Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645777106285
cohesive_energy=4.290547129999928
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23717750556396e-19, 6.35873464678554e-19, 6.465103153516799e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.014918055975530182
Energy: 0.01527155241185583
Energy: 0.0962403721861011
Energy: 0.09604289937881799
Energy: 0.11029211798255553
Energy: 0.10908053522909482
Energy: 0.10882693545028166
Energy: 0.09525229224166222
Energy: 0.09521338046565879
Energy: 0.017623812445869646
Energy: 0.01514044787967973
Energy: 0.09468339159637583
Energy: 0.10946964894915802
Energy: 0.015653699903962228
Energy: 0.016310810557681476
Energy: 0.09515214705370198
Energy: 0.09481240619862845
Energy: 0.10881319507107864
Energy: 0.0946578459835503
Energy: 0.10965280346045617
Energy: 0.09537443980236218
Energy: 0.09488127945882563
Energy: 0.10863575086980014
Energy: 0.015237889198482315
Energy: 0.09608546259477097
Energy: 0.10871205340394897
Energy: 0.015384165999988552
Energy: 0.01528696826743716
Energy: 0.10892710111701154
Energy: 0.09621355123419022
Energy: 0.016573078734103984
Energy: 0.10902821382031702
Energy: 0.09483830860969426
Energy: 0.09532861447699868
Energy: 0.09501414317515094
Energy: 0.11020915264593688
Energy: 0.016075627431094912
Energy: 0.015509954147158446
Energy: 0.09506585337914986
Energy: 0.015181088981258806
Energy: 0.016814728180369796
Energy: 0.09676563756403601
Energy: 0.09509542169010186
Energy: 0.015808110726124685
Energy: 0.015161532507532514
Energy: 0.09476280031423114
Energy: 0.09528466979781267
Energy: 0.0963281886392941
Energy: 0.0947560199610714
Energy: 0.015108873070540743
Energy: 0.09498784641793927
Energy: 0.09842183589466327
Energy: 0.11016396120396828
Energy: 0.01536172116109226
Energy: 0.015147087307727826
Energy: 0.09556943435863897
Energy: 0.015505450595217874
Energy: 0.01691992505355405
Energy: 0.10963827568455624
Energy: 0.095135918272075
Energy: 0.01513862531844704
Energy: 0.10894337907093064
Energy: 0.09458116572364257
Energy: 0.10877560261263411
Energy: 0.0955071082640865
Energy: 0.10869601304412224
Energy: 0.01519666537104941
Energy: 0.016668008040705225
Energy: 0.10870387427939979
Energy: 0.09512574879815067

minimum gb energy = 0.014918055975530182 eV
minimum distance =  2.47873520402866 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.2794526717434556
Energy: 1.2129357664794869
Energy: 1.2432489966203817
Energy: 1.2690831673715972
Energy: 1.259055435144075
Energy: 1.254810625348173
Energy: 1.281905029964234
Energy: 1.2218677422127027
Energy: 1.2857860265648038
Energy: 1.2570010262605238
Energy: 1.2536549009418427
Energy: 1.2801597558145044
Energy: 1.2237668605091754
Energy: 1.2779987218290076
Energy: 1.213724311893536
Energy: 1.2602125749694701
Energy: 1.2701944209666225
Energy: 1.259688178142554
Energy: 1.2989043551656518
Energy: 1.2974299622776015
Energy: 1.2242602908508813
Energy: 1.3007630212472694
Energy: 1.2699578051661993
Energy: 1.2535042658981927
Energy: 1.3287964694925711
Energy: 1.2250107065070002
Energy: 1.2478801032128737
Energy: 1.300797980159683
Energy: 1.3755924485607782
Energy: 1.4280123387264019
Energy: 1.244965396492281
Energy: 1.278450777489744
Energy: 1.2423724093644508
Energy: 1.2122484675302057
Energy: 1.2515749229897728
Energy: 1.2943746876301094
Energy: 1.3365209783399579
Energy: 1.2492620351905264
Energy: 1.3293482089951443
Energy: 1.4266793564219409
Energy: 1.2565109402276766
Energy: 1.357960170751608
Energy: 1.2763328937027152
Energy: 1.2143286922074847
Energy: 1.2888723433664315
Energy: 1.2719909302625179
Energy: 1.2548100823794046
Energy: 1.2424196315649183
Energy: 1.2461003675045068
Energy: 1.258082197763336
Energy: 1.2451907887418585
Energy: 1.2121291369341411
Energy: 1.216285950817289
Energy: 1.3291521864314195
Energy: 1.3822414424157614
Energy: 1.2543285482302569
Energy: 1.2162751559268634
Energy: 1.222626058885181
Energy: 1.2473247681257262
Energy: 1.2559791929660382
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Energy: 1.2133308609283173
Energy: 1.2501133861436844
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Energy: 1.2130686618820734
Energy: 1.2170168104791914
Energy: 1.2741641463031337
Energy: 1.2889537092303045
Energy: 1.2132577768528514
Energy: 1.2508800617563551
Energy: 1.2267368788486743
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Energy: 1.2111221575509978
Energy: 1.2122586998143225
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Energy: 1.205088459512022
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Energy: 1.2027603330651395
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Energy: 1.2122382975369013
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Energy: 1.2622400604889623
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Energy: 1.2434659772896024
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Energy: 1.2976795888872215
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Energy: 1.3011893918831579
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Energy: 1.2141337327481783
Energy: 1.325168621835665
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Energy: 1.231047827672761
Energy: 1.2698861578747778
Energy: 1.3115841384403464
Energy: 1.2447037214642707
Energy: 1.2303328776549947
Energy: 1.2673794761105532
Energy: 1.2848388477661472
Energy: 1.2486853320776334
Energy: 1.2581881633845464
Energy: 1.2223424417532598
Energy: 1.315417695600763
Energy: 1.312737660747778
Energy: 1.3012184284835893
Energy: 1.240121346529948
Energy: 1.2327711512810793
Energy: 1.2943503819264082
Energy: 1.2648930123873554
Energy: 1.298394507161164
Energy: 1.257437270818614
Energy: 1.294537996704951
Energy: 1.3114156943989193
Energy: 1.2686695831413433
Energy: 1.2462413846058082
Energy: 1.3438220068665647
Energy: 1.3068879432058969
Energy: 1.2787255175170196
Energy: 1.2146717948527026
Energy: 1.2250403988138174
Energy: 1.2545618128911633
Energy: 1.3012122060261777
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Energy: 1.2619611092607446
Energy: 1.2406034213095427
Energy: 1.2835882126725937
Energy: 1.270134131217076
Energy: 1.217968938242692
Energy: 1.2404679870248723
Energy: 1.2478930886368294
Energy: 1.3292896971251167
Energy: 1.2833968343130413
Energy: 1.2165923276669697
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Energy: 1.2153502104092875
Energy: 1.265855555458169
Energy: 1.2801636997796926
Energy: 1.2576683239463908
Energy: 1.285476525942375
Energy: 1.2590940143223706
Energy: 1.2934396984014143
Energy: 1.2690246901742328
Energy: 1.2453159686937614
Energy: 1.2822815862254882
Energy: 1.3127566596058244
Energy: 1.42462088124685
Energy: 1.447507162029213
Energy: 1.2146347942744578
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Energy: 1.2830251881698194
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Energy: 1.217105645704197
Energy: 1.2179014866686102
Energy: 1.2846975587517822
Energy: 1.25424306581768
Energy: 1.2830762020081787
Energy: 1.25096308195871
Energy: 1.34295758690178
Energy: 1.2148106612921772
Energy: 1.2200871376642923
Energy: 1.3304201592878477
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Energy: 1.262997788759883
Energy: 1.2160700873155983
Energy: 1.2354707105237768
Energy: 1.2137921538851837
Energy: 1.21329856776274
Energy: 1.2795995477338784
Energy: 1.2581447488825497
Energy: 1.20148019798339
Energy: 1.2965162899138598
Energy: 1.21419035756726
Energy: 1.2132831737461691
Energy: 1.2650973316776604
Energy: 1.2161841909752538
Energy: 1.2531777099925399
Energy: 1.236869371696859
Energy: 1.237720372686208
Energy: 1.2476094597419993
Energy: 1.2511600770331428
Energy: 1.3034581913762804
Energy: 1.2569054425491266
Energy: 1.2162831481251937
Energy: 1.2576103204130435
Energy: 1.2568308774581243
Energy: 1.2056466064088467
Energy: 1.2162118091736123
Energy: 1.202858562409242
Energy: 1.2475359872720244
Energy: 1.2160394449319043
Energy: 1.21521930304759
Energy: 1.2145147912103686
Energy: 1.2765755893369424
Energy: 1.2143412924743149
Energy: 1.2546710371084255
Energy: 1.2104440700371442
Energy: 1.212935480076627
Energy: 1.263052631035114
Energy: 1.2272955103918046
Energy: 1.2157262009209764
Energy: 1.252070012655148
