Model name: model_name=EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000084042549
cohesive_energy=3.540278406876014
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-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: 0.013654756243315504
Energy: 0.014286942575771866
Energy: 0.01412903357004169
Energy: 0.013856370288912295
Energy: 0.4258936986525141
Energy: 0.01401115811421164
Energy: 0.014286942575771866
Energy: 0.09808527976081455
Energy: 0.09950668419734221
Energy: 0.09816721825556586
Energy: 0.09817437501541233
Energy: 0.09930844369355284
Energy: 0.014129033569449318
Energy: 0.09950668419762099
Energy: 0.09912849328969474
Energy: 0.014157505161760767
Energy: 0.09818986401962818
Energy: 0.09882207851019674
Energy: 0.013856370288633532
Energy: 0.09816721825525225
Energy: 0.01415750516085479
Energy: 0.01393804591048916
Energy: 0.09813643778157677
Energy: 0.014033192743803836
Energy: 0.42589369865282767
Energy: 0.09817437501541233
Energy: 0.0981898640260397
Energy: 0.09813643778216913
Energy: 0.09814560089636686
Energy: 0.09805538914311254
Energy: 0.01401115811421164
Energy: 0.09930844369201965
Energy: 0.09882207850960437
Energy: 0.014033192743803836
Energy: 0.09805538914157934
Energy: 0.014098381825138388

minimum gb energy = 0.013654756243315504 eV
minimum distance =  2.55236434509377 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.1985971820404386
Energy: 0.7816253829363202
Energy: 0.8025993248442977
Energy: 0.7307452081544096
Energy: 1.1323403897432587
Energy: 0.8026773311708562
Energy: 1.1213218032735204
Energy: 0.7424788672476496
Energy: 0.7484539839230834
Energy: 0.7451163948129993
Energy: 0.7491045736597444
Energy: 0.7576257228115799
Energy: 0.7879110661516856
Energy: 0.7480734322450351
Energy: 0.7601375423496606
Energy: 0.7624113964108239
Energy: 0.7478258223969588
Energy: 0.7475086445533151
Energy: 1.1939603143502104
Energy: 0.7487817043333163
Energy: 0.7520725138034199
Energy: 0.7482650722003966
Energy: 0.7476404967069723
Energy: 0.7534437751271231
Energy: 1.0820400469851943
Energy: 0.7564069315523004
Energy: 0.7561131302132211
Energy: 0.7441928093194785
Energy: 0.757373257000686
Energy: 0.7549179522048526
Energy: 1.0785046221699819
Energy: 0.7671577310660572
Energy: 0.7594034276925141
Energy: 0.7410532800839695
Energy: 0.7605504832321446
Energy: 0.7603683055565233
Energy: 1.0805025429223913
Energy: 0.760854542632455
Energy: 0.7612681127847738
Energy: 0.750651383846018
Energy: 0.7533053071105072
Energy: 0.7600385668224238
Energy: 1.039583191662049
Energy: 0.7603856091753544
Energy: 0.7612628622513002
Energy: 0.7075182966302661
Energy: 0.7597990793905852
Energy: 0.7613114361655232
Energy: 0.8778457766450654
Energy: 0.7530996042326038
Energy: 0.7511591469729739
Energy: 0.7603516138396625
Energy: 0.7517647272105755
Energy: 0.7581651061365514
Energy: 0.8723733161353122
Energy: 0.7579344491555989
Energy: 0.7564699495763207
Energy: 0.7482437415493544
Energy: 0.7446452153518166
Energy: 0.7567089297495001
Energy: 0.8650651543322694
Energy: 0.7476350089038395
Energy: 0.7462765108332985
Energy: 0.781821842258095
Energy: 0.7468755705844907
Energy: 0.7508791409254831
Energy: 0.7813867911667989
Energy: 0.7561220795000986
Energy: 0.7492076806049135
Energy: 0.7472314753164512
Energy: 0.7608254696732073
Energy: 0.7548662994407218
Energy: 0.7805202363032325
Energy: 0.7454178374026134
Energy: 0.7454197442721786
Energy: 0.7556573559419378
Energy: 0.7582981635750372
Energy: 0.7582525565039759
Energy: 0.8426232336954959
Energy: 0.7457940973871097
Energy: 0.7522955198691443
Energy: 0.7614327638181486
Energy: 0.7471083489504675
Energy: 0.7458591733465479
Energy: 0.8094074282878142
Energy: 0.7443136151106514
Energy: 0.7549820901629588
Energy: 0.7656641277665895
Energy: 0.7438904756479998
Energy: 0.7492913518696681
Energy: 0.8133895842807527
Energy: 0.7540276063896564
Energy: 0.7475184161788301
Energy: 0.7626415598212546
Energy: 0.7644818085973469
Energy: 0.7553004351594022
Energy: 1.0001954512113707
Energy: 0.7589460379519103
Energy: 0.7589273580648469
Energy: 0.7417372792050795
Energy: 0.7588490789587224
Energy: 0.7554423868114207
Energy: 0.9752158045384473
Energy: 0.7659905797774229
Energy: 0.764178879286702
Energy: 0.7622089178281571
Energy: 0.7448777865298435
Energy: 0.7640237178830581
Energy: 0.9771129133177429
Energy: 0.7637994284592425
Energy: 0.7643144061808126
Energy: 0.7477796892989437
Energy: 0.7631623048443824
Energy: 0.7636328061049185
Energy: 1.0330587493671723
Energy: 0.7637958463400124
Energy: 0.7644628257838816
Energy: 0.7456455307944747
Energy: 0.7548991020495095
Energy: 0.7636260009463538
Energy: 1.1259363931891746
Energy: 0.7510889622083649
Energy: 0.7471154678034726
Energy: 0.74665614555445
Energy: 0.7416203086994767
Energy: 0.748847127828959
Energy: 1.1288616392992092
Energy: 0.7663457132410284
Energy: 0.7612331820231716
Energy: 0.7610626835494854
Energy: 0.7656129640512382
Energy: 0.7482272247979251
Energy: 1.1209885654857337
Energy: 0.7514191183391387
Energy: 0.7568560276269911
Energy: 0.7516303570335855
Energy: 0.7432863462559479
Energy: 0.7566528885709403

minimum gb energy = 0.7075182966302661 eV
minimum distance =  2.37053937174483 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.4752727451966154
Energy: 0.8379999745097961
Energy: 0.7984780601395508
Energy: 0.7919434598582177
Energy: 0.7854905249768493
Energy: 0.8306356690492068
Energy: 0.9668148730163841
Energy: 0.763372132284631
Energy: 0.7601105998956897
Energy: 0.7949025813723258
Energy: 0.8098975387935595
Energy: 0.7843683503600989
Energy: 1.0763648429153845
Energy: 0.7946831629220679
Energy: 0.7878918510822119
Energy: 0.8217444935704689
Energy: 0.8076833111114488
Energy: 0.8113968747550693
Energy: 1.167698030807905
Energy: 0.853683412937117
Energy: 0.7969146326844212
Energy: 0.7987081298345707
Energy: 0.8153797470226037
Energy: 0.8029772554883491
Energy: 1.0700976730752485
Energy: 0.8037269402591558
Energy: 0.8021692925752283
Energy: 0.79569765850943
Energy: 0.804750429872526
Energy: 0.7943886694893431
Energy: 1.159791670958187
Energy: 0.7863511721166978
Energy: 0.7857539956672983
Energy: 0.7586020111885738
Energy: 0.7776958732580186
Energy: 0.8515718204747372
Energy: 1.1587666169472286
Energy: 0.8087882277644641
Energy: 0.8105183996034413
Energy: 0.8191967470445788
Energy: 0.8178904245210664
Energy: 0.8080183528839755
Energy: 1.0254393150292334
Energy: 0.8187433163361135
Energy: 0.8231080375003206
Energy: 0.7983593550314789
Energy: 0.8182899468983532
Energy: 0.8255030314337077
Energy: 0.9493488202988939
Energy: 0.8194370069664055
Energy: 0.8442483325208866
Energy: 0.8651056741916013
Energy: 0.8207596170657743
Energy: 0.8538049266368944
Energy: 0.9488229554467008
Energy: 0.851615282021989
Energy: 0.8505624502765832
Energy: 0.824499889671391
Energy: 0.8482006178083603
Energy: 0.8445047180079052
Energy: 0.9426843780603582
Energy: 0.7419272124586065
Energy: 0.7417016504984594
Energy: 0.7989138550105784
Energy: 0.7420900001155607
Energy: 0.7418004208312106
Energy: 0.8734065033778503
Energy: 0.7844231405208821
Energy: 0.8226159408733423
Energy: 0.8403486491171119
Energy: 0.7831758880646325
Energy: 0.8173735476080984
Energy: 0.8717164526977105
Energy: 0.8319020051352988
Energy: 0.8466628113592195
Energy: 0.857520619084789
Energy: 0.8301572764566406
Energy: 0.8475053676796742
Energy: 0.933221732878459
Energy: 0.7994786601298308
Energy: 0.8028112721761481
Energy: 0.8533017127762594
Energy: 0.7987353781184837
Energy: 0.787145678732892
Energy: 0.9414253273214219
Energy: 0.849312798271774
Energy: 0.850716023582836
Energy: 0.8641796591503187
Energy: 0.8490223121372626
Energy: 0.8391289069876235
Energy: 0.9374236767622415
Energy: 0.8424956109173845
Energy: 0.8466666747019124
Energy: 0.8656094418330781
Energy: 0.8439887364526866
Energy: 0.8480607064423836
Energy: 1.083745137686158
Energy: 0.8392826273828607
Energy: 0.8396585154277407
Energy: 0.8476958950044909
Energy: 0.8393797516702404
Energy: 0.8393735487140848
Energy: 1.0250052756304926
Energy: 0.8550542654419775
Energy: 0.8554464649303833
Energy: 0.818693367662117
Energy: 0.8735459977728313
Energy: 0.8237692574617704
Energy: 1.026728554250478
Energy: 0.8602361898273156
Energy: 0.8611398160782519
Energy: 0.8189664029733764
Energy: 0.8613903421817445
Energy: 0.8529236773954663
Energy: 0.9839387632789363
Energy: 0.8623705881639259
Energy: 0.8624350392339726
Energy: 0.8537763050762301
Energy: 0.8686277198175061
Energy: 0.8698601998961558
Energy: 1.227497445106247
Energy: 0.8620284282910096
Energy: 0.8167940019034091
Energy: 0.8174358177751271
Energy: 0.8621974162431306
Energy: 0.8167240035820835
Energy: 0.9606654517533351
Energy: 0.8405993032694069
Energy: 0.8323611420189286
Energy: 0.847877227952535
Energy: 0.8600719489789246
Energy: 0.8520409062231323
Energy: 1.109573601347921
Energy: 0.8556467727620398
Energy: 0.836302677193703
Energy: 0.8611337762949769
Energy: 0.8575048136129514
Energy: 0.8514955501363372
Energy: 1.1718180232423592
Energy: 0.8557965411486524
Energy: 0.8628040300941403
Energy: 0.7927879110142144
Energy: 0.8702799939523308
Energy: 0.8117282740293815
Energy: 1.110042094006379
Energy: 0.8608714763323196
Energy: 0.8369030362917458
Energy: 0.8450171435990048
Energy: 0.8600254283124833
Energy: 0.8525917453788319
Energy: 1.0664022920942529
Energy: 0.831015549385603
Energy: 0.8496586934029421
Energy: 0.8514289742212184
Energy: 0.8460002716646287
Energy: 0.8520855693371915
Energy: 1.1629072815575194
Energy: 0.8330782154634064
Energy: 0.8329178784672345
Energy: 0.8327315940281669
Energy: 0.8273462148917604
Energy: 0.8329929565068132
Energy: 1.0683373579004494
Energy: 0.8225797642887159
Energy: 0.8232162883712767
Energy: 0.8513133573479739
Energy: 0.8184579716498025
Energy: 0.8527293134471822
Energy: 0.9500428550399856
Energy: 0.8183725245135514
Energy: 0.8175250316058363
Energy: 0.8501110641370047
Energy: 0.8187789283058435
Energy: 0.8480485003888448
Energy: 0.9562306508249118
Energy: 0.8511796728200306
Energy: 0.8490937717440844
Energy: 0.8484408802319147
Energy: 0.8468815282872272
Energy: 0.8497601811544307
Energy: 0.9369958965100854
Energy: 0.7415631766061287
Energy: 0.7413148770541642
Energy: 0.8351371012940155
Energy: 0.7416805364526238
Energy: 0.741439797582648
Energy: 0.8708017473183077
Energy: 0.7580010767698092
Energy: 0.7400947201756077
Energy: 0.8426385922940639
Energy: 0.7847417525015701
Energy: 0.8116035013619082
Energy: 0.8726999773271954
Energy: 0.8394565319743494
Energy: 0.8425975295382566
Energy: 0.8539616145068148
Energy: 0.8167988640624145
Energy: 0.8308057467640907
Energy: 0.872550683807547
Energy: 0.7947835820132125
Energy: 0.7954846274186215
Energy: 0.8401339035472991
Energy: 0.7986329602955385
Energy: 0.789332954385465
Energy: 0.9366222866547131
Energy: 0.8345059187232031
Energy: 0.8362032498817514
Energy: 0.8641846522215487
Energy: 0.8344709461323998
Energy: 0.8263117489198382
Energy: 0.9359493320121941
Energy: 0.8468819885780847
Energy: 0.7825136974724696
Energy: 0.8674733339588573
Energy: 0.8761140256909414
Energy: 0.8479659188413787
Energy: 0.9366027198049308
Energy: 0.7789606374988368
Energy: 0.7771761095577044
Energy: 0.7943951233267922
Energy: 0.7791313618824769
Energy: 0.7805889510507381
Energy: 1.0240348099808614
Energy: 0.8684732737297525
Energy: 0.8080979638901998
Energy: 0.8206248593945583
Energy: 0.8042856146664433
Energy: 0.8104903937034198
Energy: 1.0241430206620235
Energy: 0.8035980891132836
Energy: 0.813681385919598
Energy: 0.8182319267826559
Energy: 0.8137327190176136
Energy: 0.8239870140097861
Energy: 1.0697994641090036
Energy: 0.802988683939633
Energy: 0.8039025775984291
Energy: 0.7945121353465493
Energy: 0.8038708018075622
Energy: 0.808676497219634
Energy: 1.2102012640398494
Energy: 0.7521203671323969
Energy: 0.756345962906117
Energy: 0.7556625460257932
Energy: 0.7578292557941851
Energy: 0.792177255164087

minimum gb energy = 0.7400947201756077 eV
minimum distance =  2.3403560293561 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2432414751474306
Energy: 0.7789690612510628
Energy: 0.7780052334508766
Energy: 0.7756324040140369
Energy: 0.7647758276110053
Energy: 0.8232247856237797
Energy: 1.0182680155647728
Energy: 0.8021699986822296
Energy: 0.7896150765275323
Energy: 0.7547762165820587
Energy: 0.8019317682860827
Energy: 0.7749112394428207
Energy: 1.119536114445272
Energy: 0.8023051371956995
Energy: 0.7747109090277086
Energy: 0.7750456434337748
Energy: 0.8026856459507387
Energy: 0.7986039959380982
Energy: 1.1157529687570433
Energy: 0.7753320276834462
Energy: 0.775527376206453
Energy: 0.7859840602875746
Energy: 0.7755402779505346
Energy: 0.7864197660771376
Energy: 0.9516175136803664
Energy: 0.8087834474682533
Energy: 0.8079794446468225
Energy: 0.7691919695257747
Energy: 0.798134725559722
Energy: 0.8072865804777004
Energy: 0.9509234837724071
Energy: 0.8072344413567124
Energy: 0.8073513996462393
Energy: 0.7982316627459897
Energy: 0.8066219319632834
Energy: 0.8071871797995266
Energy: 0.9511241769037422
Energy: 0.7688530004668466
Energy: 0.7682668570472488
Energy: 0.7980882859013811
Energy: 0.7550252376592554
Energy: 0.8067224687991411
Energy: 0.9368989684958723
Energy: 0.7742302024169159
Energy: 0.7747799545205213
Energy: 0.7921019263910728
Energy: 0.7738596581611268
Energy: 0.774627098293973
Energy: 0.8030608428120317
Energy: 0.7783666679263895
Energy: 0.7790856336939418
Energy: 0.8028514274733466
Energy: 0.7792832578735376
Energy: 0.7953629411788347
Energy: 0.8020519644257482
Energy: 0.7783131568265843
Energy: 0.7767449163815457
Energy: 0.8021717102958651
Energy: 0.7788891296619253
Energy: 0.789436896061039
Energy: 0.8202134386195333
Energy: 0.775435169077209
Energy: 0.7741998827504911
Energy: 0.7808228233363147
Energy: 0.7777908426677391
Energy: 0.7749900061868296
Energy: 0.8375011453809698
Energy: 0.7788560724834845
Energy: 0.7787445498759542
Energy: 0.7854480450044738
Energy: 0.7757538790436996
Energy: 0.8086503412840459
Energy: 0.8371735487160431
Energy: 0.7864469893040996
Energy: 0.7960970975082657
Energy: 0.8061746066198866
Energy: 0.7780886556272183
Energy: 0.7958907999725814
Energy: 0.8381956597310402
Energy: 0.788482589519075
Energy: 0.7884168791192947
Energy: 0.7752848774483998
Energy: 0.7883595978582755
Energy: 0.7884858258477879
Energy: 1.016477267509762
Energy: 0.7785494786578426
Energy: 0.7777690428195045
Energy: 0.788858786284459
Energy: 0.7871203517203865
Energy: 0.77801528410842
Energy: 1.018267205150556
Energy: 0.8091003228174025
Energy: 0.7881522282795793
Energy: 0.790959647073197
Energy: 0.8089023174143134
Energy: 0.792053129119225
Energy: 1.0256275779456623
Energy: 0.8082283187556907
Energy: 0.8074860861320018
Energy: 0.8063922833603981
Energy: 0.8084781673462736
Energy: 0.7960847043270665
Energy: 1.2112002253978047
Energy: 0.7864085973760716
Energy: 0.7920125224690919
Energy: 0.7732027017585996
Energy: 0.7860833119731786
Energy: 0.7775896182928678

