Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pd__MO_993644691224_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890355831384662
cohesive_energy=3.9103031467506324
mass=106.42
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=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43051797554434e-19, 2.88507150837648e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.094777500222939e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.25827817183374e-19, 6.26449461717366e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.9302164842559e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8665955040086594e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18]
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: 0.013021153009036023
Energy: 0.3895788432574087
Energy: 0.013992424492838683
Energy: 0.013381737056470956
Energy: 0.38984203344538376
Energy: 0.013550493161441444
Energy: 0.38957884325581404
Energy: 0.0977844545547943
Energy: 0.09759584447270275
Energy: 0.09764211877102164
Energy: 0.09759983386701504
Energy: 0.09743444353666438
Energy: 0.013992424493620951
Energy: 0.09759584447402661
Energy: 0.09742312678925578
Energy: 0.01397147574326575
Energy: 0.0973926820644337
Energy: 0.09757070673844294
Energy: 0.01338173705701253
Energy: 0.09764211876810316
Energy: 0.01397147574458959
Energy: 0.013397664515726345
Energy: 0.09750226909733349
Energy: 0.01358450505721655
Energy: 0.38984203344487234
Energy: 0.09759983386277273
Energy: 0.09739268206497528
Energy: 0.09750226909760427
Energy: 0.09763045471034655
Energy: 0.09741985414672552
Energy: 0.013550493157469921
Energy: 0.09743444354009435
Energy: 0.09757070673817216
Energy: 0.01358450505589271
Energy: 0.09741985414777855
Energy: 0.013875839812343969

minimum gb energy = 0.013021153009036023 eV
minimum distance =  2.74586088669539 Angstroms
sigma value = 1


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

Energy: 1.2339939564294822
Energy: 0.7799032393177215
Energy: 0.7784856393658816
Energy: 0.7282636633552927
Energy: 0.7702526557856785
Energy: 0.7787742035706783
Energy: 1.1300168483582602
Energy: 0.7119119403490262
Energy: 0.7244927758282163
Energy: 0.7207637843824334
Energy: 0.7119548677989954
Energy: 0.7319227467973
Energy: 1.1114340250209729
Energy: 0.7243509046902766
Energy: 0.7298382713886995
Energy: 0.726211873605884
Energy: 0.7206763007970765
Energy: 0.7296859552427204
Energy: 1.1898912995027833
Energy: 0.7259089087429191
Energy: 0.7240068430759742
Energy: 0.7130622588272356
Energy: 0.7254656048230578
Energy: 0.7106295906744338
Energy: 1.094800586584733
Energy: 0.7444133169406477
Energy: 0.7316753730752578
Energy: 0.7288533579406138
Energy: 0.7255430867392333
Energy: 0.7295470665528824
Energy: 1.085476874218808
Energy: 0.7547445660133105
Energy: 0.7272474288189567
Energy: 0.7267456394403925
Energy: 0.734992189305728
Energy: 0.7264876852459825
Energy: 1.0875539880655447
Energy: 0.7311039040550227
Energy: 0.7303001964833502
Energy: 0.7265363880630722
Energy: 0.7135002317282569
Energy: 0.7295946003821011
Energy: 1.027985530606329
Energy: 0.7214185326871687
Energy: 0.7551001638495751
Energy: 0.6972185456904442
Energy: 0.7271431271056045
Energy: 0.7377218178798075
Energy: 0.8987657140934058
Energy: 0.7267538226364805
Energy: 0.726239796269755
Energy: 0.7435694852904514
Energy: 0.7266751738081647
Energy: 0.7261695465878826
Energy: 0.8945487831168955
Energy: 0.7294964524400885
Energy: 0.7296924057748087
Energy: 0.7227174220801733
Energy: 0.7302469182468629
Energy: 0.7306985164450972
Energy: 0.8956298236444716
Energy: 0.7230240870160104
Energy: 0.7067831973655007
Energy: 0.7573732103386697
Energy: 0.7345587105060074
Energy: 0.7261553706512909
Energy: 0.8131064854649545
Energy: 0.7358426754458238
Energy: 0.7304779956852882
Energy: 0.7114290571682558
Energy: 0.7228792765584139
Energy: 0.7298407553834722
Energy: 0.8083878302590246
Energy: 0.7317788475362248
Energy: 0.7319781049720901
Energy: 0.7314851557392305
Energy: 0.741024412389811
Energy: 0.7319899704649029
Energy: 0.8792628172922213
Energy: 0.7217534300904194
Energy: 0.7117212673997169
Energy: 0.7340579844591419
Energy: 0.7301861556715317
Energy: 0.718958760815988
Energy: 0.8365840218123385
Energy: 0.728588762820431
Energy: 0.7290559385803312
Energy: 0.7305154632220168
Energy: 0.7286836337608716
Energy: 0.7358396315589979
Energy: 0.837762520066164
Energy: 0.7210941637351448
Energy: 0.7205951330874916
Energy: 0.7491471176713037
Energy: 0.729861483097619
Energy: 0.7203490660731615
Energy: 1.0253434787204379
Energy: 0.7274027774330506
Energy: 0.7286272752568674
Energy: 0.7173076186375326
Energy: 0.7250587060099812
Energy: 0.7180958482363321
Energy: 0.9887684593023328
Energy: 0.7286538499121487
Energy: 0.7324470254361762
Energy: 0.7272522392790916
Energy: 0.7276776239738785
Energy: 0.7391800330323727
Energy: 0.9891680375186208
Energy: 0.7276128402130739
Energy: 0.7283943975503894
Energy: 0.7278903581420006
Energy: 0.7376514080708688
Energy: 0.7383213234782703
Energy: 1.0528581540286048
Energy: 0.738064900225474
Energy: 0.7282972383559262
Energy: 0.7278515326427746
Energy: 0.730490935241499
Energy: 0.7372868830359673
Energy: 1.129766822109655
Energy: 0.7116854835822307
Energy: 0.7089952458949912
Energy: 0.7208960199296711
Energy: 0.7112798271423111
Energy: 0.7082108845412308
Energy: 1.1318119607775876
Energy: 0.73477898481976
Energy: 0.7201377636110833
Energy: 0.7201062521879598
Energy: 0.734590490987319
Energy: 0.7205091714696943
Energy: 1.1300935681127098
Energy: 0.7125523563410546
Energy: 0.7351314033264985
Energy: 0.7350231645494879
Energy: 0.7119051263829261
Energy: 0.7307269467251402

minimum gb energy = 0.6972185456904442 eV
minimum distance =  2.57667790904812 Angstroms
sigma value = 33


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

Energy: 1.533977496152311
Energy: 0.7903886968850332
Energy: 0.8052928977989147
Energy: 0.796229586581973
Energy: 0.8022010386260439
Energy: 0.8306814936722872
Energy: 1.0930403417350179
Energy: 0.7603065357781676
Energy: 0.7366558002193474
Energy: 0.7657146576746018
Energy: 0.76985395179618
Energy: 0.7632884334737354
Energy: 1.0863938764824639
Energy: 0.7380873865083076
Energy: 0.7466581714636386
Energy: 0.7706969914209417
Energy: 0.7579811359701386
Energy: 0.7674370450282535
Energy: 1.1652339768757196
Energy: 0.8103689317714935
Energy: 0.7452251571417979
Energy: 0.7547125063838235
Energy: 0.7748324793529414
Energy: 0.77956331304858
Energy: 1.0858846131477426
Energy: 0.7419031648265809
Energy: 0.7598232613989839
Energy: 0.7449302383047276
Energy: 0.7576582500275294
Energy: 0.7658311165140633
Energy: 1.1589574340958118
Energy: 0.7780165305865798
Energy: 0.7782543500655398
Energy: 0.7646876573264225
Energy: 0.84947531087889
Energy: 0.8584977871387728
Energy: 1.1580200241823781
Energy: 0.8289781617594103
Energy: 0.8064801382430663
Energy: 0.8214462589536718
Energy: 0.8273435290639612
Energy: 0.7366283709728091
Energy: 1.084948922630566
Energy: 0.7557309250931024
Energy: 0.7545778250969244
Energy: 0.7599716653973699
Energy: 0.7729430383252377
Energy: 0.754555440520146
Energy: 0.9738634490733429
Energy: 0.7724772296577408
Energy: 0.8245188296266407
Energy: 0.8535110095088314
Energy: 0.7708815683422322
Energy: 0.8234688670923155
Energy: 0.9762073932663712
Energy: 0.8176764000171005
Energy: 0.7143960007556518
Energy: 0.807510063153291
Energy: 0.746163245371388
Energy: 0.8019630365773827
Energy: 0.974995982859165
Energy: 0.7489639941324191
Energy: 0.7852740633828511
Energy: 0.8942120894149033
Energy: 0.7426166493781028
Energy: 0.7856760677070216
Energy: 0.8835637998658801
Energy: 0.7453338758897269
Energy: 0.8112502814409006
Energy: 0.8380190891748107
Energy: 0.7458412173565618
Energy: 0.7155244627175481
Energy: 0.8805546038001928
Energy: 0.8240856609141359
Energy: 0.8252787525812916
Energy: 0.8289914313559698
Energy: 0.8260878682136676
Energy: 0.8167748053776541
Energy: 0.9156169617184479
Energy: 0.7797323574887631
Energy: 0.7791210395061315
Energy: 0.8897072496034627
Energy: 0.7533717795849525
Energy: 0.7745447804334515
Energy: 0.959758568181447
Energy: 0.8214280501650458
Energy: 0.8217265828815306
Energy: 0.8439627496229647
Energy: 0.8194520960042184
Energy: 0.8204774970763784
Energy: 0.9584882843248687
Energy: 0.8291084155348996
Energy: 0.8289298374189312
Energy: 0.8550932012231515
Energy: 0.8299409106041103
Energy: 0.8514247536138061
Energy: 1.146616528027036
Energy: 0.8200573905959906
Energy: 0.8219103217792573
Energy: 0.8197346539494043
Energy: 0.8201808660524075
Energy: 0.8198223129144614
Energy: 1.0389235027606463
Energy: 0.8302346245248057
Energy: 0.8294935238374094
Energy: 0.7724079769062308
Energy: 0.8225969220799655
Energy: 0.7544572524329577
Energy: 1.0408903342727083
Energy: 0.8477382413087945
Energy: 0.8207538113191883
Energy: 0.7715056161331773
Energy: 0.8205820244616142
Energy: 0.7952854782450485
Energy: 1.059543493156752
Energy: 0.7966735940914321
Energy: 0.7885148387802043
Energy: 0.7845948009594693
Energy: 0.7984473841358329
Energy: 0.8110611979354128
Energy: 1.207154058382692
Energy: 0.8296710145349976
Energy: 0.7470924228402694
Energy: 0.6991232204054846
Energy: 0.8296263548321181
Energy: 0.7468780221212726
Energy: 1.1301490322980405
Energy: 0.8207678664090787
Energy: 0.7891457001016722
Energy: 0.7038909087730535
Energy: 0.8213674924138116
Energy: 0.7888138286218778
Energy: 1.0573690867663426
Energy: 0.815880724689538
Energy: 0.8121271733486803
Energy: 0.794973854553899
Energy: 0.8401701775479753
Energy: 0.8146313404221022
Energy: 1.164599952012077
Energy: 0.8865872867004012
Energy: 0.8506950838625011
Energy: 0.7761170106173938
Energy: 0.8279523066986687
Energy: 0.7971261463493186
Energy: 1.0580864304236255
Energy: 0.8165693178739964
Energy: 0.818774083140021
Energy: 0.7982634609259165
Energy: 0.8456154519646628
Energy: 0.8146661442375498
Energy: 1.1594032145802062
Energy: 0.8464901475298587
Energy: 0.8480930443404211
Energy: 0.829136771330516
Energy: 0.8464277334849788
Energy: 0.8276681569555122
Energy: 1.1589545292796426
Energy: 0.8405001652431247
Energy: 0.844282992743937
Energy: 0.8305457299283086
Energy: 0.8416819115340457
Energy: 0.8430136779847144
Energy: 1.0878531959219033
Energy: 0.7731500455684884
Energy: 0.7723370498131081
Energy: 0.813522476425896
Energy: 0.7734919441136692
Energy: 0.8208253475384429
Energy: 0.9494124971079656
Energy: 0.773208824388665
Energy: 0.808807582909999
Energy: 0.8102938977655443
Energy: 0.7716832339420554
Energy: 0.8202263412059432
Energy: 0.9572763104931997
Energy: 0.8171292513774928
Energy: 0.8148186430272464
Energy: 0.8054593648731291
Energy: 0.8140316630180235
Energy: 0.8180204917229928
Energy: 0.9572018133375096
Energy: 0.7783216340034277
Energy: 0.7780953025461894
Energy: 0.8496048289642844
Energy: 0.7786693759426997
Energy: 0.7857595724386216
Energy: 0.9074351303785336
Energy: 0.7444159665886229
Energy: 0.742376613651362
Energy: 0.8208310289329186
Energy: 0.7453744867359983
Energy: 0.8370043035825246
Energy: 0.9081901994653125
Energy: 0.8036107279310595
Energy: 0.8155421931042126
Energy: 0.8439065065231867
Energy: 0.8065940019266219
Energy: 0.8110758951634991
Energy: 0.9106273028371007
Energy: 0.7734387695679514
Energy: 0.7731055867546439
Energy: 0.8341503718157806
Energy: 0.7469353796388838
Energy: 0.7762689586091381
Energy: 0.959519841909329
Energy: 0.8048830923750528
Energy: 0.8042771271575111
Energy: 0.7808429426217933
Energy: 0.8056623194554111
Energy: 0.8156395466556113
Energy: 0.9584231079747919
Energy: 0.7651744090674816
Energy: 0.8327939292995946
Energy: 0.8547869631483183
Energy: 0.746956257240768
Energy: 0.8305608641951575
Energy: 0.9590112110153819
Energy: 0.7694660774285351
Energy: 0.776391342358683
Energy: 0.7792382263159445
Energy: 0.7545440165129561
Energy: 0.7739585689575809
Energy: 1.042108517097432
Energy: 0.8074187388390647
Energy: 0.7449259274009745
Energy: 0.771214687672157
Energy: 0.7493408835894978
Energy: 0.7461631592752592
Energy: 1.0380895350513046
Energy: 0.7384146553441221
Energy: 0.7491314488680848
Energy: 0.7719153976803073
Energy: 0.7485345268055186
Energy: 0.7548946454479913
Energy: 1.086366798761445
Energy: 0.759722909058548
Energy: 0.7576717893245456
Energy: 0.7529595675045169
Energy: 0.7443679165064924
Energy: 0.7593683831969336
Energy: 1.19788627831253
Energy: 0.7837258041484145
Energy: 0.7589685493284118
Energy: 0.7258003347860892
Energy: 0.7606681618291753
Energy: 0.7635297109877088

minimum gb energy = 0.6991232204054846 eV
minimum distance =  2.49967300934369 Angstroms
sigma value = 51


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

Energy: 1.284550486659734
Energy: 0.7795053898705925
Energy: 0.73981238861628
Energy: 0.8151416065201704
Energy: 0.779407747921187
Energy: 0.8153134821393101
Energy: 1.031526772741697
Energy: 0.7612442700221945
Energy: 0.7390025001467684
Energy: 0.7258372587284779
Energy: 0.7607133707115455
Energy: 0.7398331741619507
Energy: 1.1147167923194523
Energy: 0.7617206008764847
Energy: 0.7517646914674723
Energy: 0.7688841364248085
Energy: 0.7806097964838271
Energy: 0.7723347196789202
Energy: 1.1150147550019105
Energy: 0.7703060136156828
Energy: 0.770939148885537
Energy: 0.7704318641287824
Energy: 0.7510523292413144
Energy: 0.750298116811806
Energy: 0.9652994546571108
Energy: 0.7693193145497058
Energy: 0.7850202508842683
Energy: 0.7255887221619427
Energy: 0.7851680202837603
Energy: 0.7858220927065913
Energy: 0.9641149187690362
Energy: 0.7848435103442748
Energy: 0.7851324235133952
Energy: 0.7854237918806198
Energy: 0.7855587150835969
Energy: 0.7844504040957596
Energy: 0.9645379662970296
Energy: 0.7257945375463277
Energy: 0.7257271399967938
Energy: 0.7852657355669582
Energy: 0.725288470256474
Energy: 0.7906719631080734
Energy: 0.9566392078419396
Energy: 0.7557245833076294
Energy: 0.7615423465292142
Energy: 0.7716765321576132
Energy: 0.7559639982617599
Energy: 0.761350699040784
Energy: 0.8224572806733891
Energy: 0.7568484596332312
Energy: 0.7562926602100525
Energy: 0.7815790726305426
Energy: 0.757040318862147
Energy: 0.7774442741213504
Energy: 0.8231129371452435
Energy: 0.7263892588831393
Energy: 0.7640513704697733
Energy: 0.7810929859812593
Energy: 0.7271984710238826
Energy: 0.739826443891435
Energy: 0.8242665209239034
Energy: 0.7140026823797372
Energy: 0.7661861389742416
Energy: 0.7808694092534137
Energy: 0.7125610200011957
Energy: 0.7696290825530039
Energy: 0.8570622081964765
Energy: 0.7271374142264548
Energy: 0.7619900336320633
Energy: 0.7778382546211441
Energy: 0.7814539269536004
Energy: 0.7707188048855796
Energy: 0.855851874011686
Energy: 0.7695598699908697
Energy: 0.7687698367395701
Energy: 0.7881450966208885
Energy: 0.7685303118873456
Energy: 0.7780756495039264
Energy: 0.856774622648847
Energy: 0.7511186946109241
Energy: 0.7407489302537085
Energy: 0.7516203018645378
Energy: 0.7522397934378101
Energy: 0.7403771024425182
Energy: 1.0312325955157156
Energy: 0.7499515777078735
Energy: 0.7734765768102068
Energy: 0.7777998154449142
Energy: 0.7475688371526309
Energy: 0.768728372401291
Energy: 1.0301543750938615
Energy: 0.7625400911388893
Energy: 0.7537546230858546
Energy: 0.7279836201078486
Energy: 0.7614993003212088
Energy: 0.7266279584221922
Energy: 1.0358626099311008
Energy: 0.7890195156376465
Energy: 0.7400674341639693
Energy: 0.7708811385358754
Energy: 0.7621148276933304
Energy: 0.7397858668549143
Energy: 1.1984871858463937
Energy: 0.7543556016841125
Energy: 0.7409184248233955
Energy: 0.753553144130267
Energy: 0.7616860799943143
Energy: 0.7732532799970474

minimum gb energy = 0.7125610200011957 eV
minimum distance =  2.52391640424616 Angstroms
sigma value = 19