Energy: 1.2422744576061182
Energy: 1.246643436243854
Energy: 1.239997891855769
Energy: 1.2337198073384155
Energy: 1.3337306614176285
Energy: 1.2378427486702366
Energy: 1.2797884296272732
Energy: 1.3260033142016237
Energy: 1.2613672588563825
Energy: 1.253158146756067
Energy: 1.2419516204944492
Energy: 1.2450264668728537
Energy: 1.2384568428466516
Energy: 1.2138378186137468
Energy: 1.254219715216721
Energy: 1.2537997091029323
Energy: 1.2632563392644822
Energy: 1.2945143201289455
Energy: 1.2534865244105815
Energy: 1.235513669625337
Energy: 1.2077896043236196
Energy: 1.2977835646232516
Energy: 1.2773754778114825
Energy: 1.2698802656681785
Energy: 1.2543992025849098
Energy: 1.2531408089147096
Energy: 1.2155683562411574
Energy: 1.247041203878189
Energy: 1.299654860084405
Energy: 1.238675017964453
Energy: 1.2434047941889044
Energy: 1.405217943497107
Energy: 1.2168474158854263
Energy: 1.3691886622621847
Energy: 1.293802984677887
Energy: 1.3013043440291236
Energy: 1.247355878383418
Energy: 1.4101413277954913
Energy: 1.2810564122178592
Energy: 1.2216048055892228
Energy: 1.2465111767031853
Energy: 1.2414147211341287
Energy: 1.2953448844501323
Energy: 1.256432030319779
Energy: 1.287849299397666
Energy: 1.3762098471682445
Energy: 1.2275385155175662

minimum gb energy = 1.20148019798339 eV
minimum distance =  2.26319288268467 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.3693350473099797
Energy: 1.3046901726757298
Energy: 1.2658804149528633
Energy: 1.187019672915229
Energy: 1.281002249015287
Energy: 1.2494424797247254
Energy: 1.2405932803412016
Energy: 1.2436577668386615
Energy: 1.2481714047967811
Energy: 1.303853390303498
Energy: 1.186913819301982
Energy: 1.2052031181916216
Energy: 1.2790799649961895
Energy: 1.2190041460077368
Energy: 1.3135661592288448
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Energy: 1.2022012152973873
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Energy: 1.2691875799936523
Energy: 1.2633535384278447
Energy: 1.2675335944304935
Energy: 1.2681081349494714
Energy: 1.224744850595481
Energy: 1.2311873322929374
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Energy: 1.2718689563774677
Energy: 1.1817993244588574
Energy: 1.4101131266282758
Energy: 1.2427231869913027
Energy: 1.255832447695629
Energy: 1.2682487242561464
Energy: 1.4110296619572404
Energy: 1.319711572442001
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Energy: 1.2719777308763482
Energy: 1.2379568128559644
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Energy: 1.3033967037343708
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Energy: 1.2436708948672697
Energy: 1.242771969292488
Energy: 1.2926832689507621
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Energy: 1.2431167838668344
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Energy: 1.250954632741047
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Energy: 1.1905533765525733
Energy: 1.312482444910697
Energy: 1.239674656565247
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Energy: 1.291982389399685
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Energy: 1.2888063634332765
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Energy: 1.2492550684126607
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Energy: 1.2929909247738751
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Energy: 1.2484025516521535
Energy: 1.2526342623204012
Energy: 1.3566865373857404
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Energy: 1.1896531010737033
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Energy: 1.3051780733619749
Energy: 1.1819489609279674
Energy: 1.3536873705104644
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Energy: 1.3229581770389636
Energy: 1.4291175588119749
Energy: 1.4241047624645802
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Energy: 1.2805032641930287
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Energy: 1.2387588812809707
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Energy: 1.3167296589231912
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Energy: 1.2496096475760419
Energy: 1.2530495026132888
Energy: 1.2434583940936321
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Energy: 1.1989255386571738
Energy: 1.1985376281995883
Energy: 1.3196824561178806
Energy: 1.2196518479102922
Energy: 1.2394695157302893
Energy: 1.2932266470029696
Energy: 1.1984545626717977
Energy: 1.2558005642372378
Energy: 1.1974032483522585
Energy: 1.2388036914624387
Energy: 1.2494884874038459
Energy: 1.2611167516802189
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Energy: 1.257319757083122
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Energy: 1.1980584682188227
Energy: 1.1983041000166914
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Energy: 1.2071846139883071
Energy: 1.2612907936110431
Energy: 1.2605071927214748
Energy: 1.2213291395373127
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Energy: 1.3500252958400902
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Energy: 1.3055821497432758
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Energy: 1.235678640788231
Energy: 1.230519688162091
Energy: 1.2296141468863646
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Energy: 1.2693243012986286
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Energy: 1.3198337808831984
Energy: 1.3133470186420668
Energy: 1.2682957610362111
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minimum gb energy = 1.1817993244588574 eV
minimum distance =  2.26115920435511 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.2820623858358418
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Energy: 1.219716656495025
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Energy: 1.257172948991527
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Energy: 1.249847652894371
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Energy: 1.2032850695194288
Energy: 1.249584097218646
Energy: 1.2957576433142652
Energy: 1.2754540974956834
Energy: 1.2638387837668823
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Energy: 1.4211411816353674
Energy: 1.2754575196975333
Energy: 1.1416860232998554
Energy: 1.3464270914336411
Energy: 1.4431655406965316
Energy: 1.3472703091623526
Energy: 1.203213451362825
Energy: 1.4185954066303987
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Energy: 1.414385099583488
Energy: 1.1811391374207225
Energy: 1.2550571210934982
Energy: 1.2889221395217672
Energy: 1.2497060653982486
Energy: 1.1837618475173521
Energy: 1.136521403091867
Energy: 1.2339930579112675
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Energy: 1.2159239222007434
Energy: 1.2323923794734524
Energy: 1.2495822632306066
Energy: 1.239327263971608
Energy: 1.2339298237997705
Energy: 1.250062519647157
Energy: 1.1855252893186132
Energy: 1.279882793874998
Energy: 1.1466256665687637
Energy: 1.239686004470634
Energy: 1.1428281896220809
Energy: 1.177314472994082
Energy: 1.2370464832344323
Energy: 1.240258267619397
Energy: 1.181514094245985
Energy: 1.2335325672733222
Energy: 1.2432022242739544
Energy: 1.2400218666090435
Energy: 1.2906701761254502
Energy: 1.3032212100370704
Energy: 1.2992964492545727
Energy: 1.1601552816597664
Energy: 1.3332798508309887
Energy: 1.2594217881947722
Energy: 1.1763874949511088
Energy: 1.22084742187258
Energy: 1.1789296565746006
Energy: 1.2413145498301905
Energy: 1.247446760713176
Energy: 1.299692162031462
Energy: 1.2818201413304011
Energy: 1.256305057839497
Energy: 1.1653070380323614
Energy: 1.4065115498559064
Energy: 1.3965873378416982
Energy: 1.1621029211053857
Energy: 1.1762539791819406
Energy: 1.2068051621852471
Energy: 1.2314535177584718
Energy: 1.1691584006560185
Energy: 1.1417490748648136
Energy: 1.2486986624395946
Energy: 1.1892398029381581
Energy: 1.1794633983076452
Energy: 1.208889484174405
Energy: 1.2334494176935382
Energy: 1.2575715965538203
Energy: 1.1591396154449514

minimum gb energy = 1.0688226289400575 eV
minimum distance =  2.29419078582295 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.360589175590087
Energy: 1.1906089068710395
Energy: 1.2059445378676452
Energy: 1.2294748000233062
Energy: 1.2179346998088594
Energy: 1.2044695594231145
Energy: 1.2060492350884446