minimum gb energy = 0.7547762165820587 eV
minimum distance =  2.37043773383123 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0504038902694113
Energy: 0.7689001090938996
Energy: 0.7689657542215361
Energy: 0.8491367583486766
Energy: 0.7476612633781355
Energy: 0.7682158843149208
Energy: 1.0556023329232176
Energy: 0.7478897508241521
Energy: 0.7477998482933981
Energy: 0.7757792689340426
Energy: 0.7477226405116035
Energy: 0.7478410157392684
Energy: 0.8947161855190644
Energy: 0.7480281209111007
Energy: 0.7479741673550502
Energy: 0.7811671785848449
Energy: 0.7479628927072919
Energy: 0.7477681783150614
Energy: 0.8902231896699945
Energy: 0.7481764273530348
Energy: 0.7476671851774952
Energy: 0.771500691866172
Energy: 0.7475136487619826
Energy: 0.7477960723949147
Energy: 0.8965981497379738
Energy: 0.7477716286191778
Energy: 0.7750647103034913
Energy: 0.7760217437673478
Energy: 0.7476474164737229
Energy: 0.7754891247448376
Energy: 0.8968798177623478
Energy: 0.7267649841501109
Energy: 0.7744879703993067
Energy: 0.7765634844618924
Energy: 0.7267774248995313
Energy: 0.7751699864496995
Energy: 0.8964161846111944
Energy: 0.7752427102971045
Energy: 0.774958396057601
Energy: 0.776547661103676
Energy: 0.7343306787629301
Energy: 0.7759715270388774
Energy: 0.8423095271235921
Energy: 0.7348387709538264
Energy: 0.7345195500952458
Energy: 0.748452728292056
Energy: 0.7438514842022501
Energy: 0.7277700404070544
Energy: 0.7478527347537567
Energy: 0.7351890724410691
Energy: 0.727479400499239
Energy: 0.7478553686583758
Energy: 0.7346100479297905
Energy: 0.7267877668942266
Energy: 0.7488677457800968
Energy: 0.748366557828111
Energy: 0.7479640528324403
Energy: 0.7480098863601428
Energy: 0.7809247245495818
Energy: 0.7478770156747592
Energy: 0.7461750543262945
Energy: 0.7720456608153464
Energy: 0.7724207267184404
Energy: 0.747145196199776
Energy: 0.7728070496075352
Energy: 0.747626921300186
Energy: 0.8951690324668929
Energy: 0.776691136172328
Energy: 0.7745681966732038
Energy: 0.7474422753438268
Energy: 0.7807933613887278
Energy: 0.747658736565276
Energy: 0.7265576346113167
Energy: 0.7756809204950326
Energy: 0.7758680253229814
Energy: 0.7288403115221058
Energy: 0.7765262623020018
Energy: 0.7761181295211617
Energy: 0.896073239130539
Energy: 0.7755470252331887
Energy: 0.7755827332013191
Energy: 0.7478383742289016
Energy: 0.7755609146084693
Energy: 0.7753850892309758
Energy: 1.0552238460447145
Energy: 0.7478298527388644
Energy: 0.7479118663238883
Energy: 0.7347574384272025
Energy: 0.7476686619534979
Energy: 0.7272365668609221
Energy: 1.0523052855691089
Energy: 0.7495835984239738
Energy: 0.728216074096293
Energy: 0.7287896715641637
Energy: 0.7479797239517214
Energy: 0.734400025676176
Energy: 0.896763716467555
Energy: 0.747830544370011
Energy: 0.7478888412855685
Energy: 0.7755873263197913
Energy: 0.7479209125551282
Energy: 0.747913770728037
Energy: 0.8915273879536222
Energy: 0.7477152232734671
Energy: 0.7478238801414854
Energy: 0.771498104819239
Energy: 0.7477926108633054
Energy: 0.7478326044136226
Energy: 0.8887184291727259
Energy: 0.7480677909327109
Energy: 0.7479589139134308
Energy: 0.7715646191086041
Energy: 0.7480441052352685
Energy: 0.7479718723969903
Energy: 0.8960684704569893
Energy: 0.7267209837159561
Energy: 0.775546223990922
Energy: 0.7751540304107328
Energy: 0.7265783976285097
Energy: 0.7740990890812047
Energy: 0.8923284056270757
Energy: 0.7749347067230434
Energy: 0.7750480362569704
Energy: 0.776659711488295
Energy: 0.747745324163054
Energy: 0.7753971793078477
Energy: 0.8957732159855579
Energy: 0.7752977544007449
Energy: 0.7748728878807787
Energy: 0.7748973620788359
Energy: 0.7345591642612048
Energy: 0.7747519973597529
Energy: 0.8441966677450796
Energy: 0.7287426625040293
Energy: 0.7280318506940047
Energy: 0.8444377060506429
Energy: 0.7278417925800635
Energy: 0.7269474099557566
Energy: 0.7478058391547863
Energy: 0.7489227932212019
Energy: 0.7480092750928199
Energy: 0.7476882496093421
Energy: 0.7671438106920271
Energy: 0.7478251524466049
Energy: 0.7478655939299517
Energy: 0.7574788449340347
Energy: 0.7479870306066372
Energy: 0.7480035450521443
Energy: 0.7810778769722448
Energy: 0.7478794055421262
Energy: 0.8454461968510941
Energy: 0.7719695068036072
Energy: 0.7728863964737265
Energy: 0.8451279622059013
Energy: 0.7715128150215003
Energy: 0.7476633291457937
Energy: 0.8957690809369996
Energy: 0.7751001056442282
Energy: 0.7753856699586233
Energy: 0.7477448151818968
Energy: 0.7765967855574417
Energy: 0.7751304216387914
Energy: 0.7266106779852499
Energy: 0.7766067261588756
Energy: 0.7755813641547623
Energy: 0.726716363591115
Energy: 0.7766226295859594
Energy: 0.773964262676353
Energy: 0.8447908252020675
Energy: 0.7763534182007722
Energy: 0.77578084877365
Energy: 0.7348047956634327
Energy: 0.7767618677864632
Energy: 0.7754689025609468
Energy: 1.053826634019717
Energy: 0.7481542617442527
Energy: 0.7267452383726482
Energy: 0.7419157710904746
Energy: 0.7479548725802981
Energy: 0.7355537206668016

minimum gb energy = 0.7265576346113167 eV
minimum distance =  2.39968824356535 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.8964706929533673
Energy: 0.7923728996780346
Energy: 0.8985141404289507
Energy: 0.7541767920227422
Energy: 0.7207207207676759
Energy: 0.7905767502835319
Energy: 0.7856884648712316
Energy: 0.7524965302412363
Energy: 0.7035853513046311
Energy: 0.7084754976098061
Energy: 0.7524018896122301
Energy: 0.6724776910028277
Energy: 0.8031105163068107
Energy: 0.7533581972475439
Energy: 0.703419208257656
Energy: 0.6727434089753104
Energy: 0.7535632611954193
Energy: 0.7053320276376712
Energy: 0.7039503944611565
Energy: 0.7044580510652202
Energy: 0.7052054929703138
Energy: 0.6959084235260786
Energy: 0.7202203475845883
Energy: 0.7032855404735515
Energy: 0.8770730267564685
Energy: 0.6843368284448551
Energy: 0.6939156629281044
Energy: 0.7535496277190638
Energy: 0.6871389864511767
Energy: 0.695127102194104
Energy: 0.7524997731627212
Energy: 0.6851951880509672
Energy: 0.6841628473411396
Energy: 0.7525246524566006
Energy: 0.6887390596395928
Energy: 0.6838679662076034
Energy: 0.7535775100573248
Energy: 0.6950690479884881
Energy: 0.6941031796399761
Energy: 0.753841502755267
Energy: 0.7076974122957217
Energy: 0.7044030327733212
Energy: 0.7533759161050837
Energy: 0.6905788221535709
Energy: 0.6907261330397522
Energy: 0.7535557512813889
Energy: 0.6904011894688786
Energy: 0.6911855506604855
Energy: 0.8031812154167361
Energy: 0.6900653191349702
Energy: 0.6722138519999215
Energy: 0.7527227890009109
Energy: 0.690674327088673
Energy: 0.7031071004452784
Energy: 0.7021378705339116
Energy: 0.7255616475699539
Energy: 0.7256457236240895
Energy: 0.7399458283062099
Energy: 0.6954420596809359
Energy: 0.7341828374414766
Energy: 0.8034070447758449
Energy: 0.741312325375685
Energy: 0.7392076986662534
Energy: 0.704775375414881
Energy: 0.7410571005177431
Energy: 0.7381663420686064
Energy: 0.7856884644435247
Energy: 0.7035522536991979
Energy: 0.7030889422536895
Energy: 0.7087522627997586
Energy: 0.7534435623370751
Energy: 0.6724241987799434

minimum gb energy = 0.6722138519999215 eV
minimum distance =  2.41790938241371 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4935411178803328
Energy: 0.6468873484429886
Energy: 0.6254768106091082
Energy: 0.650347893249368
Energy: 0.7118783625358953
Energy: 0.6543287387219514
Energy: 0.6302205701368151
Energy: 0.6530566077025294
Energy: 0.6482606130995866
Energy: 0.6345301232605871
Energy: 0.6528157101001223
Energy: 0.6360746206177865
Energy: 0.6850624351283902
Energy: 0.6530937246892534
Energy: 0.6532937664449048
Energy: 0.6511047715295255
Energy: 0.6540078865344849
Energy: 0.64721406151786
Energy: 0.6874011136121562
Energy: 0.6151196545189406
Energy: 0.6146991532329634
Energy: 0.6484891151462665
Energy: 0.6606462198615162
Energy: 0.6146357838801204
Energy: 0.725631934049676
Energy: 0.6337455031528816
Energy: 0.6655744632014318
Energy: 0.6629276241439348
Energy: 0.6334074099939491
Energy: 0.6447880509477728
Energy: 0.663455804060458
Energy: 0.6279308627747788
Energy: 0.6647553596327772
Energy: 0.6635457586384363
Energy: 0.6342287834378739
Energy: 0.6365990367177009
Energy: 0.663198292236043
Energy: 0.6152865684936718
Energy: 0.6145715943730592
Energy: 0.6642777594756839
Energy: 0.6348200058170174
Energy: 0.6688283992662465
Energy: 0.6654160294419752
Energy: 0.6413681296552071
Energy: 0.6473814911385208
Energy: 0.6629868531569267
Energy: 0.641467354883583
Energy: 0.6329090070258896
Energy: 0.7858143883389432
Energy: 0.6476391044289973
Energy: 0.6695197506367716
Energy: 0.6678589828229745
Energy: 0.6514797939106004
Energy: 0.6529016220514904
Energy: 0.6351892366067019
Energy: 0.6159428918080316
Energy: 0.6178034264963485
Energy: 0.6334553557948291
Energy: 0.6562902891461628
Energy: 0.6150357776585806
Energy: 0.6285299794907737
Energy: 0.6633549601105154
Energy: 0.6684067606519042
Energy: 0.6431532811184123
Energy: 0.6633276111464634
Energy: 0.665968751545865
Energy: 0.7994507572327311
Energy: 0.6638089678796683
Energy: 0.663824585048736
Energy: 0.6258840204964919
Energy: 0.663821547477987
Energy: 0.6453075314355368
Energy: 0.9138111256132254
Energy: 0.791527655135059
Energy: 0.6129060738390704
Energy: 0.6168800227144373
Energy: 0.6494740377120128
Energy: 0.6162890115299068
Energy: 0.7958093174179844
Energy: 0.6636366969245566
Energy: 0.6444259795212489
Energy: 0.6259500302895027
Energy: 0.6631770236399818
Energy: 0.6455429390088268
Energy: 0.6531719018047621
Energy: 0.6459617247611034
Energy: 0.6458283621474337
Energy: 0.653245937308089
Energy: 0.6476592856287897
Energy: 0.6881664616701467
Energy: 0.6533346424368703
Energy: 0.6351339237439955
Energy: 0.6522760477835821
Energy: 0.6539200555023402
Energy: 0.6507753012080836
Energy: 0.6468370452985592
Energy: 0.6519616989461686
Energy: 0.6245760748008913
Energy: 0.6435866172017188
Energy: 0.6518094447012961
Energy: 0.6246767017740362
Energy: 0.6357948595908144
Energy: 0.6860647669186105
Energy: 0.6141609923476001
Energy: 0.6432244974124018
Energy: 0.6513799935989532
Energy: 0.6424863792957552
Energy: 0.646376642452325
Energy: 0.6853573932868325
Energy: 0.632895376695695
Energy: 0.6331611658545848
Energy: 0.6524277333587892
Energy: 0.6430309569201347
Energy: 0.6299548853821743
Energy: 0.6849150840297569
Energy: 0.6430859306343172
Energy: 0.6353304610293552
Energy: 0.6421278134902666
Energy: 0.6421612599020211
Energy: 0.6382112772742088
Energy: 0.684789378769577
Energy: 0.6549891674617736
Energy: 0.6335845062310357
Energy: 0.6571159220176312
Energy: 0.653781023024453
Energy: 0.6375507095800315
Energy: 0.7261249178078194
Energy: 0.6690828543778646
Energy: 0.6440064429603563
Energy: 0.6348373840019172
Energy: 0.6523210477148864
Energy: 0.607890792585884
Energy: 0.7235414182339407
Energy: 0.6521431338111972
Energy: 0.6500490922389276
Energy: 0.6342764766146454
Energy: 0.6521807287930957
Energy: 0.6083288463341691
Energy: 0.6846250873888167
Energy: 0.6556933306334796
Energy: 0.6555172938994841
Energy: 0.6582646344119171
Energy: 0.6536843645354594
Energy: 0.6465990613549553
Energy: 0.9197536112595891
Energy: 0.6653874943332763
Energy: 0.6453457311431867
Energy: 0.6489248885570642
Energy: 0.6545132302693891
Energy: 0.6473463077757093
Energy: 0.684113161457701
Energy: 0.6255767898603984
Energy: 0.6150803157112474
Energy: 0.6644100649504076
Energy: 0.6259720586033031
Energy: 0.6458171469128149
Energy: 0.6320102934771122
Energy: 0.642063587117951
Energy: 0.6176974587183635
Energy: 0.6323950209639642
Energy: 0.6444096184262411
Energy: 0.6415114851285231
Energy: 0.6634908327264076
Energy: 0.6149175972736888
Energy: 0.615217211553087
Energy: 0.6637157386641332
Energy: 0.6258907646008564
Energy: 0.6672997857809411
Energy: 0.6633883656947673
Energy: 0.6396106962623807
Energy: 0.6675272495047292
Energy: 0.6636393010520605
Energy: 0.6401131885802391
Energy: 0.6691514174035149
Energy: 0.669228046456301
Energy: 0.6444244611068034
Energy: 0.6467418346963918
Energy: 0.6556363344701098
Energy: 0.641691365536977
Energy: 0.6184322263111193
Energy: 0.6284940426244443
Energy: 0.6243720368168586
Energy: 0.6493088788832369
Energy: 0.6421833422466334
Energy: 0.6484897898199826
Energy: 0.6696294314203534
Energy: 0.6329317300788992
Energy: 0.6630386810472166
Energy: 0.6397438225883557
Energy: 0.6333567556558144
Energy: 0.6627664918416627
Energy: 0.6152066231507445
Energy: 0.7982093069457878
Energy: 0.663715493503094
Energy: 0.6632238195155377
Energy: 0.6590490270482635
Energy: 0.6653340455758957
Energy: 0.6148438528733354
Energy: 0.6805120591392416
Energy: 0.6634438137722636
Energy: 0.6638884471445905
Energy: 0.6410520606878392
Energy: 0.6632694692579868
Energy: 0.6175586853415872
Energy: 0.6770740277472695
Energy: 0.6451339911661533
Energy: 0.6469413439833864
Energy: 0.6403423666116246
Energy: 0.6629225123798308
Energy: 0.6454791091557945
Energy: 0.6793944639256981
Energy: 0.6463861838764247
Energy: 0.6446645345265039
Energy: 0.6532029032759747
Energy: 0.6499481039223401
Energy: 0.6199990052805531
Energy: 0.6537644460943448
Energy: 0.6508137513495674
Energy: 0.6469815526554498
Energy: 0.6533584280397867
Energy: 0.6485507739761235
Energy: 0.6476600854365674
Energy: 0.6520223671139462
Energy: 0.6317574401457736
Energy: 0.6315912192260072
Energy: 0.6522090064697526
Energy: 0.6371959098995061
Energy: 0.6530590763226652
Energy: 0.6816956162724914
Energy: 0.6137705297432564
Energy: 0.6142540451243632
Energy: 0.6347414781956794
Energy: 0.614261923675951
Energy: 0.6411559130608562
Energy: 0.6845765288441995
Energy: 0.6332418000971584
Energy: 0.6317551766589645
Energy: 0.6519206130677366
Energy: 0.6324977850050825
Energy: 0.6399592220633732
Energy: 0.6836690069874892
Energy: 0.6424760905860513
Energy: 0.6392273701829321
Energy: 0.6403587516032601
Energy: 0.6443631883321295
Energy: 0.6359888200175159
Energy: 0.685837505851315
Energy: 0.6444701728063331
Energy: 0.6453434748075949
Energy: 0.6544143985637333
Energy: 0.6436571109339185
Energy: 0.6434176610368609
Energy: 0.7236446795572046
Energy: 0.6523026282182117
Energy: 0.6403503511626846
Energy: 0.6342843028671488
Energy: 0.6524564651927006
Energy: 0.6082595813708308

minimum gb energy = 0.607890792585884 eV
minimum distance =  2.37261542227083 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.7066015781028006
Energy: 0.6468983165400036
Energy: 0.3296666298378084
Energy: 0.3275207905599625
Energy: 0.4945355919985104
Energy: 0.6660991868247632
Energy: 0.7075351717278194
Energy: 0.5171129667987532
Energy: 0.5076166826235151
Energy: 0.5176606478372741
Energy: 0.5173131674947343
Energy: 0.48916872432924824
Energy: 0.7167908284408203
Energy: 0.7889486291075865
Energy: 0.48876927194158415
Energy: 0.4883737346976682
Energy: 0.4883690364412633
Energy: 0.683320506634628
Energy: 0.7164519359043628
Energy: 0.49074563011940897
Energy: 0.5582280877663207
Energy: 0.5170249434116682
Energy: 0.6747495943159142
Energy: 0.4895232480899634
Energy: 0.7174238075859353
Energy: 0.45117013687389895
Energy: 0.449385491909836
Energy: 0.6812182591265853
Energy: 0.4518816292618071
Energy: 0.6789114165348277
Energy: 0.6876836607917466
Energy: 0.45201382919029914
Energy: 0.4544842375076398
Energy: 0.5002161451448945
Energy: 0.4539990879229862
Energy: 0.43141153141791777
Energy: 0.6887975185603004
Energy: 0.6727530536060542
Energy: 0.48933973229545014
Energy: 0.5063603846394418
Energy: 0.4843417660441053
Energy: 0.6769450582712176
Energy: 0.5465521140668353
Energy: 0.5559578331043163
Energy: 0.7643355673638003
Energy: 0.7058521001213197
Energy: 0.7646028851773476
Energy: 0.7182833455504755
Energy: 0.7500869303327723
Energy: 0.7264572128084719
Energy: 0.7252465424671168
Energy: 0.7040492621571254
Energy: 0.7028866232228853
Energy: 0.7287240521272387
Energy: 0.5836905929982077
Energy: 0.5026972493647747
Energy: 0.32971382152398243
Energy: 0.3273719062992743
Energy: 0.687240186696048
Energy: 0.5510545235396999
Energy: 0.5788429680317084
Energy: 0.7079422203827197
Energy: 0.6940984647021791
Energy: 0.3275981525547035
Energy: 0.6882262971595068
Energy: 0.5336098056434946
Energy: 0.558114144532555
Energy: 0.7069823768733747
Energy: 0.7113617001428418
Energy: 0.7107309348880311
Energy: 0.7034624675034419
Energy: 0.6682685401730685
Energy: 0.698515718043745
Energy: 0.48976194112500804
Energy: 0.674155884932576
Energy: 0.5669781332100027
Energy: 0.49109006747922374
Energy: 0.67664896317369
Energy: 0.6979295820033412
Energy: 0.6792875397616184
Energy: 0.5175053099351589
Energy: 0.5064976556811254
Energy: 0.548544843377063
Energy: 0.6799280000693825
Energy: 0.49009052024529715
Energy: 0.4520273822898386
Energy: 0.45485685484198507
Energy: 0.499661699070929
Energy: 0.4519597929213857
Energy: 0.4542916860358298
Energy: 0.7013135506670743
Energy: 0.48938600536860144
Energy: 0.5107130391159594
Energy: 0.5191919008646465
Energy: 0.4531859494402579
Energy: 0.6785667245481761
Energy: 0.7029425087427738
Energy: 0.6929106480288699
Energy: 0.501811957433218
Energy: 0.5196200366786585
Energy: 0.7076990250387848
Energy: 0.6851220611607197
Energy: 0.7164399451274782
Energy: 0.5246114733786784
Energy: 0.4892030657483697
Energy: 0.49070200226006583
Energy: 0.48897482146079235
Energy: 0.7663629856793321
Energy: 0.7077524619235547
Energy: 0.5169479152148503
Energy: 0.5054324508563837
Energy: 0.32751488006127394
Energy: 0.5191582698790878
Energy: 0.49006003867483916

minimum gb energy = 0.3273719062992743 eV
minimum distance =  2.36972489184356 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.0118112489173774
Energy: 0.5249048720463059
Energy: 0.6331726432810488
Energy: 0.5566979141538558
Energy: 0.5312006640857498
Energy: 0.6277787148185843
Energy: 0.5467095293163978
Energy: 0.5352549688366145
Energy: 0.5359006930068639
Energy: 0.5342863793237481
Energy: 0.5280035481708526
Energy: 0.5313895543321188
Energy: 0.5270215326400207
Energy: 0.5323179749848173
Energy: 0.5339578961326376
Energy: 0.5276126856091753
Energy: 0.5321659111097576
Energy: 0.5247836269188686
Energy: 0.5268616219496757
Energy: 0.5388551626684217
Energy: 0.5397053470486879
Energy: 0.5275361915643764
Energy: 0.5254057459950775
Energy: 0.5303048462729171
Energy: 0.5247560669017018
Energy: 0.6170165409144962
Energy: 0.5763804093651811
Energy: 0.5441404625825206
Energy: 0.5352133481605974
Energy: 0.5303951242698484
Energy: 0.5653273491541129
Energy: 0.5779153702417479
Energy: 0.5806789569463564
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Energy: 0.567902700636075
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Energy: 0.5312114957697875
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Energy: 0.5335501042697999
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Energy: 0.5393005672023304
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Energy: 0.5406992643774944
Energy: 0.5381702907120877
Energy: 0.5376401953516188
Energy: 0.5380860022847076
Energy: 0.5654802850521085
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Energy: 0.5250978275428811
Energy: 0.531805080508319
Energy: 0.7327825152066897
Energy: 0.5662475011800729
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Energy: 0.5796368139505995
Energy: 0.597944553603384
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Energy: 0.5666394130549849
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Energy: 0.5754396810876299
Energy: 0.5765487640955886
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Energy: 0.5229228049743904
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Energy: 0.6262581161114046
Energy: 0.61660437847706
Energy: 0.6148034129381511
Energy: 0.533686675191286
Energy: 0.6198925185834194
Energy: 0.6144984832154158
Energy: 0.629348939690802
Energy: 0.537525086679642
Energy: 0.556400371878777
Energy: 0.5866448963642066
Energy: 0.5425742373550594
Energy: 0.5345028276640712
Energy: 0.7775906236128824
Energy: 0.6168158894888907
Energy: 0.6151429009532714
Energy: 0.5749686375429643
Energy: 0.5804080226919619
Energy: 0.615325202699682
Energy: 0.8609712338943052
Energy: 0.5760856936447403
Energy: 0.539380410228623
Energy: 0.7472564254039581
Energy: 0.588278296234798
Energy: 0.5248006796641358
Energy: 0.9841190203623763
Energy: 0.5732780053506485
Energy: 0.6158263834895833
Energy: 0.5402499705751026
Energy: 0.5744896705967144
Energy: 0.6158566100619617
Energy: 0.7802032748439819
Energy: 0.5343225647963594
Energy: 0.5825602492734524
Energy: 0.5251342936607417
Energy: 0.5342220694842608
Energy: 0.5796547423395176
Energy: 0.705058110369092
Energy: 0.646480611167677
Energy: 0.5375950627387823
Energy: 0.6569624913531993
Energy: 0.6233408948620129
Energy: 0.5382489363143328
Energy: 0.7774672490764953
Energy: 0.5786708522140204
Energy: 0.5765120651685475
Energy: 0.5682749552241805
Energy: 0.6163994869537992
Energy: 0.5676660004584536
Energy: 0.7450683373922761
Energy: 0.5449523830635626
Energy: 0.5261186158564052
Energy: 0.7917890371285761
Energy: 0.5415148574873654
Energy: 0.6184402224960985
Energy: 0.5258945452353063
Energy: 0.5805534171158105
Energy: 0.5695892434676258
Energy: 0.5277824254362096
Energy: 0.5790535733854955
Energy: 0.567522351824279
Energy: 0.5336998260005547
Energy: 0.5296439531632541
Energy: 0.524980778740115
Energy: 0.5334716414073963
Energy: 0.5278371129166339
Energy: 0.5312255137794002
Energy: 0.623883887737467
Energy: 0.5268525229441345
Energy: 0.5434045668307944
Energy: 0.5990240884092429
Energy: 0.5264157218097727
Energy: 0.5313948544526487
Energy: 0.5937389753138314
Energy: 0.5257984375973235
Energy: 0.5288983529706927
Energy: 0.5262915915063832
Energy: 0.5414913480706945
Energy: 0.5096099488142078