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

Energy: 1.0701291623604035
Energy: 0.7457777340134293
Energy: 0.7418224961556336
Energy: 0.8410851890456285
Energy: 0.7572815032881635
Energy: 0.7439165851388171
Energy: 1.0059113992249946
Energy: 0.7538408021420556
Energy: 0.7539681508239698
Energy: 0.7667418600964361
Energy: 0.7537844441697341
Energy: 0.744538168902945
Energy: 1.1140617500889993
Energy: 0.7540655412200188
Energy: 0.7529797340877398
Energy: 0.7681165382169682
Energy: 0.7541967504853366
Energy: 0.7536009508691753
Energy: 0.9030618993377477
Energy: 0.7548815822564147
Energy: 0.7523035958212994
Energy: 0.7368534915608802
Energy: 0.7533805592642263
Energy: 0.7528845914046254
Energy: 0.9077172340137974
Energy: 0.7539462536388726
Energy: 0.7703194621376412
Energy: 0.7689976252459378
Energy: 0.7532816974659384
Energy: 0.7796548403319218
Energy: 0.9066785676836445
Energy: 0.70795404893008
Energy: 0.7732243985202274
Energy: 0.7684638486779618
Energy: 0.7005286617297035
Energy: 0.7630997275882826
Energy: 0.9073240149879643
Energy: 0.7711316203582954
Energy: 0.7657499603556489
Energy: 0.7675429356027529
Energy: 0.740292212472663
Energy: 0.7660366905616639
Energy: 0.8557846732448174
Energy: 0.6994630078919993
Energy: 0.7001610221333948
Energy: 0.753566703127491
Energy: 0.7004015441970923
Energy: 0.7013494498582222
Energy: 0.7550737966433285
Energy: 0.6996245469723009
Energy: 0.6994914345959162
Energy: 0.7541646818093996
Energy: 0.6998790154507403
Energy: 0.7000913361362656
Energy: 0.7547408253271659
Energy: 0.7439656608929092
Energy: 0.7426322742536279
Energy: 0.7546442933503561
Energy: 0.7698246392142754
Energy: 0.7537719614975459
Energy: 0.7531742428942916
Energy: 0.7372118580035136
Energy: 0.7377097592598757
Energy: 0.7536831804104205
Energy: 0.7372685348529808
Energy: 0.746993254557375
Energy: 0.9070784002467591
Energy: 0.7715015421978924
Energy: 0.7659567069227503
Energy: 0.7534153275870458
Energy: 0.7695542634943449
Energy: 0.7527731762904439
Energy: 0.7316402331439069
Energy: 0.7665757257996784
Energy: 0.7525576203656905
Energy: 0.7004684188646367
Energy: 0.7660174822793882
Energy: 0.7690650398431783
Energy: 0.9074644908794841
Energy: 0.7701800977750198
Energy: 0.7695338232412059
Energy: 0.7551857238375832
Energy: 0.7697054335506387
Energy: 0.7678375102840159
Energy: 1.067880772876886
Energy: 0.7423262810159553
Energy: 0.7422896117313814
Energy: 0.6994094115065436
Energy: 0.7526232673340604
Energy: 0.699616134300624
Energy: 1.0674163807192814
Energy: 0.7687664883858151
Energy: 0.7003508006258393
Energy: 0.7014914305832199
Energy: 0.755088679555573
Energy: 0.7021307168495708
Energy: 0.9073274010027256
Energy: 0.7540095091590597
Energy: 0.7548395277322191
Energy: 0.7674862623623557
Energy: 0.7536667690475057
Energy: 0.7534182708850188
Energy: 0.9032320082648368
Energy: 0.7531096163685346
Energy: 0.7523671479389523
Energy: 0.7371764332557702
Energy: 0.7537110450449941
Energy: 0.7453783753196741
Energy: 0.9019756861775415
Energy: 0.753136820537737
Energy: 0.7528644911373975
Energy: 0.7364644006932951
Energy: 0.754433689516534
Energy: 0.7520273367813886
Energy: 0.9074332866867577
Energy: 0.701150822582723
Energy: 0.7697620917391081
Energy: 0.7668060309625818
Energy: 0.7018096088062279
Energy: 0.7702418318711337
Energy: 0.9052416039288652
Energy: 0.7588210398057248
Energy: 0.7682510046293871
Energy: 0.7699750911216171
Energy: 0.7547879120140174
Energy: 0.7688224275951657
Energy: 0.9072940734449797
Energy: 0.7795252038831219
Energy: 0.7785038071782057
Energy: 0.7663873978640265
Energy: 0.740912087827806
Energy: 0.7749468276146841
Energy: 0.8567727528371538
Energy: 0.7001467296412781
Energy: 0.7005328954068576
Energy: 0.8568610273326449
Energy: 0.7003813318407297
Energy: 0.7425823420360745
Energy: 0.7550812742171105
Energy: 0.7440141544246389
Energy: 0.7427899047353773
Energy: 0.7538804351361003
Energy: 0.7320327795026114
Energy: 0.7547833236300907
Energy: 0.754910323572899
Energy: 0.731918825404757
Energy: 0.7463709649614877
Energy: 0.7544234255494592
Energy: 0.7686986870144792
Energy: 0.7527291098241782
Energy: 0.8583800047512794
Energy: 0.7371223161995223
Energy: 0.7366802955394711
Energy: 0.7433038759344861
Energy: 0.7370899084127044
Energy: 0.7518924984685534
Energy: 0.907453911039757
Energy: 0.7670873668651197
Energy: 0.7679167665950338
Energy: 0.753927678789287
Energy: 0.7693093479125757
Energy: 0.7775819647920189
Energy: 0.7319271644778695
Energy: 0.7674243335414616
Energy: 0.764273422625811
Energy: 0.7147921387804683
Energy: 0.7681089862977195
Energy: 0.7638429921345091
Energy: 0.8558413593282591
Energy: 0.7675599527321022
Energy: 0.7663019009959183
Energy: 0.740931522579758
Energy: 0.7677731385410366
Energy: 0.764708307796905
Energy: 1.0657955154419096
Energy: 0.7448495024897906
Energy: 0.7009104787082183
Energy: 0.7012690225592575
Energy: 0.744321518213065
Energy: 0.7023148486627877

minimum gb energy = 0.6994094115065436 eV
minimum distance =  2.60799555959492 Angstroms
sigma value = 27


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

Energy: 0.9049527381546445
Energy: 0.7111493389788466
Energy: 0.8868187978254426
Energy: 0.7182717453998977
Energy: 0.7109553780944785
Energy: 0.8864327159879937
Energy: 0.8881055776666876
Energy: 0.7454373438902517
Energy: 0.6756030605971008
Energy: 0.6805166467176529
Energy: 0.7459682541921459
Energy: 0.6443896515759076
Energy: 0.811144047998902
Energy: 0.744709168352588
Energy: 0.6753064763549343
Energy: 0.6441201204289276
Energy: 0.7446452985549905
Energy: 0.6758910136389403
Energy: 0.8895917124803139
Energy: 0.644492799083298
Energy: 0.6439661524163515
Energy: 0.6847505096565452
Energy: 0.7093559410429356
Energy: 0.6439285667104053
Energy: 0.8899589757953559
Energy: 0.6427907002859523
Energy: 0.6448845624463201
Energy: 0.7089400341986444
Energy: 0.6721892841473488
Energy: 0.6450866729635644
Energy: 0.758613331220792
Energy: 0.6722653711439965
Energy: 0.6729925248422307
Energy: 0.7429072187729338
Energy: 0.6718142329897007
Energy: 0.672410280189256
Energy: 0.760898902972679
Energy: 0.6779733338758464
Energy: 0.675930203545737
Energy: 0.7471341114632728
Energy: 0.6786843746222977
Energy: 0.675767194971313
Energy: 0.7619933171626889
Energy: 0.6778914646940847
Energy: 0.671365280040195
Energy: 0.7430685356279425
Energy: 0.6785642767822082
Energy: 0.6718558473722671
Energy: 0.8113564830278197
Energy: 0.6800641753403442
Energy: 0.6752554373496114
Energy: 0.742338576237486
Energy: 0.6720208013416507
Energy: 0.6442958466032022
Energy: 0.8123945970009515
Energy: 0.67500942226008
Energy: 0.6739645929552315
Energy: 0.7094615447171821
Energy: 0.6759512331540115
Energy: 0.6751435588858556
Energy: 0.81274317929246
Energy: 0.7273816866711016
Energy: 0.7108305526805846
Energy: 0.6756588970993314
Energy: 0.7295302582699831
Energy: 0.706904137361494
Energy: 0.8109746974243894
Energy: 0.6762189851253612
Energy: 0.6749429567208314
Energy: 0.6805382913613359
Energy: 0.6763019120015367
Energy: 0.6446080747878298

minimum gb energy = 0.6427907002859523 eV
minimum distance =  2.61499345677144 Angstroms
sigma value = 9


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

Energy: 1.5550289462060454
Energy: 0.6195760938852155
Energy: 0.633937703836325
Energy: 0.6417890145419628
Energy: 0.6299852909076435
Energy: 0.7714959136441317
Energy: 0.6608511875299755
Energy: 0.6095883295215714
Energy: 0.6325971488603842
Energy: 0.6166760081699207
Energy: 0.6450789009002375
Energy: 0.6160084099449987
Energy: 0.6871372474167449
Energy: 0.6318965369727846
Energy: 0.6343430589329447
Energy: 0.6394338916461528
Energy: 0.6448988651209298
Energy: 0.6365307455158656
Energy: 0.6875293541574657
Energy: 0.5955071510263329
Energy: 0.5953628032528995
Energy: 0.6358471715465726
Energy: 0.5969000047686477
Energy: 0.5973026037984268
Energy: 0.7256468849996248
Energy: 0.5976327877534988
Energy: 0.5844593619844565
Energy: 0.6514302882973241
Energy: 0.6213226942643538
Energy: 0.6254565877042499
Energy: 0.6620762097519683
Energy: 0.5960003107362627
Energy: 0.6185113593107578
Energy: 0.6622512317135975
Energy: 0.6247406491294868
Energy: 0.631346528537417
Energy: 0.6620126750764974
Energy: 0.5960433956495118
Energy: 0.5957839359404131
Energy: 0.6633283993508693
Energy: 0.5988449485862952
Energy: 0.5959941623524567
Energy: 0.6622466883836029
Energy: 0.6205335554770345
Energy: 0.6156909425311682
Energy: 0.6625264379884107
Energy: 0.6276125737761804
Energy: 0.6333088272362979
Energy: 0.7927061970258197
Energy: 0.6169885439616549
Energy: 0.6236262540364367
Energy: 0.6276833404336278
Energy: 0.6422377079044178
Energy: 0.5894035299855245
Energy: 0.631599379429991
Energy: 0.5960688577469018
Energy: 0.5961656262734157
Energy: 0.6300167234740612
Energy: 0.5989010002785733
Energy: 0.5946893540617848
Energy: 0.6317142580920438
Energy: 0.6546457131571202
Energy: 0.5967469320866927
Energy: 0.6328531323054751
Energy: 0.6627780379987127
Energy: 0.5982645061610166
Energy: 0.7405611808857023
Energy: 0.6410982011425305
Energy: 0.6142431346390969
Energy: 0.6108099372437172
Energy: 0.6630517363991676
Energy: 0.590245279018282
Energy: 0.824751121836343
Energy: 0.6269936410657978
Energy: 0.6343879750067434
Energy: 0.6242251493858147
Energy: 0.6410162652138668
Energy: 0.6514985666106101
Energy: 0.7392701680485038
Energy: 0.625311446792781
Energy: 0.6261559484077579
Energy: 0.6109545767500495
Energy: 0.6305109486932159
Energy: 0.6271830162321703
Energy: 0.6555731301641683
Energy: 0.6242306968389529
Energy: 0.6240601447345749
Energy: 0.645822270456327
Energy: 0.6276394279316185
Energy: 0.6721923898838119
Energy: 0.6542343180045443
Energy: 0.6132996680366634
Energy: 0.6153552099641064
Energy: 0.645248596716445
Energy: 0.6378704699119787
Energy: 0.622935238399762
Energy: 0.6552197120610631
Energy: 0.589374661678721
Energy: 0.5891636259001267
Energy: 0.644818133048794
Energy: 0.6098387339366713
Energy: 0.618254772199811
Energy: 0.7136564738048274
Energy: 0.6208404835794102
Energy: 0.5966527437258613
Energy: 0.6339328439913672
Energy: 0.6206009797669945
Energy: 0.5943462579831859
Energy: 0.6875154346370365
Energy: 0.6146637216446594
Energy: 0.6149964359822604
Energy: 0.6202890382459978
Energy: 0.6131195426524743
Energy: 0.6158726784048589
Energy: 0.6874112765095978
Energy: 0.6207589821889999
Energy: 0.6137928722529207
Energy: 0.62038584948842
Energy: 0.6320619300936093
Energy: 0.6146100855083536
Energy: 0.6869744951329062
Energy: 0.620826390116703
Energy: 0.6181401112899496
Energy: 0.6129344129400305
Energy: 0.6247162334212085
Energy: 0.6215171836710105
Energy: 0.7185502259202019
Energy: 0.6107572966854226
Energy: 0.6109111850095302
Energy: 0.610394451939382
Energy: 0.6345863895825025
Energy: 0.6096311588892822
Energy: 0.7145149566214077
Energy: 0.6100582739981063
Energy: 0.6253380495653206
Energy: 0.6212146273220995
Energy: 0.6357254174813087
Energy: 0.5933128450314711
Energy: 0.6871109088451217
Energy: 0.6062317238171089
Energy: 0.6217593666963253
Energy: 0.6384516845902654
Energy: 0.6548591006766048
Energy: 0.6244071631935912
Energy: 0.9419219985325437
Energy: 0.6501085554419245
Energy: 0.6245953901279045
Energy: 0.6157158964201528
Energy: 0.6459969291013106
Energy: 0.6268687830679791
Energy: 0.686652243720835
Energy: 0.5967205971452285
Energy: 0.5916223029978144
Energy: 0.6538627638099997
Energy: 0.6109419081931893
Energy: 0.6254313792184176
Energy: 0.6357862488840539
Energy: 0.5956597755205535
Energy: 0.5957816297117678
Energy: 0.636164820056452
Energy: 0.5965432523959258
Energy: 0.6320672585216331
Energy: 0.6630193704026546
Energy: 0.5962541304809827
Energy: 0.5904832486933268
Energy: 0.6628113397265737
Energy: 0.6110282457499667
Energy: 0.590309168572578
Energy: 0.6627084963950022
Energy: 0.5907243338164675
Energy: 0.5916591135143019
Energy: 0.6628913067787612
Energy: 0.6278381445897925
Energy: 0.6223204837784713
Energy: 0.6569681428058237
Energy: 0.6374141078698807
Energy: 0.6313290527964183
Energy: 0.6527597886424823
Energy: 0.6279565909142145
Energy: 0.5961644619008336
Energy: 0.6317786344701383
Energy: 0.5971053062058684
Energy: 0.5972627744751089
Energy: 0.6319888612944384
Energy: 0.6280790432634794
Energy: 0.6469264923718827
Energy: 0.631750339548152
Energy: 0.6294092485533662
Energy: 0.6186609211577242
Energy: 0.6297957487325602
Energy: 0.66180639670536
Energy: 0.5947932458268855
Energy: 0.8162107911398895
Energy: 0.6440565548598689
Energy: 0.6570593350801606
Energy: 0.6164194023797784
Energy: 0.6644336077784272
Energy: 0.5960077996539597
Energy: 0.6784695303815873
Energy: 0.6411092199860624
Energy: 0.6096159298596633
Energy: 0.6284216874263094
Energy: 0.6620657984204154
Energy: 0.5948730617234118
Energy: 0.673677962505633
Energy: 0.6026327726978
Energy: 0.6261269039182212
Energy: 0.6308944040387112
Energy: 0.6296013394341561
Energy: 0.6264276183066163
Energy: 0.6765599981475374
Energy: 0.6253770924402147
Energy: 0.5981598457240337
Energy: 0.6475729146907967
Energy: 0.6273523546687871
Energy: 0.5981295585562287
Energy: 0.6550987924054903
Energy: 0.6212612121136426
Energy: 0.624191081912165
Energy: 0.6456724051016306
Energy: 0.634973331642713
Energy: 0.622984937041417
Energy: 0.6551554647198933
Energy: 0.6177067630600046
Energy: 0.6177322303285021
Energy: 0.6445163664267198
Energy: 0.6171383190633241
Energy: 0.6131477559586711
Energy: 0.678280024255755
Energy: 0.5957037596944614
Energy: 0.5945366928860445
Energy: 0.6103823599394279
Energy: 0.599616336976752
Energy: 0.6294664683660594
Energy: 0.6874060491244613
Energy: 0.6186131173613704
Energy: 0.6199763222980104
Energy: 0.6447576097045731
Energy: 0.6173817779155061
Energy: 0.6135235124909668
Energy: 0.6844228189562401
Energy: 0.6245725926112565
Energy: 0.6122045525977513
Energy: 0.6196018636702232
Energy: 0.6226615268769188
Energy: 0.6137118627298596
Energy: 0.6873725113516143
Energy: 0.6339368534763464
Energy: 0.6113519626297045
Energy: 0.6107214798158026
Energy: 0.633425377269285
Energy: 0.611091045082028
Energy: 0.7147905033619453
Energy: 0.5956137198646221
Energy: 0.6254963898521136
Energy: 0.6213896270865644
Energy: 0.6374118571780945
Energy: 0.592699310283819

minimum gb energy = 0.5844593619844565 eV
minimum distance =  2.565346987679 Angstroms
sigma value = 57


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

Energy: 0.8166750881138946
Energy: 0.3841979198941196
Energy: 0.5452333240334714
Energy: 0.7490858200519898
Energy: 0.38361694313078676
Energy: 0.5469116692969898
Energy: 0.5813559725348846
Energy: 0.3035532091920762
Energy: 0.614936051848377
Energy: 0.6019545493169965
Energy: 0.30432749909130546
Energy: 0.6095481397623304
Energy: 0.7187420134540836
Energy: 0.6146552962300199
Energy: 0.6137746481483473
Energy: 0.6004704557650772
Energy: 0.6182259413091784
Energy: 0.6351005584253981
Energy: 0.7192493065558067
Energy: 0.30353724955486777
Energy: 0.3063903229321995
Energy: 0.30217673292493435
Energy: 0.3104602959915371
Energy: 0.3013400229835627
Energy: 0.3944351205868739
Energy: 0.5276512171627226
Energy: 0.5042693156844371
Energy: 0.740921336341874
Energy: 0.5274618997458154
Energy: 0.3034427315140488
Energy: 0.3968347033391216
Energy: 0.5383618853255489
Energy: 0.5267410351659915
Energy: 0.30235215975056273
Energy: 0.5391751629262531
Energy: 0.5038602678774634
Energy: 0.39921739006327556
Energy: 0.3028548572240149
Energy: 0.30493388696578927
Energy: 0.30289598354553093
Energy: 0.30188339648754087
Energy: 0.32285139107703986
Energy: 0.4107890378046981
Energy: 0.3014470205874236
Energy: 0.30167449591237766
Energy: 0.31085845431040865
Energy: 0.3131717134322458
Energy: 0.32276709641939555
Energy: 0.3025616159486774
Energy: 0.30213856388306437
Energy: 0.3030583552978129
Energy: 0.3034890747214785
Energy: 0.30454474724595937
Energy: 0.302469282778751
Energy: 0.30707762216650003
Energy: 0.3040330995196017
Energy: 0.30295031173155823
Energy: 0.3013219479283036
Energy: 0.31455355694960935
Energy: 0.32283631503190896
Energy: 0.3009671622697031
Energy: 0.302645056725909
Energy: 0.303601173312846
Energy: 0.3016071298217272
Energy: 0.3048271283123953
Energy: 0.30333908645416297
Energy: 0.30200460130570655
Energy: 0.3255073497394262
Energy: 0.3012250847983262
Energy: 0.3020508035152026
Energy: 0.30547410968693856
Energy: 0.3014202103047609
Energy: 0.4172794414800718
Energy: 0.3220449991390544
Energy: 0.311061925677582
Energy: 0.3030992879390675
Energy: 0.31117052823817803
Energy: 0.32489300542508065
Energy: 0.4030350549744807
Energy: 0.3158745545024518
Energy: 0.3021387837568939
Energy: 0.30361447106710504
Energy: 0.31101510163032914
Energy: 0.3018913258305153
Energy: 0.4019885423087105
Energy: 0.5381094864048801
Energy: 0.539553252891889
Energy: 0.3754642309805863
Energy: 0.541405046922278
Energy: 0.5293736641792396
Energy: 0.3655072543757379
Energy: 0.303394387484685
Energy: 0.30352030330928736
Energy: 0.30307052308535815
Energy: 0.528380165237753
Energy: 0.3028862553413086
Energy: 0.7045734268062107
Energy: 0.6218085799991339
Energy: 0.6250153892353624
Energy: 0.604408578792514
Energy: 0.6400100481507591
Energy: 0.617063451686189
Energy: 0.36640769986557814
Energy: 0.6133869709246054
Energy: 0.606071431136476
Energy: 0.31126987061282485
Energy: 0.6130513130478463
Energy: 0.6014813121204627
Energy: 0.6311741675502828
Energy: 0.34944359493772065
Energy: 0.606306911403909
Energy: 0.5457863822780683
Energy: 0.30382084937763537
Energy: 0.6054191949486286

minimum gb energy = 0.3009671622697031 eV
minimum distance =  2.58144472489975 Angstroms
sigma value = 11