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Energy: 1.205765189535524
Energy: 1.1907790797999502
Energy: 1.1895754327354804
Energy: 1.205344042189028
Energy: 1.2766968702179207
Energy: 1.1918337818894722
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Energy: 1.206204003799446
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Energy: 1.2168573151264315
Energy: 1.2201572646574157
Energy: 1.2328515740241113
Energy: 1.2107855762431907
Energy: 1.268272156606113
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Energy: 1.2624521361072256
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Energy: 1.1982922751072878
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Energy: 1.2046162425661588
Energy: 1.200074572830812
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Energy: 1.2080064344145747
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Energy: 1.2290778643424298
Energy: 1.1993689534171719
Energy: 1.1982382157071148
Energy: 1.2186882877824103
Energy: 1.2071562290612532
Energy: 1.198257948160982
Energy: 1.2172076448178155
Energy: 1.2191365931978335
Energy: 1.2308672932298228
Energy: 1.2340212191102429
Energy: 1.215700642014419
Energy: 1.2669311916370902
Energy: 1.2161389704539642
Energy: 1.2051984394440751
Energy: 1.2062795586478292
Energy: 1.197495284297788
Energy: 1.2215358419568505
Energy: 1.2338813281192005
Energy: 1.2196836060603418
Energy: 1.219950775204784
Energy: 1.2107492137346954
Energy: 1.2160166186670645
Energy: 1.2061012969054086
Energy: 1.2046371275197534
Energy: 1.2046735422279944
Energy: 1.2133137679910704
Energy: 1.2132776496237212
Energy: 1.233603641034081
Energy: 1.2200459214288195
Energy: 1.2114339909434622
Energy: 1.2046546566013188
Energy: 1.2034610968982191
Energy: 1.2034617376879575
Energy: 1.2194516851786181
Energy: 1.2112635187670573
Energy: 1.2112369768173525
Energy: 1.1976657493914618
Energy: 1.2155830683149031
Energy: 1.2762937250700774
Energy: 1.215463284761528
Energy: 1.206280799993986
Energy: 1.2045162642461889
Energy: 1.2073182229008914
Energy: 1.1898296560814108
Energy: 1.2159268323691126
Energy: 1.2381893524701286
Energy: 1.2298265137431776
Energy: 1.212449231237558
Energy: 1.2739264614470605
Energy: 1.1888990221521394
Energy: 1.1890149104535104
Energy: 1.2744294890667547
Energy: 1.2042357271527193

minimum gb energy = 1.188618078625433 eV
minimum distance =  2.27373868575899 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.9706760961698304
Energy: 1.1379177057342762
Energy: 1.282888953908276
Energy: 1.2217361298427114
Energy: 1.1492000715100303
Energy: 1.3219031428545853
Energy: 1.3194522217352964
Energy: 1.311061058509683
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Energy: 1.1770977242240674
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Energy: 1.1358930156677631
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Energy: 1.1575602370988782
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Energy: 1.106789114269595
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Energy: 1.4194037683761866
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Energy: 1.1942100126121566
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Energy: 1.3685065287595068
Energy: 1.1444611596056518
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Energy: 1.1363519737654042
Energy: 1.252639365780011
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Energy: 1.1654135428002879
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Energy: 1.3128366274900845
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Energy: 1.119489693877738
Energy: 1.236340151071522
Energy: 1.1826060535656064
Energy: 1.169880474988981
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Energy: 1.1414923581877576
Energy: 1.1508541033733601
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Energy: 1.265385014248739
Energy: 1.2733479032693384
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Energy: 1.1856452746808508
Energy: 1.3265568736700761
Energy: 1.2588706363195872
Energy: 1.2438596101414732
Energy: 1.1215271325784026
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Energy: 1.3023920463950558
Energy: 1.1552946800909056
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Energy: 1.1851366848898892
Energy: 1.3725818113056498
Energy: 1.4210568821834684
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Energy: 1.1243220622116041
Energy: 1.119649012881747
Energy: 1.146379477283438
Energy: 1.3073301145965153
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Energy: 1.1302611956218258
Energy: 1.1490769799125995
Energy: 1.2016790178947647
Energy: 1.2631114052187573
Energy: 1.2765974139918543
Energy: 1.4219531671625314
Energy: 1.1607683306552736
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Energy: 1.167983661365678
Energy: 1.1304380050632954
Energy: 1.219435762365436
Energy: 1.1772855640817455
Energy: 1.2524850487170243
Energy: 1.28157482599243
Energy: 1.2775626276497152
Energy: 1.3194665362004154
Energy: 1.161904407365796
Energy: 1.1688513831595053
Energy: 1.1600227488731718
Energy: 1.131249240611376
Energy: 1.186264360264986
Energy: 1.17774984296153
Energy: 1.2072440078842006
Energy: 1.1399898340354377
Energy: 1.1351478360773353
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Energy: 1.148140680092451
Energy: 1.168423970610864
Energy: 1.1073253149033344
Energy: 1.1075796438780203
Energy: 1.1072981370342594
Energy: 1.2093984934757516
Energy: 1.1405056342850515
Energy: 1.1440759035798636
Energy: 1.350038130102164
Energy: 1.1368962760092298
Energy: 1.3571280400792727
Energy: 1.1753008649751773
Energy: 1.1078366043055994
Energy: 1.276359977151152
Energy: 1.262289308575847
Energy: 1.2243016454087419
Energy: 1.2100577644269486
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Energy: 1.220971108243621
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Energy: 1.1861083629869769
Energy: 1.1096212959102458
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Energy: 1.1380262122046003
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Energy: 1.3551134254033492
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Energy: 1.1331922008857822
Energy: 1.1389294714035698
Energy: 1.2703282879898317
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Energy: 1.1939489601771156
Energy: 1.1858659182014077
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Energy: 1.3552802613437094
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Energy: 1.14487170132789
Energy: 1.1294036985159313
Energy: 1.1611794738520513
Energy: 1.1458394113950239
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Energy: 1.1531331710896064
Energy: 1.1316342323243738
Energy: 1.2832999457296128
Energy: 1.3074174887817966
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Energy: 1.1402276738614259
Energy: 1.1549271086239188
Energy: 1.1379617569875546
Energy: 1.2814800679678109
Energy: 1.1727043198423976
Energy: 1.2004079701208146
Energy: 1.1636901631722165
Energy: 1.1998679545082498
Energy: 1.1546405223101222
Energy: 1.1938501798807777
Energy: 1.1416081515159218
Energy: 1.1365476937039651
Energy: 1.156659251637704
Energy: 1.161991699717866
Energy: 1.1517843522544384
Energy: 1.151011312680273
Energy: 1.3073265805298728
Energy: 1.3114923130670488
Energy: 1.1634213397196111
Energy: 1.3725372343179083
Energy: 1.4160140957989678
Energy: 1.150656985534396
Energy: 1.380475413570941
Energy: 1.3525807365146456
Energy: 1.171931946960493
Energy: 1.3227137986327762
Energy: 1.1866749457835506
Energy: 1.2787845159927336
Energy: 1.3077980445732238
Energy: 1.1402768441372357
Energy: 1.1337179225663028
Energy: 1.247237355417598
Energy: 1.3012919582760232
Energy: 1.154621527750409
Energy: 1.1833898805569383
Energy: 1.2645364765030018
Energy: 1.3731086830495456
Energy: 1.2978036065161622
Energy: 1.1572020548877031
Energy: 1.1367836268438187
Energy: 1.153542276214053
Energy: 1.3191630928809879
Energy: 1.1500146838980596
Energy: 1.1546324096210991
Energy: 1.161717639370016
Energy: 1.1359627222876958
Energy: 1.308111675372892
Energy: 1.2880156006181698
Energy: 1.372620363351585
Energy: 1.1541193411324264
Energy: 1.1524686968525968
Energy: 1.1537688935665227
Energy: 1.150370559482765
Energy: 1.133610774910801
Energy: 1.1639802894022908
