Energy: 0.4140726092917993 Energy: 0.38386663753205563 Energy: 0.383143328294154 Energy: 0.3831431848731814 Energy: 0.46544662693976824 Energy: 0.41554448805422844 Energy: 0.4155445921412285 Energy: 0.37579115159358234 Energy: 0.4192416680440815 Energy: 0.4192415523235905 Energy: 0.504628506524734 Energy: 0.371030756115339 Energy: 0.37103077809400115 Energy: 0.4122666579884809 Energy: 0.4438682947796866 Energy: 0.4438718378695313 Energy: 0.5076858025175095 Energy: 0.3796670096280834 Energy: 0.3796670096285211 minimum gb energy = 0.371030756115339 eV minimum distance = 2.43949018679413 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.4196071834135858 Energy: 0.3673779894161571 Energy: 0.36737798473410965 Energy: 0.4236757387432643 Energy: 0.3626618641199713 Energy: 0.3626618679828546 Energy: 0.4112836491579221 Energy: 0.41644350506099026 Energy: 0.41644351547164726 Energy: 0.4050803403378176 Energy: 0.4584126067874161 Energy: 0.45841257209451025 Energy: 0.3836149249482884 Energy: 0.39748758634196385 Energy: 0.39748757674857355 Energy: 0.3983315222578404 Energy: 0.362661864469138 Energy: 0.36266186633486414 Energy: 0.41104285393547085 Energy: 0.3788404810744482 Energy: 0.3788404798341423 Energy: 0.411042893573286 Energy: 0.3983316141935468 Energy: 0.39833140639001147 Energy: 0.43028185178321 Energy: 0.42193491854765014 Energy: 0.4219348298800725 Energy: 0.4354812698077394 Energy: 0.42193477810882113 Energy: 0.42193479923419736 minimum gb energy = 0.3626618641199713 eV minimum distance = 2.43715735811808 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.4154188405175773 Energy: 0.3973681529093276 Energy: 0.39736792073691507 Energy: 0.41043090705548285 Energy: 0.44238662224239506 Energy: 0.44238670588977347 Energy: 0.4193616797441399 Energy: 0.44238692072450064 Energy: 0.44239089991387226 Energy: 0.4271174235041414 Energy: 0.4037490843188065 Energy: 0.4041291422238369 Energy: 0.39597437355506393 Energy: 0.42528902641094507 Energy: 0.42528913982125066 Energy: 0.41428057786372463 Energy: 0.43761355716758943 Energy: 0.43915343572174365 Energy: 0.42152623581609455 Energy: 0.4041281595660646 Energy: 0.40412575232903797 Energy: 0.4196637161053954 Energy: 0.40961254100746725 Energy: 0.40961202346657305 Energy: 0.4082806702355122 Energy: 0.421215285114321 Energy: 0.42121571859072493 Energy: 0.4224527312767102 Energy: 0.4037248194424244 Energy: 0.4036643716427838 minimum gb energy = 0.39597437355506393 eV minimum distance = 2.41450451028011 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.4364527458434161 Energy: 0.4055582948145712 Energy: 0.4055584367442536 Energy: 0.4483823771136036 Energy: 0.43612468740939064 Energy: 0.43612469989316127 Energy: 0.4245995294989586 Energy: 0.4379983234284649 Energy: 0.43799831617673574 Energy: 0.4170658961048699 Energy: 0.4542496689390591 Energy: 0.45423173837603587 Energy: 0.41738803869674806 Energy: 0.44391877414282427 Energy: 0.4439187677627 Energy: 0.42230059128704295 Energy: 0.43115446344657227 Energy: 0.431154468687106 Energy: 0.41271740279987396 Energy: 0.4018728559780365 Energy: 0.40187307726887367 Energy: 0.4263946444482861 Energy: 0.4018730830669952 Energy: 0.4018727445429432 Energy: 0.5135035565341923 Energy: 0.4014415274738416 Energy: 0.4014417670804913 Energy: 0.4316941471374984 Energy: 0.42699101970693426 Energy: 0.4269910173471742 minimum gb energy = 0.4014415274738416 eV minimum distance = 2.39521846782818 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.46087858918021385 Energy: 0.40236685757685053 Energy: 0.40236685473709066 Energy: 0.39790148937934156 Energy: 0.40236685703756025 Energy: 0.40236685400351047 Energy: 0.41079374593587553 Energy: 0.3989739575357437 Energy: 0.39897397244504984 Energy: 0.4068152559655901 Energy: 0.43550936500628334 Energy: 0.43550938573481657 Energy: 0.43163919559905783 Energy: 0.46032036220618244 Energy: 0.46032036210278565 Energy: 0.42128945377037164 Energy: 0.435022268581885 Energy: 0.43502225536740546 Energy: 0.4348292823272106 Energy: 0.43858001216199677 Energy: 0.4399583158169432 Energy: 0.47136461371994054 Energy: 0.4076363042797736 Energy: 0.4076363699617242 Energy: 0.4871589425065655 Energy: 0.3976007448197237 Energy: 0.39760072045736616 Energy: 0.416114457716489 Energy: 0.40911155296693785 Energy: 0.4091116378482767 minimum gb energy = 0.39760072045736616 eV minimum distance = 2.41482067967231 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.41465116030177834 Energy: 0.40626855178741145 Energy: 0.40626861653744933 Energy: 0.5347709625146446 Energy: 0.3883306987371946 Energy: 0.38833075008807977 Energy: 0.4093411442267101 Energy: 0.40626908681329116 Energy: 0.4062688465968497 Energy: 0.3883306987882007 Energy: 0.4136557866584763 Energy: 0.4136560587054309 Energy: 0.4093421653309676 Energy: 0.4003851775344301 Energy: 0.4003851975304995 Energy: 0.38833069898747796 Energy: 0.4331543589255557 Energy: 0.4331543661607367 Energy: 0.5325288224981286 Energy: 0.4763891803884971 Energy: 0.47638917387813695 Energy: 0.4012944438823192 Energy: 0.4292310560747604 Energy: 0.42923106457808136 Energy: 0.405001466619397 Energy: 0.4088925814921213 Energy: 0.4088925803710927 Energy: 0.39863212122505065 Energy: 0.427495447754818 Energy: 0.4274954635158425 minimum gb energy = 0.3883306987371946 eV minimum distance = 2.48089228889009 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.4254074323698396 Energy: 0.41101268141078945 Energy: 0.41101232799377135 Energy: 0.4187149978475837 Energy: 0.4369332514832365 Energy: 0.43693324499499225 Energy: 0.41167297815414305 Energy: 0.450002199728451 Energy: 0.4500015141528043 Energy: 0.41864107210003293 Energy: 0.415817779354859 Energy: 0.4158176447656641 Energy: 0.41155996443406506 Energy: 0.46256424725974116 Energy: 0.462563899693241 Energy: 0.42305225732337026 Energy: 0.45149360131655286 Energy: 0.4514908719654956 Energy: 0.41187606170860186 Energy: 0.411012322991081 Energy: 0.41101231170529046 Energy: 0.4187157434169162 Energy: 0.4162454306411244 Energy: 0.4162454006682517 Energy: 0.41899675545500165 Energy: 0.44614995778407107 Energy: 0.44615030247901233 Energy: 0.4080903125148804 Energy: 0.41581769921693473 Energy: 0.4158176332007125 minimum gb energy = 0.4080903125148804 eV minimum distance = 2.41616871272167 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.4339568014578176 Energy: 0.4166129564118095 Energy: 0.4166129697644343 Energy: 0.4279051306985443 Energy: 0.45977256353787993 Energy: 0.45977282866893293 Energy: 0.41100504014055367 Energy: 0.4704569998329713 Energy: 0.47045638684386853 Energy: 0.40578413223694587 Energy: 0.43274651914144613 Energy: 0.4327464474968851 Energy: 0.4225553213823391 Energy: 0.4335879828065703 Energy: 0.43358813602241364 Energy: 0.4131577851133841 Energy: 0.4372487177737969 Energy: 0.4372486994663851 Energy: 0.4181584311975963 Energy: 0.39950109218294233 Energy: 0.39950064010140796 Energy: 0.40793673657815577 Energy: 0.4156140844587994 Energy: 0.4156138470239456 Energy: 0.44651857334183465 Energy: 0.4258595375728751 Energy: 0.42585951087663815 