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

Energy: 1.2895376992852103
Energy: 0.5069923749201214
Energy: 0.6076920509024182
Energy: 0.5338547788100948
Energy: 0.5086582923730213
Energy: 0.5877605402684296
Energy: 0.517117082279438
Energy: 0.50882177436874
Energy: 0.511091349139553
Energy: 0.5041184628813443
Energy: 0.5058369815077
Energy: 0.5027956118335613
Energy: 0.5081827162453023
Energy: 0.5153381876824279
Energy: 0.5079045136360023
Energy: 0.5079580047424361
Energy: 0.5145327462354385
Energy: 0.5044981265154961
Energy: 0.5077476307753349
Energy: 0.5232719745208282
Energy: 0.5029400834805576
Energy: 0.5076779858080177
Energy: 0.5083620914192747
Energy: 0.5111107984667511
Energy: 0.5012688655424998
Energy: 0.5869109796781112
Energy: 0.588700203529597
Energy: 0.5154746165554347
Energy: 0.542221665134993
Energy: 0.50950084872544
Energy: 0.5451663935114135
Energy: 0.5579020587895813
Energy: 0.5610234782954492
Energy: 0.5056353296445121
Energy: 0.508149669484019
Energy: 0.5862363796086133
Energy: 0.5490540696266545
Energy: 0.5085884843452598
Energy: 0.512109279238693
Energy: 0.5044374290527113
Energy: 0.5152959044711288
Energy: 0.504941025243721
Energy: 0.5199148099146469
Energy: 0.5233595705243169
Energy: 0.5229127766108718
Energy: 0.5193607957490852
Energy: 0.5223890851345045
Energy: 0.5090216677463988
Energy: 0.5492865074406018
Energy: 0.5096511296341428
Energy: 0.50218734302472
Energy: 0.5156029102238432
Energy: 0.5061077314963842
Energy: 0.503977303818773
Energy: 0.5792228702798801
Energy: 0.5426958140881594
Energy: 0.5550273113357888
Energy: 0.514988338199138
Energy: 0.5426588431768601
Energy: 0.5575176013146782
Energy: 0.5759751180404605
Energy: 0.541374300727119
Energy: 0.54385012515689
Energy: 0.5570119106383328
Energy: 0.541087968380811
Energy: 0.5851569098494557
Energy: 0.6471042250915428
Energy: 0.4878257048252406
Energy: 0.5030294498504967
Energy: 0.6006896335874155
Energy: 0.49126548193635333
Energy: 0.503945967485169
Energy: 0.6185571856103339
Energy: 0.4871971983899103
Energy: 0.4861954873771606
Energy: 0.5294721908355631
Energy: 0.4930314933957001
Energy: 0.5036989698618936
Energy: 0.6185608492831886
Energy: 0.586961158217238
Energy: 0.5840817058427943
Energy: 0.5841938271118973
Energy: 0.5888232834801791
Energy: 0.5862652807156686
Energy: 0.6206175281958873
Energy: 0.5297968919293625
Energy: 0.5318961772434638
Energy: 0.5632027775517944
Energy: 0.5288097626650404
Energy: 0.683543508959351
Energy: 0.7805835344393753
Energy: 0.5892051182780924
Energy: 0.5866125160040198
Energy: 0.5850092660764571
Energy: 0.5926136870561425
Energy: 0.5850546613419245
Energy: 0.8703499285553987
Energy: 0.5545794944127668
Energy: 0.5048951127477764
Energy: 0.5162266303337343
Energy: 0.5549993849089123
Energy: 0.4871432894282334
Energy: 0.5900230655657754
Energy: 0.5435032193188154
Energy: 0.5883664052381333
Energy: 0.4868692685497746
Energy: 0.5420221080958317
Energy: 0.5877268445000247
Energy: 0.5790793849363639
Energy: 0.508825015621866
Energy: 0.5612370785588401
Energy: 0.5146399241557129
Energy: 0.5069409212030015
Energy: 0.5593255994065635
Energy: 0.6946876638118294
Energy: 0.5177519751822448
Energy: 0.5175493083734704
Energy: 0.5123269527698666
Energy: 0.6145654182926651
Energy: 0.5069653398671079
Energy: 0.7800197858032766
Energy: 0.5547132088415223
Energy: 0.5460038434095851
Energy: 0.5514642887056574
Energy: 0.5876001065845208
Energy: 0.5441359184288863
Energy: 0.715897047667283
Energy: 0.5254599022996941
Energy: 0.492037768390997
Energy: 0.7490420295302569
Energy: 0.5277427028719635
Energy: 0.5951803886028998
Energy: 0.5050074973269554
Energy: 0.5550909914885059
Energy: 0.5470952268111057
Energy: 0.5426951534972353
Energy: 0.5531017231446954
Energy: 0.5451757422195693
Energy: 0.5053264542220408
Energy: 0.5095629418050908
Energy: 0.5045982623826163
Energy: 0.5047973386332384
Energy: 0.5090486110293861
Energy: 0.5059528752448683
Energy: 0.5281688730858106
Energy: 0.5083202626550187
Energy: 0.5135871021199915
Energy: 0.5101784977630778
Energy: 0.5064689350097461
Energy: 0.5039045633752253
Energy: 0.5805451873516303
Energy: 0.506518988542059
Energy: 0.5090270473304715
Energy: 0.5407525222228879
Energy: 0.5037095750910708
Energy: 0.551275043343122

minimum gb energy = 0.4861954873771606 eV
minimum distance =  2.56600948845966 Angstroms
sigma value = 41


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

Energy: 1.20770236615978
Energy: 0.5659345885588648
Energy: 0.5922137582877594
Energy: 0.5511921040944848
Energy: 0.5608621600141681
Energy: 0.5500325141668473
Energy: 0.5607180800027892
Energy: 0.5454574199627829
Energy: 0.5441288610575791
Energy: 0.5477733442335684
Energy: 0.562728890458975
Energy: 0.5441905741454213
Energy: 0.5486053658855032
Energy: 0.5449404736492952
Energy: 0.5451454463225028
Energy: 0.5492003752544156
Energy: 0.5469852600293187
Energy: 0.5444103979751586
Energy: 0.5480784141069069
Energy: 0.544995758911551
Energy: 0.5448882055315697
Energy: 0.5484061467944241
Energy: 0.5491073914808751
Energy: 0.548948836878706
Energy: 0.5463236174854499
Energy: 0.5450156192547917
Energy: 0.5513680586156535
Energy: 0.5619203118567495
Energy: 0.5445251138291987
Energy: 0.5505031886505963
Energy: 0.6165044385545883
Energy: 0.5497767644312441
Energy: 0.5475934029924324
Energy: 0.5619349140469057
Energy: 0.5513426768893379
Energy: 0.5450230035506549
Energy: 0.6162706585428802
Energy: 0.5487188704568128
Energy: 0.549876631172813
Energy: 0.5479231375325547
Energy: 0.5510658316324692
Energy: 0.5467478469271417
Energy: 0.5703621896024474
Energy: 0.585788509096845
Energy: 0.5801800794397056
Energy: 0.5215117856180003
Energy: 0.5858907477057074
Energy: 0.5409767779027068
Energy: 0.6168689495021722
Energy: 0.5463134517303727
Energy: 0.5445913139949795
Energy: 0.5641179421772189
Energy: 0.5497500965980754
Energy: 0.5445023103284268
Energy: 0.8462355323732857
Energy: 0.54552115678388
Energy: 0.546749850824601
Energy: 0.5485850771241729
Energy: 0.5508524504645431
Energy: 0.5497412778326534
Energy: 0.6166220595134237
Energy: 0.5503834434576191
Energy: 0.5440303227991529
Energy: 0.5498638401453317
Energy: 0.5501003633256085
Energy: 0.5435938302326252
Energy: 0.6833626237056688
Energy: 0.5217658085928871
Energy: 0.5215499659232987
Energy: 0.5454822880967883
Energy: 0.5234707550500014
Energy: 0.5458079621301436
Energy: 0.5507229595001982
Energy: 0.5218164382893823
Energy: 0.5218348086984999
Energy: 0.5535886081488031
Energy: 0.5231753889029619
Energy: 0.5218241408824187
Energy: 0.5509941241053825
Energy: 0.5506283256078613
Energy: 0.5445457035456376
Energy: 0.5486809992513053
Energy: 0.550901860076044
Energy: 0.5449188750100518
Energy: 0.5869683417070977
Energy: 0.5688580788027193
Energy: 0.5697787817432076
Energy: 0.5871506877097226
Energy: 0.5446195079393877
Energy: 0.5780380841981999
Energy: 0.54740200978868
Energy: 0.5469225980178409
Energy: 0.545766788732819
Energy: 0.5632125985263124
Energy: 0.563401740351258
Energy: 0.5464548877375377
Energy: 1.1214957620692947
Energy: 0.5528998668578501
Energy: 0.5564005652400101
Energy: 0.5235197050281575
Energy: 0.5491517405280022
Energy: 0.5218135391176313
Energy: 0.570649567704659
Energy: 0.5491298443404695
Energy: 0.5493220741390114
Energy: 0.5182082121810438
Energy: 0.5588783421632427
Energy: 0.5225894312276302
Energy: 0.5501753820359554
Energy: 0.5463600865360728
Energy: 0.5458236517194561
Energy: 0.5490402005829587
Energy: 0.5495853890703055
Energy: 0.5460594830680048
Energy: 0.5475103148571818
Energy: 0.5449166936445986
Energy: 0.5458717911284896
Energy: 0.5490458465549134
Energy: 0.550147672132877
Energy: 0.5466341264034885
Energy: 0.5468647860642853
Energy: 0.5454180972206847
Energy: 0.5442406305330959
Energy: 0.5635014409808288
Energy: 0.5476513299740434
Energy: 0.5440060418528992
Energy: 0.5922435933347581
Energy: 0.5441095765482313
Energy: 0.5904209196963265
Energy: 0.9111039854740197
Energy: 0.546519037405864
Energy: 0.5775433658574625
Energy: 0.6166522850927482
Energy: 0.5469388354361405
Energy: 0.5455258154722513
Energy: 0.5627102367246675
Energy: 0.5481236305181352
Energy: 0.5449669831912178
Energy: 0.5706130446713973
Energy: 0.5862038045946377
Energy: 0.5459313935490488
Energy: 0.5216474465818914
Energy: 0.5866024300945576
Energy: 0.5429500328092969
Energy: 0.6166434777410602
Energy: 0.5483163237127416
Energy: 0.5503217204555664
Energy: 0.563485325409168
Energy: 0.5491939858127858
Energy: 0.547394706415217
Energy: 0.6163858328294479
Energy: 0.5510010422248528
Energy: 0.54469189785319
Energy: 0.5504481715908762
Energy: 0.5539011860705153
Energy: 0.5442187286015935
Energy: 0.6157931988910621
Energy: 0.5441779337947088
Energy: 0.5468666166078036
Energy: 0.5483060134703062
Energy: 0.5512700247063164
Energy: 0.5496770052643176
Energy: 0.6166236910234713
Energy: 0.5552684449267721
Energy: 0.5505605464492133
Energy: 0.5631368848890714
Energy: 0.5383249183349247
Energy: 0.5545766295289191
Energy: 0.5500455280402151
Energy: 0.5214960284130719
Energy: 0.5212968903167129
Energy: 0.5761138592917313
Energy: 0.5226388909652777
Energy: 0.5218572882205181
Energy: 0.5511915265407151
Energy: 0.5521185739979233
Energy: 0.5503546471491728
Energy: 0.5468357110196824
Energy: 0.550739431833102
Energy: 0.5508642325328923
Energy: 0.5499382992735656
Energy: 0.5446747470199796
Energy: 0.5440360610948816
Energy: 0.5504373466431364
Energy: 0.5480228917651905
Energy: 0.5440890192363006
Energy: 0.5484353611133749
Energy: 0.5436654219653022
Energy: 0.5482533314420925
Energy: 0.5635887628321479
Energy: 0.5488977783389184
Energy: 0.5458593766812032
Energy: 0.6579614678979677
Energy: 0.5487604265006403
Energy: 0.5232785043583967
Energy: 0.5327282293153642
Energy: 0.5478323080377623
Energy: 0.5229298401140183

minimum gb energy = 0.5182082121810438 eV
minimum distance =  2.57843471037904 Angstroms
sigma value = 33


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

Energy: 0.7384699463577924
Energy: 0.6134096113885719
Energy: 0.591088266871507
Energy: 0.5846470718519284
Energy: 0.6599084161809862
Energy: 0.5917708838960125
Energy: 0.6167233738559449
Energy: 0.584657994340206
Energy: 0.5850402616832312
Energy: 0.59884580164656
Energy: 0.597833622530692
Energy: 0.5847182248731218
Energy: 0.606708768372767
Energy: 0.5865364465960439
Energy: 0.588303222253247
Energy: 0.5875628845818578
Energy: 0.5870673436199446
Energy: 0.5863270688721449
Energy: 0.6055846673832874
Energy: 0.5863670799817783
Energy: 0.5893199054143664
Energy: 0.5870594831075155
Energy: 0.5872477097105389
Energy: 0.5887879532488663
Energy: 0.6041736077352046
Energy: 0.588780621076291
Energy: 0.5683944786111352
Energy: 0.6243160875240416
Energy: 0.6032437867143084
Energy: 0.5682777249950804
Energy: 0.641127309140081
Energy: 0.5898902165399432
Energy: 0.590061646865593
Energy: 0.5718676556036327
Energy: 0.59079647491018
Energy: 0.5902078640084721
Energy: 0.638690571797584
Energy: 0.5871608749108056
Energy: 0.5882177385499184
Energy: 0.5875622493465575
Energy: 0.6040964016629187
Energy: 0.6017548861078645
Energy: 0.6359152996597718
Energy: 0.6115094722863436
Energy: 0.5855103548660552
Energy: 0.5681645834841367
Energy: 0.6113196464793799
Energy: 0.5861973192730638
Energy: 0.641206516009748
Energy: 0.5681492437727775
Energy: 0.5687189437560668
Energy: 0.5713621109538144
Energy: 0.57005088777337
Energy: 0.5697772396094674
Energy: 0.6962790445712065
Energy: 0.586620961654184
Energy: 0.5858187367515136
Energy: 0.5867049258676736
Energy: 0.5861464422370559
Energy: 0.5932858163123566
Energy: 0.6400682402819643
Energy: 0.5891121085459682
Energy: 0.5884865571686504
Energy: 0.5868746118613596
Energy: 0.5907262222671691
Energy: 0.5878175453474848
Energy: 0.6393576289849695
Energy: 0.5671910915166163
Energy: 0.5669580856082186
Energy: 0.5873348571876023
Energy: 0.5746963643052233
Energy: 0.5670037898082342
Energy: 0.6489350939887393
Energy: 0.5675028625418084
Energy: 0.5674276869562829
Energy: 0.5690853284869861
Energy: 0.5781082871289921
Energy: 0.5671614393255316
Energy: 0.6087367005700182
Energy: 0.5877557262058919
Energy: 0.5870327178967941
Energy: 0.5989402129717334
Energy: 0.5876551027230066
Energy: 0.5866335016719055
Energy: 0.5677649454905517
Energy: 0.5881358452536269
Energy: 0.5873266097625433
Energy: 0.5871819073822002
Energy: 0.5883630219569591
Energy: 0.5879193142211694
Energy: 0.6048606404129835
Energy: 0.5980536203189866
Energy: 0.5853587532673332
Energy: 0.6187983051235879
Energy: 0.5980052997530579
Energy: 0.5859046229962723
Energy: 0.6404970068010344
Energy: 0.5864147431487193
Energy: 0.5862029712713154
Energy: 0.591227722185204
Energy: 0.5889662194370965
Energy: 0.594067253298928
Energy: 0.6401632671178574
Energy: 0.5684668618698053
Energy: 0.5686711856537324
Energy: 0.619385591816059
Energy: 0.5719763600754036
Energy: 0.5689529055107068
Energy: 0.6050715712561476
Energy: 0.5677442765352839
Energy: 0.5685117441221108
Energy: 0.585996246495938
Energy: 0.5678269461888067
Energy: 0.5885163836183069
Energy: 0.5701067960455334
Energy: 0.5680396787186224
Energy: 0.5680305613998979
Energy: 0.590968964257605
Energy: 0.5680639716951802
Energy: 0.5901099582717987
Energy: 0.5688691886450208
Energy: 0.5706003491936812
Energy: 0.5689390791011132
Energy: 0.5699736989797349
Energy: 0.5702969240723018
Energy: 0.5687979226281137
Energy: 0.6461121375511544
Energy: 0.5930520961216021
Energy: 0.5860877445446993
Energy: 0.6114404519431674
Energy: 0.5934066213797519
Energy: 0.5855839204261272
Energy: 0.6043088352156432
Energy: 0.5856397318633307
Energy: 0.5859097933939809
Energy: 0.5890022275060177
Energy: 0.6189213608509658
Energy: 0.5973350147654707
Energy: 0.6393046982671288
Energy: 0.5820049742092903
Energy: 0.567285920779183
Energy: 0.56854248569463
Energy: 0.5826584542479792
Energy: 0.5675074648756743
Energy: 0.6385752058354882
Energy: 0.6162178958389845
Energy: 0.5857739493262112
Energy: 0.5980722174917561
Energy: 0.5877129019326305
Energy: 0.5846506462146597
Energy: 0.606046708889033
Energy: 0.5894443532214775
Energy: 0.5921894173769419
Energy: 0.5868042423992125
Energy: 0.5861758965582843
Energy: 0.5937407669788698
Energy: 0.6067286603222254
Energy: 0.5901643613109583
Energy: 0.5882385741521416
Energy: 0.58599383922008
Energy: 0.5880500020607888
Energy: 0.5885438918346614
Energy: 0.6033447766451541
Energy: 0.5683720261479832
Energy: 0.5685848395936635
Energy: 0.6040064463936383
Energy: 0.5895584689849158
Energy: 0.5843132795090786
Energy: 0.7090680367467161
Energy: 0.5928853205850021
Energy: 0.5933256710498902
Energy: 0.6368902188282747
Energy: 0.5923644971683338
Energy: 0.5940277608967541
Energy: 0.640571397058098
Energy: 0.5708387541832135
Energy: 0.5687218461682686
Energy: 0.6187294724290487
Energy: 0.5905624128116249
Energy: 0.5902373027876482
Energy: 0.6363142044142683
Energy: 0.6081739275928625
Energy: 0.5850867235281098
Energy: 0.5684415413324436
Energy: 0.6095964916767392
Energy: 0.5857122935031714
Energy: 0.6426004945243456
Energy: 0.5930895050228829
Energy: 0.5690763265159818
Energy: 0.5720258583659897
Energy: 0.5686094653843446
Energy: 0.5693529454239031
Energy: 0.696435264543278
Energy: 0.587213265547226
Energy: 0.5908896209105027
Energy: 0.5871848718427524
Energy: 0.5879825772111675
Energy: 0.5897292657681666
Energy: 0.6967071133336019
Energy: 0.5876890140742886
Energy: 0.590007749079429
Energy: 0.5867664143895339
Energy: 0.5886361972052527
Energy: 0.5902084255101973
Energy: 0.6420530018136852
Energy: 0.5667369198285235
Energy: 0.567045388097121
Energy: 0.5695830731395575
Energy: 0.5948010690409371
Energy: 0.5703084719324721
Energy: 0.6490413750735358
Energy: 0.5680777123649784
Energy: 0.5671629591206636
Energy: 0.569966000847397
Energy: 0.5684024745177428
Energy: 0.5670507058953459
Energy: 0.6059401553712043
Energy: 0.5998933407068262
Energy: 0.5859915587455657
Energy: 0.6024423291711145
Energy: 0.6007349234460344
Energy: 0.5851034067383131
Energy: 0.6001232472258132
Energy: 0.5863742558177761
Energy: 0.6120234852551246
Energy: 0.6018666312299252
Energy: 0.5860064951112417
Energy: 0.6124348499592522
Energy: 0.606117582104295
Energy: 0.5985904813150198
Energy: 0.5864444857179785
Energy: 0.5871977318697701
Energy: 0.5993015171361087
Energy: 0.5865201993812018
Energy: 0.6405411868620691
Energy: 0.569926576168572
Energy: 0.5683034610521359
Energy: 0.5893965542169751
Energy: 0.5694667211415265
Energy: 0.5922038641367127
Energy: 0.6959684135293511
Energy: 0.5687509241510754
Energy: 0.5680179775595843
Energy: 0.6023536165285146
Energy: 0.5706823883738469
Energy: 0.5694111599425566
Energy: 0.6098131684498639
Energy: 0.5682870648022176
Energy: 0.5677979821420575
Energy: 0.5860041415520832
Energy: 0.5707934165930677
Energy: 0.5884580637371402
Energy: 0.6100472059148656
Energy: 0.5677074186063932
Energy: 0.568145935948359
Energy: 0.5860195965462345
Energy: 0.5675524673779686
Energy: 0.5704862731285898
Energy: 0.5677020087403856
Energy: 0.5690988124827613
Energy: 0.570309909103959
Energy: 0.5686190846223106
Energy: 0.5708956686657448
Energy: 0.5708229366648574
Energy: 0.6437408873119328
Energy: 0.5950628568702399
Energy: 0.6070216816192658
Energy: 0.6112103750818361
Energy: 0.594254604011292
Energy: 0.6081968986332057
Energy: 0.6051464793263764
Energy: 0.5848540888752538
Energy: 0.5870368727057492
Energy: 0.5906448406936561
Energy: 0.6208420309860763
Energy: 0.5903886066221572
Energy: 0.7497289883269883
Energy: 0.5703581946647914
Energy: 0.5672586172220517
Energy: 0.5682658625644238
Energy: 0.5703340447274926
Energy: 0.5671391606731575

minimum gb energy = 0.5667369198285235 eV
minimum distance =  2.58482745068835 Angstroms
sigma value = 67