Energy: 1.161486661898074
Energy: 1.247269005737717
Energy: 1.2786256949154735
Energy: 1.2181836825026093
Energy: 1.3508611314667478
Energy: 1.324452818144316
Energy: 1.1516554836440775
Energy: 1.1502470378982823
Energy: 1.1650010480498247
Energy: 1.1629699794573274
Energy: 1.3041404402858676
Energy: 1.1660470993868466
Energy: 1.3152579109701001
Energy: 1.1349635113296912
Energy: 1.3498811209846024
Energy: 1.3228170201576925
Energy: 1.154900423364242
Energy: 1.1314496613611904
Energy: 1.1663473208801578
Energy: 1.3074053264710774
Energy: 1.142753057261137
Energy: 1.1493308817458787
Energy: 1.1476028349535978
Energy: 1.3502671046285863
Energy: 1.1354689125330395
Energy: 1.184430559948551
Energy: 1.4040543384614632

minimum gb energy = 1.106789114269595 eV
minimum distance =  2.24255574453125 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 2.6743648953028454
Energy: 1.1907365997460138
Energy: 1.3624829513054952
Energy: 1.2318998033433826
Energy: 1.3051910396987167
Energy: 1.4147504293762962
Energy: 1.4446305732351443
Energy: 1.3585114481080505
Energy: 1.1995709277295097
Energy: 1.179068616198193
Energy: 1.3591748355563291
Energy: 1.4444096954298782
Energy: 1.244398852441703
Energy: 1.1561798204933635
Energy: 1.1974722722837405
Energy: 1.2226250008483313
Energy: 1.417660435245685
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Energy: 1.4400917827897433
Energy: 1.3355201784110442
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Energy: 1.227256355860042
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Energy: 1.2936317373275514
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Energy: 1.2290992776943603
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Energy: 1.1925190257579077
Energy: 1.3258489757863365
Energy: 1.2265012266239426
Energy: 1.2430088669915191
Energy: 1.1999164369814816
Energy: 1.208757706327948
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Energy: 1.1943238210778262
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Energy: 1.3406252843112292
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Energy: 1.450906150293916
Energy: 1.3453396996821458
Energy: 1.2644121962182218
Energy: 1.2919922217033257
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Energy: 1.1650900814800806
Energy: 1.3780832948525055
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Energy: 1.1567428698337838
Energy: 1.4197717188053907
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Energy: 1.4289990044623053
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Energy: 1.3183316873994244
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Energy: 1.1479458088475791
Energy: 1.4216036497598221
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Energy: 1.3756019565400899
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Energy: 1.2151752015856547
Energy: 1.2123959196840057
Energy: 1.44906052614075
Energy: 1.4261948471367902
Energy: 1.39913416282249
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Energy: 1.2022416292534852
Energy: 1.2022517139589317
Energy: 1.2485613925494201
Energy: 1.2153274561516538
Energy: 1.212539925493873
Energy: 1.2393344739082615
Energy: 1.3931861218892017
Energy: 1.4513280924684329
Energy: 1.373597472555806
Energy: 1.3578140221205885
Energy: 1.3572304226096479
Energy: 1.3540517079312373
Energy: 1.2367359530162534
Energy: 1.2046129733519941
Energy: 1.2877070283975436
Energy: 1.1927843802286326
Energy: 1.201628764012371
Energy: 1.2007875793343312
Energy: 1.2887500043460376
Energy: 1.404035072790069
Energy: 1.3538980854736322
Energy: 1.4184171591707426
Energy: 1.3234501066812216
Energy: 1.3038958100129816
Energy: 1.163831866771859
Energy: 1.4305688864082287
Energy: 1.440067759193379
Energy: 1.4481178583368581
Energy: 1.3610023462658425
Energy: 1.4080626923177006
Energy: 1.1463909578849316
Energy: 1.303983356083412
Energy: 1.305345913741328
Energy: 1.3487787342496016
Energy: 1.1832031237774807
Energy: 1.2367027968372157
Energy: 1.4149466045366246
Energy: 1.4443692272989002
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Energy: 1.327718002892404
Energy: 1.3690784470378765
Energy: 1.4293801597015487
Energy: 1.1826164558656012
Energy: 1.1750174689778532
Energy: 1.4544141994670374
Energy: 1.3904721030590128
Energy: 1.427310493901408
Energy: 1.1978286899458561
Energy: 1.1788298971173565
Energy: 1.2213976146751682
Energy: 1.32138440540662
Energy: 1.2166465519125067
Energy: 1.2101124770529799
Energy: 1.1505798894855783
Energy: 1.291039715265181
Energy: 1.457801953911871
Energy: 1.4632771854966617
Energy: 1.3327271972854164
Energy: 1.1803499852334927
Energy: 1.2217042760782975
Energy: 1.2092507984539582
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Energy: 1.2236230360573583
Energy: 1.2011937103094095
Energy: 1.173931358572007
Energy: 1.1673995452353556
Energy: 1.4312126949382127
Energy: 1.3302639528625608
Energy: 1.3288212597634075
Energy: 1.161601999204485
Energy: 1.2173693650812147
Energy: 1.1788491396692913
Energy: 1.200093957818096
Energy: 1.3713577130411387
Energy: 1.1579699030019626
Energy: 1.1399006047242273
Energy: 1.1484220653263069
Energy: 1.3825488973544477
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Energy: 1.191949211868848
Energy: 1.3308342150721373
Energy: 1.3816315239497803
Energy: 1.4845138179967448
Energy: 1.4239281739053233
Energy: 1.3761650001222128
Energy: 1.378557673779332
Energy: 1.177411501814504
Energy: 1.139338050611056
Energy: 1.2443390034215553
Energy: 1.3182109546286087
Energy: 1.2226564312566768
Energy: 1.1776960869465136
Energy: 1.38164538754801
Energy: 1.328909587825089
Energy: 1.3496711231816692
Energy: 1.335787782291651
Energy: 1.427834975128787
Energy: 1.231261244099618
Energy: 1.3820069194551532
Energy: 1.160725401466468
Energy: 1.433981330027594
Energy: 1.3857968557765563
Energy: 1.3881894420437098
Energy: 1.1785761491641695
Energy: 1.1923723638295147
Energy: 1.1718811823242397
Energy: 1.273871393948233
Energy: 1.2080226280804398
Energy: 1.2283675689786286
Energy: 1.3561028248656817
Energy: 1.3663022259493565
Energy: 1.4443089589788534
Energy: 1.4010255388851773
Energy: 1.3219261454671487
Energy: 1.3342274985551983
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Energy: 1.2189975487000577
Energy: 1.210057515023275
Energy: 1.2644325114001718
Energy: 1.383101259434191
Energy: 1.3543604924159793
Energy: 1.4715228269390022
Energy: 1.277566362967081
Energy: 1.2718276884077897
Energy: 1.2969161427286042
Energy: 1.1809115042682063
Energy: 1.4282748114991082
Energy: 1.442826553103611
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Energy: 1.353911142758899
Energy: 1.1465059515834468
Energy: 1.2276459751269317
Energy: 1.306883726980155
Energy: 1.3437566412393342
Energy: 1.4406153368296934
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Energy: 1.3866510549282718
Energy: 1.4372571161462744
Energy: 1.3188359742740476
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Energy: 1.4512590222728923
Energy: 1.386581338796567
Energy: 1.1976846957400034
Energy: 1.2229765219857502
Energy: 1.2084298629515977
Energy: 1.3864968234743476
Energy: 1.207865055269112
Energy: 1.171788531723903
Energy: 1.214713697869329
Energy: 1.2449545258463905
Energy: 1.2747731317659317
Energy: 1.3141235574579935
Energy: 1.2177654106964952
Energy: 1.4530551275600339
Energy: 1.3798405005486798
Energy: 1.4198981215446056
Energy: 1.3212163275649773
Energy: 1.1788032631491276
Energy: 1.2223746963313005
Energy: 1.2513843381905398
Energy: 1.2146621896381529
Energy: 1.2370167331571627
Energy: 1.1577898726754199
Energy: 1.4406529327209032
Energy: 1.4519924919756857
Energy: 1.202951475944108
Energy: 1.4078101756163308
Energy: 1.3319085080761985
Energy: 1.3732385279618882
Energy: 1.3136499246516535
Energy: 1.2744439886215106
Energy: 1.2013399035330645
Energy: 1.1591345843608236
Energy: 1.201426005607334
Energy: 1.1603622429033391
Energy: 1.1478851521000422
Energy: 1.126265536647312
Energy: 1.3336433394838514
Energy: 1.3643517117902388
Energy: 1.421653770919354
Energy: 1.2749447349998062
Energy: 1.1595102432446078
Energy: 1.4125589238656533
Energy: 1.403887864440661
Energy: 1.1868003179101416
Energy: 1.4221835231073012
Energy: 1.310432583898394