Energy: 0.46403361838303847 Energy: 0.4353683533625395 Energy: 0.4353682908386476 minimum gb energy = 0.39950064010140796 eV minimum distance = 2.4138832638745 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.4097119598270438 Energy: 0.40331439140091846 Energy: 0.40331444000107913 Energy: 0.4231880460656605 Energy: 0.43372250038009835 Energy: 0.43372234355180145 Energy: 0.4203802342414458 Energy: 0.40670234281431905 Energy: 0.40670300831252215 Energy: 0.44658118341270314 Energy: 0.40776847539498207 Energy: 0.40776847884094125 Energy: 0.4756516669422243 Energy: 0.4070961830936934 Energy: 0.40709571462973065 Energy: 0.49859526900717 Energy: 0.4657466164335349 Energy: 0.46574672789669563 Energy: 0.41325171588085735 Energy: 0.4299284099761837 Energy: 0.429947833734484 Energy: 0.384323908648924 Energy: 0.3930388629848369 Energy: 0.3930388679586062 Energy: 0.4097119455702536 Energy: 0.43040316601412715 Energy: 0.4304031682554305 Energy: 0.4148961052806646 Energy: 0.40926837894557483 Energy: 0.409268457555565 minimum gb energy = 0.384323908648924 eV minimum distance = 2.45635645127977 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.4210707269403273 Energy: 0.3923944875772402 Energy: 0.39239260219350025 Energy: 0.40834014377457983 Energy: 0.41160573967698333 Energy: 0.4116057445675657 Energy: 0.38768943229653036 Energy: 0.41529063853311404 Energy: 0.4152907005731151 Energy: 0.40309858141685057 Energy: 0.4065679205623781 Energy: 0.4065713385908878 Energy: 0.5775275183968834 Energy: 0.4266119342542682 Energy: 0.4266119347855392 Energy: 0.4150753250888196 Energy: 0.40374715798000443 Energy: 0.4037482291460847 Energy: 0.40617255511568245 Energy: 0.4299484028468814 Energy: 0.42994849978808874 Energy: 0.4550676241701925 Energy: 0.415224197054408 Energy: 0.41522432266215786 Energy: 0.42107073067141065 Energy: 0.3923943994633512 Energy: 0.3923947876259361 Energy: 0.41310575957031886 Energy: 0.456761954837888 Energy: 0.45676347111824467 minimum gb energy = 0.38768943229653036 eV minimum distance = 2.4125453041683 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.4190494704364775 Energy: 0.41749888612503294 Energy: 0.41749887905981964 Energy: 0.41806023061707726 Energy: 0.3935444923064837 Energy: 0.39354364189942465 Energy: 0.39840605868988466 Energy: 0.3945477337175973 Energy: 0.39454772844644664 Energy: 0.42007611947658224 Energy: 0.4095795767166146 Energy: 0.40957959058810667 Energy: 0.5636959792403601 Energy: 0.4173933858265895 Energy: 0.4173933654022913 Energy: 0.481097657311025 Energy: 0.40957955595537765 Energy: 0.4095797854826277 Energy: 0.3984069304752801 Energy: 0.394548835330485 Energy: 0.39454935136411956 Energy: 0.4177865657049839 Energy: 0.3935444927919409 Energy: 0.3935437076493978 Energy: 0.41904689471310247 Energy: 0.4174985989411407 Energy: 0.4174985982445653 Energy: 0.41459059937991544 Energy: 0.393543648879046 Energy: 0.3935438535818443 minimum gb energy = 0.39354364189942465 eV minimum distance = 2.41318386490742 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.327558275108864 Energy: 0.3995323372193516 Energy: 0.39953202402010846 Energy: 0.39281708171879387 Energy: 0.3309368595734178 Energy: 0.33093686176825543 Energy: 0.3376483618677191 Energy: 0.3819525231268713 Energy: 0.3819524565245967 Energy: 0.3789473443762727 Energy: 0.3309368597157451 Energy: 0.3309368607443214 Energy: 0.327558279792373 Energy: 0.399533816932764 Energy: 0.39953180158924884 Energy: 0.48809863431031325 Energy: 0.3309368634742846 Energy: 0.3309369510409532 Energy: 0.3376483608004574 Energy: 0.38195245698245683 Energy: 0.38195245709534803 Energy: 0.3789473121748753 Energy: 0.40127351697055114 Energy: 0.40127351858380556 Energy: 0.32755827607093646 Energy: 0.43529413426654745 Energy: 0.43529413715582443 Energy: 0.48809863423143 Energy: 0.5046978152857291 Energy: 0.5046977983505672 minimum gb energy = 0.327558275108864 eV minimum distance = 2.44442592333428 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.41381264959817304 Energy: 0.40151684664447046 Energy: 0.4015194495974713 Energy: 0.4490173527219875 Energy: 0.4379137447176901 Energy: 0.43791322241673225 Energy: 0.3730761301993337 Energy: 0.4215575820218468 Energy: 0.4215576664082456 Energy: 0.43440944286167626 Energy: 0.4116743913948195 Energy: 0.41167473275925015 Energy: 0.3918296619357171 Energy: 0.4299810608206399 Energy: 0.4299810230290453 Energy: 0.3748081968523326 Energy: 0.416622115217412 Energy: 0.416622613374434 Energy: 0.4677256110346415 Energy: 0.45195347503087957 Energy: 0.45195203322170013 Energy: 0.40692866979897574 Energy: 0.4310908757204509 Energy: 0.43109050071760163 Energy: 0.44612511521505654 Energy: 0.4273286326507435 Energy: 0.4273300627093833 Energy: 0.39422182500169956 Energy: 0.40987089214992645 Energy: 0.40987093109865064 minimum gb energy = 0.3730761301993337 eV minimum distance = 2.42657057385319 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.42205333401234035 Energy: 0.4136031995513992 Energy: 0.4136032140490118 Energy: 0.3888999698526702 Energy: 0.3892459978527737 Energy: 0.3892459979488914 Energy: 0.39097327682025934 Energy: 0.42499234059606267 Energy: 0.42499317436961975 Energy: 0.3871892574348178 Energy: 0.4126252394770689 Energy: 0.4126252374804302 Energy: 0.4287309854339636 Energy: 0.42726638032848696 Energy: 0.42726637784291693 Energy: 0.49587694906185986 Energy: 0.4017229142278035 Energy: 0.4017229187534723 Energy: 0.6080522226278863 Energy: 0.3688688327075721 Energy: 0.36886880422843354 Energy: 0.5026177312266709 Energy: 0.36328862369891185 Energy: 0.3632890314850206 Energy: 0.4272886731362328 Energy: 0.43156366579326694 Energy: 0.4315643575459491 Energy: 0.4585190775252967 Energy: 0.4213923769603306 Energy: 0.421394163233023 minimum gb energy = 0.36328862369891185 eV minimum distance = 2.43744330871913 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.3892075492447005 Energy: 0.4363840674652939 Energy: 0.43638411560437157 Energy: 0.5772297304860569 Energy: 0.416123917550348 Energy: 0.4161238702630952 Energy: 0.42586939271447505 Energy: 0.4499049774359307 Energy: 0.44990448271213357 Energy: 0.41667861349894875 Energy: 0.4500699112787738 Energy: 0.45007023953942016 Energy: 0.48806478166494593 Energy: 0.4403742743481262 Energy: 0.4403739480333143 Energy: 0.41667861957231084 Energy: 0.42880697315593846 Energy: 0.4288052285514024 Energy: 0.5164496855185743 Energy: 0.46400166300676254 Energy: 0.46400168282857945 Energy: 0.39993024312763337 Energy: 0.4361252040284659 Energy: 0.43612523020870597 Energy: 0.4330037990464475 Energy: 0.42435085536577183 Energy: 0.4243509140806922 Energy: 0.39597090938044455 Energy: 0.4243508483844839 Energy: 0.4243509823043635 minimum gb energy = 0.3892075492447005 eV minimum distance = 2.42969156368123 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.42688741713899764 Energy: 0.4218148230567191 Energy: 0.421815847606445 Energy: 0.4185460030952874 Energy: 0.44497254951475346 Energy: 0.444973532485555 Energy: 0.41777518989686646 Energy: 0.4404036667594127 Energy: 0.4404027153701512 