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

Energy: 0.883194705865317
Energy: 0.6683150195818506
Energy: 0.6302322362088921
Energy: 0.6298587019102341
Energy: 0.6678837086099384
Energy: 0.6306949606545125
Energy: 0.6616651280586556
Energy: 0.6233931915519733
Energy: 0.6226662936725506
Energy: 0.6234246416775767
Energy: 0.6249813281313303
Energy: 0.6220550233075414
Energy: 0.6602675807985037
Energy: 0.601793631374333
Energy: 0.6273137680725571
Energy: 0.6257411888724389
Energy: 0.6006182778992107
Energy: 0.626984049812662
Energy: 0.6600375737353319
Energy: 0.6245190329055282
Energy: 0.62516228566573
Energy: 0.6235309023381517
Energy: 0.6242983009505415
Energy: 0.6252802814088327
Energy: 0.6573334638513542
Energy: 0.6248123269078958
Energy: 0.6252593678017097
Energy: 0.6284579245726614
Energy: 0.6247236685592208
Energy: 0.6257163202255727
Energy: 0.6588923007197854
Energy: 0.6254206359520651
Energy: 0.6280969128526691
Energy: 0.6281403924908084
Energy: 0.6253900424215483
Energy: 0.6283517662185345
Energy: 0.7070244588749547
Energy: 0.6244628994440057
Energy: 0.6228107709528334
Energy: 0.598551783438664
Energy: 0.624651471241345
Energy: 0.6223424333611054

minimum gb energy = 0.598551783438664 eV
minimum distance =  2.62985748946289 Angstroms
sigma value = 3


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

Energy: 0.9452137233496731
Energy: 0.8110927011312148
Energy: 0.7212049774349578
Energy: 0.7607937010678691
Energy: 0.8249564402933824
Energy: 0.7206832021094423
Energy: 0.7378684238716617
Energy: 0.7406459825397432
Energy: 0.7200087081391763
Energy: 0.7402800962190195
Energy: 0.7428952555719469
Energy: 0.7126153146309769
Energy: 0.7549573018340371
Energy: 0.7306452655053894
Energy: 0.7292420926602883
Energy: 0.7560835239798642
Energy: 0.7285850058153828
Energy: 0.7167961622550976
Energy: 0.7136423766816126
Energy: 0.7130490227060988
Energy: 0.7136526505244264
Energy: 0.7146704820314141
Energy: 0.7237125740434376
Energy: 0.715253787899227
Energy: 0.7246262500689398
Energy: 0.7097210817174417
Energy: 0.7098917659741758
Energy: 0.724675890683289
Energy: 0.7108705755697554
Energy: 0.717040779836441
Energy: 0.7126930979524464
Energy: 0.7091951938619592
Energy: 0.7099995639165989
Energy: 0.7137591923122243
Energy: 0.7098634110203486
Energy: 0.716405835449114
Energy: 0.7124092913534742
Energy: 0.7163073475102159
Energy: 0.7154204515566588
Energy: 0.7106695844267963
Energy: 0.7222154764216806
Energy: 0.7228851509572645
Energy: 0.8856640705667357
Energy: 0.7527272851519595
Energy: 0.7476210390951985
Energy: 0.7537363663232851
Energy: 0.7222637213459319
Energy: 0.7477699303005215
Energy: 0.7167938710201333
Energy: 0.7197570057619056
Energy: 0.706357584821129
Energy: 0.7139457490983078
Energy: 0.7049938306425758
Energy: 0.7346106660371213
Energy: 0.7132433391967067
Energy: 0.7030938889473145
Energy: 0.7015570161511757
Energy: 0.7109670058483961
Energy: 0.7017994426854515
Energy: 0.7267509259469301
Energy: 0.7198876170596699
Energy: 0.733170540732514
Energy: 0.730582841914801
Energy: 0.7227490650117523
Energy: 0.7022149339634401
Energy: 0.7178552979484937
Energy: 0.7547437935796901
Energy: 0.7135877858038044
Energy: 0.7105016623446341
Energy: 0.7166550233235175
Energy: 0.7222073402929908
Energy: 0.7096538133001695
Energy: 0.723412198849201
Energy: 0.7124073841293223
Energy: 0.7132679309061714
Energy: 0.6998148380627107
Energy: 0.7126377088270971
Energy: 0.7155138973043218
Energy: 0.7186117488929892
Energy: 0.7174588203745977
Energy: 0.7158407170288731
Energy: 0.7177061439275912
Energy: 0.7141315792394288
Energy: 0.7125156611332057
Energy: 0.7538050589336543
Energy: 0.7581421969609886
Energy: 0.7553245783019003
Energy: 0.7155139102249475
Energy: 0.7572388747087155
Energy: 0.7168133057300301
Energy: 0.7512218969072891
Energy: 0.7357764270213873
Energy: 0.7394884188212949
Energy: 0.742663365690181
Energy: 0.7413057027508646
Energy: 0.7402458453233373
Energy: 0.8287221210687508
Energy: 0.7171812977859829
Energy: 0.7170606093839688
Energy: 0.7353930615519305
Energy: 0.716188963219503
Energy: 0.7445842057619774
Energy: 0.7153887437931292
Energy: 0.7372481705286137
Energy: 0.7465146353319797
Energy: 0.7110475107499379
Energy: 0.742091289000336
Energy: 0.7240632349141506
Energy: 0.8556357957784926
Energy: 0.7131227017046076
Energy: 0.7160041764131713
Energy: 0.7662954007160323
Energy: 0.7501090551096533
Energy: 0.6993803392473174
Energy: 0.7845063380574521
Energy: 0.7188912344761165
Energy: 0.7155674360024308
Energy: 0.7375296064886935
Energy: 0.7110502795583661
Energy: 0.700686566430478
Energy: 0.7106462407354487
Energy: 0.7150640090055037
Energy: 0.7246043043024926
Energy: 0.7108300500761922
Energy: 0.711905511427521
Energy: 0.7242615147689715
Energy: 0.7119035451657177
Energy: 0.7132532485334995
Energy: 0.7132690098361052
Energy: 0.7169522454162548
Energy: 0.7133558583828546
Energy: 0.7129828285491622
Energy: 0.7170493299490196
Energy: 0.7198805368599013
Energy: 0.718181098436478
Energy: 0.7179208901491406
Energy: 0.7106111678647854
Energy: 0.7179653493455178
Energy: 0.7103725279670464
Energy: 0.7179646589605083
Energy: 0.7176057126836141
Energy: 0.7104900859098802
Energy: 0.7169561907928775
Energy: 0.718944722537797
Energy: 0.7128814083800626
Energy: 0.711585394384733
Energy: 0.7418272187923779
Energy: 0.73861802512107
Energy: 0.7132714181523956
Energy: 0.7439323109300436
Energy: 0.8539272003956947
Energy: 0.7571243772162265
Energy: 0.7524496331553825
Energy: 0.7270704566887599
Energy: 0.7536271456084728
Energy: 0.7272458361417693
Energy: 0.6986490542888721
Energy: 0.7511123032585421
Energy: 0.7286992190350643
Energy: 0.7288824396283398
Energy: 0.7467404192334559
Energy: 0.7269875643959455
Energy: 0.7140598253642992
Energy: 0.7407744434818605
Energy: 0.7439266530353355
Energy: 0.7427658191575968
Energy: 0.7382970390426313
Energy: 0.7449079297731492
Energy: 0.7169447154194336
Energy: 0.7310027689402647
Energy: 0.7305888911040094
Energy: 0.7169130296189726
Energy: 0.7308724886408184
Energy: 0.7182897192330724
Energy: 0.7133586098890408
Energy: 0.718413085139147
Energy: 0.722517689792796
Energy: 0.7143076345685349
Energy: 0.7180133390084756
Energy: 0.7226002007007621
Energy: 0.7137394559125986
Energy: 0.7159398599100784
Energy: 0.714406961137713
Energy: 0.7140816053271842
Energy: 0.7161434632472795
Energy: 0.7153631044559962
Energy: 0.7215533280219049
Energy: 0.7164566575925546
Energy: 0.7070997535092021
Energy: 0.7050513203309781
Energy: 0.7157178497919083
Energy: 0.7085340532041281
Energy: 0.8675711257622764
Energy: 0.7434671986690508
Energy: 0.7450796152525977
Energy: 0.7142671666684337
Energy: 0.7255751948386115
Energy: 0.7153549011206257
Energy: 0.8130956844908566
Energy: 0.7298290547302315
Energy: 0.7088478433981633
Energy: 0.7481373478153348
Energy: 0.7085534686651226
Energy: 0.7084605776659865
Energy: 0.7128106040619933
Energy: 0.720558884011732
Energy: 0.7228155450352394
Energy: 0.7043194422234436
Energy: 0.7275673455931364
Energy: 0.7082941958113171
Energy: 0.7548795663378552
Energy: 0.703505528405181
Energy: 0.7025669014279415
Energy: 0.7386997081788795
Energy: 0.7019419333486852
Energy: 0.7257848318475828
Energy: 0.755564132361174
Energy: 0.7206489291833496
Energy: 0.7252423493846354
Energy: 0.7153793272589893
Energy: 0.7048174853447802
Energy: 0.7073232316787826
Energy: 0.7215490617180974
Energy: 0.7155884029208798
Energy: 0.7147901495119738
Energy: 0.69852829341691
Energy: 0.7166109558686438
Energy: 0.8014741719718395
Energy: 0.7086281347216309
Energy: 0.7206592839150924
Energy: 0.7130823541296419
Energy: 0.7169318107275187
Energy: 0.7166204698087973
Energy: 0.7088176950551869
Energy: 0.7563422705084437
Energy: 0.7175496057675724
Energy: 0.717582255160366
Energy: 0.7129891581059301
Energy: 0.7169891052391555
Energy: 0.7172039582354411
Energy: 0.7538866702331266
Energy: 0.7452639230918762
Energy: 0.7471664497279783
Energy: 0.7383261567632137
Energy: 0.7468560586074434
Energy: 0.7467816065091133
Energy: 0.8027851084983922
Energy: 0.7255401558342381
Energy: 0.7139425297281019
Energy: 0.7050849913422347
Energy: 0.7116775269247562
Energy: 0.7139852095531115
Energy: 0.8050141042677341
Energy: 0.7146580640137621
Energy: 0.7152750598681936
Energy: 0.7488180217831533
Energy: 0.7151743565519726
Energy: 0.7415608584754418
Energy: 0.7155626343343245
Energy: 0.7377216825426753
Energy: 0.7375031987302166
Energy: 0.7127446195258533
Energy: 0.7442486709036614
Energy: 0.7428090079023569
Energy: 1.0066399104174535
Energy: 0.7107343163105231
Energy: 0.7408055125996348
Energy: 0.7498460867764789
Energy: 0.7110425233971868
Energy: 0.7419191181549533
Energy: 0.7184215656280606
Energy: 0.7148160208828637
Energy: 0.7133317428736977
Energy: 0.7146855722804453
Energy: 0.7134668343921545
Energy: 0.7163379795754254
Energy: 0.7118014638380393
Energy: 0.7150715852161647
Energy: 0.7141580992627539
Energy: 0.7145867014099188
Energy: 0.7169293602288693
Energy: 0.7132059372049155
Energy: 0.7105011513045998
Energy: 0.7180062815833564
Energy: 0.7150054101257881
Energy: 0.7131961600081166
Energy: 0.7148695155490353
Energy: 0.7271291103190246
Energy: 0.7097034253204824
Energy: 0.7133325482342985
Energy: 0.7140633524080982
Energy: 0.7103731365572458
Energy: 0.715590527252398
Energy: 0.7100857761436468
Energy: 0.7160212504673742
Energy: 0.7144789244453063
Energy: 0.7145467917901358
Energy: 0.7203875085675004
Energy: 0.7163863727860798
Energy: 0.7157938370247181
Energy: 0.7224713746291084
Energy: 0.7088341642301681
Energy: 0.7260468660233002
Energy: 0.7222856504422103
Energy: 0.7263185927869773
Energy: 0.7203246548522301

minimum gb energy = 0.69852829341691 eV
minimum distance =  2.54635920291178 Angstroms
sigma value = 81


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

Energy: 1.447702950531756
Energy: 0.7213977903193687
Energy: 0.6954918343930764
Energy: 0.6956474472441719
Energy: 0.7174516224071076
Energy: 0.7803293276382968
Energy: 0.8341163069904391
Energy: 0.7137084926600377
Energy: 0.7164358289064547
Energy: 0.7014480412129038
Energy: 0.7144256050671611
Energy: 0.727009886627951
Energy: 0.8688459502084175
Energy: 0.7668670349373484
Energy: 0.7621433478655267
Energy: 0.7187161514344109
Energy: 0.7554621379142815
Energy: 0.8155860912878516
Energy: 0.8655835836708197
Energy: 0.7676297252195834
Energy: 0.7992811783524031
Energy: 0.7108185368444238
Energy: 0.7704428753481112
Energy: 0.705262732701985
Energy: 0.8664629450482778
Energy: 0.7533389593590099
Energy: 0.8589907685711066
Energy: 0.7104140095705759
Energy: 0.8550240847321097
Energy: 0.7109452895694969
Energy: 0.8715943748483687
Energy: 0.8528004787622141
Energy: 0.8494167648306469
Energy: 0.8611834912419801
Energy: 0.729000746355367
Energy: 0.8527877099571299
Energy: 0.862558641312605
Energy: 0.7827691500542613
Energy: 0.7898795097513183
Energy: 0.89888070267165
Energy: 0.7172287471407824
Energy: 0.7839580945550728
Energy: 0.9658019244061299
Energy: 0.9231156282392008
Energy: 0.9092497289915212
Energy: 0.7530638396246471
Energy: 0.9239580183062369
Energy: 0.7670437312519408
Energy: 0.8909619583574291
Energy: 0.8575396210257598
Energy: 0.8658393526149872
Energy: 0.8943563073132854
Energy: 0.8592688700965168
Energy: 0.8618074474720463
Energy: 0.9098118718832413
Energy: 0.7440385582512673
Energy: 0.7574737916491253
Energy: 0.9269908084716808
Energy: 0.7687501247370494
Energy: 0.7565269924743974
Energy: 0.8687155581047522
Energy: 0.749070321249579
Energy: 0.7477331012974521
Energy: 0.7672104175704965
Energy: 0.7407934189666127
Energy: 0.853582055772466
Energy: 0.8077947941927585
Energy: 0.8622906770112696
Energy: 0.858682238421847
Energy: 0.768806228086452
Energy: 0.8610173150208537
Energy: 0.861088970434048
Energy: 0.8079260212089746
Energy: 0.7683150136827572
Energy: 0.8661913360212579
Energy: 0.7555734168119645
Energy: 0.7269917737746305
Energy: 0.763974100944479
Energy: 0.8682720873105684
Energy: 0.7863289787482312
Energy: 0.7883340699286482
Energy: 0.6586215639809756
Energy: 0.7280390088206711
Energy: 0.7899533630609341
Energy: 1.0265979683325483
Energy: 0.7208981841025891
Energy: 0.9162239808464681
Energy: 0.6751300596621421
Energy: 0.8628665681851146
Energy: 0.671508645293069
Energy: 0.8710607867141273
Energy: 0.6573033134266705
Energy: 0.6763265861157158
Energy: 0.6580526678003026
Energy: 0.6587605006295504
Energy: 0.6794242989354705
Energy: 0.9826656986476433
Energy: 0.7533875338518028
Energy: 0.756352537326845
Energy: 0.7716046480279601
Energy: 0.7541074649336542
Energy: 0.7640417745726563
Energy: 0.6562377999737763
Energy: 0.6568416778034684
Energy: 0.6715139752565021
Energy: 0.6563732279926119
Energy: 0.7072691281239833
Energy: 0.6752607111841852
Energy: 0.7957396272625603
Energy: 0.6573282108656923
Energy: 0.7743743799817652
Energy: 0.748830890068596
Energy: 0.6583687608763621
Energy: 0.6598793290827335
Energy: 0.7952879142792083
Energy: 0.6579609581761111
Energy: 0.7738596169024503
Energy: 0.7523777749680872
Energy: 0.6570436187016082
Energy: 0.6598608498915821
Energy: 0.6563812298857552
Energy: 0.6563551617883792
Energy: 0.6756003144157534
Energy: 0.6573755111469604
Energy: 0.656157292830212
Energy: 0.676950502813903
Energy: 0.874129382631369
Energy: 0.7620365253626555
Energy: 0.7624877853029365
Energy: 0.6585136329820234
Energy: 0.7687244279371632
Energy: 0.7692715349632632
Energy: 0.8670036901432189
Energy: 0.6596524870842454
Energy: 0.6752678068043519
Energy: 0.6571253552215899
Energy: 0.6578049987239245
Energy: 0.6772483771815196
Energy: 0.8766030794649813
Energy: 0.657230059727229
Energy: 0.6688420357791688
Energy: 0.6580469758807962
Energy: 0.7969215957328072
Energy: 0.6572770734532404
Energy: 0.8654805964498405
Energy: 0.796820716950527
Energy: 0.7968993984141342
Energy: 0.7040369083551614
Energy: 0.7302535125001464
Energy: 0.7952031385328113
Energy: 0.9050436590076146
Energy: 0.8366461104772995
Energy: 0.9022550015916849
Energy: 0.7544975689411448
Energy: 0.7689616438719847
Energy: 0.9005573767924819
Energy: 0.9081139366816158
Energy: 0.8698585600235114
Energy: 0.8610959812074427
Energy: 0.7533827455202192
Energy: 0.8585667849271272
Energy: 0.8669931941461899
Energy: 0.8673868682078995
Energy: 0.7482330642922443
Energy: 0.855376563399962
Energy: 0.8185819218795853
Energy: 0.7478188754088004
Energy: 0.7819229072445201
Energy: 0.9023487716279062
Energy: 0.7558665646615992
Energy: 0.7578732001685258
Energy: 0.8696933836868601
Energy: 0.763218784818002
Energy: 0.7568320160203165
Energy: 0.893940081056231
Energy: 0.8579907128711219
Energy: 0.8614110524664897
Energy: 0.7662731756995715
Energy: 0.8583763889480471
Energy: 0.8571708291897758
Energy: 0.8076421920122131
Energy: 0.9134776907617744
Energy: 0.8655017689770201
Energy: 0.7672516810560248
Energy: 0.8875537851452445
Energy: 0.7656808023675237
Energy: 0.8685417811696259
Energy: 0.7121723277210796
Energy: 0.7929109461032208
Energy: 0.6592812470605885
Energy: 0.7101581446975046
Energy: 0.7794973014481688
Energy: 0.965949346132819
Energy: 0.8488271469981851
Energy: 0.7114085474295495
Energy: 0.8578539441840544
Energy: 0.7098948283331891
Energy: 0.8502006657278844
Energy: 0.8687797615581115
Energy: 0.7047290724134377
Energy: 0.8573325940084834
Energy: 0.7324761338702566
Energy: 0.84903452781334
Energy: 0.7337280187641152
Energy: 0.8708697946107071
Energy: 0.7197738474452593
Energy: 0.711770381331899
Energy: 0.7142077178819348
Energy: 0.7547792355413303
Energy: 0.7029378393518795
Energy: 0.9524508409152475
Energy: 0.7542329431926453
Energy: 0.7542902902700855
Energy: 0.7742800721889439
Energy: 0.7538422535375888
Energy: 0.9543065347757107
Energy: 0.8628908336598936
Energy: 0.7131343664411051
Energy: 0.727366069005157
Energy: 0.7014794902630437
Energy: 0.7136590291400567
Energy: 0.7339885464883109
Energy: 0.9040558197892128
Energy: 0.718117554206518
Energy: 0.6971384951306235
Energy: 0.6779578424583094
Energy: 0.719058223722005
Energy: 0.7808037929422327

minimum gb energy = 0.656157292830212 eV
minimum distance =  2.49638333214696 Angstroms
sigma value = 43