Energy: 1.3770144905865365
Energy: 1.1669547318170392
Energy: 1.1627520318222564
Energy: 1.2428522993151712
Energy: 1.1708363531250627
Energy: 1.3900919467226103
Energy: 1.4046292716591697
Energy: 1.4334800245861294
Energy: 1.1936143461868294
Energy: 1.19575601476352
Energy: 1.3184341717466073
Energy: 1.4347495051928725
Energy: 1.2336232743360789
Energy: 1.2966456706551954
Energy: 1.3213254213863148
Energy: 1.1841330925350495
Energy: 1.2035899375625556
Energy: 1.2033732827223087
Energy: 1.1959002768259088
Energy: 1.2213830736645552
Energy: 1.2219104288827698
Energy: 1.2991779593927522
Energy: 1.2309892354709064
Energy: 1.2602212875200756
Energy: 1.421958570805038
Energy: 1.4055250819721583
Energy: 1.406828418717036
Energy: 1.3467540888049043
Energy: 1.3468540554945583
Energy: 1.3402343909774486
Energy: 1.2214433766957873
Energy: 1.2248623363951268
Energy: 1.2216907714975713
Energy: 1.2378797884187545
Energy: 1.2003545823345765
Energy: 1.2067860894214573
Energy: 1.4053838981936142
Energy: 1.4075640613343585
Energy: 1.3767800823810494
Energy: 1.4325142399895727
Energy: 1.4333701191696504
Energy: 1.2321404564631833
Energy: 1.2931901739853027
Energy: 1.2770026632257214
Energy: 1.2572004913027344
Energy: 1.158256309749447
Energy: 1.2356167415439645
Energy: 1.1536628465282346

minimum gb energy = 1.126265536647312 eV
minimum distance =  2.26118704673343 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3634763118556925
Energy: 1.1743135205142279
Energy: 1.2560110115834346
Energy: 1.2161813346585788
Energy: 1.265302956900774
Energy: 1.3611955592756515
Energy: 1.3589001664849163
Energy: 1.3180042179985003
Energy: 1.2728234060997483
Energy: 1.1759467324152517
Energy: 1.2059142499781792
Energy: 1.3558314137361938
Energy: 1.3097080738248383
Energy: 1.222985422484319
Energy: 1.2265829464333278
Energy: 1.310305987820973
Energy: 1.3453529719513706
Energy: 1.219511624355175
Energy: 1.2570685792057168
Energy: 1.193734760442012
Energy: 1.1896270875556314
Energy: 1.3367309052449128
Energy: 1.2384381440970156
Energy: 1.2287311968841157
Energy: 1.144169580331069
Energy: 1.3074023939520325
Energy: 1.1842595443999324
Energy: 1.185523882331546
Energy: 1.2116238511570647
Energy: 1.1825811761808551
Energy: 1.184796583335719
Energy: 1.1841338319872359
Energy: 1.1907173633062342
Energy: 1.2499117294237057
Energy: 1.2004548651723381
Energy: 1.1487363768274088
Energy: 1.2195403048148044
Energy: 1.3290137024674418
Energy: 1.208957929115611
Energy: 1.2154345609931665
Energy: 1.1875750582825149
Energy: 1.1886560597555842
Energy: 1.1886391501255693
Energy: 1.1916900669074753
Energy: 1.2011083571078591
Energy: 1.1828879941685213
Energy: 1.3308216225550646
Energy: 1.393678611204894
Energy: 1.2100860215388747
Energy: 1.1798807821540185
Energy: 1.2386033269712358
Energy: 1.238408595035098
Energy: 1.3864629014699599
Energy: 1.3752574192714788
Energy: 1.3486609025114282
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Energy: 1.2291351559850718
Energy: 1.1883528543149062
Energy: 1.1786567375834454
Energy: 1.3685756472660302
Energy: 1.2086560391016448
Energy: 1.197487400667124
Energy: 1.3230043834198153
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Energy: 1.151451415432102
Energy: 1.327038430824411
Energy: 1.3088258998566291
Energy: 1.2018039501023685
Energy: 1.204937430882553
Energy: 1.2912606597793825
Energy: 1.3825353237476925
Energy: 1.2500247043955675
Energy: 1.2056710810791933
Energy: 1.197073926500141
Energy: 1.1515898182962785
Energy: 1.1976764511446045
Energy: 1.1790640452846932
Energy: 1.2110696199424238
Energy: 1.2318338223179406
Energy: 1.2889565165906818
Energy: 1.3764736030486688
Energy: 1.1516358698609692
Energy: 1.1987110034029425
Energy: 1.1980826814588008
Energy: 1.1563878341727212
Energy: 1.1981487971019116
Energy: 1.198514366782951
Energy: 1.1972648072543295
Energy: 1.1414900489101762
Energy: 1.1973687152635752
Energy: 1.1853350488736858
Energy: 1.314647562609387
Energy: 1.2039120274057844
Energy: 1.1461625014150794
Energy: 1.1856217772200421
Energy: 1.1791009508759134
Energy: 1.2117951877759554
Energy: 1.2210991807194949
Energy: 1.1859015524833605
Energy: 1.2890030933236334
Energy: 1.2279162237974162
Energy: 1.3006057055007083
Energy: 1.2304953989353722
Energy: 1.2305025142328918
Energy: 1.318320917560329
Energy: 1.2284643513141573
Energy: 1.2292033233365995
Energy: 1.379711906013597
Energy: 1.3794572117712438
Energy: 1.348363590722424
Energy: 1.2417279443185276
Energy: 1.1790005895151936
Energy: 1.200734040275978
Energy: 1.2949825476523495
Energy: 1.3231902813143064
Energy: 1.2263394401959538
Energy: 1.222486118626973
Energy: 1.2930925413953247
Energy: 1.1574572349070547
Energy: 1.2036811608754874
Energy: 1.176432201443311
Energy: 1.1766262393316484
Energy: 1.2062681166649039
Energy: 1.1927652516616856
Energy: 1.2585761365333867
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Energy: 1.1786160684989833
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Energy: 1.3070957368192482
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Energy: 1.2244383302152129
Energy: 1.1784480445405034
Energy: 1.2196709195108586
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Energy: 1.3806872473222436
Energy: 1.181780636758839
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Energy: 1.185313021705077
Energy: 1.225389613807855
Energy: 1.2051961820711652
Energy: 1.22191715502415
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Energy: 1.2670743727896419
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Energy: 1.2651328661296952
Energy: 1.338455102064085
Energy: 1.2754030503043154
Energy: 1.299167552697418
Energy: 1.175421296558451

minimum gb energy = 1.1347894145313435 eV
minimum distance =  2.27401785454237 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.1139577760458124
Energy: 1.1375435933329825
Energy: 1.13316017514359
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Energy: 1.1462235340389335
Energy: 1.1796674765687178
Energy: 1.1340610876022204
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Energy: 1.1331862522896152
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Energy: 1.095848338293098
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Energy: 1.1209418092650467
Energy: 1.1308680434946752
Energy: 1.0958851692461091
Energy: 1.0959889554447213
Energy: 1.1338710583964136
Energy: 1.1455140000620476

minimum gb energy = 1.0958042642970063 eV
minimum distance =  2.31387024990349 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.3208072677748097
Energy: 1.349287343522193
Energy: 1.3018214345907089
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Energy: 1.335720157236653
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Energy: 1.3412814042506886
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Energy: 1.3398029348441387
Energy: 1.3374758370605926
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Energy: 1.4710952045363597
Energy: 1.4697524667009922
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Energy: 1.3186280308624607
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Energy: 1.3405976502572965
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minimum gb energy = 1.2939362454222092 eV
minimum distance =  2.2699634652442 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.4493952765873201
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Energy: 1.3643348336282617
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Energy: 1.3360150909678024
Energy: 1.294647639398949
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Energy: 1.3639928080269346
Energy: 1.3330222013553474
Energy: 1.3308091127082913
Energy: 1.3414167660406309
Energy: 1.3578702856281404
Energy: 1.303050120713042
Energy: 1.3432953502763105
Energy: 1.3585944387681743
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Energy: 1.2976742699560728
Energy: 1.3990806490883054
Energy: 1.3793315904591776
Energy: 1.3146413911756616
Energy: 1.3211732323127559
Energy: 1.377760230952461
Energy: 1.4340194358629064
Energy: 1.461115886393437
Energy: 1.3969447765791025
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Energy: 1.3469218516915276
Energy: 1.3783980601280164
Energy: 1.3634441961840378