Energy: 0.3819059900846886 Energy: 0.4153953673766685 Energy: 0.4153953658171442 Energy: 0.4323942824275171 Energy: 0.44447061288994977 Energy: 0.4444706024820281 Energy: 0.40516359439178823 Energy: 0.44445373895451107 Energy: 0.44445366127909475 Energy: 0.38911996728787923 Energy: 0.44164064701715666 Energy: 0.4416406609757116 Energy: 0.4081434670872031 Energy: 0.4456953772003623 Energy: 0.4456953144924057 Energy: 0.42904935404526623 Energy: 0.4184102264032419 Energy: 0.4184102743698952 Energy: 0.39701124073713784 Energy: 0.4520641862106572 Energy: 0.4520641494072389 minimum gb energy = 0.3819059900846886 eV minimum distance = 2.44051590069639 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.413542562748646 Energy: 0.4165688102692682 Energy: 0.4165688104491033 Energy: 0.4092059724483498 Energy: 0.41965364609800443 Energy: 0.41965367010362303 Energy: 0.4075355781001608 Energy: 0.4338808639558416 Energy: 0.4338808639558416 Energy: 0.39673081241922603 Energy: 0.45824337982446406 Energy: 0.4582435196229834 Energy: 0.5014184185081799 Energy: 0.39138650544569276 Energy: 0.3913862035051478 Energy: 0.44160728388922493 Energy: 0.41651883574679627 Energy: 0.41651883263324 Energy: 0.478716402172979 Energy: 0.3900490070618443 Energy: 0.3900490518878018 Energy: 0.42817900532123654 Energy: 0.437927971379727 Energy: 0.43792790967080436 Energy: 0.4265249406640673 Energy: 0.4570056996720862 Energy: 0.45700571256865025 Energy: 0.41446920146435184 Energy: 0.4167070689685216 Energy: 0.41670706688040576 minimum gb energy = 0.3900490070618443 eV minimum distance = 2.39718694870987 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.3978771484012417 Energy: 0.3979069189741896 Energy: 0.39790675104404016 Energy: 0.395669524684095 Energy: 0.4577351406023685 Energy: 0.4577358432489134 Energy: 0.5015243643979993 Energy: 0.4216436378047095 Energy: 0.42164363600323157 Energy: 0.4526084489973988 Energy: 0.4369686624543629 Energy: 0.43696887177268506 Energy: 0.3956695231546609 Energy: 0.45249328382790605 Energy: 0.452493011602775 Energy: 0.4044195595794209 Energy: 0.44172768892924624 Energy: 0.441727694273454 Energy: 0.4344144234056881 Energy: 0.3994066341051256 Energy: 0.3994066055326486 Energy: 0.505262214138347 Energy: 0.40515063770057097 Energy: 0.40515069016089517 Energy: 0.42733588866240746 Energy: 0.4457891889013687 Energy: 0.4457892491368094 Energy: 0.4044195614132361 Energy: 0.4447831391517794 Energy: 0.44478309280618017 minimum gb energy = 0.3956695231546609 eV minimum distance = 2.44286882169435 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.3894226243652873 Energy: 0.3956721883279225 Energy: 0.39567221472679126 Energy: 0.4037551553041992 Energy: 0.3927838322274156 Energy: 0.39278382871946105 Energy: 0.4369572981664327 Energy: 0.4583672283065064 Energy: 0.4583672283032937 Energy: 0.39004973907288765 Energy: 0.4373286483508966 Energy: 0.4373290952830471 Energy: 0.39873877959759635 Energy: 0.45592462873267203 Energy: 0.45592450971817766 Energy: 0.4903218990246616 Energy: 0.39618192178309153 Energy: 0.39618192181840156 Energy: 0.4079651743762493 Energy: 0.44916082909996924 Energy: 0.4491608321262302 Energy: 0.39629943622900426 Energy: 0.4341772995022122 Energy: 0.434177289278936 Energy: 0.49490792415185014 Energy: 0.4008631567494947 Energy: 0.40086170454143877 Energy: 0.3900497290602739 Energy: 0.4405743385638601 Energy: 0.44057383818852075 minimum gb energy = 0.3894226243652873 eV minimum distance = 2.4327174806708 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.39232795729279685 Energy: 0.39828924271839694 Energy: 0.3982892066072525 Energy: 0.41553329777708803 Energy: 0.421004726149912 Energy: 0.42100433285963534 Energy: 0.491547095672925 Energy: 0.3924804706547986 Energy: 0.39248041701175784 Energy: 0.3971391331425036 Energy: 0.45516221180918054 Energy: 0.4551619484237738 Energy: 0.3924805562596403 Energy: 0.4608836399239884 Energy: 0.46088367118410706 Energy: 0.4397215298101922 Energy: 0.3945301887672741 Energy: 0.3945301887568403 Energy: 0.39948174569540196 Energy: 0.45560660537019776 Energy: 0.45560736397478613 Energy: 0.39248050795534767 Energy: 0.4889473858567446 Energy: 0.4889476138993118 Energy: 0.40247325452179067 Energy: 0.44224866813407504 Energy: 0.44224887033372834 Energy: 0.488986490911293 Energy: 0.42960590205899635 Energy: 0.4296059691739771 minimum gb energy = 0.39232795729279685 eV minimum distance = 2.41898734957281 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.40316702989356734 Energy: 0.3952965159372149 Energy: 0.3952965224576919 Energy: 0.400846595129017 Energy: 0.4315537187572763 Energy: 0.4315540343132592 Energy: 0.4401531164005255 Energy: 0.41082986818481765 Energy: 0.41083005573147147 Energy: 0.41933903737594097 Energy: 0.40601881697200637 Energy: 0.4060189317893613 Energy: 0.48986228496693707 Energy: 0.3826261361183034 Energy: 0.3826262755518593 Energy: 0.4112076730002712 Energy: 0.45676049790284 Energy: 0.4567602847385484 Energy: 0.3963566702445573 Energy: 0.4364206208941899 Energy: 0.4364204884717419 Energy: 0.411647609929568 Energy: 0.38388128740011324 Energy: 0.3838812345221363 Energy: 0.39634659518577103 Energy: 0.4449223366217085 Energy: 0.4449223901113495 Energy: 0.38216291306379563 Energy: 0.43638125857420446 Energy: 0.4363812515493456 minimum gb energy = 0.38216291306379563 eV minimum distance = 2.42199641443203 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.3969850298848439 Energy: 0.39324296412103343 Energy: 0.3932429718654879 Energy: 0.47808884778064215 Energy: 0.37865800912317626 Energy: 0.37865801711149744 Energy: 0.38408166221050216 Energy: 0.424148948913135 Energy: 0.42414862131923176 Energy: 0.4951403783927342 Energy: 0.3810569212696084 Energy: 0.3810566751459617 Energy: 0.3978287414394893 Energy: 0.4256294174800671 Energy: 0.42562941708243607 Energy: 0.4351254594072708 Energy: 0.38176296904059115 Energy: 0.381763117018331 Energy: 0.39974746099113223 Energy: 0.40867859648278 Energy: 0.40867863297831186 Energy: 0.3861248274807108 Energy: 0.38712161480395685 Energy: 0.3871206812719256 Energy: 0.39489021795194557 Energy: 0.38277181549133404 Energy: 0.38277180994929233 Energy: 0.389053320994829 Energy: 0.42076682295070866 Energy: 0.4207671073172519 minimum gb energy = 0.37865800912317626 eV minimum distance = 2.41523076051598 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.39270704627456987 Energy: 0.3913477001329398 Energy: 0.39134659267263067 Energy: 0.3895652583655885 Energy: 0.42169727127790385 Energy: 0.4216972125071493 Energy: 0.3787542028859615 Energy: 0.42257076181607534 Energy: 0.422570786031611 Energy: 0.3765745596361396 Energy: 0.424990904941447 Energy: 0.42499090469057377 Energy: 0.3760563641637615 Energy: 0.41388711510086806 Energy: 0.41388709488978936 Energy: 0.39562583809705776 Energy: 0.394868516960767 Energy: 0.39486851707038795 Energy: 0.42565146752500066 Energy: 0.38222317611339623 Energy: 0.3822232315040682 Energy: 0.47127261688516536 Energy: 0.3887369879806337 Energy: 0.3887369520986492 Energy: 0.38484926786038504 Energy: 