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

Energy: 1.0566085331993376
Energy: 0.7612672879230358
Energy: 0.6987740627960367
Energy: 0.8044995077741496
Energy: 0.802756610333854
Energy: 0.7021374347300179
Energy: 0.6818140838785048
Energy: 0.6954882084217144
Energy: 0.6945227725263813
Energy: 0.733542894489488
Energy: 0.6890986951693014
Energy: 0.6974952383491119
Energy: 0.689740481552862
Energy: 0.6842204138264191
Energy: 0.6816523759752249
Energy: 0.7413176698629234
Energy: 0.6836908318302063
Energy: 0.691916821571971
Energy: 0.6914334401754613
Energy: 0.6837464814977132
Energy: 0.6963002227750339
Energy: 0.6915422602819654
Energy: 0.694827513979866
Energy: 0.6961422811938114
Energy: 0.6907484078540306
Energy: 0.6977600500320412
Energy: 0.6958029228152599
Energy: 0.6949206737506828
Energy: 0.6969960965317674
Energy: 0.696889125079369
Energy: 0.6914108117032546
Energy: 0.6970270442796045
Energy: 0.6966831604082675
Energy: 0.6965868550831702
Energy: 0.6979840647097357
Energy: 0.6968884835784696
Energy: 0.6929142148736891
Energy: 0.6965332294481962
Energy: 0.6972212966444874
Energy: 0.6984657574096965
Energy: 0.6920091421449032
Energy: 0.697775748560258
Energy: 0.7774102087226068
Energy: 0.6889228765278127
Energy: 0.688892956171496
Energy: 0.6943424835748245
Energy: 0.6889099963029209
Energy: 0.7327014569685754
Energy: 0.6893812828518041
Energy: 0.6887807062661919
Energy: 0.6968208300561234
Energy: 0.6893892390941825
Energy: 0.7324814737492905
Energy: 0.6960958456034682
Energy: 0.8524263060889422
Energy: 0.6935932512056118
Energy: 0.6933173973847659
Energy: 0.7040834691980449
Energy: 0.6964297491222993
Energy: 0.6932880604211676
Energy: 0.6959977002465945
Energy: 0.7016270760201746
Energy: 0.7086304124898583
Energy: 0.6893653212505021
Energy: 0.7065968164214624
Energy: 0.7114573296545962
Energy: 0.697635413289585
Energy: 0.6923535485147672
Energy: 0.6924191979292044
Energy: 0.6957156956771812
Energy: 0.6923522361029845
Energy: 0.6930572780307497
Energy: 0.8083306034892714
Energy: 0.6912961522758446
Energy: 0.701127424131471
Energy: 0.6854570640304896
Energy: 0.6908778146469473
Energy: 0.7013595613421423
Energy: 0.6973439220723441
Energy: 0.6974151438792433
Energy: 0.697147908425304
Energy: 0.6884780053878728
Energy: 0.6953650071794363
Energy: 0.6976494068910498
Energy: 0.7024611759457785
Energy: 0.6987993361256783
Energy: 0.7137374203165971
Energy: 0.7034966079745927
Energy: 0.6917240431463987
Energy: 0.7171480327964305
Energy: 0.6957090655591811
Energy: 0.6980309527838529
Energy: 0.7044797813389528
Energy: 0.6955575453169055
Energy: 0.6992210975832386
Energy: 0.7042535887355149
Energy: 0.6966906045640824
Energy: 0.7118136743618749
Energy: 0.7149452744083554
Energy: 0.696637033548758
Energy: 0.697754055271602
Energy: 0.6961277172663989
Energy: 0.6954361051689075
Energy: 0.7013245074672501
Energy: 0.7091725584604452
Energy: 0.7166485270917079
Energy: 0.7084860471639928
Energy: 0.7075619731082798
Energy: 0.6898309330853297
Energy: 0.6953457507161395
Energy: 0.7038067208875091
Energy: 0.7006087994109436
Energy: 0.6954837462353817
Energy: 0.6964797700560962
Energy: 0.7970026155139086
Energy: 0.6956534623212879
Energy: 0.7039902574236105
Energy: 0.6991617221584961
Energy: 0.6959476815382873
Energy: 0.6928701125908889
Energy: 0.6947613215677805
Energy: 0.7025901632912225
Energy: 0.7014729046635741
Energy: 0.7131389041619267
Energy: 0.6995455356251131
Energy: 0.707798903864941
Energy: 0.7816523817162286
Energy: 0.7013660220874937
Energy: 0.7520572485027661
Energy: 0.7139732910782258
Energy: 0.6798584213275825
Energy: 0.7604560361687848
Energy: 0.7078079422250974
Energy: 0.7019530255892514
Energy: 0.7019841880536358
Energy: 0.702473340651481
Energy: 0.7179548875197481
Energy: 0.7088556494879029
Energy: 0.7525565874044324
Energy: 0.6957244841563196
Energy: 0.6954307175088946
Energy: 0.7076551611404018
Energy: 0.6967691274138196
Energy: 0.6957953695648748
Energy: 0.7085860187796309
Energy: 0.695136929083774
Energy: 0.6955826884056785
Energy: 0.7025097022634335
Energy: 0.6946193211818881
Energy: 0.704473318640775
Energy: 0.7267000119605204
Energy: 0.7046899141204649
Energy: 0.7040766341314396
Energy: 0.691157563829875
Energy: 0.6963531719696666
Energy: 0.6989528438563345
Energy: 0.7267404664371703
Energy: 0.7042094339762486
Energy: 0.7051333090728809
Energy: 0.6883401211860979
Energy: 0.7048375572749666
Energy: 0.7005724237228151
Energy: 0.739316593549274
Energy: 0.6960180382312823
Energy: 0.6989821917097501
Energy: 0.6920641615632404
Energy: 0.6991445206112915
Energy: 0.6972963137184696
Energy: 0.6905772332283132
Energy: 0.6909878626387205
Energy: 0.6905494727042755
Energy: 0.6904603375488709
Energy: 0.6937807943687138
Energy: 0.690358949322641
Energy: 0.691652718073809
Energy: 0.6949407609634806
Energy: 0.6977133216160586
Energy: 0.7327267734553334
Energy: 0.6895199899669987
Energy: 0.6976015597764588
Energy: 0.9413841174657952
Energy: 0.7256461626691797
Energy: 0.714708793446914
Energy: 0.7037328348709968
Energy: 0.7251664380574716
Energy: 0.6802786254765636

minimum gb energy = 0.6798584213275825 eV
minimum distance =  2.55976498122389 Angstroms
sigma value = 57


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

Energy: 0.8026564056774617
Energy: 0.8117861130298589
Energy: 0.7032541126646841
Energy: 0.6880747472624722
Energy: 0.8115850902859717
Energy: 0.7186091916259711
Energy: 0.6918254426221981
Energy: 0.7174288274460784
Energy: 0.7188524232720561
Energy: 0.7502544443453268
Energy: 0.7517578160881518
Energy: 0.7169134495141276
Energy: 0.719054609247864
Energy: 0.6905596313460248
Energy: 0.6914651101400516
Energy: 0.7270811569622572
Energy: 0.6902526796173777
Energy: 0.691254702458376
Energy: 0.7338905493912813
Energy: 0.6909505794992151
Energy: 0.6921227677470788
Energy: 0.7350961379638266
Energy: 0.6878052481487138
Energy: 0.718604329057281
Energy: 0.7397412105495182
Energy: 0.7084838209877132
Energy: 0.7092939663580041
Energy: 0.7301683470108604
Energy: 0.7083771847919736
Energy: 0.7128169875827369
Energy: 0.7035686114638399
Energy: 0.7096053064572776
Energy: 0.710081076104582
Energy: 0.7170405905132149
Energy: 0.7101842470932369
Energy: 0.7112548762674116
Energy: 0.6763154003444748
Energy: 0.7160236791483652
Energy: 0.7196842860009464
Energy: 0.6642030365734565
Energy: 0.7164366330794067
Energy: 0.7361625195516348
Energy: 0.7535930309258678
Energy: 0.7621182723375041
Energy: 0.7419393862929918
Energy: 0.6883291781641612
Energy: 0.7623252468729681
Energy: 0.7603418262470757
Energy: 0.6760938772903526
Energy: 0.734684728628239
Energy: 0.7373757288995446
Energy: 0.6640818047456808
Energy: 0.7624913833676061
Energy: 0.6593425409757775
Energy: 0.6783267452786438
Energy: 0.7023329639828035
Energy: 0.7005370177119056
Energy: 0.6725772464211356
Energy: 0.7019435901578593
Energy: 0.7084817149853957
Energy: 0.6595196062051942
Energy: 0.7326955353473457
Energy: 0.6557423687657893
Energy: 0.6703743480163957
Energy: 0.698814393551384
Energy: 0.656341967872363
Energy: 0.667315044899247
Energy: 0.7312589579708179
Energy: 0.7312179835483298
Energy: 0.6674444973995143
Energy: 0.7042347836641428
Energy: 0.6560670956910206
Energy: 0.6653016183342149
Energy: 0.7243506798179951
Energy: 0.7256215512727375
Energy: 0.656224286554463
Energy: 0.7045345638884528
Energy: 0.6610440591379965
Energy: 0.6642054921536568
Energy: 0.6559784137342776
Energy: 0.657929779937015
Energy: 0.6686391961282793
Energy: 0.6585986446020845
Energy: 0.6572937615612267
Energy: 0.6649417810714258
Energy: 0.6864568957687167
Energy: 0.6797774856973118
Energy: 0.6790778786981706
Energy: 0.6869112300804128
Energy: 0.7399416464512667
Energy: 0.6842502879459885
Energy: 0.6577187619021487
Energy: 0.6711409743667098
Energy: 0.6698850787117532
Energy: 0.6576175465121895
Energy: 0.6670720001258004
Energy: 0.6707240205347114
Energy: 0.7289082669759477
Energy: 0.71900845198964
Energy: 0.6585572852478899
Energy: 0.7287111838509891
Energy: 0.7286480642778215
Energy: 0.6720567542464161
Energy: 0.7334808540873327
Energy: 0.7297039205927788
Energy: 0.6643900733934225
Energy: 0.7265721781056688
Energy: 0.7323580945057194
Energy: 0.7573148129325493
Energy: 0.7392243260388739
Energy: 0.7157343562695929
Energy: 0.6569128072073147
Energy: 0.7401949517865648
Energy: 0.7158250856634315
Energy: 0.7554586566092999
Energy: 0.7392091182043816
Energy: 0.7111724146754673
Energy: 0.7148212982935127
Energy: 0.7394410882429296
Energy: 0.712597003850473
Energy: 0.7324055002222968
Energy: 0.7212576889075384
Energy: 0.7212909453264946
Energy: 0.7064519867270214
Energy: 0.7487652717048676
Energy: 0.7215721560540576
Energy: 0.7875104585204539
Energy: 0.699101487381233
Energy: 0.7019863535100574
Energy: 0.718037253424777
Energy: 0.7002392059314697
Energy: 0.7014066050818129
Energy: 0.7280623103064141
Energy: 0.719240995013547
Energy: 0.7206965054662322
Energy: 0.7078342790538334
Energy: 0.7524992129500366
Energy: 0.7176740638973763
Energy: 0.6960018162975081
Energy: 0.7393868539534875
Energy: 0.7194044894860582
Energy: 0.7011580560465501
Energy: 0.7396531876588979
Energy: 0.7190132706472421

minimum gb energy = 0.6557423687657893 eV
minimum distance =  2.51787584690392 Angstroms
sigma value = 17


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

Energy: 0.785097516091396
Energy: 0.7445728442154528
Energy: 0.8321034072875448
Energy: 0.6703767665948445
Energy: 0.7250170475633408
Energy: 0.6691731880031404
Energy: 0.6600784222512285
Energy: 0.689342530944104
Energy: 0.6894197201594123
Energy: 0.7565246332240189
Energy: 0.7472859592300356
Energy: 0.6898611149139073
Energy: 0.7190421920065553
Energy: 0.6539258759562622
Energy: 0.6641840730007544
Energy: 0.7315481028476918
Energy: 0.6537945860551048
Energy: 0.6648452915880886
Energy: 0.7307800450306408
Energy: 0.6643514870835329
Energy: 0.6681003778640281
Energy: 0.7310314280860183
Energy: 0.6571276645481672
Energy: 0.6908864756735356
Energy: 0.6578414115060461
Energy: 0.647341797812831
Energy: 0.6481387173915234
Energy: 0.6581490114436069
Energy: 0.6520471852230902
Energy: 0.6401449524199185
Energy: 0.6663405371201097
Energy: 0.6511169795478976
Energy: 0.6519445531653187
Energy: 0.6268812299529772
Energy: 0.6546451443998973
Energy: 0.6255098759139198
Energy: 0.6496261892823009
Energy: 0.648662222814015
Energy: 0.6386571662628343
Energy: 0.6555673411149704
Energy: 0.6527279473487939
Energy: 0.6359258424769748
Energy: 0.6474522237554291
Energy: 0.6240562635996978
Energy: 0.6242104660343121
Energy: 0.6242614121758508
Energy: 0.6234816617278358
Energy: 0.6241073302877764
Energy: 0.6509036013092067
Energy: 0.622097227288591
Energy: 0.6216148931439225
Energy: 0.6525167098981445
Energy: 0.6237574081841812
Energy: 0.6359863294776895
Energy: 0.6565400838028025
Energy: 0.6452664186411537
Energy: 0.6456351650851323
Energy: 0.6557692801012284
Energy: 0.6434729865136858
Energy: 0.6513631265311761
Energy: 0.62481951735801
Energy: 0.6399484258513157
Energy: 0.6399395823570798
Energy: 0.6519861147193546
Energy: 0.6903552359269017
Energy: 0.6544180628972642
Energy: 0.6588798165401947
Energy: 0.7333841507717636
Energy: 0.6927503959922116
Energy: 0.6235023646987572
Energy: 0.7348262572434405
Energy: 0.6916382902093838
Energy: 0.648485643675014
Energy: 0.7309023224837843
Energy: 0.7320018052175761
Energy: 0.640891123851197
Energy: 0.7309572127785117
Energy: 0.7284506117326093
Energy: 0.7503763480265903
Energy: 0.7584909173677084
Energy: 0.6840795862683962
Energy: 0.7575994610749899
Energy: 0.7575349489657434
Energy: 0.6836122836398826
Energy: 0.7060176125067155
Energy: 0.7344263604598672
Energy: 0.7137707143428188
Energy: 0.7312302405854091
Energy: 0.7360117948990567
Energy: 0.7237587173735062
Energy: 0.7115227325314545
Energy: 0.7534872950218846
Energy: 0.6839013709880063
Energy: 0.749169729050243
Energy: 0.7571124199637864
Energy: 0.6834759789708982
Energy: 0.6264780137253242
Energy: 0.7310624327216729
Energy: 0.7764784101829325
Energy: 0.6685733151246797
Energy: 0.7311780181772415
Energy: 0.6603325221622165

minimum gb energy = 0.6216148931439225 eV
minimum distance =  2.59020460659057 Angstroms
sigma value = 17