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Energy: 1.3636616538151594
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Energy: 1.4099588533211458
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Energy: 1.29848364512481
Energy: 1.3273052836618942
Energy: 1.3636937102373639
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Energy: 1.4042963917399014
Energy: 1.395483269036848
Energy: 1.4934780520144222
Energy: 1.3250467319984927
Energy: 1.3305312574668855
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Energy: 1.311872014867264
Energy: 1.3124242913544095
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Energy: 1.4252535309316634
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Energy: 1.451854467697919
Energy: 1.334128071875664
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Energy: 1.33154839502682
Energy: 1.3310527507734038
Energy: 1.3109501731889697
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Energy: 1.3656648001049838
Energy: 1.3424478622892342
Energy: 1.339167728725476
Energy: 1.4023404054965745
Energy: 1.331890401863721
Energy: 1.3629929725586425
Energy: 1.3573780015901709
Energy: 1.3197839816053007
Energy: 1.3497349050448229
Energy: 1.3473157631954145
Energy: 1.3477732184907736
Energy: 1.3682974350298325
Energy: 1.3339325009548662
Energy: 1.450069541914893
Energy: 1.4996210866268418
Energy: 1.330022387347922
Energy: 1.3499855319043952
Energy: 1.3668878204402033
Energy: 1.3617239841343236
Energy: 1.3675398150114764
Energy: 1.3708584886285333
Energy: 1.366003168894463
Energy: 1.358758451884085
Energy: 1.4506991275090473
Energy: 1.4521454748538738
Energy: 1.3075605381504802
Energy: 1.3544039485554071
Energy: 1.3582286425490533
Energy: 1.4510565587002424
Energy: 1.3351188360502007
Energy: 1.3346818485361818
Energy: 1.3512209063695333
Energy: 1.3697624548978042
Energy: 1.36945977954379
Energy: 1.3632567742692294
Energy: 1.3292163097854037
Energy: 1.3645008178981959
Energy: 1.4374877916795017
Energy: 1.3628881168201736
Energy: 1.3321479177538755
Energy: 1.3617119840409508
Energy: 1.343966941422998
Energy: 1.40019376276321
Energy: 1.4252514112620367
Energy: 1.2905910329566295
Energy: 1.3064141232988733
Energy: 1.3604774123362513
Energy: 1.3624116554678936
Energy: 1.3566481876547722
Energy: 1.338181488670997
Energy: 1.3423022543312655
Energy: 1.3318668704724956
Energy: 1.3322102228361021
Energy: 1.3110011411728517
Energy: 1.2910901785452966
Energy: 1.3309483715815518
Energy: 1.3134496529179127
Energy: 1.3277599465917826
Energy: 1.394447872996278
Energy: 1.4259223160019383
Energy: 1.4995256284547196
Energy: 1.3983141717371366
Energy: 1.3466567787000743
Energy: 1.3094762824576949
Energy: 1.3113067023864682
Energy: 1.3306711759350291
Energy: 1.3543143677569256
Energy: 1.3447389465057042
Energy: 1.4498241968054315
Energy: 1.3781685909940784
Energy: 1.2934638662554
Energy: 1.334350272783433
Energy: 1.420629086955116
Energy: 1.3101620856528733
Energy: 1.2960746373373966
Energy: 1.3069469655485715
Energy: 1.356311830751302
Energy: 1.3325238869488325
Energy: 1.365652353104178
Energy: 1.3322944974949793

minimum gb energy = 1.2874497265408797 eV
minimum distance =  2.2651722741515 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.7101066923795756
Energy: 1.1187069446266151
Energy: 1.2084700935568837
Energy: 1.2091956782003763
Energy: 1.2080535613729428
Energy: 1.3720497425852212
Energy: 1.2088639779832213
Energy: 1.208944478494477
Energy: 1.2090502686581213
Energy: 1.1193053463145743
Energy: 1.1601806006361706
Energy: 1.208608235906286
Energy: 1.2095093020642371
Energy: 1.314844059403721
Energy: 1.2098354065036792
Energy: 1.2053522903043221
Energy: 1.2079112548476143
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Energy: 1.3720273813713573
Energy: 1.2081683611936163
Energy: 1.334411858002697
Energy: 1.4213000739655843
Energy: 1.208185653160132
Energy: 1.2090504533989535
Energy: 1.3962218647607625
Energy: 1.3251290266643532
Energy: 1.2106039022918669
Energy: 1.208352759893103
Energy: 1.2063122399050499
Energy: 1.2082892722482828
Energy: 1.2072452539416227
Energy: 1.120297512473802
Energy: 1.11897069607726
Energy: 1.326935907681076
Energy: 1.4231211317606014
Energy: 1.3934560766528172
Energy: 1.2072578745277731
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Energy: 1.1146195123992244
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Energy: 1.3394518307590206
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Energy: 1.2086698717246063
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Energy: 1.2081238146745712
Energy: 1.3267206338762967
Energy: 1.3386696736015689
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Energy: 1.2062676347427577
Energy: 1.394227322130458
Energy: 1.3967727410517006
Energy: 1.2091884571416076
Energy: 1.2071564579752518
Energy: 1.2032990475864302
Energy: 1.1176492044521171
Energy: 1.2086733458337657
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Energy: 1.1177892498874067
Energy: 1.502607934008827
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Energy: 1.2091984108706049
Energy: 1.339181352064553
Energy: 1.3360624173233322
Energy: 1.207669712318907
Energy: 1.2110814659357778
Energy: 1.3717203404542235
Energy: 1.1190415352704535
Energy: 1.2050702409004148
Energy: 1.2077182639933322
Energy: 1.2096008642099345
Energy: 1.2070828624578895
Energy: 1.2079161730662995
Energy: 1.2022769057452667
Energy: 1.2088813491836965
Energy: 1.2099370915533374
Energy: 1.20926592581169
Energy: 1.2094768486129024
Energy: 1.3982928959848144
Energy: 1.3718012812027474
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Energy: 1.2147973459377517
Energy: 1.335085641728212
Energy: 1.2033527629016885
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Energy: 1.209235036360913
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Energy: 1.2100485474704934
Energy: 1.424617581861892
Energy: 1.3943699366115312
Energy: 1.2071706808504463
Energy: 1.3716945948399286
Energy: 1.2095363468050935
Energy: 1.2101372278148104
Energy: 1.209050553669899
Energy: 1.1194470205353901
Energy: 1.1191318971101254
Energy: 1.2078346363671209
Energy: 1.20878717472842
Energy: 1.2088610054377211
Energy: 1.2087151153273048
Energy: 1.202858429775422
Energy: 1.2078661754678477
Energy: 1.2099357109393256
Energy: 1.3716510906359929
Energy: 1.2076992480700859
Energy: 1.2055782504674621
Energy: 1.2079132785147388
Energy: 1.3260495665124548
Energy: 1.1882073715290837
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Energy: 1.3917278197254548
Energy: 1.2115641234733567
Energy: 1.20930356506216
Energy: 1.2082846713519417
Energy: 1.2085513292823056
Energy: 1.3335457888705753
Energy: 1.4227266669392795
Energy: 1.2084379632922084
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Energy: 1.3960872635758004
Energy: 1.394310947088095
Energy: 1.2063505758787896
Energy: 1.2085938784974677
Energy: 1.119316882330292
Energy: 1.2083623148501517
Energy: 1.206920889249738
Energy: 1.1211200130043555
Energy: 1.1190057362591073
Energy: 1.3283258671361573
Energy: 1.4233965796134518
Energy: 1.1886497110425036
Energy: 1.3373354673819415
Energy: 1.2079874930228458
Energy: 1.2067205817184803
Energy: 1.2103647336224466
Energy: 1.3378749397472023
Energy: 1.504791004089062
Energy: 1.1182115248008575
Energy: 1.2051900799921522
Energy: 1.2096162453433723
Energy: 1.394703385713481
Energy: 1.2093352049719246
Energy: 1.2080745556025447
Energy: 1.2078568550590865
Energy: 1.2095429576608652
Energy: 1.2089119915850361
Energy: 1.2070415906238194
Energy: 1.3957768371703958
Energy: 1.3696884350566416
Energy: 1.2093054110542119
Energy: 1.3935037876993783
Energy: 1.397488323884371
Energy: 1.328139917848156
Energy: 1.2079795817866525
Energy: 1.2045906754076274
Energy: 1.2077976064524292
Energy: 1.3248173160429493
Energy: 1.338800781170129
Energy: 1.2074509423784168
Energy: 1.2074624464832875
Energy: 1.2098025997008652
Energy: 1.3299532298182453
Energy: 1.2097414622687086
Energy: 1.340095469618928
Energy: 1.367820337309037
Energy: 1.2089112289794879
Energy: 1.209341076481401
Energy: 1.208698995386393
Energy: 1.1190746723395268
Energy: 1.5022732023844894
Energy: 1.207941732633487
Energy: 1.2095508731689835
Energy: 1.312834853946373