minimum gb energy = 0.5096099488142078 eV
minimum distance =  2.38417123905334 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1233776518983336
Energy: 0.6000547061148542
Energy: 0.5994012624667524
Energy: 0.6467625893292973
Energy: 0.6269445165550623
Energy: 0.646954331103748
Energy: 0.5881605191793741
Energy: 0.5724135411002027
Energy: 0.5621017115436047
Energy: 0.5658021340540931
Energy: 0.5660094898182243
Energy: 0.5612801519145085
Energy: 0.5673792864204474
Energy: 0.5627444257358099
Energy: 0.5623236901359389
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Energy: 0.5615298041794586
Energy: 0.5670914262327675
Energy: 0.5719717004805094
Energy: 0.562540124578123
Energy: 0.5683306872509278
Energy: 0.5658753931048739
Energy: 0.566391920197135
Energy: 0.5648510900410206
Energy: 0.5827974719959489
Energy: 0.5740856598995799
Energy: 0.5797371401992344
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Energy: 0.5628089092900296
Energy: 0.6255957000939777
Energy: 0.5727914295212638
Energy: 0.5731155990343865
Energy: 0.5803025643345581
Energy: 0.5692011144000737
Energy: 0.5686288042182046
Energy: 0.6286770009882453
Energy: 0.5662799113891535
Energy: 0.5682810049477726
Energy: 0.566517901338093
Energy: 0.5799746796889496
Energy: 0.5638556429161526
Energy: 0.5878900640650215
Energy: 0.5983525970010737
Energy: 0.5983619212736591
Energy: 0.541655338706218
Energy: 0.5981085702910232
Energy: 0.558315897981895
Energy: 0.6282794835274347
Energy: 0.5629329227849806
Energy: 0.5620425030595934
Energy: 0.5806861409895689
Energy: 0.5657624452181957
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Energy: 0.830622496394428
Energy: 0.5675853872135849
Energy: 0.565269760635341
Energy: 0.7306406438581601
Energy: 0.5837467564694869
Energy: 0.5718573656500574
Energy: 0.6287418212263508
Energy: 0.5674371146498282
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Energy: 0.5670601338877731
Energy: 0.5795190041065273
Energy: 0.5620064230937217
Energy: 0.6799851474314309
Energy: 0.5416557811007706
Energy: 0.5414224368512197
Energy: 0.5831588882692827
Energy: 0.5412586687343467
Energy: 0.5722652533707391
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Energy: 0.5410832763720825
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Energy: 0.5419930617973417
Energy: 0.5683659465639915
Energy: 0.5796956944767402
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Energy: 0.599603926147288
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Energy: 0.5948860321965501
Energy: 0.5991337988711778
Energy: 0.5718470150585591
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Energy: 0.565290776011775
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Energy: 0.5627239860141617
Energy: 0.5798895556722586
Energy: 0.5659462634641792
Energy: 0.5633453109665421
Energy: 1.0727665983796175
Energy: 0.5669111252083598
Energy: 0.5765204434907567
Energy: 0.5908728414068589
Energy: 0.5729007201258888
Energy: 0.5415244007041923
Energy: 0.5879770338433555
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Energy: 0.5675085775263512
Energy: 0.539530245709648
Energy: 0.5786648245058297
Energy: 0.541872016772521
Energy: 0.5672182320420429
Energy: 0.5679358583555748
Energy: 0.5633878641630065
Energy: 0.5677361749129137
Energy: 0.5664193072257829
Energy: 0.5634439442880701
Energy: 0.5656974004225925
Energy: 0.5663099788428373
Energy: 0.5624433416473391
Energy: 0.566274038761268
Energy: 0.567797910491581
Energy: 0.5638964699042274
Energy: 0.5650346950812825
Energy: 0.5633115492220399
Energy: 0.561074632610047
Energy: 0.5655650324312012
Energy: 0.5664066914966499
Energy: 0.5612100408920913
Energy: 0.730312642763943
Energy: 0.5944083651875491
Energy: 0.6184029451083498
Energy: 0.9087065661664553
Energy: 0.594969111008977
Energy: 0.5764499156478441
Energy: 0.6284648285236095
Energy: 0.5628690523799641
Energy: 0.5627000100727145
Energy: 0.5837456785981373
Energy: 0.5659640174103213
Energy: 0.5619534326391243
Energy: 0.5878917401450053
Energy: 0.5999957816254161
Energy: 0.5677648732253573
Energy: 0.5418202489993428
Energy: 0.60048730599685
Energy: 0.54489402450257
Energy: 0.6288703621745437
Energy: 0.5661711638343182
Energy: 0.5642519650465645
Energy: 0.580710529244915
Energy: 0.5681181986987004
Energy: 0.562693244236227
Energy: 0.6286892243648786
Energy: 0.5672374144178647
Energy: 0.5668298238046761
Energy: 0.5673132369688109
Energy: 0.5831185747338365
Energy: 0.561268751280205
Energy: 0.830393913401736
Energy: 0.5670491199780737
Energy: 0.5729448818400772
Energy: 0.5682277099603211
Energy: 0.5841182288663945
Energy: 0.5709552739449464
Energy: 0.6256109185179846
Energy: 0.5573221596406366
Energy: 0.5738433378561367
Energy: 0.5791842626301656
Energy: 0.5659944427312572
Energy: 0.5714639795694711
Energy: 0.5677439795913232
Energy: 0.5416203175889182
Energy: 0.5415939513190307
Energy: 0.582726553900637
Energy: 0.5419389984153109
Energy: 0.5423089208492391
Energy: 0.567541170426541
Energy: 0.5688586114459123
Energy: 0.5663853512561918
Energy: 0.564623786149817
Energy: 0.5782655005443474
Energy: 0.5668527615423231
Energy: 0.568112817142495
Energy: 0.5623425192082933
Energy: 0.5609405822512784
Energy: 0.5682484555134862
Energy: 0.5676395591950338
Energy: 0.5625146708911889
Energy: 0.5658871796454087
Energy: 0.5669901002475594
Energy: 0.561268433723744
Energy: 0.5699578666705237
Energy: 0.5665418836949945
Energy: 0.5666577276747801
Energy: 1.072121116785197
Energy: 0.5661691715285639
Energy: 0.55798703300808
Energy: 0.5509291456188149
Energy: 0.5810214087110595
Energy: 0.5582753398838296

minimum gb energy = 0.539530245709648 eV
minimum distance =  2.38511053150772 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.7579200324380745
Energy: 0.6080389832696309
Energy: 0.6075653889725746
Energy: 0.6038343475755925
Energy: 0.658842105321794
Energy: 0.6078513021867252
Energy: 0.6472493370867337
Energy: 0.598678447981641
Energy: 0.5975944268395159
Energy: 0.6131901713693411
Energy: 0.6146312419749396
Energy: 0.5990219085760919
Energy: 0.6170743432946977
Energy: 0.5993471258824709
Energy: 0.6000230420713394
Energy: 0.5997863666050348
Energy: 0.5995303562704326
Energy: 0.6004505870696465
Energy: 0.6263592707299984
Energy: 0.6006755807244758
Energy: 0.6045742047603072
Energy: 0.6143675656966449
Energy: 0.6001528082659063
Energy: 0.6033292432249061
Energy: 0.6156744802388852
Energy: 0.6019564235520377
Energy: 0.583573002745952
Energy: 0.6162820027240664
Energy: 0.6179612673830421
Energy: 0.613217798999896
Energy: 0.649818716528789
Energy: 0.6042650857522925
Energy: 0.6038675197669034
Energy: 0.6575297109485173
Energy: 0.6027611931778974
Energy: 0.6053491920764782
Energy: 0.6501913622981073
Energy: 0.6007759008448202
Energy: 0.6171031467386964
Energy: 0.6183881055634116
Energy: 0.634929327710925
Energy: 0.6016492548401979
Energy: 0.6469297916971309
Energy: 0.6253439033989361
Energy: 0.6029527923015575
Energy: 0.5835339233394142
Energy: 0.6524240373537119
Energy: 0.6038745995620306
Energy: 0.6492940579423463
Energy: 0.582999415971511
Energy: 0.5829101912093406
Energy: 0.5837446713353754
Energy: 0.5843185718212633
Energy: 0.5866965341665297
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Energy: 0.6001901802043637
Energy: 0.6044261585572461
Energy: 0.649310166297638
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Energy: 0.6015470303493484
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Energy: 0.6017615619006641
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Energy: 0.6351706485075381
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Energy: 0.5819285720084163
Energy: 0.6574928328806283
Energy: 0.5819650991824283
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Energy: 0.5857426297387738
Energy: 0.5823962297807126
Energy: 0.5816493476452047
Energy: 0.62019783914112
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Energy: 0.6199255864621964
Energy: 0.6173114705118967
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Energy: 0.5813973730914105
Energy: 0.5991832142445049
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Energy: 0.5993825294110926
Energy: 0.5990437039457605
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Energy: 0.6163599713930201
Energy: 0.6126796474916196
Energy: 0.5988656990146672
Energy: 0.6186327015571929
Energy: 0.616757982763636
Energy: 0.6001423599778417
Energy: 0.9815277957643358
Energy: 0.5850361611274192
Energy: 0.6039400950667511
Energy: 0.601752979411552
Energy: 0.6489774643023135
Energy: 0.6086595881324441
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Energy: 0.5833823269172956
Energy: 0.6243424080462372
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Energy: 0.5832802911350952
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Energy: 0.604498308648147
Energy: 0.587002210348351
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Energy: 0.585200196774897
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Energy: 0.5833085719288063
Energy: 0.653778734629621
Energy: 0.6064835714753226
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Energy: 0.6165528024730242
Energy: 0.6167164722656585
Energy: 0.6017900000736461
Energy: 0.6230431439486671
Energy: 0.612143827689713
Energy: 0.6019088967965543
Energy: 0.7048033987583598
Energy: 0.5846128826403315
Energy: 0.5827072119968468
Energy: 0.5822461426659039
Energy: 0.6057155401917431
Energy: 0.5817585388240105

minimum gb energy = 0.5811989165106767 eV
minimum distance =  2.39105532624719 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.8899010175351654
Energy: 0.6499548223268464
Energy: 0.6496298992907853
Energy: 0.6623729023471121
Energy: 0.6698402425233365
Energy: 0.648389830687209
Energy: 0.7030686333754438
Energy: 0.6327813512356876
Energy: 0.6322882348874866
Energy: 0.6325316593914773
Energy: 0.6339051790291047
Energy: 0.6319408346236101
Energy: 0.6601111231520258
Energy: 0.6136252279489046
Energy: 0.6331243014431528
Energy: 0.6331670265621264
Energy: 0.6108325415098853
Energy: 0.6330075457166
Energy: 0.6602235057729517
Energy: 0.6325127121654749
Energy: 0.6328090889011369
Energy: 0.6311398447736631
Energy: 0.633123709809985
Energy: 0.6331217320400535
Energy: 0.6629089552062494
Energy: 0.6335721915303274
Energy: 0.6345710293567595
Energy: 0.6634341704285233
Energy: 0.6335583410100473
Energy: 0.6349019235674608
Energy: 0.6645755224110255
Energy: 0.638488352548432
Energy: 0.6368664454718763
Energy: 0.6649775803340373
Energy: 0.6380066676588072
Energy: 0.6368214317067159
Energy: 0.7030811594655247
Energy: 0.6334001328655336
Energy: 0.6324540478123727
Energy: 0.6093864628369741
Energy: 0.6341094768799515
Energy: 0.6321553902375944

minimum gb energy = 0.6093864628369741 eV
minimum distance =  2.42540365214972 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.0208951455701205
Energy: 0.7790084634807104
Energy: 0.7195070933874006
Energy: 0.7050019982307182
Energy: 1.2099531082805874
Energy: 0.7191873041116897
Energy: 0.7287983274498402
Energy: 0.7388226195319606
Energy: 0.7116139198772957
Energy: 0.7360630674339977
Energy: 0.7415368737938992
Energy: 0.7088075977554228
Energy: 0.7157521071188134
Energy: 0.7222990160641672
Energy: 0.7204049140182276
Energy: 0.716148313836312
Energy: 0.7206345452918607
Energy: 0.7148953811110513
Energy: 0.7127712919928499
Energy: 0.710084482895299
Energy: 0.7102327433353476
Energy: 0.7137257001129685
Energy: 0.7143058580656518
Energy: 0.7108963699204428
Energy: 0.7236009335546592
Energy: 0.7038431897693017
Energy: 0.7026107910754361
Energy: 0.724741949497679
Energy: 0.7043055157559712
Energy: 0.7030241765023406
Energy: 0.7109058596638786
Energy: 0.7054183197568022
Energy: 0.7043647768671848
Energy: 0.7118897857676466
Energy: 0.7032793234309646
Energy: 0.703418575810296
Energy: 0.7097961618795982
Energy: 0.717321334441098
Energy: 0.7106422846819863
Energy: 0.7064300802224706
Energy: 0.7283327545053382
Energy: 0.7181393290048547
Energy: 0.9190572363313156
Energy: 0.7425295321387942
Energy: 0.7097360379333103
Energy: 0.7145271731569474
Energy: 0.7174889269826795
Energy: 0.7086168440620051
Energy: 0.7154790130734586
Energy: 0.702302206851943
Energy: 0.7201352674959153
Energy: 0.7096894836669988
Energy: 0.7010030112177056
Energy: 0.7319217821482644
Energy: 0.7101545435178485
Energy: 0.6995718595338998
Energy: 0.6983703063633955
Energy: 0.7489758377221222
Energy: 0.7005677213841924
Energy: 0.7253233484042332
Energy: 0.7556740782296933
Energy: 0.7075817754304354
Energy: 0.7140123950399754
Energy: 0.7324155007800927
Energy: 0.697505803550566
Energy: 0.7159535761047939
Energy: 0.7460418209259563
Energy: 0.7029129336795427
Energy: 0.7031528289960537
Energy: 0.7105278839553633
Energy: 0.7032073267037371
Energy: 0.7036070562056582
Energy: 0.7144456354385874
Energy: 0.7043746974546807
Energy: 0.7045558337857999
Energy: 0.7068980346709091
Energy: 0.7109978357697088
Energy: 0.7030448043724281
Energy: 0.7140487794474578
Energy: 0.7138765189687658
Energy: 0.7147719446620755
Energy: 0.711982827192021
Energy: 0.7122695587125344
Energy: 0.7094900954959416
Energy: 0.7478557716013025
Energy: 0.7147824506348506
Energy: 0.7712431491018973
Energy: 0.704260876046962
Energy: 0.7140677723343349
Energy: 0.7155145031688352
Energy: 0.7432502082952182
Energy: 0.734312365250146
Energy: 0.7312999819458484
Energy: 0.7410642272476041
Energy: 0.7373598428707171
Energy: 0.733417889534534
Energy: 0.8208453301208007
Energy: 0.7118193167692594
Energy: 0.71464370954793
Energy: 0.8217066041634615
Energy: 0.7136882062579805
Energy: 0.722329621780813
Energy: 0.7484176857417979
Energy: 0.7344238527543541
Energy: 0.7410705590272497
Energy: 0.714237261790443
Energy: 0.7092925005642311
Energy: 0.721989225002418
Energy: 0.8394314508897847
Energy: 0.7138316156797752
Energy: 0.7138143505931043
Energy: 0.7550132662054139
Energy: 0.7416010463240861
Energy: 0.6965283962248864
Energy: 0.776155072507926
Energy: 0.7050979408207675
Energy: 0.713515810667157
Energy: 0.7318767588305034
Energy: 0.7054288271595686
Energy: 0.6955740031261197
Energy: 0.7045192396064384
Energy: 0.7100249520314895
Energy: 0.7230959565734519
Energy: 0.7033887509735676
Energy: 0.7201403836585677
Energy: 0.7223037030236816
Energy: 0.7053498938882582
Energy: 0.707457663388157
Energy: 0.707727801128921
Energy: 0.7096522233163943
Energy: 0.7081016235430325
Energy: 0.7075470784821511
Energy: 0.7118941237757531
Energy: 0.7101776878682771
Energy: 0.7153035305020209
Energy: 0.712794626912859
Energy: 0.7144047056110017
Energy: 0.7116982217647623
Energy: 0.7054642348069976
Energy: 0.7160667459782387
Energy: 0.7160831784475402
Energy: 0.7056978111816347
Energy: 0.7152301477479144
Energy: 0.706759020227237
Energy: 0.7101328928204153
Energy: 0.708905747162557
Energy: 0.741132881946856
Energy: 0.7361333552553156
Energy: 0.7131353646669475
Energy: 0.7406473860858616
Energy: 0.850190969913218
Energy: 0.7202935071480262
Energy: 0.7078635889987659
Energy: 0.71886789680672
Energy: 0.7447633894915736
Energy: 0.726279196178447
Energy: 0.6956154334062691
Energy: 0.7418441305479287
Energy: 0.747705216474408
Energy: 0.7258273938742932
Energy: 0.7440454238536243
Energy: 0.7261562102858421
Energy: 0.711140439249259
Energy: 0.739178636226583
Energy: 0.7397454731120616
Energy: 0.7558035009548314
Energy: 0.7358351249576243
Energy: 0.7394443342275334
Energy: 0.7142898476963637
Energy: 0.7294491025250097
Energy: 0.7302623402280476
Energy: 0.7144038435618527
Energy: 0.7267595342706316
Energy: 0.7155473074334694
Energy: 0.712928834742656
Energy: 0.7138367386127095
Energy: 0.7221267200704712
Energy: 0.7136187477923209
Energy: 0.7132764632502538
Energy: 0.7101697606813799
Energy: 0.7106869637827852
Energy: 0.7119539729527672
Energy: 0.7110500803913764
Energy: 0.7116931055602954
Energy: 0.7112609206798557
Energy: 0.711560115106485
Energy: 0.7201573330594044
Energy: 0.711918142811402
Energy: 0.7022586391727861
Energy: 0.7182060426023882
Energy: 0.7208383641379219
Energy: 0.7032950056065161
Energy: 0.8177366067763225
Energy: 0.7261747324130432
Energy: 0.7376751756579241
Energy: 0.7131448818333359
Energy: 0.7506943785350193
Energy: 0.7141325348016883
Energy: 0.8053165738336079
Energy: 0.7031860506826894
Energy: 0.7018314919275715
Energy: 0.7432047399186611
Energy: 0.702634483199162
Energy: 0.7027663750999518
Energy: 0.7100625632568415
Energy: 0.7230169543538725
Energy: 0.7188177361558804
Energy: 0.7002050065278485
Energy: 0.7278425247398679
Energy: 0.7027150854789164
Energy: 0.7485912949234422
Energy: 0.69983025926211
Energy: 0.6994373713042535
Energy: 0.7491877843770344
Energy: 0.7008441321343355
Energy: 0.7254575774621294
Energy: 0.747332527067102
Energy: 0.7028805566017243
Energy: 0.7200832462482042
Energy: 0.7328551749632453
Energy: 0.7010835221704824
Energy: 0.7101171483648492
Energy: 0.7164698490325563
Energy: 0.7128160402424414
Energy: 0.7119768970583211
Energy: 0.693910213481797
Energy: 0.7148270672311999
Energy: 0.7115136435919106
Energy: 0.7021348642570441
Energy: 0.7181742656256767
Energy: 0.7105317825651696
Energy: 0.71257060131362
Energy: 0.7147951027268301
Energy: 0.7039075993958861
Energy: 0.7472582147776573
Energy: 0.7141987406228155
Energy: 0.7145236516964003
Energy: 0.7048231877385628
Energy: 0.7134399760043402
Energy: 0.7169404164480895
Energy: 0.8095649613640902
Energy: 0.7085258672365482
Energy: 0.7088622810336017
Energy: 0.7312908152868599
Energy: 0.7474675145249852
Energy: 0.7389930850720293
Energy: 0.832075789535761
Energy: 0.7134586497800693
Energy: 0.715518744892446
Energy: 0.7226079918790644
Energy: 0.7096004377739924
Energy: 0.7093940732559181
Energy: 0.7984198414033719
Energy: 0.711353588998023
Energy: 0.7080602262071984
Energy: 0.805979861029232
Energy: 0.7136183241652446
Energy: 0.7391353592448362
Energy: 0.7122785635519302
Energy: 0.7356222331333634
Energy: 0.736068891826204
Energy: 0.7112057278245244
Energy: 0.7395935494114427
Energy: 0.7410384982243841
Energy: 1.0114566791798254
Energy: 0.7072610313098898
Energy: 0.7511001840427691
Energy: 0.7496590153726789
Energy: 0.7064533814404251
Energy: 0.751634062040686
Energy: 0.7140005840246401
Energy: 0.7112332729357939
Energy: 0.7093753616118071
Energy: 0.7112457504950469
Energy: 0.7098731010016768
Energy: 0.7115183315358294
Energy: 0.7067910756846706
Energy: 0.7094245960323209
Energy: 0.7073961668104731
Energy: 0.7086853724053142
Energy: 0.7099816932623715
Energy: 0.708216084275461
Energy: 0.7047713370525086
Energy: 0.7115797218111489
Energy: 0.7103127879438659
Energy: 0.7073979763835874
Energy: 0.7095097973735807
Energy: 0.7257124690401602
Energy: 0.7046237379767166
Energy: 0.7120856949985327
Energy: 0.7055902316690889
Energy: 0.7052082627859904
Energy: 0.7113261463434299
Energy: 0.7067088700602338
Energy: 0.7147341509935752
Energy: 0.744984770759988
Energy: 0.71624852596629
Energy: 0.7152978790316017
Energy: 0.7113533498891437
Energy: 0.7129747329410188
Energy: 0.7282102917351574
Energy: 0.7047080951314542
Energy: 0.722384711846625
Energy: 0.7173441520520649
Energy: 0.7087158551813569
Energy: 0.7159613387946122