0.3854534675651257 Energy: 0.38545394475800254 Energy: 0.4028146327918007 Energy: 0.37928048462128156 Energy: 0.37928031249689326 minimum gb energy = 0.3760563641637615 eV minimum distance = 2.41885151798971 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.35173113135187956 Energy: 0.3535604064662962 Energy: 0.3535604233681791 Energy: 0.31851273099220073 Energy: 0.3517311314361073 Energy: 0.35173114990243354 Energy: 0.3297667431374184 Energy: 0.3516575968036149 Energy: 0.3516575968038388 Energy: 0.3517311315078514 Energy: 0.3184994676661771 Energy: 0.31849946774013443 Energy: 0.39928996068670414 Energy: 0.3517311314317306 Energy: 0.35173113135516215 Energy: 0.3301196710813819 Energy: 0.3516575971024284 Energy: 0.3516575968329343 Energy: 0.3184861264397482 Energy: 0.39929177808607286 Energy: 0.3992917696356661 Energy: 0.3301196712751779 Energy: 0.35173113138796297 Energy: 0.35173113136040923 Energy: 0.3301196710997344 Energy: 0.3517311331879806 Energy: 0.3517311315369469 Energy: 0.318499467640588 Energy: 0.3992917741043144 Energy: 0.3992918066542872 minimum gb energy = 0.3184861264397482 eV minimum distance = 2.44699160305813 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.36972080344658687 Energy: 0.3944704250080684 Energy: 0.3944716435662013 Energy: 0.3633927518643245 Energy: 0.4231945170855494 Energy: 0.42319452071279096 Energy: 0.35758329683079093 Energy: 0.4019333488228611 Energy: 0.401933369636055 Energy: 0.3564248043403109 Energy: 0.3997805868143142 Energy: 0.399781618457156 Energy: 0.4537992894883579 Energy: 0.3802956423200562 Energy: 0.3802952956824943 Energy: 0.452727837866977 Energy: 0.3581424760942721 Energy: 0.3581424755990999 Energy: 0.39213440673732175 Energy: 0.37236048709625585 Energy: 0.37236079228123603 Energy: 0.3663350082918481 Energy: 0.39464631636717196 Energy: 0.394656280865995 Energy: 0.37202657548281665 Energy: 0.41138628595039556 Energy: 0.41138562613536167 Energy: 0.37882599494305075 Energy: 0.46081740642260455 Energy: 0.4608169741732973 minimum gb energy = 0.3564248043403109 eV minimum distance = 2.48920851409331 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.3703147598615107 Energy: 0.39730309260106095 Energy: 0.3973030923913621 Energy: 0.3575576439597117 Energy: 0.40997993960738915 Energy: 0.40997784471569 Energy: 0.39455824912441095 Energy: 0.35740976574851696 Energy: 0.3574097657475227 Energy: 0.3746320750187937 Energy: 0.4051702533890194 Energy: 0.4051705716961695 Energy: 0.37323178108100596 Energy: 0.40913654402332994 Energy: 0.40913654402266714 Energy: 0.47120962793877386 Energy: 0.4115314408752056 Energy: 0.41153153536071146 Energy: 0.35519515493447695 Energy: 0.417667401312219 Energy: 0.41766760797027896 Energy: 0.38299026870543024 Energy: 0.48447742107000324 Energy: 0.48447747847173406 Energy: 0.37955064477176303 Energy: 0.3630560595268595 Energy: 0.3630560584793593 Energy: 0.4001684092002617 Energy: 0.35986927335169216 Energy: 0.35987098217357666 minimum gb energy = 0.35519515493447695 eV minimum distance = 2.43453785269571 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.37137504131751486 Energy: 0.4009131484578617 Energy: 0.40091314739021483 Energy: 0.35255574698400993 Energy: 0.38362300870599403 Energy: 0.38317518909102516 Energy: 0.35762493723073757 Energy: 0.3850719266473633 Energy: 0.38507196059815935 Energy: 0.36133261435555636 Energy: 0.40649755419646105 Energy: 0.40649768076871723 Energy: 0.36919300350104695 Energy: 0.39737856093162044 Energy: 0.39737840299826516 Energy: 0.45458832075894684 Energy: 0.3549105161454978 Energy: 0.35491051614862207 Energy: 0.37100817939562963 Energy: 0.42529622983231186 Energy: 0.42529629289533893 Energy: 0.3552817421075541 Energy: 0.42024932116985536 Energy: 0.4202492004807343 Energy: 0.39414740606265447 Energy: 0.36133245653424867 Energy: 0.3613325621031645 Energy: 0.35219701332189757 Energy: 0.4174788642482748 Energy: 0.41747850569453915 minimum gb energy = 0.35219701332189757 eV minimum distance = 2.43847953576894 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.37309119421404635 Energy: 0.40547770580633424 Energy: 0.40548137892564234 Energy: 0.3770207246160393 Energy: 0.36304361899739485 Energy: 0.3630441261274838 Energy: 0.35138597314872216 Energy: 0.4269978169215931 Energy: 0.42699827164663806 Energy: 0.3825717244171897 Energy: 0.37751826880559924 Energy: 0.3775180724904039 Energy: 0.405382105288536 Energy: 0.4004643062117342 Energy: 0.4004642770896498 Energy: 0.46142643901229613 Energy: 0.3516619869061576 Energy: 0.3516619880696143 Energy: 0.4514881522230458 Energy: 0.35390634809182253 Energy: 0.3539062728675036 Energy: 0.34628266252854445 Energy: 0.3990833081540947 Energy: 0.3990833608170893 Energy: 0.3686047337591655 Energy: 0.4177434814187005 Energy: 0.4177434523764209 Energy: 0.3600010110530121 Energy: 0.40549207140172006 Energy: 0.4054919170223382 minimum gb energy = 0.34628266252854445 eV minimum distance = 2.44857584702983 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.36801415362849044 Energy: 0.443983975852267 Energy: 0.44398450225350755 Energy: 0.37320676639147216 Energy: 0.3556807190934918 Energy: 0.3556803908387827 Energy: 0.35900893793450545 Energy: 0.4927128044371608 Energy: 0.49271291858910077 Energy: 0.46546887137726983 Energy: 0.3727322646722138 Energy: 0.3727322988536801 Energy: 0.37604130834286686 Energy: 0.4992209967261098 Energy: 0.4992213529401898 Energy: 0.47383118903023574 Energy: 0.37706509245205716 Energy: 0.37706515709967053 Energy: 0.3766557282440207 Energy: 0.4992209727999331 Energy: 0.4992214140259866 Energy: 0.48416685761652695 Energy: 0.3987072388452572 Energy: 0.3987072393354777 Energy: 0.35366807675775025 Energy: 0.49869110569833824 Energy: 0.49869086790902645 Energy: 0.4127511246746433 Energy: 0.35024952185985825 Energy: 0.35024952609202087 minimum gb energy = 0.35024952185985825 eV minimum distance = 2.45460225113667 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.39531015771682826 Energy: 0.45709575949219977 Energy: 0.4570957443835468 Energy: 0.44136006597792554 Energy: 0.3760496732355437 Energy: 0.37604973821465726 Energy: 0.35880712395214015 Energy: 0.4054800207795891 Energy: 0.40548001993285465 Energy: 0.3679332772290013 Energy: 0.4423565133463891 Energy: 0.4423563556786861 Energy: 0.39812032109922685 Energy: 0.37596907340246105 Energy: 0.3759691203493293 Energy: 0.36766319398400027 Energy: 0.5021937827465456 Energy: 0.5032602394355121 Energy: 0.42222595048790024 Energy: 0.3910444711990252 Energy: 0.3910453786029189 Energy: 0.3615678501102749 Energy: 0.42147257615276656 Energy: 0.42147106590332517 Energy: 0.36004619972576346 Energy: 0.43150162671127423 Energy: 0.4315016701159022 Energy: 0.42396868314901315 Energy: 0.38357795043023973 Energy: 0.3835780687798502 minimum gb energy = 0.35880712395214015 eV minimum distance = 2.43255677785141 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.4174306039858269 Energy: 0.49467200846605575 Energy: 0.49467277992154185 Energy: 0.3441320513946504 Energy: 0.447072479283209 Energy: 0.44707282566591106 