Energy: 1.207127798412878
Energy: 1.2023493689351274
Energy: 1.2078125033632077
Energy: 1.3719785838262912
Energy: 1.3377570850875493
Energy: 1.1199832067018396
Energy: 1.2083362357564078
Energy: 1.3717251545945908
Energy: 1.2084752280355082
Energy: 1.2081780046296058
Energy: 1.3930075406046885
Energy: 1.3286078694718106
Energy: 1.208594218198768
Energy: 1.210041581220836
Energy: 1.2105584423964488
Energy: 1.2058093739713802
Energy: 1.4199405211555876
Energy: 1.1199256499022339
Energy: 1.209071001283008
Energy: 1.4240557979031103
Energy: 1.395287002634436
Energy: 1.207164467059171
Energy: 1.2041122808723388
Energy: 1.2079653564620143
Energy: 1.3314637869492074
Energy: 1.2087917902317256
Energy: 1.2083142712357298

minimum gb energy = 1.1146195123992244 eV
minimum distance =  2.35898127466215 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.463672315107273
Energy: 1.2818877974767082
Energy: 1.2889786272259267
Energy: 1.305983952412577
Energy: 1.27382040500324
Energy: 1.327046161234261
Energy: 1.269694405356414
Energy: 1.268445434065701
Energy: 1.2876550949383347
Energy: 1.268922328243553
Energy: 1.3206277866049807
Energy: 1.3952626484216821
Energy: 1.299034465708006
Energy: 1.2735777593371818
Energy: 1.252935452978598
Energy: 1.2911330448535916
Energy: 1.2636877829486406
Energy: 1.26815772877782
Energy: 1.2691386212845013
Energy: 1.3901187762653424
Energy: 1.3413911625375794
Energy: 1.4212638442180157
Energy: 1.3437264909087505
Energy: 1.27315533116334
Energy: 1.2914280533109095
Energy: 1.3207975769234155
Energy: 1.2680984060850584
Energy: 1.2631731046974526
Energy: 1.3164914545482738
Energy: 1.3762547706562478
Energy: 1.2637919511530795
Energy: 1.3833622052945023
Energy: 1.3902544817966502
Energy: 1.3209252148279955
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Energy: 1.262264268755073
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Energy: 1.35231701235018
Energy: 1.3500568276109797
Energy: 1.3683397887187
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Energy: 1.309093333687009
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Energy: 1.2860085801582943
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Energy: 1.2753686075472226
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Energy: 1.350797556045827
Energy: 1.3411308582634125
Energy: 1.3190386243244259
Energy: 1.3482953518661303
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Energy: 1.2912419977773315
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Energy: 1.3250812068079598
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Energy: 1.277564509026588
Energy: 1.2651068590768824
Energy: 1.2787764814031533
Energy: 1.329528084684671
Energy: 1.289151555819547
Energy: 1.3199482607921986
Energy: 1.2635627649204457
Energy: 1.3893935732764466
Energy: 1.3083293545975583
Energy: 1.372342596855301
Energy: 1.3972046644311178
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Energy: 1.2590805634405449
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Energy: 1.3218356529783197
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Energy: 1.3458174363747752
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Energy: 1.3963098923530006
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Energy: 1.2599089107659618
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Energy: 1.2751308018894942
Energy: 1.2939814455152274
Energy: 1.2965674160492957
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Energy: 1.2683794485955158
Energy: 1.3780838923249707
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Energy: 1.2752650997861295
Energy: 1.263660393288932
Energy: 1.3692732623035437
Energy: 1.3542191673270996
Energy: 1.3530687129290933
Energy: 1.3199528939443852
Energy: 1.2586141758707619
Energy: 1.2683299432091295
Energy: 1.300605315557055
Energy: 1.2769751644008296
Energy: 1.292543556745146
Energy: 1.2755025766615629
Energy: 1.3723517445991216
Energy: 1.409143914576719
Energy: 1.3702067545944654
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Energy: 1.3123095702775078
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Energy: 1.298480418142486
Energy: 1.3268332065359898
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Energy: 1.3025128823903838
Energy: 1.2811971820748602
Energy: 1.3947373880523675
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Energy: 1.4338781306523602
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Energy: 1.3701544902216496
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Energy: 1.3653441396261101
Energy: 1.3016241011754757
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Energy: 1.3013754438363643
Energy: 1.2652361773564733
Energy: 1.3055135192217677
Energy: 1.325730270012956
Energy: 1.337746204479257
Energy: 1.3076060840799009
Energy: 1.3183321069570277
Energy: 1.3643474905703266
Energy: 1.2977671303408984
Energy: 1.4271428917194429
Energy: 1.2983165833634707
Energy: 1.2604832672315394
Energy: 1.2749704975893656
Energy: 1.4021009578911046
Energy: 1.3502971336597267
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Energy: 1.269994519951668
Energy: 1.2695702690063617
Energy: 1.3019961652294374
Energy: 1.3003162602805332
Energy: 1.3012631072938412
Energy: 1.3013616220721864
Energy: 1.2866000510156885
Energy: 1.3298000243936967
Energy: 1.3953354318393603
Energy: 1.4083874852039586
Energy: 1.3643173288430013
Energy: 1.3019069239949979
Energy: 1.308639592503167
Energy: 1.3546469197790838
Energy: 1.3009063609187126
Energy: 1.2813291462840335
Energy: 1.2869346603126701
Energy: 1.3105043629294435
Energy: 1.3981854199262973
Energy: 1.3307704608325113
Energy: 1.386041965260498
Energy: 1.3248066877120948
Energy: 1.2996705858283757
Energy: 1.3030213419985144
Energy: 1.2827696117674656
Energy: 1.2864331761088927
Energy: 1.2900236306277322
Energy: 1.2820218854325154
Energy: 1.2708993522960388
Energy: 1.324848504226268
Energy: 1.274552921118421
Energy: 1.2764998709734277
Energy: 1.3225093010623377
Energy: 1.3233953091788793
Energy: 1.2877814659286353
Energy: 1.2885244195208467
Energy: 1.296090493270235
Energy: 1.3044841797510907
Energy: 1.3849180791037818
Energy: 1.2787043918614074
Energy: 1.306203877311142
Energy: 1.3297883744759007
Energy: 1.2490051108225315
Energy: 1.2519826091309851
Energy: 1.2849630930091513
Energy: 1.2998726728225807
Energy: 1.286142024016859
Energy: 1.3235434439669191
Energy: 1.3716287813954569
Energy: 1.4671423019655425
Energy: 1.3949499430869787
Energy: 1.3459916927998967
Energy: 1.3032402529005473
Energy: 1.289876463224409
Energy: 1.2850047237146816
Energy: 1.33449623506293
Energy: 1.2794803228597742
Energy: 1.2755489270325153
Energy: 1.3870235521266818
Energy: 1.2639465575398678
Energy: 1.4161572789921923
Energy: 1.4003268229394785
Energy: 1.3200409622724416
Energy: 1.3148057172456529
Energy: 1.2870970689233014
Energy: 1.3248455991045347
Energy: 1.3182582246501378
Energy: 1.3283629011377724
Energy: 1.2867923296679211
Energy: 1.2759622584684478
Energy: 1.2975410922275192
Energy: 1.2683964963264662
Energy: 1.2807957506571026
Energy: 1.2908744712460842
Energy: 1.2858097267796382
Energy: 1.2986408516680352
Energy: 1.3095689982930345
Energy: 1.3243462925584453
Energy: 1.3252690471404285
Energy: 1.3527159821564827
Energy: 1.3799401905493016
Energy: 1.38766097596615
Energy: 1.387902112429358
Energy: 1.3236758701804876
Energy: 1.2855593096122113
Energy: 1.311623515432507
Energy: 1.3969760988335274
Energy: 1.2772329844264645
Energy: 1.3279514559097798
Energy: 1.2983188696298154
Energy: 1.2932487270264343
Energy: 1.3515483885178998
Energy: 1.3224055466259013
Energy: 1.3988895004488096
Energy: 1.2784464996318465
Energy: 1.307676216754149
Energy: 1.3069844600229028
Energy: 1.2955384510419403
Energy: 1.29562879847933
Energy: 1.281167974086354
Energy: 1.2736255154951002
Energy: 1.2785144390379701
Energy: 1.2714138368898233
Energy: 1.2842380254956745
Energy: 1.2937856221480444
Energy: 1.3124380243614753
Energy: 1.3988166837387621
Energy: 1.3081168303544044
Energy: 1.3763553319696826
Energy: 1.3753270593593319
Energy: 1.3248379573226932
Energy: 1.3517358114219846
Energy: 1.3662281052785072
Energy: 1.2952533805953008
Energy: 1.3491219769179463
Energy: 1.3077025424738635
Energy: 1.3091014442929072