minimum gb energy = 0.693910213481797 eV
minimum distance =  2.3612220985852 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.519226427187614
Energy: 0.730717037888294
Energy: 0.7308395660667193
Energy: 0.711091215782852
Energy: 0.7635488465795645
Energy: 0.7115152218815736
Energy: 0.6832008312149748
Energy: 0.7151637222629385
Energy: 0.7210000676518163
Energy: 0.7294642453202443
Energy: 0.6925016666263756
Energy: 0.7232012810422154
Energy: 0.7195712494080467
Energy: 0.6890611603621964
Energy: 0.6901644727947283
Energy: 0.7141872928345508
Energy: 0.7047750533970656
Energy: 0.7354012767523
Energy: 0.7097737326064391
Energy: 0.6914125842321494
Energy: 0.7116896581453509
Energy: 0.7099978100512646
Energy: 0.7059490074147954
Energy: 0.7144021517740257
Energy: 0.7118438618625326
Energy: 0.7107460476022275
Energy: 0.7105268349915457
Energy: 0.7123832326289855
Energy: 0.7167507188309309
Energy: 0.7171275158035468
Energy: 0.7093458419416805
Energy: 0.703539931009568
Energy: 0.7172506185905634
Energy: 0.7123878801540839
Energy: 0.7151699009075854
Energy: 0.7172002485775504
Energy: 0.6984985696816272
Energy: 0.7061661031090126
Energy: 0.7146654128318694
Energy: 0.7295883907076611
Energy: 0.6919132848478522
Energy: 0.7102797606194061
Energy: 0.8323526084057934
Energy: 0.753263031764036
Energy: 0.7595246058166295
Energy: 0.6762356092934962
Energy: 0.7719939691195671
Energy: 0.6809402611429435
Energy: 0.7375007345271244
Energy: 0.7112868835746021
Energy: 0.7201348504504284
Energy: 0.751551026484398
Energy: 0.6870373514713932
Energy: 0.7179126773124859
Energy: 0.7339982051566671
Energy: 0.7031044641068597
Energy: 0.7022711973824547
Energy: 0.7155842829452096
Energy: 0.7150136135339404
Energy: 0.7051026573391868
Energy: 0.7000474596143179
Energy: 0.7106329995578017
Energy: 0.7134303938980857
Energy: 0.7230237009441964
Energy: 0.6872694268421765
Energy: 0.7058158854441806
Energy: 0.7383707902612695
Energy: 0.7018399956249112
Energy: 0.7100653243859486
Energy: 0.7076602319610404
Energy: 0.7113072387444518
Energy: 0.709634536045996
Energy: 0.7376011242922672
Energy: 0.7170059977898925
Energy: 0.699338027323543
Energy: 0.705130972657696
Energy: 0.7166255939494889
Energy: 0.6890629173761706
Energy: 0.6966942911107048
Energy: 0.7249266440906519
Energy: 0.7176205501967927
Energy: 0.6954518109730035
Energy: 0.689011090281883
Energy: 0.7169509045122198
Energy: 0.8038279432438223
Energy: 0.7173335602916335
Energy: 0.7243353988884184
Energy: 0.7268536812257905
Energy: 0.7169450123041141
Energy: 0.719795418994427
Energy: 0.7335032790593371
Energy: 0.7277447497594233
Energy: 0.7219987939243369
Energy: 0.7241281420109248
Energy: 0.7116405927810546
Energy: 0.7223093965126685
Energy: 0.805135884715951
Energy: 0.6768862346172103
Energy: 0.6759845698724737
Energy: 0.8054782239096541
Energy: 0.6767866746847377
Energy: 0.6814618320003132
Energy: 0.6965592641221343
Energy: 0.7086826593035949
Energy: 0.7215524834650393
Energy: 0.7012388169666693
Energy: 0.7585942367434872
Energy: 0.7087627420504268
Energy: 0.8189077246715081
Energy: 0.7225785227892768
Energy: 0.7085449812925999
Energy: 0.7087734749428528
Energy: 0.7232506638025752
Energy: 0.7086388147451593
Energy: 0.8192837217851474
Energy: 0.7229267814711166
Energy: 0.7078422701288709
Energy: 0.7086657288321099
Energy: 0.7206497603119993
Energy: 0.7083025586022779
Energy: 0.696126582899312
Energy: 0.7076308296566783
Energy: 0.718333775386982
Energy: 0.7023462026499292
Energy: 0.7084368578457181
Energy: 0.7191789696755133
Energy: 0.7231759907262438
Energy: 0.6881464065950426
Energy: 0.6859607612416204
Energy: 0.7236011226462563
Energy: 0.6904582712845483
Energy: 0.6870515463541772
Energy: 0.727511324794899
Energy: 0.7097617410951144
Energy: 0.7208181691498304
Energy: 0.7179497640094556
Energy: 0.6985227672359128
Energy: 0.7160041148806229
Energy: 0.7219289732395819
Energy: 0.7211344982526794
Energy: 0.7253599534034126
Energy: 0.7182590088458584
Energy: 0.7160069465295786
Energy: 0.7219303069001826
Energy: 0.6993467446863367
Energy: 0.7230737329823259
Energy: 0.7282751405916265
Energy: 0.7013317824713409
Energy: 0.7227543014536899
Energy: 0.723900720614191
Energy: 0.8288242682161382
Energy: 0.7505283276298708
Energy: 0.7531823012693176
Energy: 0.6824890069975375
Energy: 0.7402438766847422
Energy: 0.7551656580729792
Energy: 0.8290878997209268
Energy: 0.7530505377694492
Energy: 0.7544532481967438
Energy: 0.6875609668847327
Energy: 0.7642176581302959
Energy: 0.7539396225308594
Energy: 0.6961084325602369
Energy: 0.7071558882486272
Energy: 0.7143179109724255
Energy: 0.7245110327549397
Energy: 0.6997187611171022
Energy: 0.707119844202008
Energy: 0.7340875321693275
Energy: 0.7018827052732186
Energy: 0.7022162708350842
Energy: 0.7158058630832337
Energy: 0.702896774231877
Energy: 0.7025000409116724
Energy: 0.7313989910347134
Energy: 0.7125170805158251
Energy: 0.7130997599740786
Energy: 0.7034054494724027
Energy: 0.687137773207181
Energy: 0.7153582631212696
Energy: 0.7371810117222475
Energy: 0.7047102501993465
Energy: 0.7115873656614985
Energy: 0.688605558789682
Energy: 0.7594843507251091
Energy: 0.6889360991545224
Energy: 0.702270781623574
Energy: 0.6879600466608429
Energy: 0.6871194020198553
Energy: 0.6877435720164984
Energy: 0.6882599806503261
Energy: 0.7159058977761061
Energy: 0.7928121959790733
Energy: 0.7038351129080679
Energy: 0.7164367166218166
Energy: 0.7235891431095811
Energy: 0.7062297531848347
Energy: 0.7160911688613687
Energy: 0.7170451806989723
Energy: 0.7100415755515654
Energy: 0.7115520654829611
Energy: 0.7219005442317464
Energy: 0.7125437958168915
Energy: 0.7103989182776952
Energy: 0.7939898499498033
Energy: 0.7153611711823522
Energy: 0.7220936035644638
Energy: 0.729700204374155
Energy: 0.68313621889126
Energy: 0.7233457326272695
Energy: 0.7955405793667008
Energy: 0.6774098549617757
Energy: 0.6772720051359156
Energy: 0.7959972795875174
Energy: 0.6762540169249771
Energy: 0.7763611927024867
Energy: 0.7091327153774385
Energy: 0.7165156891364146
Energy: 0.720534768007648
Energy: 0.7150670648209158
Energy: 0.69287369082882
Energy: 0.7295964051080082
Energy: 0.7774098581755081
Energy: 0.7114161125130002
Energy: 0.711926974206994
Energy: 0.7098173646229202
Energy: 0.7248369199940788
Energy: 0.7133037570805788

minimum gb energy = 0.6759845698724737 eV
minimum distance =  2.3868043109204 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2624111466555081
Energy: 0.8104835527628439
Energy: 0.7499916808317717
Energy: 0.6984773200723924
Energy: 0.7989573319641506
Energy: 0.6980632663461864
Energy: 0.6703658699431146
Energy: 0.7005957753749285
Energy: 0.6891373040243658
Energy: 0.7249019948794974
Energy: 0.6819703861399418
Energy: 0.6878360160618384
Energy: 0.682494703429348
Energy: 0.6705946188623576
Energy: 0.6701745561275336
Energy: 0.7183414414516457
Energy: 0.6706158071005718
Energy: 0.6839584824727435
Energy: 0.6839797852923457
Energy: 0.6697537064549243
Energy: 0.6887513291061513
Energy: 0.6839974879533021
Energy: 0.6751662539595983
Energy: 0.6842057206721256
Energy: 0.6826182127643489
Energy: 0.6953340871736269
Energy: 0.6916083953919817
Energy: 0.6825487194392028
Energy: 0.6889286303354538
Energy: 0.6907339330785596
Energy: 0.682927539705513
Energy: 0.6886811860976741
Energy: 0.6888824228801559
Energy: 0.688868139975571
Energy: 0.6895455714290829
Energy: 0.6891359560951829
Energy: 0.6836963824289126
Energy: 0.6838949087327731
Energy: 0.6905459869001949
Energy: 0.6882702627873538
Energy: 0.6838224304895988
Energy: 0.6904186470088389
Energy: 0.7734746268934026
Energy: 0.6822949287044282
Energy: 0.6823814279661534
Energy: 0.7014358855545851
Energy: 0.6829993768859495
Energy: 0.6831210872841498
Energy: 0.6789970012667117
Energy: 0.6827981388931808
Energy: 0.682282261874215
Energy: 0.6789031667625394
Energy: 0.7257084674575334
Energy: 0.6903486445601037
Energy: 0.8202524733927841
Energy: 0.687313810594418
Energy: 0.6868148666305106
Energy: 0.7635339222341838
Energy: 0.6880789540145049
Energy: 0.6898648346961782
Energy: 0.6938338993030613
Energy: 0.6954652866360359
Energy: 0.7112311188196775
Energy: 0.6780173371630521
Energy: 0.6822224626381159
Energy: 0.6866734647578587
Energy: 0.6876053570579662
Energy: 0.6847094908555565
Energy: 0.6848375606704541
Energy: 0.6938133688255835
Energy: 0.6847658827768346
Energy: 0.6849336227669305
Energy: 0.8034187036861464
Energy: 0.6852071397604482
Energy: 0.6945574140739517
Energy: 0.6733593621065942
Energy: 0.6842601153787574
Energy: 0.6947182177278166
Energy: 0.6927380626351893
Energy: 0.690444241238202
Energy: 0.6901348598904878
Energy: 0.6812842624808566
Energy: 0.6838523625479159
Energy: 0.6900209861247942
Energy: 0.695067876566076
Energy: 0.6958921968545114
Energy: 0.7113398382974807
Energy: 0.7030711523168398
Energy: 0.6869958797524766
Energy: 0.7117208987416345
Energy: 0.6919092673637852
Energy: 0.6904389122059127
Energy: 0.7084403950472273
Energy: 0.6917551830159574
Energy: 0.6937864930621808
Energy: 0.6911465137577577
Energy: 0.6898285323791263
Energy: 0.7042124547685693
Energy: 0.7044651200293681
Energy: 0.689901259378511
Energy: 0.7106329340416071
Energy: 0.7063060113730378
Energy: 0.6895918161358503
Energy: 0.6960778473542225
Energy: 0.7058587888972003
Energy: 0.7081003515281589
Energy: 0.6965387246811612
Energy: 0.7080497104578678
Energy: 0.6931533610673413
Energy: 0.691944199006163
Energy: 0.7011189718626373
Energy: 0.6933160532496925
Energy: 0.6919536923174464
Energy: 0.6857425845549088
Energy: 0.7891579103611309
Energy: 0.7010471247588964
Energy: 0.701478438335319
Energy: 0.69463451100628
Energy: 0.7015331493907723
Energy: 0.6849181351887933
Energy: 0.6895856357348557
Energy: 0.6963362565482918
Energy: 0.6962240531871521
Energy: 0.7038440801739106
Energy: 0.6904025104117544
Energy: 0.6961886255446904
Energy: 0.7733627446035694
Energy: 0.6994067540506468
Energy: 0.6973941396353226
Energy: 0.7738340661191689
Energy: 0.6783904025496466
Energy: 0.7773033275901214
Energy: 0.6964259596477395
Energy: 0.6968239867578474
Energy: 0.6961452190122471
Energy: 0.7044947245857431
Energy: 0.7069292054804995
Energy: 0.7077483975487422
Energy: 0.7471874926049968
Energy: 0.7010853151427051
Energy: 0.7015206255058375
Energy: 0.7308443258907419
Energy: 0.6918075313506962
Energy: 0.7049317902223168
Energy: 0.6978991891801717
Energy: 0.6915093989516599
Energy: 0.7013022764143286
Energy: 0.6967421805214337
Energy: 0.690982790051335
Energy: 0.7011564361316692
Energy: 0.7203468047958425
Energy: 0.7018001033066643
Energy: 0.7046458910696393
Energy: 0.7101711721544482
Energy: 0.6922531258836677
Energy: 0.7097861559321763
Energy: 0.7205669866107061
Energy: 0.704735594314355
Energy: 0.7051262054084083
Energy: 0.6917173814359299
Energy: 0.7021021258064772
Energy: 0.7100342572854983
Energy: 0.7292208622114703
Energy: 0.6912486556080162
Energy: 0.6908401293923281
Energy: 0.6835368606933001
Energy: 0.6951634594208037
Energy: 0.6894467459373189
Energy: 0.6839700311336256
Energy: 0.6850114508194326
Energy: 0.6848511048606766
Energy: 0.6838301473339191
Energy: 0.7015528523828979
Energy: 0.6846877015254601
Energy: 0.6833627684740551
Energy: 0.6911716538315192
Energy: 0.6906610268855169
Energy: 0.724110363097082
Energy: 0.6822995129224363
Energy: 0.6881306833583186
Energy: 0.6848819015584308
Energy: 0.731050751813601
Energy: 0.7058731772667266
Energy: 0.6985253622352673
Energy: 0.7376616625116449
Energy: 0.7066155305719425

minimum gb energy = 0.6697537064549243 eV
minimum distance =  2.36870896325445 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9665993996882567
Energy: 0.7026373680968091
Energy: 0.7027953401662258
Energy: 0.6685911429050283
Energy: 0.790544377906164
Energy: 0.7025729753273676
Energy: 0.6616003125988041
Energy: 0.7044905479694791
Energy: 0.6768330141805948
Energy: 0.7075654334115937
Energy: 0.7069651074209365
Energy: 0.6836372598324926
Energy: 0.6765955580170788
Energy: 0.6524901003671738
Energy: 0.6514251114292082
Energy: 0.6929546532707397
Energy: 0.6535118589310375
Energy: 0.6496575895398442
Energy: 0.6954192405930641
Energy: 0.6779341510933682
Energy: 0.6512820791964857
Energy: 0.6960265929758057
Energy: 0.650752330269981
Energy: 0.682273005961492
Energy: 0.6950731999409636
Energy: 0.6739047180645387
Energy: 0.6719880834167605
Energy: 0.6775043832135684
Energy: 0.680946879781709
Energy: 0.6761322235837519
Energy: 0.6522637891490436
Energy: 0.6711181807285368
Energy: 0.6762079536545741
Energy: 0.6750786016183538
Energy: 0.6803423540221488
Energy: 0.6768926281112858
Energy: 0.7063655068543343
Energy: 0.6970098056041734
Energy: 0.6829470769804884
Energy: 0.6901109954693548
Energy: 0.6967588032617226
Energy: 0.6817821805505059
Energy: 0.7025926148609419
Energy: 0.6828915755698264
Energy: 0.6744389690431087
Energy: 0.6825847886252397
Energy: 0.6828898008768393
Energy: 0.6953499011388244
Energy: 0.703584856615364
Energy: 0.6937984624964461
Energy: 0.6919073135498862
Energy: 0.7063040674080786
Energy: 0.7023022165089703
Energy: 0.6849433948222812
Energy: 0.8360656353070602
Energy: 0.6905532624949493
Energy: 0.6942935784906522
Energy: 0.7049074007622027
Energy: 0.6781631419788454
Energy: 0.6943999731834662
Energy: 0.6809491092203853
Energy: 0.6764408944649228
Energy: 0.6816630076962145
Energy: 0.7083708698741277
Energy: 0.6890459936733013
Energy: 0.7074308455959377
Energy: 0.6624736193617791
Energy: 0.6933574368305117
Energy: 0.7050008502815953
Energy: 0.6643810826570838
Energy: 0.7027000372184466
Energy: 0.7067927990519582
Energy: 0.6621728669230784
Energy: 0.6937050286668138
Energy: 0.7222857135638575
Energy: 0.6497505590186154
Energy: 0.6942216821057091
Energy: 0.7243613261916434
Energy: 0.6865219189402451
Energy: 0.6849126533059079
Energy: 0.6857694195924482
Energy: 0.7066067035622114
Energy: 0.707499054214038
Energy: 0.6838424073774225
Energy: 0.6800474864414419
Energy: 0.6620681390359431
Energy: 0.6628162327137695
Energy: 0.698113181312058
Energy: 0.6558643463021805
Energy: 0.6624991121837753
Energy: 0.6957657687121607
Energy: 0.6830493325998166
Energy: 0.681704973447504
Energy: 0.6962780382256181
Energy: 0.6759420073720142
Energy: 0.6823723188901389
Energy: 0.6989246680410934
Energy: 0.6741585836430705
Energy: 0.6741330824060059
Energy: 0.6782566890962973
Energy: 0.6741668543800631
Energy: 0.677372944370271
Energy: 0.6979790590211065
Energy: 0.6784168470089073
Energy: 0.672034602574952
Energy: 0.6797553908106494
Energy: 0.6799342570100039
Energy: 0.681653103280746
Energy: 0.7125063617048011
Energy: 0.6973491087709326
Energy: 0.7039159702116813
Energy: 0.6760936723159633
Energy: 0.6960822390546865
Energy: 0.7073259705613953
Energy: 0.7130506292509139
Energy: 0.6934930081416374
Energy: 0.7045671074399913
Energy: 0.6765671057724681
Energy: 0.6929613412737685
Energy: 0.7071935108433024
Energy: 0.6919699081853737
Energy: 0.7173819512372988
Energy: 0.6902445171510213
Energy: 0.707692202246033
Energy: 0.7047304882190835
Energy: 0.6815526002039426
Energy: 0.8274305861099738
Energy: 0.6894709866664545
Energy: 0.6766870571765238
Energy: 0.6781778365597875
Energy: 0.6889439257140538
Energy: 0.6770423452436066
Energy: 0.6864662907671409
Energy: 0.7056186725101629
Energy: 0.6731027087734868
Energy: 0.7065544862426995
Energy: 0.7073789095085641
Energy: 0.6872655144583768
Energy: 0.6622255901580342
Energy: 0.6938080106223221
Energy: 0.7221541490107365
Energy: 0.6747431713453435
Energy: 0.6934098456637685
Energy: 0.7242165884915928