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

Energy: 0.6212235302839232
Energy: 0.7835356631678859
Energy: 0.7001820399844958
Energy: 0.661175582413219
Energy: 0.7941944574155237
Energy: 0.6952664529375936
Energy: 0.8032930015062646
Energy: 0.6267108155013037
Energy: 0.6283366483619947
Energy: 0.7159846846463854
Energy: 0.7353488348816412
Energy: 0.6819077759394606
Energy: 0.8825879687347633
Energy: 0.6083437744894982
Energy: 0.6658491153317405
Energy: 0.7493837492350116
Energy: 0.6124440617836251
Energy: 0.6713070234936843
Energy: 0.7452036141003929
Energy: 0.6774610241118366
Energy: 0.6493537246213456
Energy: 0.6903135508315691
Energy: 0.6120233106636915
Energy: 0.6989979912101398
Energy: 0.6484732157584722
Energy: 0.6269635691191952
Energy: 0.6273312440550473
Energy: 0.6492527996166076
Energy: 0.6377418092024563
Energy: 0.6271740336006207
Energy: 0.6237910255766904
Energy: 0.624937167268847
Energy: 0.6062841392604276
Energy: 0.6023140008137715
Energy: 0.6388266486704507
Energy: 0.6025847287122476
Energy: 0.5957387739000863
Energy: 0.6383513492265964
Energy: 0.639644166607673
Energy: 0.580294177722776
Energy: 0.6422105648824609
Energy: 0.5857761568425287
Energy: 0.6243144712723321
Energy: 0.5782323639118027
Energy: 0.5879208623140918
Energy: 0.5842060926243958
Energy: 0.576970750995755
Energy: 0.5875990026462248
Energy: 0.5980195412245769
Energy: 0.5860442197074216
Energy: 0.5889352521935388
Energy: 0.5988666575572797
Energy: 0.5861476636355453
Energy: 0.5954933988919928
Energy: 0.5956313169027012
Energy: 0.5767479649205294
Energy: 0.5771433853631853
Energy: 0.5956930062397415
Energy: 0.5766936017997604
Energy: 0.577150083504897
Energy: 0.6188377681556095
Energy: 0.582574218359331
Energy: 0.5765758982030205
Energy: 0.5771406614195466
Energy: 0.5970643642464865
Energy: 0.5767573928598523
Energy: 0.5847804240242593
Energy: 0.596667890381427
Energy: 0.5969931402834887
Energy: 0.6293350589906428
Energy: 0.6024190862390096
Energy: 0.5971608173837324
Energy: 0.5872265831122623
Energy: 0.5857799935637525
Energy: 0.5893548442951558
Energy: 0.5860354134403921
Energy: 0.6006580287320245
Energy: 0.5890490689441982
Energy: 0.6440861516315735
Energy: 0.5893482856199387
Energy: 0.5861570574275572
Energy: 0.6456723193203318
Energy: 0.5894051724787369
Energy: 0.6440824631434243
Energy: 0.6443057822571331
Energy: 0.5895351053399192
Energy: 0.5913313322526144
Energy: 0.6441656291166125
Energy: 0.5879899309797249
Energy: 0.6221184374569799
Energy: 0.7412715247773521
Energy: 0.5969511812010625
Energy: 0.6244410703802783
Energy: 0.6474160636314304
Energy: 0.6064970473847331
Energy: 0.622670521191418
Energy: 0.5965666999154111
Energy: 0.7565668312368111
Energy: 0.7261408499942527
Energy: 0.5937226849388619
Energy: 0.7633663117676465
Energy: 0.6430909470954548
Energy: 0.5966368407289667
Energy: 0.7602600251543217
Energy: 0.7602318192154047
Energy: 0.6134141421925731
Energy: 0.7594230821259048
Energy: 0.647820934246153
Energy: 0.7925029583766678
Energy: 0.7176124244175516
Energy: 0.6472695783789701
Energy: 0.6676761585930604
Energy: 0.6541509131355804
Energy: 0.6456983120261838
Energy: 0.8330714168754357
Energy: 0.6512665826378076
Energy: 0.6527858349304899
Energy: 0.6679745107380827
Energy: 0.6425057370047341
Energy: 0.7285991114315982
Energy: 0.6771250461313225
Energy: 0.7252331314616589
Energy: 0.6642062448998343
Energy: 0.6687746003774393
Energy: 0.723454210213127
Energy: 0.6471148345409603
Energy: 0.5997353680876844
Energy: 0.7547143077830663
Energy: 0.7528228284512621
Energy: 0.6667719908248143
Energy: 0.7759997141218338
Energy: 0.6575164669441933
Energy: 0.602304724572123
Energy: 0.8084042295524856
Energy: 0.6401413600803808
Energy: 0.6006625933370817
Energy: 0.812266552839768
Energy: 0.6517174043765852
Energy: 0.8319138701838169
Energy: 0.6805966342209185
Energy: 0.6318768599869337
Energy: 0.6679846371926095
Energy: 0.6158092727844213
Energy: 0.6376865000056053
Energy: 0.7113614353175398
Energy: 0.6092444335544319
Energy: 0.6662943098574622
Energy: 0.6801216803764994
Energy: 0.6102365341147649
Energy: 0.6670298653719962
Energy: 0.7124898472879551
Energy: 0.6373449175923713
Energy: 0.6487168472282661
Energy: 0.6705757271924228
Energy: 0.6374047272946574
Energy: 0.6330917206760605
Energy: 0.5859561926897754
Energy: 0.6323468124269916
Energy: 0.639820988855853
Energy: 0.6027836083432525
Energy: 0.6422957301451846
Energy: 0.6164488238452294
Energy: 0.5907817669884021
Energy: 0.6356248163361465
Energy: 0.6015457784765584
Energy: 0.5917620072058226
Energy: 0.6542503160970693
Energy: 0.6015947611009975
Energy: 0.6189230278031393
Energy: 0.5889024064127041
Energy: 0.5894246046168048
Energy: 0.5975555283575821
Energy: 0.6015438314178915
Energy: 0.5905797847867459
Energy: 0.5998906737140235
Energy: 0.5766518264301009
Energy: 0.5877741068658277
Energy: 0.5999319423422298
Energy: 0.5761459215350887
Energy: 0.6030167839221472
Energy: 0.6058474340995423
Energy: 0.5782034701789333
Energy: 0.5776915351791886
Energy: 0.6068068159269895
Energy: 0.5783004987153815
Energy: 0.5766489693016588
Energy: 0.6166210032004874
Energy: 0.5783235959669957
Energy: 0.578507443931267
Energy: 0.5866576088138175
Energy: 0.5780421700034313
Energy: 0.5784243781117343
Energy: 0.5967488983158452
Energy: 0.6030259218778001
Energy: 0.5963880143077298
Energy: 0.5846578352692278
Energy: 0.6000378736042934
Energy: 0.5969763930878277
Energy: 0.6288356808904535
Energy: 0.5904830850760802
Energy: 0.5863619902241859
Energy: 0.5868550132297491
Energy: 0.5845680956714153
Energy: 0.5863800769651003
Energy: 0.6468584436250248
Energy: 0.5861377558221869
Energy: 0.5859748003496414
Energy: 0.6474349290650794
Energy: 0.5867200355147737
Energy: 0.5852886428612359
Energy: 0.647278061505952
Energy: 0.5856621958056941
Energy: 0.6192655672232623
Energy: 0.6389054699193887
Energy: 0.5858840938939827
Energy: 0.637532757121073
Energy: 0.8263022111019575
Energy: 0.6217826560133081
Energy: 0.6187102795947305
Energy: 0.6393093131992779
Energy: 0.6351323820502202
Energy: 0.6188291788268112
Energy: 0.6024150581259087
Energy: 0.6378033089225446
Energy: 0.6396262279582166
Energy: 0.6251116982972796
Energy: 0.7451365787554629
Energy: 0.6395964509740837
Energy: 0.5962206894385732
Energy: 0.7084227497348914
Energy: 0.6487696031996687
Energy: 0.6265229061750344
Energy: 0.7100951271959578
Energy: 0.6428716389088419
Energy: 0.6395426535219116
Energy: 0.7114912570491794
Energy: 0.7144938368065782
Energy: 0.6476038440138364
Energy: 0.7209412305853461
Energy: 0.680164881022498
Energy: 0.831063685061426
Energy: 0.6410822110411059
Energy: 0.7278691773672964
Energy: 0.7485418663889116
Energy: 0.6362148812915264
Energy: 0.7311826491745236
Energy: 0.8739509098480233
Energy: 0.6840195043254549
Energy: 0.654389518482392
Energy: 0.744492504125523
Energy: 0.6421287242705879
Energy: 0.6989044042463669
Energy: 0.6210303472585547
Energy: 0.7373127816896812
Energy: 0.7130176285576716
Energy: 0.6189639769797998
Energy: 0.7361850223914252
Energy: 0.7228291390043593

minimum gb energy = 0.5761459215350887 eV
minimum distance =  2.5348867469701 Angstroms
sigma value = 57


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

Energy: 0.6369793495701613
Energy: 0.8529574269428054
Energy: 0.6448973936492786
Energy: 0.5644093319789539
Energy: 0.7819460343312121
Energy: 0.6434605216825375
Energy: 0.6647112860363574
Energy: 0.5853598422409684
Energy: 0.5875253856476337
Energy: 0.6839115619671279
Energy: 0.5815946669952402
Energy: 0.6469939835672208
Energy: 0.8240047286953699
Energy: 0.5583090597840281
Energy: 0.5587712639457918
Energy: 0.7203286059150726
Energy: 0.558243305718727
Energy: 0.6024327361342504
Energy: 0.7071586751288725
Energy: 0.5580488807209956
Energy: 0.6325789936054698
Energy: 0.612362922363086
Energy: 0.557348055925901
Energy: 0.6353955383496824
Energy: 0.609632507577591
Energy: 0.5851569734901482
Energy: 0.5876945616132206
Energy: 0.6104974060749201
Energy: 0.6110371058092332
Energy: 0.582092192033002
Energy: 0.5552685761209548
Energy: 0.5871789074621805
Energy: 0.5576122199985605
Energy: 0.5393716522016969
Energy: 0.6173471007062427
Energy: 0.5588292158927197
Energy: 0.5662779241882361
Energy: 0.6244839570159467
Energy: 0.6185839027065512
Energy: 0.5466325297024126
Energy: 0.6210460397657902
Energy: 0.5468710608258129
Energy: 0.6663791492761846
Energy: 0.5323540247701837
Energy: 0.5382022518485292
Energy: 0.5514645380108066
Energy: 0.5310589369730652
Energy: 0.5525735844474082
Energy: 0.5690973730385952
Energy: 0.5631888550954491
Energy: 0.5613417494764145
Energy: 0.5703984264019585
Energy: 0.5732529681799267
Energy: 0.5656361480876143
Energy: 0.5660505676140322
Energy: 0.5283709008926186
Energy: 0.5278250428214186
Energy: 0.5661198729295922
Energy: 0.5271828032003668
Energy: 0.5275523699537155
Energy: 0.5483952362038756
Energy: 0.5459381764430762
Energy: 0.53716248044644
Energy: 0.5276912211223569
Energy: 0.5424165001335478
Energy: 0.5325315964857885
Energy: 0.5698103456516925
Energy: 0.551236850509427
Energy: 0.5422299060731312
Energy: 0.5475544890876474
Energy: 0.5471225696805156
Energy: 0.5250402340475717
Energy: 0.5431730880929505
Energy: 0.5698330153600358
Energy: 0.5656662998089484
Energy: 0.5245752272260042
Energy: 0.5741597905333353
Energy: 0.5269780457880342
Energy: 0.5437191393515286
Energy: 0.5259552016180431
Energy: 0.5382473244378746
Energy: 0.5452728157807534
Energy: 0.5507546500911485
Energy: 0.5424034713608122
Energy: 0.5426747174869343
Energy: 0.5300638878358723
Energy: 0.5270269527044633
Energy: 0.5433020387267902
Energy: 0.5273259778518047
Energy: 0.5263259571506178
Energy: 0.5784849100533132
Energy: 0.5677270508905651
Energy: 0.5302866217596607
Energy: 0.5291446778209282
Energy: 0.5758355673638869
Energy: 0.5291919826994936
Energy: 0.5443394498774795
Energy: 0.5766566476485441
Energy: 0.5658435811651792
Energy: 0.5331666150581807
Energy: 0.5729553798698904
Energy: 0.5508182320806952
Energy: 0.5455828565325479
Energy: 0.5511663992524806
Energy: 0.5517017670853389
Energy: 0.547377014481798
Energy: 0.5504816073619293
Energy: 0.5508622953793217
Energy: 0.6179207528398295
Energy: 0.5498203450174964
Energy: 0.5471835315055666
Energy: 0.6197345954974708
Energy: 0.5454573750571237
Energy: 0.6171364296924792
Energy: 0.6188209677355813
Energy: 0.553869663624632
Energy: 0.5558862492433602
Energy: 0.6127668039437205
Energy: 0.5516538552800165
Energy: 0.5864306550643503
Energy: 0.7733488152609395
Energy: 0.6107759931091495
Energy: 0.58622329036268
Energy: 0.6111503271548618
Energy: 0.6116662412847164
Energy: 0.5862791960434168
Energy: 0.5434237294283464
Energy: 0.6829872218335005
Energy: 0.606861507621415
Energy: 0.5459099487541598
Energy: 0.6722119301100772
Energy: 0.5801770560576737
Energy: 0.5702541926985805
Energy: 0.6656431442597053
Energy: 0.6501420774413222
Energy: 0.5644920895809762
Energy: 0.6830372146913574
Energy: 0.6499607262795092
Energy: 0.7740311185625476
Energy: 0.6203344564420247
Energy: 0.583721789800852
Energy: 0.6410272450388624
Energy: 0.6085884707338802
Energy: 0.5893468974333317
Energy: 0.8354517096962201
Energy: 0.582044626929931
Energy: 0.591296503015354
Energy: 0.6767754438594322
Energy: 0.5817460014583758
Energy: 0.6615258049082481
Energy: 0.8260547123400396
Energy: 0.6447470289065164
Energy: 0.6451527892151586
Energy: 0.6814943563106438
Energy: 0.6825397239922125
Energy: 0.6185646039362986
Energy: 0.5483045452958017
Energy: 0.6648170417898347
Energy: 0.6360211512389482
Energy: 0.5610753439335743
Energy: 0.6621759211441042
Energy: 0.6133453553132157

minimum gb energy = 0.5245752272260042 eV
minimum distance =  2.59624632738807 Angstroms
sigma value = 43


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

Energy: 0.4742836004080737
Energy: 0.62423879728534
Energy: 0.5678280814029211
Energy: 0.4796900225404192
Energy: 0.6407080767642279
Energy: 0.5362408005846787
Energy: 0.6671691178566707
Energy: 0.49336250565804296
Energy: 0.4922957720959867
Energy: 0.5428783340507265
Energy: 0.49376620223228795
Energy: 0.48717712390870943
Energy: 0.7127263420359649
Energy: 0.4660863540259812
Energy: 0.48572593034389616
Energy: 0.522242453155822
Energy: 0.4640624120221953
Energy: 0.48647366445711654
Energy: 0.6253120051773011
Energy: 0.48340260031740034
Energy: 0.48512538249190007
Energy: 0.5382939800055417
Energy: 0.4628947900460403
Energy: 0.5551736530896332
Energy: 0.49265348807945514
Energy: 0.49986796474125883
Energy: 0.49231836359239584
Energy: 0.4766189910459173
Energy: 0.5257904987905566
Energy: 0.4929624625597082
Energy: 0.45842048830157045
Energy: 0.49237356167429347
Energy: 0.4761187784298359
Energy: 0.4487212509492153
Energy: 0.5552243402798984
Energy: 0.46148827234699574
Energy: 0.6557085081290756
Energy: 0.555166237470875
Energy: 0.52989828293837
Energy: 0.4664058522369858
Energy: 0.5589507575505949
Energy: 0.46332093515160466
Energy: 0.6502473359341141
Energy: 0.44628621425754045
Energy: 0.4557150184967918
Energy: 0.4650030436746672
Energy: 0.44638920694100453
Energy: 0.45539925174657536
Energy: 0.5110722210108901
Energy: 0.45488839039593887
Energy: 0.464636173176703
Energy: 0.5125601151046777
Energy: 0.46001386507296443
Energy: 0.5091757301181846
Energy: 0.49674972092227804
Energy: 0.4478261358103477
Energy: 0.44764309440119016
Energy: 0.4980039161098063
Energy: 0.4477030701610305
Energy: 0.4471247670309714
Energy: 0.45421876371454706
Energy: 0.48165764900338337
Energy: 0.44639381388901433
Energy: 0.4694527143831924
Energy: 0.48140872746174657
Energy: 0.44073023127276306
Energy: 0.5134159966852638
Energy: 0.48115122373405916
Energy: 0.48159490534782573
Energy: 0.4411982443922716
Energy: 0.48131209067468295
Energy: 0.44094903627574017
Energy: 0.5139406859809861
Energy: 0.4699219887524842
Energy: 0.47619954337343584
Energy: 0.47449753423357816
Energy: 0.4687676985836442
Energy: 0.4771023042722466
Energy: 0.4642292408077615
Energy: 0.43799517222635637
Energy: 0.4641823781562493
Energy: 0.4656661982205909
Energy: 0.4599452628320178
Energy: 0.4642870084551642
Energy: 0.46485040550017015
Energy: 0.43450517822976364
Energy: 0.43348664818541144
Energy: 0.46475839123567847
Energy: 0.43440581808999995
Energy: 0.4384915782060062
Energy: 0.45919370101324003
Energy: 0.45692550466979287
Energy: 0.46577730316582994
Energy: 0.4520666855858923
Energy: 0.456380615556957
Energy: 0.43298911381103894
Energy: 0.4670168181291284
Energy: 0.456476114175318
Energy: 0.46088385435515683
Energy: 0.45292252519184484
Energy: 0.45628367870874453
Energy: 0.4352090005731
Energy: 0.4567293324887563
Energy: 0.4666152234193699
Energy: 0.4349571038799783
Energy: 0.46690302105380194
Energy: 0.4644346165807614
Energy: 0.4350031565954429
Energy: 0.4566669720406144
Energy: 0.45338527040651116
Energy: 0.4567777439346665
Energy: 0.45737079719344986
Energy: 0.5026641358660664
Energy: 0.4565493061933938
Energy: 0.45658009175130365
Energy: 0.4660963078033247
Energy: 0.4725076774606644
Energy: 0.4716068343745278
Energy: 0.46597637504588824
Energy: 0.4386524826058755
Energy: 0.48361198162153846
Energy: 0.464453617734734
Energy: 0.4727558704912758
Energy: 0.4660147191809137
Energy: 0.464349972836934
Energy: 0.4394359453870679
Energy: 0.4602479284293499
Energy: 0.46462790361073397
Energy: 0.43708974477558027
Energy: 0.43740603866087413
Energy: 0.4643519294272177
Energy: 0.4364166618490784
Energy: 0.4988834750504522
Energy: 0.4386190649166208
Energy: 0.4381362826067819
Energy: 0.4816074292609555
Energy: 0.4387216643571871
Energy: 0.43771167770883246
Energy: 0.4809292032324285
Energy: 0.43985760275733726
Energy: 0.4809571828951627
Energy: 0.48235955422013793
Energy: 0.45816538654218175
Energy: 0.48114159450304234
Energy: 0.6324591616527668
Energy: 0.45895959568551137
Energy: 0.46729232976287904
Energy: 0.4447396767564315
Energy: 0.4591553879814231
Energy: 0.4906892984835757
Energy: 0.5860959960610207
Energy: 0.5094084302289442
Energy: 0.5117509125821569
Energy: 0.4467508438297826
Energy: 0.5094591074502192
Energy: 0.44577160757521117
Energy: 0.4565349765115468
Energy: 0.5097645457323371
Energy: 0.46245969951793364
Energy: 0.46108269537556207
Energy: 0.5094121911534296
Energy: 0.4504409529898435
Energy: 0.4818393158884488
Energy: 0.4669198389378574
Energy: 0.4639353750906101
Energy: 0.48173612811139643
Energy: 0.493868857808715
Energy: 0.4638694303503907
Energy: 0.5568639352102989
Energy: 0.4690066859359132
Energy: 0.5336610862213711
Energy: 0.5584157596148445
Energy: 0.45068870821177104
Energy: 0.5558624189328992
Energy: 0.6762883542143913
Energy: 0.4557881677320519
Energy: 0.4705230316373169
Energy: 0.49932610387165893
Energy: 0.45594960511353455
Energy: 0.47127431234384215
Energy: 0.6747421616815237
Energy: 0.5339217642932121
Energy: 0.49927674773048825
Energy: 0.4942092884437623
Energy: 0.5367760547840715
Energy: 0.4923150954763555
Energy: 0.4654182485534965
Energy: 0.5457054202761608
Energy: 0.5037938638522296
Energy: 0.4602433986578467
Energy: 0.5838714395603333
Energy: 0.4748825525965215
Energy: 0.5106931298188613
Energy: 0.5277846772863042
Energy: 0.5276379146284739
Energy: 0.506655036025945
Energy: 0.5325168340574746
Energy: 0.5422252656441205
Energy: 0.67588296603467
Energy: 0.5041900063896341
Energy: 0.5049712304204298
Energy: 0.5384396144994398
Energy: 0.5189706623332634
Energy: 0.573171278455027
Energy: 0.7143982088422821
Energy: 0.4826452309330916
Energy: 0.5410124828593436
Energy: 0.5355673196331697
Energy: 0.48178206373547283
Energy: 0.5410855092980962
Energy: 0.6671151766601161
Energy: 0.5357518636631606
Energy: 0.5318774735373114
Energy: 0.501781436925297
Energy: 0.5322098328068344
Energy: 0.48931571731090845

minimum gb energy = 0.43298911381103894 eV
minimum distance =  2.61273042899163 Angstroms
sigma value = 81