Energy: 0.3325034229603944 Energy: 0.44107763882507567 Energy: 0.4410776395649308 Energy: 0.344132030921256 Energy: 0.4162000841193765 Energy: 0.41619911722418684 Energy: 0.4191065204582057 Energy: 0.3776393384033067 Energy: 0.3777006247209533 Energy: 0.46171353409103777 Energy: 0.3559686389870966 Energy: 0.35596857727162734 Energy: 0.47370708988032106 Energy: 0.35596858294633593 Energy: 0.3559685837440772 Energy: 0.41743089113432386 Energy: 0.41619902686676247 Energy: 0.41619898695845253 Energy: 0.34413204427631744 Energy: 0.4669199802875874 Energy: 0.46691978433032283 Energy: 0.336917327990954 Energy: 0.48773126616218465 Energy: 0.487731372842464 minimum gb energy = 0.3325034229603944 eV minimum distance = 2.41087789495298 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.3938215799642068 Energy: 0.44686578050409664 Energy: 0.446865784900115 Energy: 0.3597680092845539 Energy: 0.4613099590149582 Energy: 0.4613100677955008 Energy: 0.3649000389394421 Energy: 0.41172073080759025 Energy: 0.4117206231046757 Energy: 0.4043109607034872 Energy: 0.4160077063558242 Energy: 0.4160077376714147 Energy: 0.48229726557671326 Energy: 0.35782843504308004 Energy: 0.35782963391600286 Energy: 0.43475775976350983 Energy: 0.3875198318354154 Energy: 0.38751912637012675 Energy: 0.3875189582309804 Energy: 0.4135676719536881 Energy: 0.4135637821318184 Energy: 0.3472509356764809 Energy: 0.4084004512903143 Energy: 0.4084004511849034 Energy: 0.35942229211966203 Energy: 0.44336402300490324 Energy: 0.4433638542918691 Energy: 0.35161042299003264 Energy: 0.4876012145553347 Energy: 0.48760128301194944 minimum gb energy = 0.3472509356764809 eV minimum distance = 2.45215436335549 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.3892770930408161 Energy: 0.4654673451775386 Energy: 0.4654673053583356 Energy: 0.35763717058242334 Energy: 0.4092012656801984 Energy: 0.4092013674840383 Energy: 0.3998368166112841 Energy: 0.37076625684295084 Energy: 0.3707662852051036 Energy: 0.3957773624605163 Energy: 0.4139759639974711 Energy: 0.4139517534343517 Energy: 0.3601179134522799 Energy: 0.4037098980739873 Energy: 0.403709140018586 Energy: 0.3643369348535015 Energy: 0.4388560774224795 Energy: 0.43885609516437996 Energy: 0.36011796269095414 Energy: 0.38298637934770724 Energy: 0.38298650318221417 Energy: 0.5239216013332288 Energy: 0.37992758621787337 Energy: 0.37992763546847763 Energy: 0.3652960217890018 Energy: 0.3729463896916408 Energy: 0.3729461483297809 Energy: 0.3576387462399919 Energy: 0.4591738726286954 Energy: 0.4591729285178135 minimum gb energy = 0.35763717058242334 eV minimum distance = 2.43152263895087 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.402904803767135 Energy: 0.44791496397591296 Energy: 0.4479148605921346 Energy: 0.547635693871712 Energy: 0.3943136772037517 Energy: 0.3943139014744716 Energy: 0.3668293358396044 Energy: 0.4986396033804255 Energy: 0.4986395945669187 Energy: 0.45475054859002895 Energy: 0.36065256343929236 Energy: 0.36065257723796446 Energy: 0.3579481834184786 Energy: 0.46432434163460007 Energy: 0.4643230256768476 Energy: 0.4470388838275116 Energy: 0.37902405150669943 Energy: 0.37902410780433854 Energy: 0.36496938434666537 Energy: 0.43672114520321376 Energy: 0.43672113804520785 Energy: 0.456184208133382 Energy: 0.3988444019011973 Energy: 0.3988442672947047 Energy: 0.36497206104646673 Energy: 0.46589725847568975 Energy: 0.46589700609554024 Energy: 0.4487918225025096 Energy: 0.401006847417408 Energy: 0.4010065587254196 minimum gb energy = 0.3579481834184786 eV minimum distance = 2.37919775574822 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.38682123685300546 Energy: 0.46284850152169094 Energy: 0.4628484969755934 Energy: 0.3614496586370118 Energy: 0.4385651516075227 Energy: 0.43856511901230505 Energy: 0.3643409447303866 Energy: 0.3972614830986295 Energy: 0.39726178287912506 Energy: 0.45238557786341105 Energy: 0.3809717637323931 Energy: 0.3809719266851738 Energy: 0.3586529225956586 Energy: 0.3880585646906155 Energy: 0.3880588348397414 Energy: 0.365061082837989 Energy: 0.4659776512587343 Energy: 0.4659764834082652 Energy: 0.36209079938152905 Energy: 0.46113129088498783 Energy: 0.46113541637954747 Energy: 0.36247412689747 Energy: 0.43214897325483836 Energy: 0.43214738407868436 Energy: 0.49096034968308294 Energy: 0.38089428914697676 Energy: 0.3808942873278322 Energy: 0.4593335217211734 Energy: 0.39708471678166296 Energy: 0.397084716781075 minimum gb energy = 0.3586529225956586 eV minimum distance = 2.43064876281147 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.340800580175319 Energy: 0.402223213626465 Energy: 0.4022232016641922 Energy: 0.37020372387283695 Energy: 0.4207541069846026 Energy: 0.42075409681707165 Energy: 0.49024164692456274 Energy: 0.3561487372875331 Energy: 0.35614857644271114 Energy: 0.34975669453765595 Energy: 0.356148549393977 Energy: 0.3561485492718929 Energy: 0.349756694568871 Energy: 0.3884431804652917 Energy: 0.3884431676985527 Energy: 0.4143894395374021 Energy: 0.3497566941388312 Energy: 0.3497566942012305 Energy: 0.34975669417683214 Energy: 0.3785581783838012 Energy: 0.3785581747183155 Energy: 0.34080057854470286 Energy: 0.4083861413333515 Energy: 0.4083861346847929 Energy: 0.5708625917391401 Energy: 0.35614857517430676 Energy: 0.35614854928410744 Energy: 0.3408005779586804 Energy: 0.38844316809605106 Energy: 0.3884431664776495 minimum gb energy = 0.3408005779586804 eV minimum distance = 2.48735675672603 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.4049506814619538 Energy: 0.41540389267097955 Energy: 0.4154038755421794 Energy: 0.3592130398535542 Energy: 0.4515318034203166 Energy: 0.45153179550104955 Energy: 0.3654458535181655 Energy: 0.4398721426503162 Energy: 0.4398760388106547 Energy: 0.35511916918529307 Energy: 0.4386607740550203 Energy: 0.4386612219637899 Energy: 0.3561837328138014 Energy: 0.4068189481024453 Energy: 0.4068197931389061 Energy: 0.35375648779384183 Energy: 0.43186559303743954 Energy: 0.43186562948804175 Energy: 0.3562223514563253 Energy: 0.38014509427375787 Energy: 0.3801450346967574 Energy: 0.4705359948338939 Energy: 0.38038965002799624 Energy: 0.3803902703694918 Energy: 0.5412290203085462 Energy: 0.40020478678379645 Energy: 0.40020510703552725 Energy: 0.5044293372068529 Energy: 0.3781328191378423 Energy: 0.37813318787529493 minimum gb energy = 0.35375648779384183 eV minimum distance = 2.3793562138681 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.38824489094829695 Energy: 0.41981871521597924 Energy: 0.41981871512822294 Energy: 0.36921190164879725 Energy: 0.3779567586128472 Energy: 0.377956641715148 Energy: 0.3724710078490376 Energy: 0.4007405032014175 Energy: 0.4007403617394677 Energy: 0.35055477623496917 Energy: 0.4306510743660371 Energy: 0.4306510675645014 Energy: 0.4989993981905356 Energy: 0.3551900683544309 Energy: 0.3551898308862216 Energy: 0.37080028164016676 Energy: 0.41230268501104556 Energy: 0.4117892327915675 Energy: 0.35581278567034375 Energy: 0.4221460943331346 Energy: 0.4221493494749476 Energy: 0.4504285361073664 Energy: 