minimum gb energy = 0.6496575895398442 eV
minimum distance =  2.35194986683727 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6277720007228066
Energy: 0.7600740882312441
Energy: 0.8078093105907532
Energy: 0.6595696128453016
Energy: 0.6961615838982061
Energy: 0.6837409542462525
Energy: 0.6580037915778917
Energy: 0.7238822617452232
Energy: 0.7182828191971894
Energy: 0.7344016458073103
Energy: 0.7245934809935644
Energy: 0.6734196702255647
Energy: 0.8972790413321379
Energy: 0.6328764743523055
Energy: 0.633032586046167
Energy: 0.7247946790128049
Energy: 0.6327014724715199
Energy: 0.6454744086569082
Energy: 0.7342409351758004
Energy: 0.6326372458505778
Energy: 0.6471321388988736
Energy: 0.735285260866965
Energy: 0.6464466224891109
Energy: 0.7168536672596703
Energy: 0.6480867427869941
Energy: 0.6334496111062121
Energy: 0.6259734868517868
Energy: 0.6491281465634919
Energy: 0.6331827981206899
Energy: 0.6321190576414548
Energy: 0.6503300630720416
Energy: 0.632449690445573
Energy: 0.625567358940913
Energy: 0.609920971890364
Energy: 0.6433232072331572
Energy: 0.6205186416438248
Energy: 0.6447987515627028
Energy: 0.6399170905294835
Energy: 0.6398754417366621
Energy: 0.6414171827211586
Energy: 0.6432727229185695
Energy: 0.6259481004650076
Energy: 0.6295185017784078
Energy: 0.6174393600219932
Energy: 0.6122144921925214
Energy: 0.6128358722540582
Energy: 0.612959055866889
Energy: 0.6149348491323385
Energy: 0.6416011641986225
Energy: 0.6135468524323053
Energy: 0.6133194829002174
Energy: 0.6429568632927257
Energy: 0.6158493880277308
Energy: 0.6315232126515603
Energy: 0.6451679148207115
Energy: 0.6245255945686684
Energy: 0.6248289914484533
Energy: 0.64114348757432
Energy: 0.6244915804257678
Energy: 0.624872088114204
Energy: 0.6522392591230084
Energy: 0.6317636415099847
Energy: 0.6322693254165829
Energy: 0.6407617105105312
Energy: 0.7304761538985117
Energy: 0.63279846512901
Energy: 0.6492283198853611
Energy: 0.7303716858312231
Energy: 0.729540058748206
Energy: 0.6292770821766408
Energy: 0.7301195221076642
Energy: 0.7197950791768429
Energy: 0.7293843144410413
Energy: 0.7105960952039385
Energy: 0.7136747728151183
Energy: 0.6267950786624673
Energy: 0.7128836930142963
Energy: 0.7126364441903021
Energy: 0.7352336314539236
Energy: 0.7248250111672836
Energy: 0.718567096931371
Energy: 0.7348006687345834
Energy: 0.7307641827312267
Energy: 0.6575612527427891
Energy: 0.6993982956713721
Energy: 0.722223607225009
Energy: 0.7194143205844915
Energy: 0.7133771374050608
Energy: 0.7183040360941855
Energy: 0.7312459374706148
Energy: 0.8151192616193147
Energy: 0.7309622440748291
Energy: 0.6656266752261869
Energy: 0.7246086129846313
Energy: 0.7347188921857652
Energy: 0.7286492049432489
Energy: 0.7213693231268855
Energy: 0.718745014483173
Energy: 0.801433217468534
Energy: 0.6424454891558069
Energy: 0.725063151815749
Energy: 0.8017844212377601

minimum gb energy = 0.609920971890364 eV
minimum distance =  2.37687252348388 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.1806717565619707
Energy: 0.7703185674739246
Energy: 0.6487332433863738
Energy: 0.6465452611563003
Energy: 0.722583929871703
Energy: 0.6464787096599591
Energy: 0.6482432876661154
Energy: 0.7047870785920606
Energy: 0.5963284236989771
Energy: 0.7135822725156151
Energy: 0.7018590011107652
Energy: 0.6493114202501038
Energy: 0.8540953287517882
Energy: 0.5740554868158715
Energy: 0.604049220876379
Energy: 0.7209198256945913
Energy: 0.574546013323258
Energy: 0.6077817415071541
Energy: 0.7169110775650505
Energy: 0.6343625250614419
Energy: 0.6289416993040395
Energy: 0.7179741785275351
Energy: 0.5787062392886881
Energy: 0.6485189154979553
Energy: 0.6275063937428523
Energy: 0.6001870321371682
Energy: 0.596652574683926
Energy: 0.6280046520567474
Energy: 0.6145241801018091
Energy: 0.5982160936669757
Energy: 0.6300692160004536
Energy: 0.5934718704391813
Energy: 0.571810196209926
Energy: 0.5761816673041369
Energy: 0.6186046061498355
Energy: 0.5726725657667263
Energy: 0.5795854516954329
Energy: 0.6186286233518853
Energy: 0.618544458824425
Energy: 0.5662974367330921
Energy: 0.6218525157674036
Energy: 0.5685338245038051
Energy: 0.5805988333464859
Energy: 0.55963603553865
Energy: 0.5654013162319531
Energy: 0.5686788467523614
Energy: 0.559239881866517
Energy: 0.565152780597144
Energy: 0.5813012632578142
Energy: 0.565290366521016
Energy: 0.5810553924028402
Energy: 0.5820395154390239
Energy: 0.574844388223295
Energy: 0.5804003522375196
Energy: 0.5797214351439861
Energy: 0.5630597057442461
Energy: 0.5633657803719447
Energy: 0.5798723319350101
Energy: 0.5626808641302135
Energy: 0.5632508066182059
Energy: 0.5900565434467365
Energy: 0.5809317944061353
Energy: 0.5625620257605607
Energy: 0.5620659153809417
Energy: 0.5800162272699722
Energy: 0.5621939191849162
Energy: 0.583019003006526
Energy: 0.5807520178580541
Energy: 0.5804174060305203
Energy: 0.5841018202919781
Energy: 0.5846005075416273
Energy: 0.5816928874234824
Energy: 0.5925813848005113
Energy: 0.5651037003421729
Energy: 0.5645488587253317
Energy: 0.5657513575309513
Energy: 0.6067381601961844
Energy: 0.565533920847168
Energy: 0.6196539660131569
Energy: 0.5683716155893022
Energy: 0.5683121623910279
Energy: 0.6212341673169259
Energy: 0.5665858414771641
Energy: 0.6186785164904482
Energy: 0.6186184919012805
Energy: 0.5680722556127186
Energy: 0.5739062389046724
Energy: 0.618836433476789
Energy: 0.5668237391410047
Energy: 0.5896942454754373
Energy: 0.7149572235437285
Energy: 0.6165668685096867
Energy: 0.5975981477944826
Energy: 0.614265305141902
Energy: 0.6248169412439828
Energy: 0.6009972999504473
Energy: 0.5807823329144303
Energy: 0.7142527639885007
Energy: 0.7140691405488934
Energy: 0.578220748995219
Energy: 0.7200168293621961
Energy: 0.5949983758905386
Energy: 0.6412127477886138
Energy: 0.6961623846954632
Energy: 0.7008889950545262
Energy: 0.6304277855081046
Energy: 0.6989537213232516
Energy: 0.5942549722483795
Energy: 0.7936459706293226
Energy: 0.7139974899921889
Energy: 0.6495206652950531
Energy: 0.7145247600552139
Energy: 0.6241434366647785
Energy: 0.5966747608132926
Energy: 0.8576860122163208
Energy: 0.6123540710773554
Energy: 0.6119579081811088
Energy: 0.6972475226887977
Energy: 0.5997046408486616
Energy: 0.7016862726926794
Energy: 0.8504983442489078
Energy: 0.6604349555996964
Energy: 0.68268998413376
Energy: 0.7151692211569886
Energy: 0.6974904176447992
Energy: 0.7007630816738349
Energy: 0.5895891731998143
Energy: 0.7086971178910189
Energy: 0.7782611795843523
Energy: 0.6283303639460672
Energy: 0.7020107540889058
Energy: 0.6313681751478004
Energy: 0.5918617966087454
Energy: 0.7067925800644739
Energy: 0.7017193259628333
Energy: 0.5932857693394965
Energy: 0.697657172664039
Energy: 0.6623713877421696
Energy: 0.8492299236619897
Energy: 0.6220447969767241
Energy: 0.7008571532819283
Energy: 0.7152683912936059
Energy: 0.5771930266013751
Energy: 0.6615790646625228
Energy: 0.7137372891294284
Energy: 0.5763233044418106
Energy: 0.6043273223169896
Energy: 0.7139124671746973
Energy: 0.5762408783821689
Energy: 0.6104529440948357
Energy: 0.6299807979926807
Energy: 0.5941425377382483
Energy: 0.5986587206568805
Energy: 0.6268909820730123
Energy: 0.6136798652318691
Energy: 0.6169828223508422
Energy: 0.5707300820744724
Energy: 0.6013917878646068
Energy: 0.6038920474738128
Energy: 0.5742215536257416
Energy: 0.5954734233477548
Energy: 0.5747443848238575
Energy: 0.5767854858428005
Energy: 0.6250074107189509
Energy: 0.618992087252357
Energy: 0.5769629509858698
Energy: 0.620992970820452
Energy: 0.6187079895889979
Energy: 0.5801367068183746
Energy: 0.5680877867978873
Energy: 0.5687627289173806
Energy: 0.5676852698074706
Energy: 0.6186863373824648
Energy: 0.5687624542704885
Energy: 0.5800727367458931
Energy: 0.5587116035794492
Energy: 0.565431044179335
Energy: 0.5803186507119489
Energy: 0.5592589060987276
Energy: 0.5649933229708669
Energy: 0.5843851187290603
Energy: 0.564446486553815
Energy: 0.564595652593788
Energy: 0.5855051335426426
Energy: 0.5599465645541833
Energy: 0.5747978926172264
Energy: 0.5807993670716851
Energy: 0.56456940162336
Energy: 0.5644825509651329
Energy: 0.5721506162534113
Energy: 0.5608580040773499
Energy: 0.564430597531711
Energy: 0.5882492034286163
Energy: 0.5853618730992594
Energy: 0.5805137523115899
Energy: 0.5884867173393884
Energy: 0.5815161350875793
Energy: 0.58052113649186
Energy: 0.633547232513138
Energy: 0.5713487031705765
Energy: 0.5677857419899692
Energy: 0.5661856874292693
Energy: 0.5652431684365214
Energy: 0.5691183877218441
Energy: 0.6252355230066975
Energy: 0.5680154465318513
Energy: 0.5679296429955715
Energy: 0.6256391821046127
Energy: 0.5682135223643496
Energy: 0.5687722725830779
Energy: 0.6263254467498756
Energy: 0.5667924094961615
Energy: 0.5938196125440225
Energy: 0.6272186449680974
Energy: 0.5669962965429839
Energy: 0.6149957326937083
Energy: 0.7981278819922394
Energy: 0.5943868456535797
Energy: 0.5941524124043673
Energy: 0.6165966931659289
Energy: 0.6245084145618911
Energy: 0.5895415646526785
Energy: 0.5865858738031854
Energy: 0.7187976985172452
Energy: 0.7143814331215239
Energy: 0.6064017151926466
Energy: 0.7155941876063462
Energy: 0.6167404539569558
Energy: 0.6104283013310684
Energy: 0.6856314973757893
Energy: 0.6116935473832928
Energy: 0.5905039284959043
Energy: 0.6788791825501431
Energy: 0.60380686995909
Energy: 0.6186767764759238
Energy: 0.697714300112184
Energy: 0.6795830443387632
Energy: 0.6296539837961659
Energy: 0.7171324701770473
Energy: 0.6239254781832444
Energy: 0.799524340890444
Energy: 0.595837456058089
Energy: 0.6885414738637858
Energy: 0.7012095615636782
Energy: 0.5964896784172954
Energy: 0.6921448732954567
Energy: 0.8555094396882347
Energy: 0.6483696129380001
Energy: 0.5975573625387804
Energy: 0.715303251904935
Energy: 0.6284981920035353
Energy: 0.6813442414720262
Energy: 0.5932246387342512
Energy: 0.7063602115752828
Energy: 0.701279380148845
Energy: 0.5910056979756041
Energy: 0.7142203563202653
Energy: 0.6620624628788151

minimum gb energy = 0.5587116035794492 eV
minimum distance =  2.3767827815419 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5396422123096895
Energy: 0.7307598054719164
Energy: 0.6178572545891555
Energy: 0.5521340912945198
Energy: 0.8959894182744236
Energy: 0.618289657715225
Energy: 0.7104171589135065
Energy: 0.5655076390687366
Energy: 0.5669570911094287
Energy: 0.6536186844112758
Energy: 0.5700773411826283
Energy: 0.5651594498396358
Energy: 0.8058618197820765
Energy: 0.5420666464653092
Energy: 0.5426202110259323
Energy: 0.6938059607676118
Energy: 0.5419535618788912
Energy: 0.5817259730089747
Energy: 0.6888762216052132
Energy: 0.5418378332495584
Energy: 0.6110477363438344
Energy: 0.5915193169932174
Energy: 0.5434331259369938
Energy: 0.6138432996736713
Energy: 0.5938621511181413
Energy: 0.5653234703697372
Energy: 0.5683142286035714
Energy: 0.5936355800060337
Energy: 0.5884497550983996
Energy: 0.5654369390875387
Energy: 0.5461746830609642
Energy: 0.5634528492754243
Energy: 0.5409655632369702
Energy: 0.5243890469843101
Energy: 0.5991388685233492
Energy: 0.5417478581284607
Energy: 0.5532721717107649
Energy: 0.6053306309140086
Energy: 0.599120742559461
Energy: 0.5314842905836485
Energy: 0.6042687673324383
Energy: 0.5360824481757287
Energy: 0.7238179926051679
Energy: 0.5201264611823799
Energy: 0.5200701795725379
Energy: 0.5345697039188898
Energy: 0.5198427901028175
Energy: 0.5306460258979514
Energy: 0.556246019540777
Energy: 0.552556433934669
Energy: 0.554242568534798
Energy: 0.5577510111493199
Energy: 0.5596891004763379
Energy: 0.5539336446451183
Energy: 0.5670248632454966
Energy: 0.5260021826944504
Energy: 0.525451288124515
Energy: 0.5532144043147157
Energy: 0.5253738419898145
Energy: 0.526271091404492
Energy: 0.5386991582170263
Energy: 0.5330058962119214
Energy: 0.5298184437006267
Energy: 0.5147917228412195
Energy: 0.5458930696876602
Energy: 0.5167675807118207
Energy: 0.5570873870922646
Energy: 0.5401607809273404
Energy: 0.5447636562668234
Energy: 0.5337794627982788
Energy: 0.537471673895795
Energy: 0.5191798871693404
Energy: 0.5333086091592194
Energy: 0.5689217983376282
Energy: 0.5233829107261323
Energy: 0.5219903612084883
Energy: 0.5738424531337435
Energy: 0.523114028820507
Energy: 0.5341406832018972
Energy: 0.5186949674475747
Energy: 0.5341796885722317
Energy: 0.5352966526118533
Energy: 0.5388322653300829
Energy: 0.5445264523268853
Energy: 0.5325946256476769
Energy: 0.5180003383121605
Energy: 0.5173382115259477
Energy: 0.5329402424958714
Energy: 0.5195789055409076
Energy: 0.5172420892996786
Energy: 0.5654783618201299
Energy: 0.5649884388432147
Energy: 0.5234250489700226
Energy: 0.5243366451019832
Energy: 0.5627810753564372
Energy: 0.5222567961625835
Energy: 0.5347479320527895
Energy: 0.5630210546234675
Energy: 0.5532187900774606
Energy: 0.5251512929198316
Energy: 0.5598720857119504
Energy: 0.5361416750089744
Energy: 0.5362450079413145
Energy: 0.5393390892449987
Energy: 0.5400580043297827
Energy: 0.5368956264079621
Energy: 0.5393586954682448
Energy: 0.5402192926360359
Energy: 0.5996617105744161
Energy: 0.5372093854933118
Energy: 0.5659089826039582
Energy: 0.6013221839008036
Energy: 0.5394015555447633
Energy: 0.5996520686346475
Energy: 0.6808907586794788
Energy: 0.5439278121661509
Energy: 0.5432232718940733
Energy: 0.5882247122081156
Energy: 0.5340864425459443
Energy: 0.5663824054497925
Energy: 0.7512371661218614
Energy: 0.5906624587781131
Energy: 0.5898967650593484
Energy: 0.5882008155328147
Energy: 0.589830297566494
Energy: 0.566401191342964
Energy: 0.5338113251281645
Energy: 0.699005559059789
Energy: 0.6000007742625643
Energy: 0.5325009022824175
Energy: 0.6959753818757033
Energy: 0.5629406238748015
Energy: 0.5577822298470063
Energy: 0.6367549026279445
Energy: 0.6308334150595815
Energy: 0.5696187223252073
Energy: 0.6904035459522598
Energy: 0.6282607050761921
Energy: 0.7513820579729968
Energy: 0.5927368000439887
Energy: 0.5658542834797747
Energy: 0.5897675296143019
Energy: 0.5991691299438836
Energy: 0.5692564575009261
Energy: 0.8099504677752494
Energy: 0.565556871851518
Energy: 0.5619629689314839
Energy: 0.6694774290029265
Energy: 0.5656724790247748
Energy: 0.651585567947819
Energy: 0.8015382321807856
Energy: 0.6321141414284536
Energy: 0.6330569696434152
Energy: 0.6906935185155506
Energy: 0.653396593658022
Energy: 0.5626528523838698
Energy: 0.5383768175997387
Energy: 0.6715120527467683
Energy: 0.6096945638422826
Energy: 0.544184713697987
Energy: 0.6764567614361271
Energy: 0.5823058399192556