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

Energy: 0.023595993661678145
Energy: 0.024218342292636717
Energy: 0.023793328974546512
Energy: 0.025444608527939234
Energy: 0.024403942949232014
Energy: 0.023795641456708563
Energy: 0.05694479024462904
Energy: 0.0242142960478103
Energy: 0.024206495319102656
Energy: 0.057329486772614964
Energy: 0.026647239966610933
Energy: 0.024249721000831392
Energy: 0.05595170763244168
Energy: 0.02396530130358672
Energy: 0.023877657209830778
Energy: 0.056036070728161316
Energy: 0.02387523629137859
Energy: 0.05654976006163269
Energy: 0.027331491328767554
Energy: 0.023996341754992483
Energy: 0.02403538447766191
Energy: 0.023887950062239177
Energy: 0.024007039465664518
Energy: 0.05680920641939567
Energy: 0.05643338366685268
Energy: 0.05594324871655579
Energy: 0.05603247682369227
Energy: 0.05732830715296556
Energy: 0.055869872939539246
Energy: 0.05583489050213988
Energy: 0.024648185309474473
Energy: 0.02413623828299435
Energy: 0.02392524707586211
Energy: 0.025737481161382015
Energy: 0.024555632538976
Energy: 0.023887787104508132
Energy: 0.05667063074883115
Energy: 0.02406535826238457
Energy: 0.024301749968574385
Energy: 0.056028584444461446
Energy: 0.023940532594685256
Energy: 0.024112236537509688
Energy: 0.05595935505937828
Energy: 0.023843335188886237
Energy: 0.02398588572639665
Energy: 0.05597767872148707
Energy: 0.023732576506252975
Energy: 0.05914656028159643
Energy: 0.02498302704775794
Energy: 0.02387203895526043
Energy: 0.0587317895475639
Energy: 0.02569729027063391
Energy: 0.023832616309866533
Energy: 0.05812578120162334
Energy: 0.02384547712473707
Energy: 0.05609938945750721
Energy: 0.05613047497457608
Energy: 0.02446321147864164
Energy: 0.055907324251953175
Energy: 0.05619688273368429

minimum gb energy = 0.023595993661678145 eV
minimum distance =  2.7253402743679 Angstroms
sigma value = 3


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

Energy: 0.5336764810029361
Energy: 0.5286852249593684
Energy: 0.5386711216297558
Energy: 0.4421172218335885
Energy: 0.5289308946678554
Energy: 0.49879815760092866
Energy: 0.5271527102921161
Energy: 0.5403932549687098
Energy: 0.5388825356768764
Energy: 0.5317094329954557
Energy: 0.5319542667757726
Energy: 0.5396446220164873
Energy: 0.5427852831182052
Energy: 0.4928447250244096
Energy: 0.4933837644830416
Energy: 0.5301834197158958
Energy: 0.4961853029579335
Energy: 0.5257861049761069
Energy: 0.5171372445770603
Energy: 0.4934491702611194
Energy: 0.4927950178633251
Energy: 0.512280199449932
Energy: 0.4679301834642779
Energy: 0.530032824915148
Energy: 0.4685123156908985
Energy: 0.5406708844503814
Energy: 0.5384929577346595
Energy: 0.4687563449366376
Energy: 0.5312597890329146
Energy: 0.5389403094686146
Energy: 0.5176961379523585
Energy: 0.5387417545638624
Energy: 0.5099328634271768
Energy: 0.43262864512377364
Energy: 0.538275523876562
Energy: 0.4586693359780649
Energy: 0.5155709483021514
Energy: 0.4773488536357507
Energy: 0.5278050642925289
Energy: 0.5148065560884035
Energy: 0.4823659325344646
Energy: 0.5156744212674594
Energy: 0.5115374544284612
Energy: 0.44180989342437216
Energy: 0.47047144269052255
Energy: 0.5115527040519072
Energy: 0.41305755732444505
Energy: 0.47098966799887393
Energy: 0.4414503147805795
Energy: 0.46980730430831913
Energy: 0.5269752910505072
Energy: 0.5297339229148874
Energy: 0.4393306154603602
Energy: 0.5274842269449668
Energy: 0.44868421242217316
Energy: 0.4774793935006959
Energy: 0.4790486316090791
Energy: 0.44828139142728823
Energy: 0.48286521796003057
Energy: 0.4806562922573373
Energy: 0.5202743971989582
Energy: 0.48240060634551557
Energy: 0.47903649825036626
Energy: 0.4227861925783162
Energy: 0.4228367846008977
Energy: 0.4888449769772615
Energy: 0.4457365485300897
Energy: 0.48215483973692375
Energy: 0.5191621410347753
Energy: 0.4456312232744062
Energy: 0.4430211421803744
Energy: 0.44531936444020154
Energy: 0.4475307862521715
Energy: 0.40963104699067343
Energy: 0.4953314441643578
Energy: 0.44765996014891263
Energy: 0.4073056808487448
Energy: 0.4483537490784733
Energy: 0.4157292993362974
Energy: 0.4695142642155501
Energy: 0.4469131484368521
Energy: 0.4495680768522185
Energy: 0.42457830531803736
Energy: 0.4967731936557366
Energy: 0.5139552036972996
Energy: 0.42326190287859305
Energy: 0.42286827785473163
Energy: 0.5129862312345138
Energy: 0.4288354690250923
Energy: 0.423591137190711
Energy: 0.5127388056944839
Energy: 0.46162924284527085
Energy: 0.48432183290197983
Energy: 0.4170947243110213
Energy: 0.5076773234890194
Energy: 0.48468344098815025
Energy: 0.41143533739487564
Energy: 0.4256009813258841
Energy: 0.4824115050535453
Energy: 0.41141392664782717
Energy: 0.4267693498790587
Energy: 0.4111389184425037
Energy: 0.4124790257898904
Energy: 0.41532855368846916
Energy: 0.47964011029366377
Energy: 0.41263285077771156
Energy: 0.4129103975951886
Energy: 0.47944920675019026
Energy: 0.5160234579506306
Energy: 0.4521314660043871
Energy: 0.47370093126780743
Energy: 0.41502566714493694
Energy: 0.41222591289934346
Energy: 0.4784899766838443
Energy: 0.5095007473383432
Energy: 0.41114501030925604
Energy: 0.41098877855948135
Energy: 0.5095690037470738
Energy: 0.41795667986981694
Energy: 0.41171602641164246
Energy: 0.5094932154697248
Energy: 0.4818888154280982
Energy: 0.4850812531596068
Energy: 0.42458217218376637
Energy: 0.48299916483801447
Energy: 0.4837097806381215
Energy: 0.4276793471070102
Energy: 0.48841789776436195
Energy: 0.4547920613372925
Energy: 0.42419491159625383
Energy: 0.4826030488914383
Energy: 0.42330015626613415
Energy: 0.4234549721168884
Energy: 0.44970793260972725
Energy: 0.4495286188015945
Energy: 0.4234344801488022
Energy: 0.4501530277569799
Energy: 0.44863520286082564
Energy: 0.5166164310164273
Energy: 0.44742740234383105
Energy: 0.44722130684802214
Energy: 0.41310521101794784
Energy: 0.446888982185142
Energy: 0.48442694607482056
Energy: 0.4256051891154288
Energy: 0.44560226252756374
Energy: 0.4452436606372579
Energy: 0.42566018487623847
Energy: 0.452372857335052
Energy: 0.4464700719367521
Energy: 0.5321620618906123
Energy: 0.43302023410979257
Energy: 0.4593143944711253
Energy: 0.423527068797898
Energy: 0.4094001984204181
Energy: 0.48118809266336954
Energy: 0.48189441604856825
Energy: 0.45978510582526416
Energy: 0.4582371279891737
Energy: 0.4800449923233425
Energy: 0.42827964256587797
Energy: 0.4816886113139149
Energy: 0.4557719779181177
Energy: 0.4702582638035147
Energy: 0.4709692568734603
Energy: 0.4557925866280542
Energy: 0.47016816626734953
Energy: 0.4701212625824454
Energy: 0.5238068289069802
Energy: 0.5204685742886023
Energy: 0.49258336473797987
Energy: 0.4283249195098546
Energy: 0.5130478338924864
Energy: 0.45216292452054885
Energy: 0.47964846083034335
Energy: 0.5282639361560657
Energy: 0.5250281714025642
Energy: 0.47992603545800283
Energy: 0.5240647887532129
Energy: 0.5140650745058668
Energy: 0.5211023941441462
Energy: 0.4506222578471452
Energy: 0.4813452135476765
Energy: 0.5211909191245633
Energy: 0.41647381296899355
Energy: 0.4810099344194375
Energy: 0.5455129599296423
Energy: 0.4811321974754562
Energy: 0.5401250732201122
Energy: 0.52911647904612
Energy: 0.44973840139148363
Energy: 0.5710277730722335
Energy: 0.4790278019112974
Energy: 0.5110705729991363
Energy: 0.5187124019906159
Energy: 0.4791914505130482
Energy: 0.5180451644657212
Energy: 0.5072050313321506

minimum gb energy = 0.4073056808487448 eV
minimum distance =  2.53707190581534 Angstroms
sigma value = 67


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

Energy: 0.6504212092411316
Energy: 0.6255112221075622
Energy: 0.6466957015662712
Energy: 0.5411818904473507
Energy: 0.7307814196059563
Energy: 0.6452810162442703
Energy: 0.6223486145436342
Energy: 0.6517169857987727
Energy: 0.650056169638553
Energy: 0.6430752250155417
Energy: 0.6437354451585104
Energy: 0.6463302841333953
Energy: 0.6575347360750232
Energy: 0.562271749201469
Energy: 0.6192085115547984
Energy: 0.6402210425336979
Energy: 0.5584534940551739
Energy: 0.6357211297052985
Energy: 0.6105275409759623
Energy: 0.6124004837120433
Energy: 0.6277584177614584
Energy: 0.6115840537029213
Energy: 0.6190431418786402
Energy: 0.6285129406068127
Energy: 0.6037314139113081
Energy: 0.5904715904423894
Energy: 0.6514947254316655
Energy: 0.6041123607818448
Energy: 0.6709988157389342
Energy: 0.6479150988858495
Energy: 0.6263893047389862
Energy: 0.641488168748677
Energy: 0.6046878311403858
Energy: 0.5622528440162383
Energy: 0.6414934184867511
Energy: 0.6090984503176069
Energy: 0.6176004899610517
Energy: 0.6260761920232558
Energy: 0.6259789198720686
Energy: 0.607572111632878
Energy: 0.5656189666277909
Energy: 0.6214086220331642
Energy: 0.6129511369868856
Energy: 0.5395215708578144
Energy: 0.5333582535680974
Energy: 0.6065286113599776
Energy: 0.5358459313072703
Energy: 0.6143990840372316
Energy: 0.6440962830871307
Energy: 0.6132140820993395
Energy: 0.567436343044078
Energy: 0.6213299921205441
Energy: 0.563225139831067
Energy: 0.6394785371322849
Energy: 0.5950882120551133
Energy: 0.5689979747318662
Energy: 0.5654219919496765
Energy: 0.6509996922354342
Energy: 0.5665383489312094
Energy: 0.5634626096282657
Energy: 0.6417839735357336
Energy: 0.5663349303626929
Energy: 0.5692066049868116
Energy: 0.5389990911620312
Energy: 0.6310003633252004
Energy: 0.5871980413771664
Energy: 0.5431414395561499
Energy: 0.570223649771044
Energy: 0.5651216222946653
Energy: 0.5442799278458559
Energy: 0.5668084533085375
Energy: 0.5378058128053455
Energy: 0.5454001950755463
Energy: 0.5444217332658545
Energy: 0.5367395127992367
Energy: 0.537705639823099
Energy: 0.5397365631321489
Energy: 0.5381416160232096
Energy: 0.6295937139378402
Energy: 0.5392269224674232
Energy: 0.6030121839692263
Energy: 0.5385817707868352
Energy: 0.5872139042413463
Energy: 0.5368652531290542
Energy: 0.6292859348188733
Energy: 0.5417775446170073
Energy: 0.5383948001161953
Energy: 0.6296950351393331
Energy: 0.5385148408120711
Energy: 0.5383772873556874
Energy: 0.6299094193262652
Energy: 0.5365348517502511
Energy: 0.613925911758085
Energy: 0.5658827393149813
Energy: 0.5930666480206306
Energy: 0.6100124373683652
Energy: 0.5688878503866566
Energy: 0.5344482198120265
Energy: 0.528934364107248
Energy: 0.5695659705002385
Energy: 0.5304217688100769
Energy: 0.5639287039195116
Energy: 0.5637681645048211
Energy: 0.5671891530779447
Energy: 0.6404659917451391
Energy: 0.5637689829041527
Energy: 0.569182593603334
Energy: 0.5643803152141073
Energy: 0.624435203608095
Energy: 0.6432015256334782
Energy: 0.5857946247157408
Energy: 0.5451750621085614
Energy: 0.6435875544309084
Energy: 0.589386346211492
Energy: 0.5611208290953911
Energy: 0.6232773557855209
Energy: 0.6243191083044582
Energy: 0.5665755386148854
Energy: 0.6112607144317014
Energy: 0.6404627101013494
Energy: 0.6186889733301314
Energy: 0.5887013218807237
Energy: 0.6375646039951018
Energy: 0.620534268499051
Energy: 0.5483020499936279
Energy: 0.6492050737927196
Energy: 0.656950117651688
Energy: 0.5453451634061385
Energy: 0.5793182238969745
Energy: 0.640063459461137
Energy: 0.5416607942012172
Energy: 0.6468241643325853
Energy: 0.6222183502824353
Energy: 0.6221878414604524
Energy: 0.6230004061005153
Energy: 0.6272790395273521
Energy: 0.6141299969324838
Energy: 0.619310058606039

minimum gb energy = 0.528934364107248 eV
minimum distance =  2.53095157404368 Angstroms
sigma value = 33


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

Energy: 0.7553517248667251
Energy: 0.6904900209880892
Energy: 0.7613925841297652
Energy: 0.6475339480539984
Energy: 0.6920699268980175
Energy: 0.7287568043637619
Energy: 0.7545678674334239
Energy: 0.6888128310109728
Energy: 0.6379766909688388
Energy: 0.6781144067347767
Energy: 0.6862397358677884
Energy: 0.6853324683100454
Energy: 0.7555235338178986
Energy: 0.6803505593426993
Energy: 0.6794657726064527
Energy: 0.7341474083993886
Energy: 0.678248465159813
Energy: 0.7032963844645941
Energy: 0.6806280940493762
Energy: 0.6809235631204223
Energy: 0.6975675471900257
Energy: 0.6814086035533456
Energy: 0.706674960846003
Energy: 0.7123338889961945
Energy: 0.6799252834189139
Energy: 0.6890916153522025
Energy: 0.6877354132396333
Energy: 0.6801845696522977
Energy: 0.7420880624145872
Energy: 0.6707388589276584
Energy: 0.7216532658076221
Energy: 0.6300765300274498
Energy: 0.6957210987881124
Energy: 0.628411199255851
Energy: 0.6295533137592817
Energy: 0.6236652902533191
Energy: 0.6793934794056289
Energy: 0.6884032625623799
Energy: 0.689273461354396
Energy: 0.6797538927903829
Energy: 0.6873298573333892
Energy: 0.6852264522058996
Energy: 0.6815164461269176
Energy: 0.6274601145246032
Energy: 0.6291865444153457
Energy: 0.6813126234630913
Energy: 0.6328880430764554
Energy: 0.668954132377721
Energy: 0.7165112926912918
Energy: 0.6311896470788716
Energy: 0.6313036909393643
Energy: 0.6863458248959454
Energy: 0.6304764030213503
Energy: 0.7032104950059265
Energy: 0.717626493977803
Energy: 0.63022954349202
Energy: 0.6290527779497527
Energy: 0.7180039090416538
Energy: 0.6302591888268346
Energy: 0.6278525492500365
Energy: 0.674592616607054
Energy: 0.6291471623415045
Energy: 0.6319836439008703
Energy: 0.6316031620146833
Energy: 0.6746607181410155
Energy: 0.6297438189690753
Energy: 0.6286189451288289
Energy: 0.628020831337499
Energy: 0.6313016797208348
Energy: 0.6285807424431932
Energy: 0.645232683588134
Energy: 0.6287290844084885
Energy: 0.629299731897932
Energy: 0.6862476576564702
Energy: 0.6588575524211433
Energy: 0.6296675055140867
Energy: 0.6347118868180419
Energy: 0.6285344918637367
Energy: 0.6121743414487817
Energy: 0.6860203717107696
Energy: 0.6347744225283583
Energy: 0.6150352796585564
Energy: 0.6744791439477477
Energy: 0.6111495469346389
Energy: 0.6118741603460919
Energy: 0.6857090114032746
Energy: 0.6874003275364422
Energy: 0.6134824580701136
Energy: 0.6824218171522171
Energy: 0.6601467329296171
Energy: 0.6827267784617232
Energy: 0.6391427450811443
Energy: 0.6392193223060902
Energy: 0.683576082769974
Energy: 0.6391368643180079
Energy: 0.6892450848172558
Energy: 0.7567427386513068
Energy: 0.6392122207377188
Energy: 0.6388361720200089
Energy: 0.7355245309163446
Energy: 0.6437979082924649
Energy: 0.6804047544783853
Energy: 0.7542400023902877
Energy: 0.6856758201967265
Energy: 0.6863852460147649
Energy: 0.6830059687030954
Energy: 0.6822080232318087
Energy: 0.733321614392077
Energy: 0.7150030110386413
Energy: 0.7352682472237357
Energy: 0.7356281837983729
Energy: 0.6404131316621285
Energy: 0.7354193662269993
Energy: 0.633644066178484
Energy: 0.7077447444039706
Energy: 0.6878308708188253
Energy: 0.6876639610412
Energy: 0.7147812794258099
Energy: 0.6843176463896248
Energy: 0.6879582892699267
Energy: 0.7592732675190392
Energy: 0.6537814410940523
Energy: 0.7151988832062993
Energy: 0.7341273913312641
Energy: 0.6915460033223193
Energy: 0.655491449855251
Energy: 0.6805279001697692
Energy: 0.6804213791718761
Energy: 0.679520297134782
Energy: 0.6798905435362362
Energy: 0.6784273596085257
Energy: 0.7083042758437259
Energy: 0.6802453019685659
Energy: 0.6896938742309159
Energy: 0.6882636639349097
Energy: 0.6804531867815906
Energy: 0.6850740918775543
Energy: 0.6848497057321288
Energy: 0.7202864252560891
Energy: 0.6300424671594264
Energy: 0.7219045491721741
Energy: 0.623406050910891
Energy: 0.6285272698778187
Energy: 0.6240085847049538
Energy: 0.6792715149810479
Energy: 0.6877891343686825
Energy: 0.6888872361454367
Energy: 0.6799028515995447
Energy: 0.6872114869928873
Energy: 0.6842857161831529
Energy: 0.6804038280561443
Energy: 0.6278882798800092
Energy: 0.6293038331152644
Energy: 0.6803819833571898
Energy: 0.6321599571582572
Energy: 0.6687580579959994
Energy: 0.7158909704779792
Energy: 0.6279138226141144
Energy: 0.6295713124547944
Energy: 0.6362951080635718
Energy: 0.6446196392186285
Energy: 0.7032769213241834
Energy: 0.7169633606377502
Energy: 0.6302275675329303
Energy: 0.6289233839392263
Energy: 0.6366904517107116
Energy: 0.6308482016437786
Energy: 0.6283438327958972
Energy: 0.6743339100833708
Energy: 0.634550947066268
Energy: 0.6318770742841628
Energy: 0.6327281680685266
Energy: 0.6292719934734629
Energy: 0.6292615994729281
Energy: 0.6287734470818249
Energy: 0.6282774894472514
Energy: 0.6286121030211623
Energy: 0.6288686140463073
Energy: 0.6396062907721107
Energy: 0.6287485454585532
Energy: 0.6325086371998337
Energy: 0.6873472029501155
Energy: 0.6298346238626329
Energy: 0.6295444071361409
Energy: 0.6371616905323368
Energy: 0.6288144864144609
Energy: 0.6116061272757862
Energy: 0.6861650196190671
Energy: 0.6347710305940247
Energy: 0.614364754827318
Energy: 0.719808928054535
Energy: 0.610858449278937
Energy: 0.610456169321466
Energy: 0.6863345959883593
Energy: 0.6881622417690966
Energy: 0.6129740296192758
Energy: 0.6825621159907995
Energy: 0.6599743419917213
Energy: 0.6365292940739705
Energy: 0.652541144425479
Energy: 0.6900734572153076
Energy: 0.6834847091658798
Energy: 0.6397486894922149
Energy: 0.6889737660856688
Energy: 0.8065200937298405
Energy: 0.6382145996821856
Energy: 0.6387954921673086
Energy: 0.7370772913416792
Energy: 0.6130408453003047
Energy: 0.678493952825809
Energy: 0.7572140542849536
Energy: 0.6868677375112121
Energy: 0.7334860314574371
Energy: 0.6840866267054238
Energy: 0.6847887109065465
Energy: 0.7323242843736606
Energy: 0.7201040681150478
Energy: 0.7361698721503978
Energy: 0.7436242681179152
Energy: 0.6384354170629651
Energy: 0.7363130897000303
Energy: 0.6335893865344353

minimum gb energy = 0.610456169321466 eV
minimum distance =  2.5367755566177 Angstroms
sigma value = 41