0.3573998130298267 Energy: 0.35739951975098827 Energy: 0.35765274464343144 Energy: 0.4767751561920709 Energy: 0.47677244843409344 Energy: 0.34843163914266767 Energy: 0.4120321428640665 Energy: 0.4120321420586615 minimum gb energy = 0.34843163914266767 eV minimum distance = 2.47027963615241 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.36954248563774855 Energy: 0.4103203415046973 Energy: 0.4103203682977971 Energy: 0.3479263899411953 Energy: 0.3896689254279004 Energy: 0.3896687545427686 Energy: 0.3479263892014674 Energy: 0.36093851323148884 Energy: 0.36093850890681245 Energy: 0.3521181117058943 Energy: 0.43596755787789193 Energy: 0.43596766947901383 Energy: 0.3921711012216236 Energy: 0.3943977226187539 Energy: 0.39439763500871733 Energy: 0.3490092122792814 Energy: 0.3609385033363194 Energy: 0.36093849393811134 Energy: 0.355219212675683 Energy: 0.4568790573911416 Energy: 0.4568782067340381 Energy: 0.42666565272050444 Energy: 0.3930639945975454 Energy: 0.39306326318171253 Energy: 0.36199947405167826 Energy: 0.3536873412102878 Energy: 0.3536875379969621 Energy: 0.35521909993966877 Energy: 0.4456912401291667 Energy: 0.4456913881547184 minimum gb energy = 0.3479263892014674 eV minimum distance = 2.44414413659901 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.4013069594975317 Energy: 0.4143074926863298 Energy: 0.4143069978350566 Energy: 0.3439378547376591 Energy: 0.354932338882541 Energy: 0.3549320352454975 Energy: 0.34457131300714516 Energy: 0.425152868892908 Energy: 0.4251528922724351 Energy: 0.34657476349752425 Energy: 0.45782258843778223 Energy: 0.4578225864761006 Energy: 0.3537324955067708 Energy: 0.37265953729061635 Energy: 0.37265870552563257 Energy: 0.39699662672464026 Energy: 0.3821655102505441 Energy: 0.3821651097632254 Energy: 0.35212354268856155 Energy: 0.43347733301311453 Energy: 0.4334773295997054 Energy: 0.42808083031216215 Energy: 0.34990810629765967 Energy: 0.34990819824113073 Energy: 0.35315127603418367 Energy: 0.42858687591618766 Energy: 0.42858723006083416 Energy: 0.3451191509119449 Energy: 0.41726833600062424 Energy: 0.41726010701353744 minimum gb energy = 0.3439378547376591 eV minimum distance = 2.42360000467152 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.39516223207899887 Energy: 0.4163092799154047 Energy: 0.41630912537045156 Energy: 0.3539149098123275 Energy: 0.3909620935660464 Energy: 0.3909623166805291 Energy: 0.38918223887875325 Energy: 0.39416195195760756 Energy: 0.39416195229864076 Energy: 0.3548320066948928 Energy: 0.4096732160356333 Energy: 0.4096753053703469 Energy: 0.4970069476187268 Energy: 0.36762903540988356 Energy: 0.3676290095913753 Energy: 0.3510821721116119 Energy: 0.42148703137023397 Energy: 0.42149293381386843 Energy: 0.3530380239550873 Energy: 0.41417655807401643 Energy: 0.4141761891779856 Energy: 0.4959620265266511 Energy: 0.37142924068273486 Energy: 0.371428735768606 Energy: 0.3535713255738362 Energy: 0.4237021973170212 Energy: 0.4237033730413279 Energy: 0.38918224841921656 Energy: 0.3963832209080213 Energy: 0.3963832268715104 minimum gb energy = 0.3510821721116119 eV minimum distance = 2.43466906723788 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.3760282454165365 Energy: 0.442237139038177 Energy: 0.4422371385021086 Energy: 0.3448081484546551 Energy: 0.5109062542211993 Energy: 0.5109053635462836 Energy: 0.33596355961132957 Energy: 0.4219449122829424 Energy: 0.42194491208436063 Energy: 0.3409629704792847 Energy: 0.40795235319412954 Energy: 0.40795275633914685 Energy: 0.3388244362850457 Energy: 0.4120672490724505 Energy: 0.4120674365685752 Energy: 0.34427588398012116 Energy: 0.40266319932894273 Energy: 0.40266318008308266 Energy: 0.36248057556676405 Energy: 0.40730013697479955 Energy: 0.40730013383072183 Energy: 0.37602822782094253 Energy: 0.4221695779024688 Energy: 0.4221695097329183 Energy: 0.3624805780113794 Energy: 0.4410104548988497 Energy: 0.44101043684641533 Energy: 0.33596335933448457 Energy: 0.3749198919036099 Energy: 0.3749199423993393 minimum gb energy = 0.33596335933448457 eV minimum distance = 2.49180766486639 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.38131275092068856 Energy: 0.4036025783050806 Energy: 0.40360258390510184 Energy: 0.3367347007995999 Energy: 0.40794865039026684 Energy: 0.40794870085859153 Energy: 0.48645207030862725 Energy: 0.3579911036588905 Energy: 0.35799111865225874 Energy: 0.3346413563871913 Energy: 0.3812798884223295 Energy: 0.3812796685284553 Energy: 0.3403109719590455 Energy: 0.40254771356786134 Energy: 0.4025477135741268 Energy: 0.34471823386037925 Energy: 0.3981875626234715 Energy: 0.39818756806631456 Energy: 0.340612768076348 Energy: 0.37514479463609346 Energy: 0.3751452416455793 Energy: 0.5189818995053765 Energy: 0.3604295093317252 Energy: 0.36042956366557716 Energy: 0.3367330719033542 Energy: 0.4001327206959592 Energy: 0.40013252579093267 Energy: 0.3362991719129187 Energy: 0.4390568685510287 Energy: 0.4390571061589604 minimum gb energy = 0.3346413563871913 eV minimum distance = 2.46183176038293 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.383802416258292 Energy: 0.39458690012400344 Energy: 0.39479384170289333 Energy: 0.32539928512388133 Energy: 0.3777376472085723 Energy: 0.37773952258265103 Energy: 0.49347219942019105 Energy: 0.37597569977792594 Energy: 0.37597557797331377 Energy: 0.3302102449956092 Energy: 0.3892770783464044 Energy: 0.38927640651026446 Energy: 0.3302130732604304 Energy: 0.4461965654080585 Energy: 0.4461965655371822 Energy: 0.32712793816896196 Energy: 0.39960676635715936 Energy: 0.3996074950798767 Energy: 0.4737280087476329 Energy: 0.3255196890294292 Energy: 0.32551968896852507 Energy: 0.3833028519508986 Energy: 0.38928000566629073 Energy: 0.3892792071565285 Energy: 0.3247838362758024 Energy: 0.4554541443755211 Energy: 0.4554539617462253 Energy: 0.32712928819967085 Energy: 0.41471743133065 Energy: 0.4147185252274307 minimum gb energy = 0.3247838362758024 eV minimum distance = 2.44627150316645 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.3991328648103457 Energy: 0.41922427154873976 Energy: 0.4192236207529779 Energy: 0.49812115564071596 Energy: 0.36466236615809844 Energy: 0.3646625544064641 Energy: 0.33257432167537965 Energy: 0.42724934476807896 Energy: 0.42724934284950344 Energy: 0.5023419393195077 Energy: 0.3295514912519484 Energy: 0.32954116940204226 Energy: 0.3323799274424658 Energy: 0.4647829436479555 Energy: 0.4647829939040999 Energy: 0.5048331060976932 Energy: 0.3459760908906034 Energy: 0.34597595740404125 Energy: 0.3314509963216281 Energy: 0.44730990452770875 Energy: 0.44730994517403555 Energy: 0.5257748036725152 Energy: 0.3513172022529125 Energy: 0.3513167406925379 Energy: 0.33145108007508933 Energy: 0.39452929090294675 Energy: 0.394529309496349 Energy: 0.41853418372185797 Energy: 0.3442756493275775 Energy: 0.3442753945438589 minimum gb energy = 0.32954116940204226 eV minimum distance = 2.44230832432727 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.35787290453188225 Energy: 0.39501195683593066 Energy: 0.3950119629584096 Energy: 