minimum gb energy = 0.5147917228412195 eV
minimum distance =  2.38820621866296 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.46303809394533835
Energy: 0.5934644117229598
Energy: 0.5499460056909895
Energy: 0.46781822868070705
Energy: 0.6875563090966127
Energy: 0.5174729524709224
Energy: 0.6590632262731291
Energy: 0.48153219966881255
Energy: 0.47746177649270316
Energy: 0.5590313533541943
Energy: 0.5125785368363586
Energy: 0.47820296101988635
Energy: 0.69008524440829
Energy: 0.45413833537516574
Energy: 0.4709988975281509
Energy: 0.5624120523930757
Energy: 0.45333964718317404
Energy: 0.4715613471018684
Energy: 0.6013001820191701
Energy: 0.47022297655106465
Energy: 0.4718639359250116
Energy: 0.5140992987407402
Energy: 0.5599184554501675
Energy: 0.5309255858147252
Energy: 0.532442396764663
Energy: 0.481738229655545
Energy: 0.4768971376806357
Energy: 0.5051135794599975
Energy: 0.5042725298656812
Energy: 0.47748385249679065
Energy: 0.4491516137235709
Energy: 0.5323792073025424
Energy: 0.46451192509723566
Energy: 0.46238209466702057
Energy: 0.531968250785557
Energy: 0.4717261294132403
Energy: 0.6341177918009511
Energy: 0.5321365003843881
Energy: 0.5320214394125721
Energy: 0.45517464179681943
Energy: 0.5372960868672777
Energy: 0.45327624797027566
Energy: 0.6279508184824025
Energy: 0.4381669721002412
Energy: 0.44635988764340123
Energy: 0.45484517962924176
Energy: 0.43732819966925557
Energy: 0.4451434963609987
Energy: 0.49387817955092195
Energy: 0.44460840048940076
Energy: 0.4999252846435574
Energy: 0.4953946582335062
Energy: 0.45798249582192174
Energy: 0.4918243255952331
Energy: 0.47916485826420424
Energy: 0.43997542558073754
Energy: 0.4400998060092482
Energy: 0.49226488818146685
Energy: 0.43947281672507416
Energy: 0.43975887174949585
Energy: 0.4454886559729755
Energy: 0.467460061468685
Energy: 0.4377430596875491
Energy: 0.4519786231264568
Energy: 0.4677735914173256
Energy: 0.4351289904161331
Energy: 0.4961377331009483
Energy: 0.46765884289938037
Energy: 0.4677642005894191
Energy: 0.4366998480550361
Energy: 0.4740326805191055
Energy: 0.4429893027497877
Energy: 0.6016899012490557
Energy: 0.4662496170969135
Energy: 0.4714708105403267
Energy: 0.47055194463780514
Energy: 0.4644339642680591
Energy: 0.47191040884607943
Energy: 0.453761447045141
Energy: 0.435036481692692
Energy: 0.4536061841656035
Energy: 0.4548922476029124
Energy: 0.4472911084930516
Energy: 0.45372784902523416
Energy: 0.45340306158786353
Energy: 0.4312701432919424
Energy: 0.43082685611509003
Energy: 0.45347551895722876
Energy: 0.4317265544309575
Energy: 0.43037584446788396
Energy: 0.44828853507745525
Energy: 0.44701024896375696
Energy: 0.4325997112392445
Energy: 0.42889626000912257
Energy: 0.4470763511679282
Energy: 0.42835552317684267
Energy: 0.45641079827225833
Energy: 0.44694890695613515
Energy: 0.44709182672880915
Energy: 0.4324107539771986
Energy: 0.44704231132064154
Energy: 0.4336887238331868
Energy: 0.4473288907636209
Energy: 0.43309165426507223
Energy: 0.43393263381515546
Energy: 0.44702077981824806
Energy: 0.46230109106970196
Energy: 0.4336617425329801
Energy: 0.4474112976329712
Energy: 0.44518189978654504
Energy: 0.4472369028416317
Energy: 0.44855981672849615
Energy: 0.5269099503810949
Energy: 0.44711213772204605
Energy: 0.4470310284219809
Energy: 0.4378458540020114
Energy: 0.4383654739202065
Energy: 0.4477535936151726
Energy: 0.46216123710792373
Energy: 0.4383323338519564
Energy: 0.4705440747115852
Energy: 0.4535379953155281
Energy: 0.4536722450513862
Energy: 0.4519541255084157
Energy: 0.4537092905722086
Energy: 0.43830813355350867
Energy: 0.47139683899431595
Energy: 0.453588678503778
Energy: 0.44908556480079037
Energy: 0.43109438352430945
Energy: 0.45383192007448625
Energy: 0.4311134266456203
Energy: 0.46759208783212397
Energy: 0.43405719935063386
Energy: 0.4337735965754859
Energy: 0.4676219965407077
Energy: 0.43370494745322735
Energy: 0.43374166963600935
Energy: 0.4678068791097517
Energy: 0.4433461886210099
Energy: 0.46771959545010244
Energy: 0.46915412152237057
Energy: 0.44571042432077496
Energy: 0.46752012246950747
Energy: 0.6123767861243778
Energy: 0.45355763762417173
Energy: 0.46204151268697213
Energy: 0.48465247774053477
Energy: 0.4530160397791289
Energy: 0.4609802116602627
Energy: 0.5656869467910357
Energy: 0.4921731343691685
Energy: 0.49181168298588
Energy: 0.4387646927838624
Energy: 0.4922537174229374
Energy: 0.4452406889714313
Energy: 0.44768138969467847
Energy: 0.49176786782671417
Energy: 0.45262609438315915
Energy: 0.43812888782837617
Energy: 0.49173840007093267
Energy: 0.4425840962722428
Energy: 0.49208541781802345
Energy: 0.45619739949476085
Energy: 0.45465108409129323
Energy: 0.4966585290720582
Energy: 0.47868755547536523
Energy: 0.45358611920033653
Energy: 0.5344852697531206
Energy: 0.45674774362020965
Energy: 0.5355565531616342
Energy: 0.5357232010491709
Energy: 0.4557400085962113
Energy: 0.5319722429534365
Energy: 0.6494965458961611
Energy: 0.4459249086467149
Energy: 0.4583681667309207
Energy: 0.5127792657278047
Energy: 0.445563989419233
Energy: 0.4580829272477895
Energy: 0.6483904230008259
Energy: 0.5123590002448085
Energy: 0.5124056923185182
Energy: 0.5125150705074375
Energy: 0.5123056081022477
Energy: 0.4807349956085276
Energy: 0.45534724096332035
Energy: 0.5652312160879585
Energy: 0.4845971040785832
Energy: 0.45432617337521225
Energy: 0.6004609151208263
Energy: 0.47191954245955964
Energy: 0.5967502129258773
Energy: 0.5154575280388614
Energy: 0.5156779668311163
Energy: 0.5157176451956463
Energy: 0.5596579474002784
Energy: 0.5161034270367238
Energy: 0.6502384947801982
Energy: 0.4872829095513897
Energy: 0.48707675493268593
Energy: 0.5140674435178212
Energy: 0.5643205551833889
Energy: 0.5590583760111613
Energy: 0.6910459270602768
Energy: 0.46891225563875155
Energy: 0.4912898827770896
Energy: 0.5624637226122169
Energy: 0.4686406737776655
Energy: 0.5196577544662263
Energy: 0.6590632234633191
Energy: 0.5147072188078875
Energy: 0.5155606290614211
Energy: 0.6006119319010758
Energy: 0.5584606235678317
Energy: 0.4789999849271437

minimum gb energy = 0.42835552317684267 eV
minimum distance =  2.41502008533733 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.03646813631196612
Energy: 0.06705333577635113
Energy: 0.03703736006942159
Energy: 0.03853875379047188
Energy: 0.11415659966465694
Energy: 0.03704795484439259
Energy: 0.06724868202513574
Energy: 0.0374045240129104
Energy: 0.03741861607355038
Energy: 0.06844613378097705
Energy: 0.03843912999877784
Energy: 0.03740623110121383
Energy: 0.06621327847684055
Energy: 0.03711974649413833
Energy: 0.03751542823243118
Energy: 0.0663273469756585
Energy: 0.03700931643103121
Energy: 0.06644674246054177
Energy: 0.03928849312417769
Energy: 0.037145082904096086
Energy: 0.03710095086394692
Energy: 0.041109921198793635
Energy: 0.03703906412817937
Energy: 0.0668316040941414
Energy: 0.06641253338423753
Energy: 0.06629254790020402
Energy: 0.0663781347202268
Energy: 0.06731138845533594
Energy: 0.06607038252902693
Energy: 0.06780757604674342
Energy: 0.03753520554762861
Energy: 0.037742090597312615
Energy: 0.037110178902259934
Energy: 0.038771387672430664
Energy: 0.037138171269831696
Energy: 0.03703213043799627
Energy: 0.06643566158614177
Energy: 0.037536983860059395
Energy: 0.03751617972986795
Energy: 0.06662884809996526
Energy: 0.039161553796377896
Energy: 0.03753944161444441
Energy: 0.06618895552849087
Energy: 0.03717679817406207
Energy: 0.03722726887961317
Energy: 0.06617492825098746
Energy: 0.0368895921095683
Energy: 0.06759691068577213
Energy: 0.03819368071158914
Energy: 0.0371537372660176
Energy: 0.06859315807210213
Energy: 0.03914039881016199
Energy: 0.037197564180108666
Energy: 0.06810884848830541
Energy: 0.037347838637845056
Energy: 0.06599119198538421
Energy: 0.06623499875508095
Energy: 0.0374034540696266
Energy: 0.06601929301178519
Energy: 0.06597219808967854

minimum gb energy = 0.03646813631196612 eV
minimum distance =  2.53116389329852 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5496937113944342
Energy: 0.5659117192405745
Energy: 0.5389443978924794
Energy: 0.512153495445123
Energy: 0.5335460012973342
Energy: 0.5140232129277543
Energy: 0.5359313580905934
Energy: 0.5391926741998115
Energy: 0.5415822254723807
Energy: 0.5386257816903589
Energy: 0.5419259647038607
Energy: 0.5418206410188243
Energy: 0.5535994565133017
Energy: 0.5158351971545982
Energy: 0.5158518402791523
Energy: 0.5360004586148192
Energy: 0.5128376889088598
Energy: 0.5324195245727886
Energy: 0.5193905280438582
Energy: 0.5161675832209599
Energy: 0.515778846281031
Energy: 0.5191203235909657
Energy: 0.4664538088385151
Energy: 0.5329336136164694
Energy: 0.47570333792642855
Energy: 0.5436423019831463
Energy: 0.5426185334601683
Energy: 0.4758741364794919
Energy: 0.5406632044050083
Energy: 0.5420097227720637
Energy: 0.5139465528636692
Energy: 0.5405864073816303
Energy: 0.5259462233294503
Energy: 0.44081693018204215
Energy: 0.5406964235461006
Energy: 0.4990092642398984
Energy: 0.5211105101195364
Energy: 0.4831926110927268
Energy: 0.4839118727122341
Energy: 0.5210588030310683
Energy: 0.4868028727133219
Energy: 0.5284871480444149
Energy: 0.5190381290165617
Energy: 0.5066743912229974
Energy: 0.5071129612426131
Energy: 0.5191021649080451
Energy: 0.4842736808186826
Energy: 0.4892798434672345
Energy: 0.5323225101163583
Energy: 0.5076080733226402
Energy: 0.5321673708958317
Energy: 0.5349661686735802
Energy: 0.446871177547626
Energy: 0.5322324353448763
Energy: 0.49213354985633484
Energy: 0.48205354002617523
Energy: 0.48156445946525445
Energy: 0.49254869941022844
Energy: 0.487003352198624
Energy: 0.4954311742674051
Energy: 0.5094642565299334
Energy: 0.5131919636272432
Energy: 0.5140354728582586
Energy: 0.43217334865558327
Energy: 0.5152588406758656
Energy: 0.4909688286267895
Energy: 0.4519045581373719
Energy: 0.5171154297262341
Energy: 0.5184496235976735
Energy: 0.45120937176272763
Energy: 0.5157528906011337
Energy: 0.45112228718963787
Energy: 0.45263888276751496
Energy: 0.48094148039902
Energy: 0.49599369655321635
Energy: 0.4526504580603962
Energy: 0.41889372018911813
Energy: 0.47445995069172453
Energy: 0.506733437631944
Energy: 0.47466716783747115
Energy: 0.49806531605389837
Energy: 0.45431811506526804
Energy: 0.4336029998887671
Energy: 0.49761948980459997
Energy: 0.5033019088752809
Energy: 0.43007477934797894
Energy: 0.42980276823686897
Energy: 0.5013348217248786
Energy: 0.4350990119070011
Energy: 0.43012085107057396
Energy: 0.5008730644101134
Energy: 0.48718470932895974
Energy: 0.4870388077277032
Energy: 0.48424790355856484
Energy: 0.49783874548545254
Energy: 0.48682406725774235
Energy: 0.42534100230990735
Energy: 0.48670456007013096
Energy: 0.4852517094766343
Energy: 0.4190764530401454
Energy: 0.48807043372658265
Energy: 0.4188715746964906
Energy: 0.41994057127809575
Energy: 0.481422936610326
Energy: 0.4817124059859489
Energy: 0.41995287759614947
Energy: 0.421251726020073
Energy: 0.48209897669247387
Energy: 0.49391821345612086
Energy: 0.4563403508181088
Energy: 0.48072045622479515
Energy: 0.4535351037249943
Energy: 0.45477329940158084
Energy: 0.48103729591512195
Energy: 0.4974693714239932
Energy: 0.41910912734916533
Energy: 0.41887265360798304
Energy: 0.49859176669231625
Energy: 0.4244600465668058
Energy: 0.4191520116369048
Energy: 0.49738442517560344
Energy: 0.4837667736596423
Energy: 0.4868618897374925
Energy: 0.4971774389011334
Energy: 0.501973720202415
Energy: 0.48551984890974376
Energy: 0.4333827725226009
Energy: 0.48400537393920046
Energy: 0.48454961901307136
Energy: 0.43110264567852596
Energy: 0.48531553467403016
Energy: 0.4299844446034495
Energy: 0.43009521084546104
Energy: 0.4980095913104322
Energy: 0.4981569509019506
Energy: 0.43013546990671786
Energy: 0.45327928860217026
Energy: 0.49573830509833317
Energy: 0.5040767015512752
Energy: 0.45263327620160004
Energy: 0.48013379945052564
Energy: 0.4634848967871387
Energy: 0.4524032723093058
Energy: 0.48624753711413465
Energy: 0.5231012779152546
Energy: 0.45113709065934354
Energy: 0.4509295307555401
Energy: 0.5229082329597061
Energy: 0.4569473091954843
Energy: 0.4513502393264715
Energy: 0.517910979790476
Energy: 0.5000685563863472
Energy: 0.5002868613480794
Energy: 0.5191624524308822
Energy: 0.4811412369093345
Energy: 0.5137104135998034
Energy: 0.48599054013676435
Energy: 0.4997534966926151
Energy: 0.4999843189683735
Energy: 0.4854584418065326
Energy: 0.5208080783047565
Energy: 0.4964005481820914
Energy: 0.46175375495255605
Energy: 0.5366192393549503
Energy: 0.5355666220575167
Energy: 0.4617371121144748
Energy: 0.47897619560964655
Energy: 0.5359829369528791
Energy: 0.5130828574099432
Energy: 0.5196366354760282
Energy: 0.5109032062923701
Energy: 0.43191413210928226
Energy: 0.5199889248655581
Energy: 0.4945207509283198
Energy: 0.48448521573859626
Energy: 0.5236013298098713
Energy: 0.5238592378760166
Energy: 0.48466283023590706
Energy: 0.5244642577563186
Energy: 0.5320756100048686
Energy: 0.521382287687221
Energy: 0.5119807887461503
Energy: 0.5125062837549049
Energy: 0.5216197761391117
Energy: 0.4859609475499157
Energy: 0.5126699789236471
Energy: 0.5560197084934823
Energy: 0.5100817190603567
Energy: 0.5407517009365416
Energy: 0.5375646729997556
Energy: 0.48784025756818394
Energy: 0.5419473930649586
Energy: 0.48657250662683993
Energy: 0.5185949929443533
Energy: 0.51780182824875
Energy: 0.4863763306823695
Energy: 0.5238003849550644
Energy: 0.5140595786012067

minimum gb energy = 0.4188715746964906 eV
minimum distance =  2.35335059513706 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6622274878176431
Energy: 0.6635917496167292
Energy: 0.6515321147328814
Energy: 0.55150254361123
Energy: 0.6596373819115704
Energy: 0.6551846793259979
Energy: 0.6353079676413088
Energy: 0.6536670863791227
Energy: 0.6460099264029733
Energy: 0.6514915285545864
Energy: 0.6533134397776099
Energy: 0.6486878035764705
Energy: 0.6703226985782221
Energy: 0.6276041638711471
Energy: 0.6463106927217567
Energy: 0.6507324627032695
Energy: 0.6285805776971833
Energy: 0.6425427946920517
Energy: 0.6195581529003167
Energy: 0.6431422709420066
Energy: 0.6427557412384959
Energy: 0.6195873631256242
Energy: 0.6370810787468087
Energy: 0.6421072077482819
Energy: 0.6131483877507535
Energy: 0.6538230713980658
Energy: 0.6508172450760348
Energy: 0.6134645816460376
Energy: 0.6544461982895523
Energy: 0.649046656236883
Energy: 0.6225910672718116
Energy: 0.644372561907091
Energy: 0.6299098644577038
Energy: 0.5686331284116973
Energy: 0.6444061127998941
Energy: 0.6290319841545615
Energy: 0.6236898134068259
Energy: 0.6212084657288878
Energy: 0.6188019103030465
Energy: 0.6224462297886247
Energy: 0.6189705377862516
Energy: 0.617508495879091
Energy: 0.6206470907331874
Energy: 0.609932211487157
Energy: 0.6151113851985684
Energy: 0.6154568652830789
Energy: 0.5418020672479962
Energy: 0.61725555024466
Energy: 0.6301755480226412
Energy: 0.6341177156227152
Energy: 0.6368746672413573
Energy: 0.6321964363241237
Energy: 0.5687326301152539
Energy: 0.6366910796436392
Energy: 0.633423734074432
Energy: 0.5721556164951126
Energy: 0.568960302892626
Energy: 0.633699797994518
Energy: 0.5706141381978509
Energy: 0.5689582562200104
Energy: 0.6302254335693126
Energy: 0.6163039117494513
Energy: 0.6156566033160944
Energy: 0.5423107758101989
Energy: 0.6162320247439327
Energy: 0.6164672533007256
Energy: 0.5468423453150489
Energy: 0.6121082884804414
Energy: 0.6123482314343601
Energy: 0.5465680595482185
Energy: 0.5715329031007271
Energy: 0.5409654256386536
Energy: 0.5486027575113014
Energy: 0.607037396200887
Energy: 0.6057443308589175
Energy: 0.5415012403668331
Energy: 0.5441343177805542
Energy: 0.5413421486387816
Energy: 0.6139432376195492
Energy: 0.6077359859739144
Energy: 0.6052561867979562
Energy: 0.5424400881572872
Energy: 0.5821211950152289
Energy: 0.6044065428299945
Energy: 0.6159379505347001
Energy: 0.5446667892169536
Energy: 0.5490148357806632
Energy: 0.6161017729892835
Energy: 0.5435826535325808
Energy: 0.5417527318552523
Energy: 0.6164603034767743
Energy: 0.6174205010451396
Energy: 0.6139151823677644
Energy: 0.5709292153862866
Energy: 0.5896211371941519
Energy: 0.6119240563104463
Energy: 0.5737007880708114
Energy: 0.608006035832196
Energy: 0.604500378527215
Energy: 0.5742267254501184
Energy: 0.5365163164389567
Energy: 0.5684731293285117
Energy: 0.5687279202130374
Energy: 0.6339677444209568
Energy: 0.6377473539282319
Energy: 0.569143570504863
Energy: 0.6340105317047158
Energy: 0.6113951983843834
Energy: 0.613840681602485
Energy: 0.631142868006559
Energy: 0.6207279793600721
Energy: 0.5500875553010092
Energy: 0.6310901269635582
Energy: 0.6205599175751801
Energy: 0.6235488850126577
Energy: 0.6259968837334351
Energy: 0.6189855829696577
Energy: 0.623786972747292
Energy: 0.6195398759246913
Energy: 0.6170271263129623
Energy: 0.6174477130525461
Energy: 0.6423350224951451
Energy: 0.6398912361337795
Energy: 0.61761898513908
Energy: 0.6161368987674847
Energy: 0.6417756401449289
Energy: 0.6697933490537274
Energy: 0.6151565127993827
Energy: 0.6401885223869135
Energy: 0.6506647258687083
Energy: 0.6151253727629247
Energy: 0.6415053182381271
Energy: 0.6354977456454876
Energy: 0.6199487518937311
Energy: 0.6262357230819533
Energy: 0.6359681011367082
Energy: 0.6178500409568307
Energy: 0.6175072547305163