Energy: 1.2878073712138405
Energy: 1.2891191888855682
Energy: 1.3453404639259023
Energy: 1.3259656378059157
Energy: 1.3579971125825772
Energy: 1.3222600819672907
Energy: 1.353911335404255
Energy: 1.356674142947067
Energy: 1.3483130489943822
Energy: 1.300928587150894
Energy: 1.2890118107429533
Energy: 1.2964929996439827
Energy: 1.2799959398710565
Energy: 1.2736853110753008
Energy: 1.3278780148390472
Energy: 1.2670442133524054
Energy: 1.275779240545949
Energy: 1.296579681233033
Energy: 1.286536994575993
Energy: 1.301906264262253
Energy: 1.2872818288588705
Energy: 1.3190504183404015
Energy: 1.2959693370595475
Energy: 1.3771609872605362
Energy: 1.4021654951628055
Energy: 1.2809311309476235
Energy: 1.2799058521070161
Energy: 1.3027322138781294
Energy: 1.263823900202902
Energy: 1.2709297525036827
Energy: 1.3169027830471807
Energy: 1.2890018979933107
Energy: 1.2748528243961623
Energy: 1.399440733134836
Energy: 1.3255508804157825
Energy: 1.4267993825171157
Energy: 1.3992889084708557
Energy: 1.308753213474848
Energy: 1.2685505757467772
Energy: 1.2640363742791647
Energy: 1.2911737702854376
Energy: 1.2870237018423634
Energy: 1.2760335572901749
Energy: 1.2874383415898243
Energy: 1.3635835795491356
Energy: 1.3541522166802775
Energy: 1.3902766661490633
Energy: 1.2878495190510553
Energy: 1.272556431036748
Energy: 1.2709801495940727
Energy: 1.333659159805735
Energy: 1.2811731625246812
Energy: 1.2934655625878617
Energy: 1.2858424510756572
Energy: 1.288216541533757
Energy: 1.2668710763705504
Energy: 1.263619468572871
Energy: 1.3134735229838428
Energy: 1.271387316736364
Energy: 1.2812607478235953
Energy: 1.30325883125378
Energy: 1.277146347943855
Energy: 1.2744174208616357
Energy: 1.2709994920273227
Energy: 1.391084877246734
Energy: 1.3597771285401312
Energy: 1.3765952891230242
Energy: 1.3154386251745882
Energy: 1.3273124927394448
Energy: 1.2629482906088776
Energy: 1.3049971859760787
Energy: 1.3612234172537787
Energy: 1.2786068434911237
Energy: 1.2745384468993046
Energy: 1.3968730724040528
Energy: 1.3865064638676514
Energy: 1.3853203470896387
Energy: 1.3361648902537853
Energy: 1.297243240412636
Energy: 1.3618642719687948
Energy: 1.3034426225002622
Energy: 1.3056556243954618
Energy: 1.288257481331867
Energy: 1.2530543097631648
Energy: 1.4741583162544456
Energy: 1.28740495615796
Energy: 1.3892263397738451
Energy: 1.2989010975499666
Energy: 1.2748282795588386
Energy: 1.2738044708622842
Energy: 1.3085690887044488
Energy: 1.4408985168041677
Energy: 1.3658796656107368
Energy: 1.3976235804060368
Energy: 1.274829814861025
Energy: 1.2822772426449598
Energy: 1.3250986893966499
Energy: 1.2940041295653462
Energy: 1.3907147079435935
Energy: 1.3913520814699802
Energy: 1.303369387317543
Energy: 1.3002967675387298
Energy: 1.3037234540952167
Energy: 1.3933035656910318
Energy: 1.3914388589855071
Energy: 1.3228682903566122
Energy: 1.403251388983339
Energy: 1.2815398427636249
Energy: 1.2977303015579547
Energy: 1.3897304576554321
Energy: 1.3419622942566418
Energy: 1.3195418248234745
Energy: 1.304427199709533
Energy: 1.293843468872539
Energy: 1.2854184163783025
Energy: 1.3286030104790136
Energy: 1.378099086776225
Energy: 1.2733146895298828
Energy: 1.2640057059671097
Energy: 1.392125172980392
Energy: 1.2947163236424868
Energy: 1.3318501893969166
Energy: 1.3037941944279055
Energy: 1.269230126146917
Energy: 1.2704129501319188
Energy: 1.402662252217757
Energy: 1.2747914588969542
Energy: 1.3996728010774948
Energy: 1.3762342338046956
Energy: 1.2736305078025492
Energy: 1.269890357075656
Energy: 1.3598050030455593
Energy: 1.3605712882804406
Energy: 1.3641211640239215
Energy: 1.3042418558862847
Energy: 1.3139531366582589
Energy: 1.391686249454887
Energy: 1.3414144022352634
Energy: 1.3915743213143266
Energy: 1.2918930934496684
Energy: 1.2727747740833604
Energy: 1.274540518551161
Energy: 1.3033894517051594
Energy: 1.2693362053982093
Energy: 1.2668623946142363
Energy: 1.305720807875465
Energy: 1.3543504990752417
Energy: 1.3083320283220188
Energy: 1.2994418292818422
Energy: 1.3148207384994497
Energy: 1.2915131604188705
Energy: 1.2728173710622883
Energy: 1.294851387691595
Energy: 1.2617877266702409
Energy: 1.2775484423933146
Energy: 1.2906754612630076
Energy: 1.27236430657784

minimum gb energy = 1.2490051108225315 eV
minimum distance =  2.27587160554725 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.4626828458288226
Energy: 1.2027516100278592
Energy: 1.2380661399704112
Energy: 1.3051602422422108
Energy: 1.3261839744378408
Energy: 1.3313273228475275
Energy: 1.3040138093516243
Energy: 1.2837521429617484
Energy: 1.2372233091094669
Energy: 1.204838279255994
Energy: 1.1993171285563158
Energy: 1.2287347939229112
Energy: 1.3294219037553565
Energy: 1.3310142730475454
Energy: 1.2822735815128108
Energy: 1.23667668346259
Energy: 1.2819030470395552
Energy: 1.308299668656613
Energy: 1.2704013592354542
Energy: 1.2300292768051375
Energy: 1.4901293284150166
Energy: 1.27229953595969
Energy: 1.2287920555794491
Energy: 1.4669257537577938
Energy: 1.278813837573064
Energy: 1.2747776619089144
Energy: 1.2827784217072042
Energy: 1.279198258143301
Energy: 1.2408241640115676
Energy: 1.2842457493306798
Energy: 1.3001024797182932
Energy: 1.2722740634180412
Energy: 1.3130608014751228
Energy: 1.3053269200503117
Energy: 1.2999169521940848
Energy: 1.2766832180057446
Energy: 1.2857281478160243
Energy: 1.2764412891312484
Energy: 1.2910771163806567
Energy: 1.2742424450466865
Energy: 1.3213488905712492
Energy: 1.2976104631892926
Energy: 1.2119976021418946
Energy: 1.3098483196170958
Energy: 1.1501499829132527
Energy: 1.2374048849774921
Energy: 1.3305092192444887
Energy: 1.2763017784921245
Energy: 1.2342616876440213
Energy: 1.2390076794021654
Energy: 1.2331880979230636
Energy: 1.2289324656156337
Energy: 1.1941674714470416
Energy: 1.475219606871487
Energy: 1.29040652310263
Energy: 1.2793627445564457
Energy: 1.2776309388205789
Energy: 1.2893498002275232
Energy: 1.2302925347486253
Energy: 1.2298199305503204
Energy: 1.2345459532172698
Energy: 1.1497889864597972
Energy: 1.2119423248466703
Energy: 1.317981964442942
Energy: 1.2770228555595557
Energy: 1.1914661688523702
Energy: 1.207723561358716
Energy: 1.2078854393709229
Energy: 1.155076497667615
Energy: 1.1503531397862252
Energy: 1.2373561197563714
Energy: 1.1494288731040316
Energy: 1.1531363239998307
Energy: 1.2619014146324032
Energy: 1.1800719666233597
Energy: 1.1495302898210227
Energy: 1.2857091381702859
Energy: 1.2770484019707482
Energy: 1.1497911860398728
Energy: 1.14915530669916
Energy: 1.3835697635048116
Energy: 1.2276429311666432
Energy: 1.2379176759380612
Energy: 1.4736644363804132
Energy: 1.2335292168058034
Energy: 1.2347676061939628
Energy: 1.2802687138847422
Energy: 1.3529967904039237
Energy: 1.1916604422900696
Energy: 1.213703154308124
Energy: 1.2804633301714732
Energy: 1.2365880263116993
Energy: 1.2289978431590085
Energy: 1.310822679936008
Energy: 1.193971355468602
Energy: 1.285897756060761
Energy: 1.2802335135197562
Energy: 1.2777379824433566
Energy: 1.2464254110938597
Energy: 1.2005602866507834
Energy: 1.31313415810256
Energy: 1.2118772721167073
Energy: 1.2973407498232234
Energy: 1.2767117946625737
Energy: 1.2810289803878359
Energy: 1.27988253082145
Energy: 1.2013564334608722
Energy: 1.3665931017579496
Energy: 1.3137804009845757
Energy: 1.2727390920214199
Energy: 1.3367383534128843
Energy: 1.276942163561068
Energy: 1.2597558435017646
Energy: 1.3672323887425646
Energy: 1.2012016228321507
Energy: 1.2323209738442693
Energy: 1.2858929349224333
Energy: 1.2820911577960352
Energy: 1.2293334881068712
Energy: 1.2713036922155185
Energy: 1.3101956353742021
Energy: 1.2291698902265449
Energy: 1.2309327144962796
Energy: 1.4649944594212667
Energy: 1.3492046452214974
Energy: 1.2787234690745897
Energy: 1.2893177291789193
Energy: 1.304031882450303
Energy: 1.2358451301702267
Energy: 1.2833850358803685
Energy: 1.4999166813910347
Energy: 1.235852949792459
Energy: 1.2825380831009274
Energy: 1.304204852460235
Energy: 1.3269897734184473
Energy: 1.284156762221061
Energy: 1.3279049263870295
Energy: 1.2824941867522412
Energy: 1.2364368877779155
Energy: 1.201306849750243

minimum gb energy = 1.14915530669916 eV
minimum distance =  2.29714653952614 Angstroms
sigma value = 33