0.3399113032601994 Energy: 0.37300994307378005 Energy: 0.37300989200864726 Energy: 0.49852752386857474 Energy: 0.32151069345043903 Energy: 0.3215106292695593 Energy: 0.317344497742614 Energy: 0.3850453612161506 Energy: 0.3850448313197185 Energy: 0.31734449818641486 Energy: 0.4395485981561055 Energy: 0.43954860766180176 Energy: 0.3140989783316581 Energy: 0.37527100321076867 Energy: 0.3752709456313227 Energy: 0.4619020713399076 Energy: 0.3368206496134023 Energy: 0.3368206052451607 Energy: 0.3578722968315929 Energy: 0.42348416788667664 Energy: 0.4234855192725522 Energy: 0.33991128616695326 Energy: 0.3715384585519548 Energy: 0.37153829450795933 Energy: 0.3366979961061086 Energy: 0.36368525940785285 Energy: 0.36368529925471677 minimum gb energy = 0.3140989783316581 eV minimum distance = 2.44601136549383 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.3617924166252099 Energy: 0.38942335443084836 Energy: 0.3894232974066728 Energy: 0.3046055923868808 Energy: 0.41040618614987057 Energy: 0.41040615320332663 Energy: 0.30760976016248837 Energy: 0.3492298463424805 Energy: 0.3492284535143655 Energy: 0.5281218511948926 Energy: 0.33222539775882787 Energy: 0.33222856057233824 Energy: 0.3471286183949389 Energy: 0.3788879600295793 Energy: 0.3788894741100355 Energy: 0.3112072626784822 Energy: 0.3815073896573761 Energy: 0.3815073807120612 Energy: 0.3108987073760651 Energy: 0.4065404883587401 Energy: 0.40645818709664616 Energy: 0.3912369313910643 Energy: 0.385540321188093 Energy: 0.3855404536849901 Energy: 0.529794540773327 Energy: 0.3064972037451187 Energy: 0.3064971903534694 Energy: 0.30760966459323164 Energy: 0.3645945447045912 Energy: 0.3645942087030332 minimum gb energy = 0.3046055923868808 eV minimum distance = 2.45662601210156 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.3705308404326289 Energy: 0.3857630025424433 Energy: 0.38576296698438617 Energy: 0.454450253844343 Energy: 0.2985816789673962 Energy: 0.2985817478377079 Energy: 0.29656020083264845 Energy: 0.43202865999857853 Energy: 0.4320287629865798 Energy: 0.29599991355371724 Energy: 0.3165835166621383 Energy: 0.3165835166771751 Energy: 0.2965602001456281 Energy: 0.37499037791778816 Energy: 0.37499025751932985 Energy: 0.29698804545206287 Energy: 0.32961103064489267 Energy: 0.32961070173910206 Energy: 0.2951408300780289 Energy: 0.3548104138311333 Energy: 0.3548104001913139 Energy: 0.36990186646402834 Energy: 0.37474743663805976 Energy: 0.37474742447810777 Energy: 0.44492461864391797 Energy: 0.3256045532299841 Energy: 0.32560365614082526 Energy: 0.2965602050228913 Energy: 0.4770546638871795 Energy: 0.4770546634381557 minimum gb energy = 0.2951408300780289 eV minimum distance = 2.44810046087614 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.3654981803140579 Energy: 0.37549872939738893 Energy: 0.3754986888937704 Energy: 0.3181516531183989 Energy: 0.32935716295135903 Energy: 0.3293571011982967 Energy: 0.289099169655388 Energy: 0.3507013318690354 Energy: 0.3507012959526476 Energy: 0.2939281130596892 Energy: 0.39248845559681456 Energy: 0.3920400468603644 Energy: 0.4990622299676808 Energy: 0.3069541103938808 Energy: 0.3069643681265999 Energy: 0.29101309339868076 Energy: 0.43740920880585754 Energy: 0.43740967330663544 Energy: 0.28607732809760145 Energy: 0.33911863411546245 Energy: 0.3391186341318413 Energy: 0.41006427898815534 Energy: 0.3634101040295848 Energy: 0.36340274951799323 Energy: 0.2901834777234782 Energy: 0.4617457344697773 Energy: 0.4617457726830719 Energy: 0.4667226624127791 Energy: 0.35082848197990396 Energy: 0.3508285400054038 minimum gb energy = 0.28607732809760145 eV minimum distance = 2.39783243281526 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.3476859844432443 Energy: 0.3565721481676168 Energy: 0.3565725956263988 Energy: 0.28333801416152193 Energy: 0.3538272587248092 Energy: 0.35382769114430646 Energy: 0.27878454723200863 Energy: 0.32155441311980054 Energy: 0.3215550406587811 Energy: 0.4697506478299842 Energy: 0.3175546477181103 Energy: 0.31755464770802583 Energy: 0.27969391252574227 Energy: 0.31510584532715136 Energy: 0.3151059936899375 Energy: 0.2796939108492636 Energy: 0.3801021939963979 Energy: 0.3801024347102617 Energy: 0.2833379974876886 Energy: 0.36701069087891536 Energy: 0.3670106863174652 Energy: 0.34733359127552066 Energy: 0.4102435786425957 Energy: 0.4102435736853432 Energy: 0.33966292860935077 Energy: 0.32133308498449237 Energy: 0.3213330925354737 Energy: 0.5098117193808822 Energy: 0.27880732705307626 Energy: 0.2788073265283956 minimum gb energy = 0.27878454723200863 eV minimum distance = 2.51234107632442 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.38215894339731377 Energy: 0.38068356775452483 Energy: 0.3806834363710546 Energy: 0.27380162354264764 Energy: 0.4809672646873266 Energy: 0.48096697739717914 Energy: 0.27433716067521086 Energy: 0.3643485217420612 Energy: 0.3643486150026991 Energy: 0.3043570086221302 Energy: 0.34579454252624875 Energy: 0.3457945263368183 Energy: 0.3043570066335755 Energy: 0.34720339750945056 Energy: 0.34720336562578974 Energy: 0.27305377210375914 Energy: 0.3301458512528771 Energy: 0.3301489000379237 Energy: 0.272006879950341 Energy: 0.31947559053559277 Energy: 0.31947793955422643 Energy: 0.48057046986423524 Energy: 0.33082587710188954 Energy: 0.33082995123643055 Energy: 0.5054701310348632 Energy: 0.3212450328748662 Energy: 0.3212444438324696 Energy: 0.4582802664979568 Energy: 0.35115427668171284 Energy: 0.35115689364196667 minimum gb energy = 0.272006879950341 eV minimum distance = 2.39268023876806 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.33142753255218843 Energy: 0.3826730284296859 Energy: 0.38267287044899617 Energy: 0.2694801317771877 Energy: 0.3115950753006891 Energy: 0.3115950759950122 Energy: 0.25295039111387335 Energy: 0.32521785169153206 Energy: 0.3252178534427712 Energy: 0.2531010930736354 Energy: 0.29882762508796845 Energy: 0.29882762442584754 Energy: 0.45531921552066373 Energy: 0.3083228749595261 Energy: 0.3083142934467152 Energy: 0.3721919218494743 Energy: 0.29136898121710336 Energy: 0.29136899541979017 Energy: 0.3062703296386206 Energy: 0.3486470667706898 Energy: 0.348647611401703 Energy: 0.33106145084000566 Energy: 0.3671350618475745 Energy: 0.36713524047589624 Energy: 0.2694804097262464 Energy: 0.38026760653936836 Energy: 0.38026760491373635 Energy: 0.25944517865064043 Energy: 0.40973634204467685 Energy: 0.4097363492971652 minimum gb energy = 0.25295039111387335 eV minimum distance = 2.56139074170262 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.3424932297448962 Energy: 0.3561863819426871 Energy: 0.35618638214578074 Energy: 0.47583895858620956 Energy: 0.26439048077197214 Energy: 0.26439046008301575 Energy: 0.24431032654956925 Energy: 0.33745850608047845 Energy: 0.33745845110568873 Energy: 0.24431031533259176 Energy: 0.3164265043600907 Energy: 0.3164265058946809 Energy: 0.4733840054901101 Energy: 0.2958591852999511 Energy: 0.29585917352201385 Energy: 0.24851835311430426 Energy: 0.43724694338598896 Energy: 0.43724684667824665 Energy: 0.49244964717260725 