minimum gb energy = 0.5365163164389567 eV
minimum distance =  2.34849976145035 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.7653293085205083
Energy: 0.7595552511843612
Energy: 0.7617764173330597
Energy: 0.7443205915511489
Energy: 0.7455930583414692
Energy: 0.7222578581890572
Energy: 0.7114821460899443
Energy: 0.6795467816413152
Energy: 0.6793847502183475
Energy: 0.6773422964991785
Energy: 0.7460959515035911
Energy: 0.6355099353326797
Energy: 0.7574765837426649
Energy: 0.6707756617069043
Energy: 0.7180071487505607
Energy: 0.7299813304308373
Energy: 0.6776289159341796
Energy: 0.6801645333280437
Energy: 0.6806831505758748
Energy: 0.7018668001551732
Energy: 0.7179761157921742
Energy: 0.6807860294738772
Energy: 0.7283989362083992
Energy: 0.7190547284985189
Energy: 0.6792904416942313
Energy: 0.6822329602551792
Energy: 0.6280540022201695
Energy: 0.679112631171604
Energy: 0.681797463275542
Energy: 0.6341644614716835
Energy: 0.7144351178841833
Energy: 0.6280838048627163
Energy: 0.627451210005219
Energy: 0.6291963344482003
Energy: 0.6274118112633924
Energy: 0.6363676738087843
Energy: 0.6793518827400447
Energy: 0.6290687214416074
Energy: 0.6280244608338841
Energy: 0.679455446123521
Energy: 0.6282280102176022
Energy: 0.6790954560782444
Energy: 0.6805369456254379
Energy: 0.6253701952121027
Energy: 0.6416556545865503
Energy: 0.6804134282358087
Energy: 0.6303879738784153
Energy: 0.6337513360522574
Energy: 0.6991318802176479
Energy: 0.6778529314056563
Energy: 0.7058285702803312
Energy: 0.6345053181124894
Energy: 0.6282184462916655
Energy: 0.7025300823138573
Energy: 0.6991932938108403
Energy: 0.6309966136679401
Energy: 0.626991404837434
Energy: 0.7001875371301078
Energy: 0.6272837795177452
Energy: 0.6266710875125201
Energy: 0.6642853820184453
Energy: 0.672229641493683
Energy: 0.6876626453376753
Energy: 0.6293875348498154
Energy: 0.6646365208781513
Energy: 0.6860836490978054
Energy: 0.6259232834429139
Energy: 0.6278650797438343
Energy: 0.6289669220129331
Energy: 0.6257759210250984
Energy: 0.6383230823838275
Energy: 0.6261986699834519
Energy: 0.6264069686862643
Energy: 0.7032996657567722
Energy: 0.7037663813818055
Energy: 0.6263950713496083
Energy: 0.6354441242735567
Energy: 0.6264394627781654
Energy: 0.6137584447914534
Energy: 0.6330327533258129
Energy: 0.6995392795412225
Energy: 0.6144227914130171
Energy: 0.6992484727638297
Energy: 0.68440891382544
Energy: 0.7090043950105334
Energy: 0.6831754637607759
Energy: 0.6331863437340107
Energy: 0.6120341920766027
Energy: 0.6801218571181488
Energy: 0.6776209655601597
Energy: 0.6735593268437027
Energy: 0.6114755024381389
Energy: 0.6105283412246385
Energy: 0.6743988532549356
Energy: 0.6379175660677654
Energy: 0.6739365255859516
Energy: 0.7595869985873521
Energy: 0.6375110329015314
Energy: 0.6113213369366198
Energy: 0.7303168130629583
Energy: 0.6424912087348746
Energy: 0.6106164755497172
Energy: 0.7597205711252578
Energy: 0.6808314590427426
Energy: 0.6791437909919139
Energy: 0.6766875759650196
Energy: 0.6799950539076111
Energy: 0.7280001985553144
Energy: 0.7173156874283283
Energy: 0.7315759545428767
Energy: 0.7346458733145863
Energy: 0.6429562706178145
Energy: 0.7315385474802908
Energy: 0.7048069417063134
Energy: 0.7112040887305826
Energy: 0.6821392715735485
Energy: 0.6827707257164526
Energy: 0.7117159971803266
Energy: 0.6818884658867526
Energy: 0.6341847708707793
Energy: 0.7609573767150749
Energy: 0.7121332020204012
Energy: 0.6297405514210347
Energy: 0.7314379995254189
Energy: 0.6845296919571408
Energy: 0.6296148975523342
Energy: 0.7326096150842426
Energy: 0.6711231668330179
Energy: 0.7180459934043499
Energy: 0.7321847311952862
Energy: 0.6711774509004137
Energy: 0.7195237724249086
Energy: 0.6791690063184002
Energy: 0.6827505448589645
Energy: 0.6345728007445596
Energy: 0.6793958814828529
Energy: 0.6823641171346033
Energy: 0.6783024252792237
Energy: 0.7143042976220861
Energy: 0.6272413291133772
Energy: 0.6276234455207372
Energy: 0.6253776882310897
Energy: 0.6266804542837333
Energy: 0.6944842116531819
Energy: 0.678836837912887
Energy: 0.6281854817017304
Energy: 0.6278011793727094
Energy: 0.6789893074744555
Energy: 0.6281985363832128
Energy: 0.7243265497535906
Energy: 0.6840277864362629
Energy: 0.6256299302012842
Energy: 0.7021465174168061
Energy: 0.6803555663367199
Energy: 0.6297175338490112
Energy: 0.6351362158735173
Energy: 0.6984503704399679
Energy: 0.6767994375628003
Energy: 0.7069103574930808
Energy: 0.7017505095776372
Energy: 0.6425316859567737
Energy: 0.7034155564080059
Energy: 0.6991438242334813
Energy: 0.6268125925634654
Energy: 0.6268987491010272
Energy: 0.700079236898525
Energy: 0.627711915256384
Energy: 0.6265059060765777
Energy: 0.6630640069551278
Energy: 0.6656272551578155
Energy: 0.6844519855305568
Energy: 0.6302051497695214
Energy: 0.6635396510410067
Energy: 0.6880005217106219
Energy: 0.6257881589913072
Energy: 0.6270431187728556
Energy: 0.6286455445051085
Energy: 0.6258501272210835
Energy: 0.6405857858079486
Energy: 0.6263895309412454
Energy: 0.6286038578470103
Energy: 0.7015041927922973
Energy: 0.6695080898814028
Energy: 0.6267240306671237
Energy: 0.6345850380928266
Energy: 0.6262711005507374
Energy: 0.6112548264591928
Energy: 0.6325578639678808
Energy: 0.6987845497417005
Energy: 0.6145917688201111
Energy: 0.7031281122668013
Energy: 0.6850268823528779
Energy: 0.7031424291940599
Energy: 0.6841030335230818
Energy: 0.6363556032636383
Energy: 0.6130276976992051
Energy: 0.6810119758992298
Energy: 0.6741422847911986
Energy: 0.6733738363705312
Energy: 0.7157680851435827
Energy: 0.6730180369782552
Energy: 0.6336877159791858
Energy: 0.6383144482189852
Energy: 0.6727747402038423
Energy: 0.8000953627487971
Energy: 0.6376948764325405
Energy: 0.6112145313789513
Energy: 0.7329597843535427
Energy: 0.6151373822969678
Energy: 0.6108266145314446
Energy: 0.7635686298519537
Energy: 0.682298432838317
Energy: 0.632646750496417
Energy: 0.6824005803256492
Energy: 0.6822435862864212
Energy: 0.6325716145919719
Energy: 0.7176013833747341
Energy: 0.7314257457331633
Energy: 0.7340765319758625
Energy: 0.6407890194662572
Energy: 0.7313953543965628
Energy: 0.7040038936998905

minimum gb energy = 0.6105283412246385 eV
minimum distance =  2.36729674153232 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8735928981318151
Energy: 0.8404484615532105
Energy: 0.8402968657169955
Energy: 0.7380307958580862
Energy: 0.7714295678065538
Energy: 0.8391089401640757
Energy: 0.7936213629206504
Energy: 0.7756996870319868
Energy: 0.7768308591484419
Energy: 0.7733168342034552
Energy: 0.7749501823695196
Energy: 0.7525424190514501
Energy: 0.8781689488130786
Energy: 0.7371370423949445
Energy: 0.7347891963685202
Energy: 0.7737764744016828
Energy: 0.7404160949479908
Energy: 0.736795348977462
Energy: 0.776898730637067
Energy: 0.7373530606920803
Energy: 0.7353825060110616
Energy: 0.7772135205472049
Energy: 0.7385781092135151
Energy: 0.7617232255387736
Energy: 0.7608216652256947
Energy: 0.7765965516979066
Energy: 0.7544778143968981
Energy: 0.7610658059935779
Energy: 0.7761073690906188
Energy: 0.7376598492239481
Energy: 0.774588577665446
Energy: 0.7788073145551497
Energy: 0.7369848874362994
Energy: 0.7634065244691874
Energy: 0.7786448083384415
Energy: 0.7362334513658974
Energy: 0.7596661388781021
Energy: 0.739711164466852
Energy: 0.7510061140859462
Energy: 0.759715602763415
Energy: 0.7381355924476822
Energy: 0.7402801218948281
Energy: 0.7635783758812966
Energy: 0.738834589586552
Energy: 0.7372983129932605
Energy: 0.7644907976001353
Energy: 0.7646662550739928
Energy: 0.7643663092024923
Energy: 0.8038852373357024
Energy: 0.7385340972053135
Energy: 0.736577009962454
Energy: 0.8037606805279389
Energy: 0.7813701676131241
Energy: 0.7366152482179958
Energy: 0.7779775891621128
Energy: 0.7647159360278055
Energy: 0.7723911501107642
Energy: 0.7664109326762553
Energy: 0.760863474426231
Energy: 0.7365213144268695
Energy: 0.8304198450325219
Energy: 0.7741462035212915
Energy: 0.7407691552242424
Energy: 0.8297007861848453
Energy: 0.723236501397988
Energy: 0.740119537520583
Energy: 0.8825503240316126
Energy: 0.7228826115569731
Energy: 0.7234261219970269
Energy: 0.8836582641907745
Energy: 0.7226116976169566
Energy: 0.7742066036810668
Energy: 0.8812160759984615
Energy: 0.762839860724933
Energy: 0.7528658042669621
Energy: 0.7740813416577166
Energy: 0.7637887447668066
Energy: 0.7523807385877167
Energy: 0.7217956355799721
Energy: 0.7754843602213967
Energy: 0.7283779245668454
Energy: 0.7264668095710942
Energy: 0.775179689449647
Energy: 0.7246754274197155

minimum gb energy = 0.7217956355799721 eV
minimum distance =  2.35491068613186 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.8515480248624403
Energy: 1.1021678361197527
Energy: 0.9067705445784251
Energy: 0.8844195156543438
Energy: 0.8832635065571437
Energy: 0.8602569416351867
Energy: 0.9602123341356985
Energy: 0.8557283580388024
Energy: 0.8588085026910602
Energy: 0.8926303198572434
Energy: 0.8549849699449827
Energy: 0.8842004856730732
Energy: 1.0088465040074361
Energy: 0.8577990536273676
Energy: 0.8624032870447389
Energy: 0.8614631859425591
Energy: 0.8584941907881793
Energy: 0.8754524573384564
Energy: 0.8844589780761798
Energy: 0.8487238459177623
Energy: 0.8795941610808123
Energy: 0.857883740386378
Energy: 0.8509691134406427
Energy: 0.8791828821309159
Energy: 0.8789892437336755
Energy: 0.856742005023141
Energy: 0.8570069533081451
Energy: 0.8645000525463976
Energy: 0.8594856116450768
Energy: 0.8849509039336078
Energy: 0.9011143178456581
Energy: 0.8630442233062529
Energy: 0.8664372365479014
Energy: 0.8566951081464398
Energy: 0.8726197521397466
Energy: 0.8709900809080439
Energy: 0.8728571907446979
Energy: 0.8661887876370558
Energy: 0.8663824251219859
Energy: 0.8727991938447304
Energy: 0.8742602109883348
Energy: 0.8706048382702141
Energy: 0.8707963776785949
Energy: 0.8572773825771159
Energy: 0.8840645491078075
Energy: 0.8569414225267256
Energy: 0.8992980208436924
Energy: 0.8582686316773964
Energy: 0.8504921133273797
Energy: 0.8753039696898505
Energy: 0.8799439349705437
Energy: 0.84514184542114
Energy: 0.8635492657527405
Energy: 0.8469570041771759
Energy: 0.8503996616722634
Energy: 0.8749922023925836
Energy: 0.8804154994705667
Energy: 0.8472696284556474
Energy: 0.8616078768265335
Energy: 0.8509242203887194
Energy: 0.8711823568407772
Energy: 0.859151465293877
Energy: 0.8850076426763838
Energy: 0.8570169062832514
Energy: 0.8610174324957309
Energy: 0.8577677779191343
Energy: 0.856436029889721
Energy: 0.8550853961089386
Energy: 0.8616898689149595
Energy: 0.856769979608252
Energy: 0.8612985500235877
Energy: 0.871445621793014
Energy: 0.8550504722557278
Energy: 0.8574619948928087
Energy: 0.8571383615489637
Energy: 0.854879830972315
Energy: 0.8652341080206508
Energy: 0.8856288533340086
Energy: 0.8704669616208597
Energy: 0.8739578448857619
Energy: 0.86899802744042
Energy: 0.85845462231832
Energy: 0.8933537846241609
Energy: 0.8634003959384735
Energy: 0.8495998526282128
Energy: 0.8568931905441248
Energy: 0.8781022998689965
Energy: 0.8539448685381531
Energy: 0.8586326719544635
Energy: 0.8785297183714891
Energy: 0.8496603385891214
Energy: 0.8561654629156108
Energy: 0.8796175345827703
Energy: 0.850763677913086
Energy: 0.8588407184568257
Energy: 0.8493126319943989
Energy: 0.8487725982554246
Energy: 0.8536242579620568
Energy: 0.881025912312844
Energy: 0.8491833467561268
Energy: 0.8546319973100761
Energy: 0.8719510563347069
Energy: 0.8872769524198395
Energy: 0.8734786742692134
Energy: 0.8938102569038003
Energy: 0.8583795573337044
Energy: 0.9228738393312449
Energy: 0.8590138021332246
Energy: 0.8646121124955167
Energy: 0.8542522880441032
Energy: 0.8534870394027194
Energy: 0.8651583209561492
Energy: 0.8544775092212282
Energy: 0.8816433647353192
Energy: 0.8746955651900669
Energy: 0.8475141183961629
Energy: 0.859261487867633
Energy: 0.8601218129325715
Energy: 0.8514022593585042
Energy: 0.8731956448003324
Energy: 0.9285047346149782
Energy: 0.8507998302845877
Energy: 0.8737971633825135
Energy: 0.8574456379345256
Energy: 0.8510677808500026
Energy: 0.8567161150195753
Energy: 0.8903593010059992
Energy: 0.8569229212897146
Energy: 0.8560862042028831
Energy: 0.8707289924845762
Energy: 0.8579056140890386
Energy: 0.8711144014500148
Energy: 0.8711072176701802
Energy: 0.869158967919306
Energy: 0.8740058911534202
Energy: 0.8582152797686042
Energy: 0.8600616056941485
Energy: 0.8620984496878437
Energy: 0.9254274471195917
Energy: 0.8652654390422094
Energy: 0.8726013605505774
Energy: 0.8658741941079767
Energy: 0.8613766033965776
Energy: 0.8532763163811288
Energy: 0.9212415620344198
Energy: 0.8578943619636576
Energy: 0.8719937032373742
Energy: 0.9222831071782199
Energy: 0.8557570152858179
Energy: 0.8614264105764672
Energy: 0.9193314366611496
Energy: 0.8637576178693492
Energy: 0.879117169316692
Energy: 0.8584383604664972
Energy: 0.8532751572491833
Energy: 0.8792307718655805
Energy: 0.8984594651555361
Energy: 0.8550589689479052
Energy: 0.8494768341456596
Energy: 0.8587704436653549
Energy: 0.851079707061471
Energy: 0.878760303346919
Energy: 0.8987505918246593
Energy: 0.8505219586535743
Energy: 0.8790332301693877
Energy: 0.8583413426349162
Energy: 0.8538137331550607
Energy: 0.8782116676491463
Energy: 0.9125945003200137
Energy: 0.8596827904175179
Energy: 0.8606909408192696
Energy: 0.858876595534362
Energy: 0.881345699385426
Energy: 0.8678714233527962
Energy: 1.0080722212782451
Energy: 0.8554639539557656
Energy: 0.8839833560789662
Energy: 0.8657466886609105
Energy: 0.8551178464968
Energy: 0.8786926769008824
Energy: 0.8848017613333868
Energy: 0.8585129231098152
Energy: 0.8715155178338717
Energy: 0.8519142871288687
Energy: 0.8575573697541841
Energy: 0.8589517693708484

minimum gb energy = 0.84514184542114 eV
minimum distance =  2.34926787970138 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.184217696176574
Energy: 0.962839839268075
Energy: 0.9652886735848656
Energy: 0.961521815026434
Energy: 1.2713597062184117
Energy: 0.9635080601930762
Energy: 0.85061587023378
Energy: 0.8742394156857055
Energy: 0.8714783333441134
Energy: 0.8801911576623646
Energy: 0.8783507338709574
Energy: 0.8687221403777665
Energy: 0.9144010045746314
Energy: 0.8908256015463061
Energy: 0.8889506671854835
Energy: 0.9153212302823827
Energy: 0.87520518095664
Energy: 0.8726019467222853
Energy: 0.8724531441765053
Energy: 0.8764674116425106
Energy: 0.8677986429826982
Energy: 0.8735684833475559
Energy: 0.8713265121130946
Energy: 0.8688610088771178
Energy: 0.8774006749650485
Energy: 0.8760572066947914
Energy: 0.8718289796711048
Energy: 0.8743648686470183
Energy: 0.8737864352903869
Energy: 0.8693344810416053
Energy: 0.8744157442550972
Energy: 0.8800367232940588
Energy: 0.8779591047034874
Energy: 0.8779597772261788
Energy: 0.9163472751045291
Energy: 0.8715847716476447
Energy: 0.9130174204239164
Energy: 0.8891713040232195
Energy: 0.8942893548770047
Energy: 0.9140231570425892
Energy: 0.8853441872950103
Energy: 0.9339407514780419
Energy: 0.9553560531042591
Energy: 0.8762063951359759
Energy: 0.8725323189874992
Energy: 0.8767205719292024
Energy: 0.8749156643904871
Energy: 0.8679227660868587
Energy: 0.8512779615335339
Energy: 0.8751174698895012
Energy: 0.8891752366361828
Energy: 0.8557398203584489
Energy: 0.872325494157981
Energy: 0.8912242859549018
Energy: 0.8506256389933406
Energy: 0.8744272949411896
Energy: 0.8893734110578263
Energy: 0.855106791554125
Energy: 0.8734363306583234
Energy: 0.8524361682226216
Energy: 0.9133764268412102
Energy: 0.8773803466294161
Energy: 0.8806384013304319
Energy: 0.877019282683211
Energy: 0.875182108586522
Energy: 0.8683454481156909
Energy: 0.9042618168155065
Energy: 0.8920441573344235
Energy: 0.8893391526909277
Energy: 0.9044273929234393
Energy: 0.8937676023025246
Energy: 0.8755642185593637
Energy: 0.8808581455933276
Energy: 0.8738984157582107
Energy: 0.8993039416119375
Energy: 0.8797405671851136
Energy: 0.8774707747174822
Energy: 0.8680034103517411
Energy: 0.8734900365026018
Energy: 0.9153266761597635
Energy: 0.8749894237669525
Energy: 0.8780345367657897
Energy: 0.9158782314452023
Energy: 0.8772605640242008
Energy: 0.8781962590187389
Energy: 0.8866351026860517
Energy: 0.8697170758582279
Energy: 0.8764343009804665
Energy: 0.8862765704023083
Energy: 0.8680896417540949
Energy: 0.9163413819248688
Energy: 0.887149083264255
Energy: 0.8869340362646683
Energy: 0.914230281681043
Energy: 0.8867434422265364
Energy: 0.87816762944138
Energy: 0.8507060108853806
Energy: 0.8800747274017267
Energy: 0.8712586740080794
Energy: 0.8513069522898836
Energy: 0.878791480189923
Energy: 0.8723372103618268

minimum gb energy = 0.85061587023378 eV
minimum distance =  2.35843229458568 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4491634702754348
Energy: 0.9672124185106823
Energy: 0.9250547938716762
Energy: 0.9235483552904786
Energy: 1.3640688822811549
Energy: 0.9237298927276218
Energy: 0.9513636573994925
Energy: 0.9172029742483242
Energy: 0.9188854514414202
Energy: 0.9146936967553331
Energy: 0.9395102527903427
Energy: 0.9174035316849859
Energy: 0.9254755623623191
Energy: 0.924343709560168
Energy: 0.9213834477199943
Energy: 0.9053565988266796
Energy: 0.9141422196141865
Energy: 0.9187104559308652
Energy: 0.9110482657034283
Energy: 0.9159979852714768
Energy: 0.9307957123070314
Energy: 0.91375548441766
Energy: 0.9139156567291921
Energy: 0.9290370599808427
Energy: 0.9504034446089129
Energy: 0.8915274179038557
Energy: 0.8887824007343463
Energy: 0.8873041690468778
Energy: 0.8878500301121425
Energy: 0.8876351192043961
Energy: 0.9218710626566873
Energy: 0.9172870710171884
Energy: 0.9153261765040516
Energy: 0.9227466555078575
Energy: 0.9204433466762538
Energy: 0.9154642952560587
Energy: 0.9055289540903351
Energy: 0.9159337894779603
Energy: 0.9077143609912042
Energy: 0.8866940691398947
Energy: 0.9193410679121692
Energy: 0.9169837059539627
Energy: 0.941736044396024
Energy: 0.9157352119761225
Energy: 0.919583262686882
Energy: 0.9065521173045713
Energy: 0.9148074964772122
Energy: 0.9201978680600217
Energy: 0.9611220472966061
Energy: 0.8911402290423579
Energy: 0.8895412309906847
Energy: 0.9373526473646029
Energy: 0.887963769426696
Energy: 0.9203084760215335
Energy: 0.9609034954603523
Energy: 0.8895545880562121
Energy: 0.8870252448346523
Energy: 0.937404911610342
Energy: 0.9069479880842207
Energy: 0.8868933002208335
Energy: 0.9416738282588142
Energy: 0.9040540859555634
Energy: 0.9033042969604237
Energy: 0.9082182398676465
Energy: 0.9022245386930896
Energy: 0.8886657515058544
Energy: 0.9468783861584269
Energy: 0.916083179487823
Energy: 0.9225175679817846
Energy: 0.9269860224320524
Energy: 0.9144552383874947
Energy: 0.9168110966095467
Energy: 0.9609840404438096
Energy: 0.9162208246320329
Energy: 0.9168192618795893
Energy: 0.9275403264208153
Energy: 0.9133625540701295
Energy: 0.9149504524707375
Energy: 0.9474024960373141
Energy: 0.9143677020907285
Energy: 0.9157633771651869
Energy: 0.9278058664695362
Energy: 0.914835397442391
Energy: 0.9284642496507618
Energy: 0.941023032045962
Energy: 0.9029900909467854
Energy: 0.8862984310645853
Energy: 0.926633337159052
Energy: 0.9009491340491469
Energy: 0.89051175529449
Energy: 0.9256890701141312
Energy: 0.9276482800256484
Energy: 0.8853867476439955
Energy: 0.9262906479515156
Energy: 0.9354902419771051
Energy: 0.8855424713998653
Energy: 0.9317806765487585
Energy: 0.9272836215871904
Energy: 0.9294438790441669
Energy: 0.9334891239256784
Energy: 0.9132621030224446
Energy: 0.9155675470339595
Energy: 1.0297332274456068
Energy: 0.9159318085111954
Energy: 0.8875942846447858
Energy: 0.8915460625913623
Energy: 0.9326174840831137
Energy: 0.8878606157893894
Energy: 0.9266818173024725
Energy: 0.9149832804769211
Energy: 0.9230331686077685
Energy: 0.9269168668983265
Energy: 0.9088638225115673
Energy: 0.9195679507235852
Energy: 0.9259262454643842
Energy: 0.9299954603634993
Energy: 0.9242731219801863
Energy: 0.8871285746707589
Energy: 0.9145282210680236
Energy: 0.9194749141484051
Energy: 0.9310195962216069
Energy: 0.8890206018321682
Energy: 0.9175257623115511
Energy: 0.9145783944908805
Energy: 0.9299350780173098
Energy: 0.8866040077852602

minimum gb energy = 0.8853867476439955 eV
minimum distance =  2.35676063716898 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.8745811886043782
Energy: 0.8597978504529662
Energy: 0.856361847487092
Energy: 0.8746884342364877
Energy: 1.299106717837049
Energy: 0.857571616574885
Energy: 0.8548499477650714
Energy: 0.865439813764577
Energy: 0.8672668428518128
Energy: 0.8690788406017964
Energy: 0.8625048674381355
Energy: 0.8690094016673804
Energy: 0.8699762393299341
Energy: 0.8687178398445161
Energy: 0.8684257172720714
Energy: 0.8707356102565151
Energy: 0.8760073886231531
Energy: 0.8676243820055972
Energy: 0.8618638780809359
Energy: 0.8633655143632404
Energy: 0.863519655364457
Energy: 0.8627652066592528
Energy: 0.8676814346708216
Energy: 0.8702769390430443
Energy: 0.9048846251956484
Energy: 0.8651391350972374
Energy: 0.8632696081224697
Energy: 0.8660540354075823
Energy: 0.8652772253610223
Energy: 0.8646271622619784
Energy: 0.8747258757355993
Energy: 0.8687543673186566
Energy: 0.8681759072895484
Energy: 0.8732319398971181
Energy: 0.869331806245839
Energy: 0.8672099408961493
Energy: 0.8645041924744052
Energy: 0.8619566754004411
Energy: 0.860070421363464
Energy: 0.8650294468575673
Energy: 0.8751546720798526
Energy: 0.8574954042114089
Energy: 0.868691937405553
Energy: 0.8824000245117716
Energy: 0.8644671610017871
Energy: 0.8631629496966113
Energy: 0.8859909409644652
Energy: 0.8626709606947807
Energy: 0.9972046652036374
Energy: 0.8649035437530141
Energy: 0.866942762519636
Energy: 0.8628075483581504
Energy: 0.8642628966872216
Energy: 0.8691275593184449
Energy: 1.0040407650512373
Energy: 0.8643439502546771
Energy: 0.8673962191240551
Energy: 0.8629071735639356
Energy: 0.8618086842717072
Energy: 0.8690322667201629
Energy: 0.8751815986645647
Energy: 0.8637669287050176
Energy: 0.8698188167287093
Energy: 0.863384331917016
Energy: 0.8723106050966942
Energy: 0.8672803031487419
Energy: 0.8690217291877183
Energy: 0.8686910038879315
Energy: 0.8689619515114713
Energy: 0.8623811588192051
Energy: 0.8686233203730891
Energy: 0.8687942858883506
Energy: 0.883129807613316
Energy: 0.8655089250095587
Energy: 0.8606495613934722
Energy: 0.88138754592901
Energy: 0.862461582093958
Energy: 0.8626114425558788
Energy: 0.8760353775167079
Energy: 0.8663864785967237
Energy: 0.8679562658347195
Energy: 0.857439116950158
Energy: 0.8639447907926844
Energy: 0.8585382184145413
Energy: 0.8713959712841655
Energy: 0.8624318647843904
Energy: 0.8678585146606532
Energy: 0.8633445334058827
Energy: 0.8628563344346115
Energy: 0.8685019372353523
Energy: 0.8608100423041791
Energy: 0.8650997146180178
Energy: 0.8679247874774632
Energy: 0.8610989806524754
Energy: 0.8633459251676846
Energy: 0.8683883992607535
Energy: 0.8986682595293352
Energy: 0.8655355704784936
Energy: 0.8626513158253709
Energy: 0.8726980358158279
Energy: 0.8630962166759223
Energy: 0.8633011797730131
Energy: 0.8770936555068631
Energy: 0.8652314827355887
Energy: 0.8694167348720696
Energy: 0.8687308070624549
Energy: 0.8644011367781178
Energy: 0.8709887672700493
Energy: 0.8596455715414437
Energy: 0.8568128434209921
Energy: 0.8578635197707654
Energy: 0.8604551444755022
Energy: 0.8567129848252254
Energy: 0.8576459675910286
Energy: 0.8700753906348603
Energy: 0.8568835160960785
Energy: 0.8579021587786614
Energy: 0.8721999702765448
Energy: 0.8567815666234632
Energy: 0.8576881866014758
Energy: 0.8745081142500387
Energy: 0.8641382912130524
Energy: 0.8696882029685912
Energy: 0.8696090536647737
Energy: 0.8644265760240583
Energy: 0.86230727822749
Energy: 0.8941752574417617
Energy: 0.8630956811362245
Energy: 0.8681576899351096
Energy: 0.8935123979118686
Energy: 0.862608995378267
Energy: 0.8679249987008092
Energy: 0.8689939395312294
Energy: 0.8676676838896704
Energy: 0.8690791586374612
Energy: 0.861846232813239
Energy: 0.8677692383721306
Energy: 0.8682775242940646
Energy: 0.8722649865468428
Energy: 0.8635955430150114
Energy: 0.8670581047951312
Energy: 0.8635161004586246
Energy: 0.8624507209138821
Energy: 0.8650568353613347
Energy: 0.8757018905027458
Energy: 0.8656531615577348
Energy: 0.8679304431312566
Energy: 0.8572987727318865
Energy: 0.862299358612486
Energy: 0.858670362044582

minimum gb energy = 0.8548499477650714 eV
minimum distance =  2.34618230623836 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.929283678501936
Energy: 0.9335798572271292
Energy: 0.8997830391527832
Energy: 0.8856404473772475
Energy: 0.9183626576652099
Energy: 0.8637638375621168
Energy: 0.9053033470391093
Energy: 0.8749922659498947
Energy: 0.8703674527775305
Energy: 0.8735761276408508
Energy: 0.8750730075301808
Energy: 0.873153828219326
Energy: 0.9069329261190168
Energy: 0.8734736659428035
Energy: 0.8750020469076374
Energy: 0.8829074815146934
Energy: 0.8763154051229208
Energy: 0.8716675045694758
Energy: 0.9039927339621059
Energy: 0.8762587375571745
Energy: 0.8743371169282135
Energy: 0.8745288662178169
Energy: 0.873252834149738
Energy: 0.8746990782831865
Energy: 0.8977682202125983
Energy: 0.8756321087720489
Energy: 0.876407357774954
Energy: 0.8804495491166271
Energy: 0.8833465407861317
Energy: 0.8779741555751027
Energy: 0.9159592627265366
Energy: 0.9075145021751129
Energy: 0.8771122239374862
Energy: 0.895343175970417
Energy: 0.8777146857718277
Energy: 0.8743572849614576
Energy: 0.897860607914562
Energy: 0.8801157403613766
Energy: 0.8765468928425175
Energy: 0.8739478137521147
Energy: 0.8830926918323371
Energy: 0.8738600125004424
Energy: 0.9014722696754695
Energy: 0.8781173000659436
Energy: 0.8683525491295067
Energy: 0.8748425527587551
Energy: 0.8722685303242715
Energy: 0.8705544549154975
Energy: 0.8848052532231928
Energy: 0.8704585166633533
Energy: 0.8738812236222009
Energy: 0.873313535338131
Energy: 0.869168761761444
Energy: 0.8823423560937633
Energy: 0.8852463695690777
Energy: 0.8837920395345578
Energy: 0.8834676670120838
Energy: 0.8732298710334729
Energy: 0.8841423668180638
Energy: 0.883779151403895
Energy: 0.9064288840440076
Energy: 0.8654943592995119
Energy: 0.8686141633471314
Energy: 0.8842449275147782
Energy: 0.8646169074332604
Energy: 0.8528139487708303
Energy: 0.9057588248336975
Energy: 0.8686980030166125
Energy: 0.8562895729634639
Energy: 0.8478451434854868
Energy: 0.873490580111488
Energy: 0.8563066198344242
Energy: 0.9149580707788877
Energy: 0.8729011916308593
Energy: 0.8602528819306144
Energy: 0.8942632048326175
Energy: 0.875929577124036
Energy: 0.8738158117885053
Energy: 0.9395966979924922
Energy: 0.8844785261417497
Energy: 0.8831762665310259
Energy: 0.8654941755355119
Energy: 0.8937404393138246
Energy: 0.8737041229982366
Energy: 0.9049986300142707
Energy: 0.8685248204974921
Energy: 0.8689842869481339
Energy: 0.8582868522333239
Energy: 0.869124273025527
Energy: 0.8684901823632342
Energy: 0.9058184252249095
Energy: 0.866297402916907
Energy: 0.8650540194694328
Energy: 0.8586793677775216
Energy: 0.8704393932191589
Energy: 0.8644603801747859
Energy: 0.8967335291190374
Energy: 0.8748808488205299
Energy: 0.8812976527683758
Energy: 0.8694926345135678
Energy: 0.8854743205188027
Energy: 0.8802431787097462
Energy: 0.9218829958721069
Energy: 0.8590119806357651
Energy: 0.8641903898131591
Energy: 0.8753576987303299
Energy: 0.8637930940139688
Energy: 0.8642086935553974
Energy: 0.9159541548481082
Energy: 0.8678343730044156
Energy: 0.8684740998814109
Energy: 0.8848619278746374
Energy: 0.8699774275856298
Energy: 0.8716147147186066
Energy: 0.8909129325400283
Energy: 0.867442528902762
Energy: 0.8686339595126533
Energy: 0.8769005778181007
Energy: 0.8671906006889285
Energy: 0.8815889646045533
Energy: 0.8709831140555583
Energy: 0.8751443091907195
Energy: 0.8644134844720166
Energy: 0.8735614689214273
Energy: 0.8597864633345574
Energy: 0.8650834439832404
Energy: 0.8685053449933909
Energy: 0.8474083575014167
Energy: 0.8560440454693711
Energy: 0.8696733384699843
Energy: 0.8474500279664012
Energy: 0.8561663320765358
Energy: 0.8946830346032911
Energy: 0.8833593354673255
Energy: 0.8790380203870495
Energy: 0.892115793868204
Energy: 0.8638834512085268
Energy: 0.8663487441095591
Energy: 0.9158508935581026
Energy: 0.8634655213254985
Energy: 0.8641826724303788
Energy: 0.8959430644690071
Energy: 0.8634554118703142
Energy: 0.8702124881645378
Energy: 0.9134590542726696
Energy: 0.8514329327822918
Energy: 0.8473170278942304
Energy: 0.8691069984833237
Energy: 0.8552689073907775
Energy: 0.8682312678030226
Energy: 0.9010990024573716
Energy: 0.8687939969918997
Energy: 0.8681292291101325
Energy: 0.8725514934640904
Energy: 0.872052263466328
Energy: 0.8734768336448356
Energy: 0.9080985365602017
Energy: 0.8742503701577953
Energy: 0.8741320965892487
Energy: 0.8884561104224845
Energy: 0.8732360536089229
Energy: 0.8812583185939986
Energy: 0.9068411141459659
Energy: 0.8775628631007594
Energy: 0.8770518886375012
Energy: 0.8657109893870808
Energy: 0.8724739042535155
Energy: 0.874063735528866
Energy: 0.9303253522106036
Energy: 0.9200441841235385
Energy: 0.9203133955507109
Energy: 0.8622068715741187
Energy: 0.919570840617453
Energy: 0.8840481355303214

minimum gb energy = 0.8473170278942304 eV
minimum distance =  2.33105417458633 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3015403063251
Energy: 0.8625348291743535
Energy: 0.8517336160655334
Energy: 0.8162537724442324
Energy: 0.8417262309124502
Energy: 0.8149648968761523
Energy: 0.9308904697933541
Energy: 0.8413954198945833
Energy: 0.8504282532820425
Energy: 0.8391014506415825
Energy: 0.8363548259967973
Energy: 0.849428419129717
Energy: 0.8997457354230332
Energy: 0.8403450662925419
Energy: 0.8461224462751231
Energy: 0.8361306330627146
Energy: 0.8394875043871923
Energy: 0.8370370545129975
Energy: 0.8861112976599987
Energy: 0.8427833594437797
Energy: 0.8515399163346294
Energy: 0.8374347570554352
Energy: 0.8417624953799377
Energy: 0.8527839894978316
Energy: 0.8510938196745662
Energy: 0.8368745921192335
Energy: 0.8382114479360608
Energy: 0.8522694537165585
Energy: 0.8369001188207544
Energy: 0.8528941012001546
Energy: 0.856444504018119
Energy: 0.8492962174975289
Energy: 0.849534270207795
Energy: 0.8397708622497546
Energy: 0.849890196668126
Energy: 0.8496922627164963
Energy: 0.8842870363364264
Energy: 0.8376163299736356
Energy: 0.844554535777883
Energy: 0.8637542939623766
Energy: 0.8334983835701638
Energy: 0.8348636137451345
Energy: 0.8711956608728777
Energy: 0.8420963575708135
Energy: 0.8421643591714603
Energy: 0.8596444235955453
Energy: 0.840696511902838
Energy: 0.8478731531739295
Energy: 0.838254663036716
Energy: 0.8353560591658709
Energy: 0.8453953926657787
Energy: 0.836467152280686
Energy: 0.8336003830455998
Energy: 0.8414604872269535
Energy: 0.852786247936715
Energy: 0.8430491341484547
Energy: 0.8592994295253751
Energy: 0.8360130198109198
Energy: 0.8605946556201463
Energy: 0.8434723370903875
Energy: 0.8905805882980099
Energy: 0.8437808678348767
Energy: 0.8115876024148873
Energy: 0.8376814785185663
Energy: 0.8276229376419247
Energy: 0.8123276354653766
Energy: 0.8989720339667626
Energy: 0.8420329929443181
Energy: 0.8438113079399324
Energy: 0.8451710510186736
Energy: 0.840746796588527
Energy: 0.8439862510546757
Energy: 0.8581089995610243
Energy: 0.8369147043434535
Energy: 0.8372157275722008
Energy: 0.8333324362929251
Energy: 0.8383431006113429
Energy: 0.8370196813632346
Energy: 0.8707485091319762
Energy: 0.8457911449944624
Energy: 0.8511890897469752
Energy: 0.8335048636723588
Energy: 0.8377175253876028
Energy: 0.8483668973672689
Energy: 0.895144358354436
Energy: 0.8396436329075481
Energy: 0.8425044717778921
Energy: 0.8413169194776157
Energy: 0.8371265054428122
Energy: 0.8448192667078326
Energy: 0.8957781027038446
Energy: 0.8460592824129861
Energy: 0.8515018224583554
Energy: 0.8415168384205215
Energy: 0.8403246700181388
Energy: 0.8528312747039174
Energy: 0.8586046714135658
Energy: 0.8987577549124771
Energy: 0.8547626142846309
Energy: 0.8157252752051085
Energy: 0.8982071428764115
Energy: 0.8399578322994541
Energy: 0.9332677075480618
Energy: 0.8365752753595334
Energy: 0.8357095128958194
Energy: 0.8525603695676359
Energy: 0.8369224027434129
Energy: 0.8510753926617587
Energy: 0.8954826495500535
Energy: 0.8426267499209678
Energy: 0.8449186812782142
Energy: 0.8339594665604196
Energy: 0.8390973037258801
Energy: 0.8481199129424507
Energy: 0.8837885207614902
Energy: 0.8424088157445383
Energy: 0.8465615565414734
Energy: 0.8370165943930914
Energy: 0.8379047265662425
Energy: 0.848250742657301
Energy: 0.8536572096813119
Energy: 0.8361861508750053
Energy: 0.8365972197977515
Energy: 0.8541646093858561
Energy: 0.837041904569662
Energy: 0.8480738680120181
Energy: 0.8727383439167825
Energy: 0.8418574642634942
Energy: 0.8423695393847394
Energy: 0.8563093881488103
Energy: 0.8358943518007931
Energy: 0.8423774640608556
Energy: 0.8679719303553186
Energy: 0.8379009435013375
Energy: 0.8440592657366035
Energy: 0.8576714726670469
Energy: 0.8350194472516437
Energy: 0.8547327325013689
Energy: 0.8801967882093185
Energy: 0.8393589363083371
Energy: 0.842953249385208
Energy: 0.857538022208809
Energy: 0.8364377128731001
Energy: 0.8534831751646328
Energy: 0.8497749265071793
Energy: 0.8522207127513669
Energy: 0.8494463515099059
Energy: 0.8400465072050564
Energy: 0.834591968043012
Energy: 0.847438103252705
Energy: 0.8388642433436905
Energy: 0.8546693728165817
Energy: 0.8513446825889895
Energy: 0.8368713494123601
Energy: 0.8435965365835807
Energy: 0.8495851298873164
Energy: 0.856840585084397
Energy: 0.8299646529767872
Energy: 0.8315710709575981
Energy: 0.825682451680075
Energy: 0.81902446260167
Energy: 0.8408443556949011
Energy: 0.8961277735688653
Energy: 0.8270667354703641
Energy: 0.8412370151197819
Energy: 0.8413702251821181
Energy: 0.81941062804074
Energy: 0.8489193743665021
Energy: 0.8571434222521335
Energy: 0.8381348219501216
Energy: 0.8524727928220687
Energy: 0.8330438524572048
Energy: 0.842162837754682
Energy: 0.8454926215227194
Energy: 0.8590606404840679
Energy: 0.8316661886712468
Energy: 0.8457531139713027
Energy: 0.833778363968993
Energy: 0.8265551628572049
Energy: 0.850722189275183
Energy: 0.8964472382798462
Energy: 0.8459469847398386
Energy: 0.8470359116573086
Energy: 0.8401842288366159
Energy: 0.8356092780919946
Energy: 0.8481902725696859
Energy: 0.8952979444623472
Energy: 0.8414587432400513
Energy: 0.8421911731522322
Energy: 0.8340984929920437
Energy: 0.8400930170852484
Energy: 0.850034071982052
Energy: 0.8593882547903295
Energy: 0.837883367086409
Energy: 0.8475615263436168
Energy: 0.8161066129535406
Energy: 0.8382827146570913
Energy: 0.8469357420635972

minimum gb energy = 0.8115876024148873 eV
minimum distance =  2.32755723809328 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015448593184548562
Energy: 0.01619964655253248
Energy: 0.01610763406647719
Energy: 0.017195079559791163
Energy: 0.8392561339034184
Energy: 0.015988869008696987
Energy: 0.01651435993743606
Energy: 0.10532610082400234
Energy: 0.10380400300024563
Energy: 0.10623440690111675
Energy: 0.10562752101072408
Energy: 0.10359398359944914
Energy: 1.1478416516879952
Energy: 0.8385213049142312
Energy: 0.8371313641733134
Energy: 0.8402458071235559
Energy: 0.8396705583885536
Energy: 0.8369087370407949
Energy: 0.41203944695614614
Energy: 0.10532610082355881
Energy: 0.10380400300024563
Energy: 0.10623440690197913
Energy: 0.10562752101072408
Energy: 0.10359398359903028

minimum gb energy = 0.015448593184548562 eV
minimum distance =  2.52169814889799 Angstroms
sigma value = 1