Energy: 0.2817467237200729 Energy: 0.28174672380740595 Energy: 0.369890866552313 Energy: 0.41557490815680415 Energy: 0.4155748826102053 Energy: 0.2922738561061223 Energy: 0.3495291105165062 Energy: 0.3495284658659894 Energy: 0.4725524040165885 Energy: 0.27910802823765973 Energy: 0.27910790444060085 minimum gb energy = 0.24431031533259176 eV minimum distance = 2.43905580294083 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.36961180519145387 Energy: 0.38086048444646875 Energy: 0.3808604851954037 Energy: 0.31093234168004036 Energy: 0.3020265998145904 Energy: 0.30202639521918945 Energy: 0.24160413795662578 Energy: 0.26375156036086184 Energy: 0.2637513597511835 Energy: 0.23704202498045074 Energy: 0.3892153565445757 Energy: 0.38921494804745604 Energy: 0.23105371055097118 Energy: 0.3344501069875175 Energy: 0.3344501111302684 Energy: 0.4416820745341416 Energy: 0.26897810923042414 Energy: 0.2689776310469094 Energy: 0.2562475503867964 Energy: 0.3680563051772706 Energy: 0.3680563131388623 Energy: 0.3686813051984318 Energy: 0.3532829857318068 Energy: 0.3532829876026892 Energy: 0.49231942218601255 Energy: 0.25035595837920205 Energy: 0.2503559560411363 Energy: 0.23888854787599545 Energy: 0.33433785032464025 Energy: 0.334336786646477 minimum gb energy = 0.23105371055097118 eV minimum distance = 2.45795678839006 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.35090869612609366 Energy: 0.3529359532470659 Energy: 0.35293955713185626 Energy: 0.27917744876426887 Energy: 0.4375695345812895 Energy: 0.4375694909956985 Energy: 0.22636879332941806 Energy: 0.3876728008506883 Energy: 0.38767744103960056 Energy: 0.2250179203101568 Energy: 0.3769577609169972 Energy: 0.37691491490999834 Energy: 0.2250179058659522 Energy: 0.30040242215588625 Energy: 0.30037020426128225 Energy: 0.22636883886147277 Energy: 0.36164899449763976 Energy: 0.3616472571097797 Energy: 0.2791777156881864 Energy: 0.2922593710654458 Energy: 0.2922593571694181 Energy: 0.375065926275744 Energy: 0.29014214358526264 Energy: 0.30112684353688485 Energy: 0.2791774574378477 Energy: 0.3191245417273094 Energy: 0.3191245831775867 Energy: 0.23015189156115873 Energy: 0.2889511362485267 Energy: 0.28895099481940395 minimum gb energy = 0.2250179058659522 eV minimum distance = 2.42626417558969 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3196780229557838 Energy: 0.3170221875589963 Energy: 0.31702221247825746 Energy: 0.2551885687541624 Energy: 0.29289900876752273 Energy: 0.29289833352905675 Energy: 0.4552313106482765 Energy: 0.22769666394249222 Energy: 0.2276967033056397 Energy: 0.212132086020816 Energy: 0.2891168721344104 Energy: 0.2891167733058695 Energy: 0.2194496323536444 Energy: 0.3763039095923096 Energy: 0.3763036236725415 Energy: 0.214965253116799 Energy: 0.2903137266527181 Energy: 0.290313840492099 Energy: 0.4861838831518493 Energy: 0.2308764257530925 Energy: 0.2308765079575703 Energy: 0.3625431837991085 Energy: 0.3392028522968493 Energy: 0.3388420571024104 Energy: 0.25527188870136036 Energy: 0.336789384355115 Energy: 0.3367895097785825 Energy: 0.21463976765565893 Energy: 0.329642217853858 Energy: 0.3296422182213244 minimum gb energy = 0.212132086020816 eV minimum distance = 2.45917070005116 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.3490700989236615 Energy: 0.33270852373487486 Energy: 0.33270877628386747 Energy: 0.4878785159180531 Energy: 0.22757573933389522 Energy: 0.22757739619827483 Energy: 0.20986669103078465 Energy: 0.36970605600131995 Energy: 0.3697062660292033 Energy: 0.4181280372470214 Energy: 0.2671700754227967 Energy: 0.26717017094700296 Energy: 0.20986680581341477 Energy: 0.3552264176263331 Energy: 0.3552265138309496 Energy: 0.20562479746766574 Energy: 0.2611563172880226 Energy: 0.2611584763715937 Energy: 0.2420450063393374 Energy: 0.3383943088625191 Energy: 0.3383943081141182 Energy: 0.3461537676894257 Energy: 0.32575449230037656 Energy: 0.3257490261492266 Energy: 0.2888294598541578 Energy: 0.33912097294909793 Energy: 0.33912099697657855 Energy: 0.20778757036381526 Energy: 0.3285256875349839 Energy: 0.3285257140310006 minimum gb energy = 0.20562479746766574 eV minimum distance = 2.45940515049376 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.334341915269695 Energy: 0.3794875154269249 Energy: 0.37948766535528483 Energy: 0.2355289537808898 Energy: 0.30940751543205697 Energy: 0.30940751527563104 Energy: 0.3476579638118895 Energy: 0.28917638376028465 Energy: 0.28917637325823253 Energy: 0.42107846907226076 Energy: 0.2967140409554042 Energy: 0.2967139626503269 Energy: 0.19817528228408454 Energy: 0.2952190506281052 Energy: 0.2952190573129735 Energy: 0.20175087060590605 Energy: 0.3864405034292589 Energy: 0.3864404885615776 Energy: 0.23552892961981334 Energy: 0.32171384129870284 Energy: 0.3217134826234594 Energy: 0.3675389517134001 Energy: 0.29369521962459705 Energy: 0.29369519596991406 Energy: 0.4796378211295733 Energy: 0.21761069449416057 Energy: 0.21761165081261016 Energy: 0.2249746369057785 Energy: 0.27124111926965644 Energy: 0.27124134859649185 minimum gb energy = 0.19817528228408454 eV minimum distance = 2.47267597110987 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3214694888494241 Energy: 0.32232596948318676 Energy: 0.3223259165456683 Energy: 0.22970935960403105 Energy: 0.34861558143021304 Energy: 0.34861563814139457 Energy: 0.19461917405328738 Energy: 0.3246538653210945 Energy: 0.32465386489914394 Energy: 0.19108156413634578 Energy: 0.2900601440283531 Energy: 0.29007519059318787 Energy: 0.40860520472485157 Energy: 0.2790189524034098 Energy: 0.27901662073636496 Energy: 0.44345324257919666 Energy: 0.21077719954251542 Energy: 0.21077727890950762 Energy: 0.3813961872557304 Energy: 0.23910824842873085 Energy: 0.23910822578241633 Energy: 0.3523730318304888 Energy: 0.32747430783302256 Energy: 0.3274743116471419 Energy: 0.26556716174466694 Energy: 0.3327155358534316 Energy: 0.3327155306686125 Energy: 0.19778081736333944 Energy: 0.3602682897110913 Energy: 0.3602668659253372 minimum gb energy = 0.19108156413634578 eV minimum distance = 2.49530762642268 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011689373397318811 Energy: 0.011689373399048878 Energy: 0.011689373399383095 Energy: 0.01168937339765303 Energy: 0.1656128557718844 Energy: 0.1656128557722186 Energy: 0.2730879194197599 Energy: 0.16561285576875845 Energy: 0.16561285576911236 Energy: 0.011689373405949485 Energy: 0.16561285577463675 Energy: 0.16561285577290671 Energy: 0.01168937339765303 Energy: 0.16561285576946622 Energy: 0.16561285576875845 Energy: 0.2730879194080033 Energy: 0.16561285576875845 Energy: 0.16561285576911236 Energy: 0.011689373399383095 Energy: 0.16561285577084237 Energy: 0.16561285576875845 Energy: 0.011689373398341123 Energy: 0.01168937339765303 Energy: 0.01168937339765303 Energy: 0.011689373397318811 Energy: 0.16561285576946622 Energy: 0.1656128557718844 Energy: 0.2730879193976229 Energy: 0.16561285576911236 Energy: 0.16561285576911236 minimum gb energy = 0.011689373397318811 eV minimum distance = 2.82586747622851 Angstroms sigma value = 1