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

Energy: 1.0482646210926032
Energy: 0.8314419667122884
Energy: 0.7445113015278029
Energy: 0.746756366045943
Energy: 0.8118024076051268
Energy: 0.7443433427877371
Energy: 0.8816953548217455
Energy: 0.7623648109826688
Energy: 0.7479815292969293
Energy: 0.7818264171979488
Energy: 0.7613684113047582
Energy: 0.7466602026739717
Energy: 0.8802311076964936
Energy: 0.7460611514859924
Energy: 0.7444396110279536
Energy: 0.7700339935825341
Energy: 0.7493111208688046
Energy: 0.7439054741248282
Energy: 0.7863724607657986
Energy: 0.7459639658701519
Energy: 0.7444458556091621
Energy: 0.7860339528614696
Energy: 0.7492391754897475
Energy: 0.7472230576695489
Energy: 0.7699779900182815
Energy: 0.7484525229698037
Energy: 0.7477257674715082
Energy: 0.7705343694239685
Energy: 0.7611460712655279
Energy: 0.7478134472293699
Energy: 0.7885574093200892
Energy: 0.7482103104150405
Energy: 0.7471332004557301
Energy: 0.7479846597449908
Energy: 0.7482089359536707
Energy: 0.7467846457653006
Energy: 0.7687048661311993
Energy: 0.7676266090707654
Energy: 0.7469576469735973
Energy: 0.7680697967838539
Energy: 0.7627849346870681
Energy: 0.7486631642845947
Energy: 0.7739344738029975
Energy: 0.748972198958246
Energy: 0.7467936665806325
Energy: 0.7750383638619649
Energy: 0.7487261298909089
Energy: 0.7480351183693583
Energy: 0.8233567155092337
Energy: 0.748949788357163
Energy: 0.7469076343424409
Energy: 0.7317203517438217
Energy: 0.7619607400320723
Energy: 0.747285855359004
Energy: 0.7910637607443077
Energy: 0.753299558413442
Energy: 0.747651179257506
Energy: 0.7542255636308066
Energy: 0.7696283595936786
Energy: 0.7460803293970713
Energy: 0.7823908398382581
Energy: 0.7620968732353035
Energy: 0.7500856284687554
Energy: 0.7491583651468658
Energy: 0.7309216217406173
Energy: 0.7497778721150994
Energy: 0.9017176985335624
Energy: 0.7303918939635368
Energy: 0.7307431367452952
Energy: 0.9021364105188903
Energy: 0.7305558116178941
Energy: 0.7314545751967697
Energy: 0.8921381406300658
Energy: 0.7492647410781303
Energy: 0.7607745023061573
Energy: 0.7834928387044822
Energy: 0.7484380249543463
Energy: 0.7616824407031251
Energy: 0.8452959419936079
Energy: 0.7712146507762535
Energy: 0.7309575547840212
Energy: 0.7335267672755844
Energy: 0.7703707117157084
Energy: 0.7311625186748337

minimum gb energy = 0.7303918939635368 eV
minimum distance =  2.53803061919816 Angstroms
sigma value = 11


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

Energy: 0.9029513326443512
Energy: 1.0040390870716072
Energy: 0.8936000976887809
Energy: 0.896460648902357
Energy: 0.9838186355674735
Energy: 0.9390398075889613
Energy: 0.9750403733828836
Energy: 0.8786749587203267
Energy: 0.8737268218758306
Energy: 0.8692435847380264
Energy: 0.8777329818236115
Energy: 0.8731688869450077
Energy: 0.9694004927596358
Energy: 0.8663155442271816
Energy: 0.8657511381454011
Energy: 0.8698760280435794
Energy: 0.8743392568598455
Energy: 0.8680357388566382
Energy: 0.8997496307792907
Energy: 0.866352494641807
Energy: 0.8695015651472188
Energy: 0.8760732649020629
Energy: 0.8667535947120264
Energy: 0.8687187494794599
Energy: 0.8971704873801171
Energy: 0.8797538437275584
Energy: 0.8747547057563836
Energy: 0.8898295754068337
Energy: 0.8783066846459886
Energy: 0.8738626464339035
Energy: 0.8992523916517361
Energy: 0.8740335930544076
Energy: 0.8685114891727584
Energy: 0.8705872684696478
Energy: 0.8988700424920185
Energy: 0.8689665232102172
Energy: 0.8905198959645096
Energy: 0.8686359394088439
Energy: 0.8691528745358635
Energy: 0.8910983566067135
Energy: 0.8604667423385972
Energy: 0.8743807415840457
Energy: 0.8908014337872678
Energy: 0.873464697519832
Energy: 0.8758691978860772
Energy: 0.8772048273247417
Energy: 0.8694517227879697
Energy: 0.8754239325668302
Energy: 0.8677622808823643
Energy: 0.8691578217862398
Energy: 0.8682397777733164
Energy: 0.8610457352135005
Energy: 0.8699368344108002
Energy: 0.8717241983565177
Energy: 0.8687191638697378
Energy: 0.8685824772491743
Energy: 0.868150378609296
Energy: 0.8680651882613598
Energy: 0.8697320538922722
Energy: 0.8716659391236649
Energy: 0.8904142974457799
Energy: 0.8790426229652409
Energy: 0.8733875403893405
Energy: 0.8768666226749556
Energy: 0.8992186046244108
Energy: 0.8749794097561083
Energy: 0.8755363818887794
Energy: 0.8775527050556405
Energy: 0.8696336415447798
Energy: 0.8759802403645428
Energy: 0.8696045742484066
Energy: 0.8696187598680937
Energy: 0.872357721803374
Energy: 0.8679973412941743
Energy: 0.8679819010566747
Energy: 0.8745335055192386
Energy: 0.8688420834574455
Energy: 0.8686149432120214
Energy: 0.88813534486403
Energy: 0.8697639208159605
Energy: 0.8697103854167875
Energy: 0.869494969111874
Energy: 0.8698169570950225
Energy: 0.868267673275211
Energy: 0.8730111145747522
Energy: 0.8696141270517512
Energy: 0.8678913566349971
Energy: 0.8740894847782581
Energy: 0.869172219721484
Energy: 0.867921311789994
Energy: 0.8671358349002382
Energy: 0.870518381874041
Energy: 0.8684687886096759
Energy: 0.8684322730078244
Energy: 0.8682162206680998
Energy: 0.8688147459135973
Energy: 0.8674225221869609
Energy: 0.863413015067608
Energy: 0.871126725368193
Energy: 0.870974956798504
Energy: 0.862526141778539
Energy: 0.8623725923569929
Energy: 0.9115941566261997
Energy: 0.9119393948783505
Energy: 0.9071278230620058
Energy: 0.8840999105542378
Energy: 0.9207282920183292
Energy: 0.8824697641869567
Energy: 0.8828493868730173
Energy: 0.8684661979298811
Energy: 0.8689339336178418
Energy: 0.8848141915581638
Energy: 0.8717472273673814
Energy: 0.8701172185851301
Energy: 0.8954424018899726
Energy: 0.8704002936168383
Energy: 0.8695652572346553
Energy: 0.8778032361164493
Energy: 0.8773385833157158
Energy: 0.8623976895718483
Energy: 0.9446277915531609
Energy: 0.872839347636865
Energy: 0.8626554279440164
Energy: 0.8750858726054476
Energy: 0.8753435086843597
Energy: 0.8684054352424463
Energy: 0.9018309178156688
Energy: 0.8727373476273927
Energy: 0.8691395936340331
Energy: 0.8749304884430057
Energy: 0.8749741917606368
Energy: 0.8676558498400767
Energy: 0.8842035588022249
Energy: 0.874135916186588
Energy: 0.8731346970932322
Energy: 0.8732507361025102
Energy: 0.8785230253948427
Energy: 0.8718839073436457
Energy: 0.9445586038952811
Energy: 0.8647965373172742
Energy: 0.8683637516202586
Energy: 0.8729695814857185
Energy: 0.8846453441688574
Energy: 0.8682132358159412
Energy: 0.9504182034427837
Energy: 0.8679539836358497
Energy: 0.8868697544991172
Energy: 0.922544893519793
Energy: 0.8715842467189645
Energy: 0.8828966612992875
Energy: 0.9236536916624708
Energy: 0.8663491846357074
Energy: 0.8694261478097449
Energy: 0.86229272780542
Energy: 0.8639513085948324
Energy: 0.8683573885545557
Energy: 0.9174167574372785
Energy: 0.8751377735371112
Energy: 0.8692763805525093
Energy: 0.8678586441576582
Energy: 0.8691425795460721
Energy: 0.8680693458579105
Energy: 0.9179598509858061
Energy: 0.8711892703589674
Energy: 0.8685969412139628
Energy: 0.8687070027756312
Energy: 0.870751557752219
Energy: 0.867676186515035
Energy: 0.9267010661829153
Energy: 0.8623613616649711
Energy: 0.8617849118830938
Energy: 0.898940472822116
Energy: 0.8694199043991151
Energy: 0.863606848869871
Energy: 1.0227834527741855
Energy: 0.8710004673052978
Energy: 0.8685451090091223
Energy: 0.8700174513950439
Energy: 0.874549290958345
Energy: 0.8678137646089296
Energy: 0.8942444716184613
Energy: 0.8781975801646185
Energy: 0.8710121798289479
Energy: 0.8694978995523913
Energy: 0.8763232204585358
Energy: 0.8699878376520995

minimum gb energy = 0.8604667423385972 eV
minimum distance =  2.53645078672739 Angstroms
sigma value = 57


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

Energy: 1.2094330969973355
Energy: 0.8856976537712902
Energy: 0.8866289259531042
Energy: 0.8644242031523399
Energy: 0.8849367833983632
Energy: 0.8641036463322171
Energy: 0.9359973337035814
Energy: 0.8858995261676738
Energy: 0.8897494029152578
Energy: 0.8850889697437185
Energy: 0.8869985623920087
Energy: 0.8921971452955749
Energy: 0.8930109080437197
Energy: 0.881548521882142
Energy: 0.8896373566287363
Energy: 0.8853791736227979
Energy: 0.8857054018252193
Energy: 0.8866792120895685
Energy: 0.8848586791935563
Energy: 0.8863557616879931
Energy: 0.8891975311870831
Energy: 0.8857297088426873
Energy: 0.8815217536034592
Energy: 0.8882238144533195
Energy: 0.8900272381810062
Energy: 0.8846199293240872
Energy: 0.8892984837825788
Energy: 0.8855236099315931
Energy: 0.8861263715483844
Energy: 0.8900444599466243
Energy: 0.8877589670489064
Energy: 0.8918972043127416
Energy: 0.8861980724108058
Energy: 0.8854189118844934
Energy: 0.8859897910146666
Energy: 0.8877198996638324
Energy: 0.8916692518259124
Energy: 0.8945443359462336
Energy: 0.8949504018188694
Energy: 0.8857522093529544
Energy: 0.8952506000745779
Energy: 0.8945179914128346
Energy: 0.9645776213326778
Energy: 0.8898860163873604
Energy: 0.8913020265584873
Energy: 0.8870718553369262
Energy: 0.8855803880584253
Energy: 0.8894908693330948
Energy: 0.8636052958690897
Energy: 0.8865085763841345
Energy: 0.8820235005344484
Energy: 0.8636976302835865
Energy: 0.8843796510541254
Energy: 0.8790879031188796
Energy: 0.863476536826682
Energy: 0.8863272333831375
Energy: 0.8812115892950815
Energy: 0.867844400894662
Energy: 0.8854989089664758
Energy: 0.8645339876834757
Energy: 0.9645861072642994
Energy: 0.8901132518266797
Energy: 0.8923796150035869
Energy: 0.8867292404968341
Energy: 0.885077405183516
Energy: 0.8903285366001743
Energy: 0.8843315584511949
Energy: 0.8981397347342964
Energy: 0.8896020130865457
Energy: 0.8844923638173854
Energy: 0.8814781619789398
Energy: 0.8904640793997218
Energy: 0.8926310726747151
Energy: 0.8874091573727321
Energy: 0.8894130011594669
Energy: 0.88619849695601
Energy: 0.8863248240053012
Energy: 0.8889436184620656
Energy: 0.8863857254181673
Energy: 0.8860350363340819
Energy: 0.8858073839282218
Energy: 0.885299539923565
Energy: 0.8860763777132828
Energy: 0.8882768027087384
Energy: 0.8852542997162985
Energy: 0.8649689984878426
Energy: 0.8906805357376301
Energy: 0.886416828721758
Energy: 0.8641559465317424
Energy: 0.8909153749765176
Energy: 0.8925862897729212
Energy: 0.8648378948205083
Energy: 0.8874129450852832
Energy: 0.8851296133128921
Energy: 0.8992362092596352
Energy: 0.8881946044917727
Energy: 0.8639420658586217
Energy: 0.8859528358446443
Energy: 0.8872238847110329
Energy: 0.8639156881202242
Energy: 0.8864145016722929
Energy: 0.8903258790684345

minimum gb energy = 0.863476536826682 eV
minimum distance =  2.54950712858487 Angstroms
sigma value = 9


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

Energy: 1.0323589566470375
Energy: 0.9781450087439174
Energy: 0.9241191857170102
Energy: 0.9517045373122422
Energy: 0.9813322579304815
Energy: 0.9240833615716174
Energy: 1.0258540271703909
Energy: 0.9408078975125421
Energy: 0.9341951816652613
Energy: 0.9269710144960315
Energy: 0.9556306002471175
Energy: 0.9353350664801605
Energy: 0.9545109892950352
Energy: 0.9366899762889225
Energy: 0.9381892151092389
Energy: 0.9189116426617594
Energy: 0.9361026947574073
Energy: 0.9321586024223619
Energy: 0.9406316202553734
Energy: 0.9328548355713558
Energy: 0.9264771460804306
Energy: 0.939546652222079
Energy: 0.9331957658481214
Energy: 0.926859764624637
Energy: 0.9296710653596428
Energy: 0.924098599460822
Energy: 0.9270370040783581
Energy: 0.9185970533166451
Energy: 0.9195212637292628
Energy: 0.9305161139864129
Energy: 0.9289322909105008
Energy: 0.9228593298790748
Energy: 0.9204468918769658
Energy: 0.9329226747269537
Energy: 0.9269270967116332
Energy: 0.9200974499568342
Energy: 0.9375256824780178
Energy: 0.9223760878773749
Energy: 0.9376074239209787
Energy: 0.9186407163447564
Energy: 0.9252048573997175
Energy: 0.9399452524252362
Energy: 0.9874588457110403
Energy: 0.9236514267494078
Energy: 0.923104493251101
Energy: 0.9362373848468278
Energy: 0.9223514998400637
Energy: 0.9229230825853405
Energy: 0.9775751331508297
Energy: 0.9221962767561099
Energy: 0.9238970277911668
Energy: 0.9306265125478423
Energy: 0.9196614076627547
Energy: 0.9337105228540962
Energy: 0.9637783904574944
Energy: 0.9224830673757657
Energy: 0.9240539210213096
Energy: 0.9317969191114395
Energy: 0.9357170357199119
Energy: 0.9180580347122178
Energy: 0.9833937208614416
Energy: 0.9264714840514787
Energy: 0.9200126653617074
Energy: 0.9364840360724985
Energy: 0.9233528450744478
Energy: 0.9191361367195519
Energy: 0.9739717359590538
Energy: 0.9406489127552482
Energy: 0.9376048482938617
Energy: 0.9569442881286124
Energy: 0.9320223108981294
Energy: 0.9360963042761665
Energy: 0.9758362266654843
Energy: 0.9332926611859433
Energy: 0.9325235558793595
Energy: 0.9222703685819187
Energy: 0.9355837713199018
Energy: 0.9201973224855773
Energy: 0.9782782978107729
Energy: 0.9309971785808542
Energy: 0.9293201248406625
Energy: 0.9356380900475246
Energy: 0.933420455510007
Energy: 0.9260663829186551
Energy: 0.9725918506527386
Energy: 0.9226880404746429
Energy: 0.9198135632337262
Energy: 0.9579585535407097
Energy: 0.9233705492961014
Energy: 0.9186693623845762
Energy: 0.9557588507781429
Energy: 0.9320543544450371
Energy: 0.9225590252729197
Energy: 0.9382243088018388
Energy: 0.9256138256327224
Energy: 0.9217102481802921
Energy: 0.9449129079801921
Energy: 0.9277671798093589
Energy: 0.9304549969951993
Energy: 0.9331301639409747
Energy: 0.9387951378714761
Energy: 0.930317587071456
Energy: 1.0517958278267516
Energy: 0.9219789340711297
Energy: 0.9210609563170661
Energy: 0.9262530035999141
Energy: 0.9379801774279881
Energy: 0.9210322237455464
Energy: 0.9536345794678832
Energy: 0.9326427050900965
Energy: 0.9341031399512193
Energy: 0.935973423687467
Energy: 0.9463651788553182
Energy: 0.9328116346947248
Energy: 0.955520274912783
Energy: 0.9312664070444827
Energy: 0.9320313398907389
Energy: 0.9611395898326845
Energy: 0.9409121016556872
Energy: 0.9318907956964646
Energy: 0.9617380837643024
Energy: 0.9190010467700066
Energy: 0.9394867765150093
Energy: 0.9195354974091353
Energy: 0.9567859364051823
Energy: 0.9409038067582783

minimum gb energy = 0.9180580347122178 eV
minimum distance =  2.49465278366063 Angstroms
sigma value = 27


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

Energy: 1.2473227348243818
Energy: 1.3701424256185384
Energy: 0.9085123656439473
Energy: 0.9173043387177725
Energy: 1.3745879197145958
Energy: 0.9304302596387389
Energy: 0.9441946072980463
Energy: 0.9099612689987137
Energy: 0.8937354010798532
Energy: 0.9388875030166737
Energy: 0.9092145495863803
Energy: 0.894346005146038
Energy: 0.9304097853755516
Energy: 0.871864671375309
Energy: 0.8711216427963279
Energy: 0.8713236260104548
Energy: 0.9225010777790479
Energy: 0.8952454434069012
Energy: 0.9609688637959404
Energy: 0.8674141308607325
Energy: 0.8672947975323616
Energy: 0.9019859609811389
Energy: 0.9273415190412264
Energy: 0.8940591733277848
Energy: 0.9361998992782684
Energy: 0.8676329433835301
Energy: 0.8675434466912345
Energy: 0.9054993660717598
Energy: 0.8676598017676415
Energy: 0.8672402589857067
Energy: 0.9683939969859164
Energy: 0.8685164704609635
Energy: 0.86819467818929
Energy: 0.9262451195524656
Energy: 0.8678750191748849
Energy: 0.8951129309387137
Energy: 0.9232750348666643
Energy: 0.8952883998720349
Energy: 0.8960744448285842
Energy: 0.9023807448259091
Energy: 0.9016953892814871
Energy: 0.9045451305013034
Energy: 0.9820964133781274
Energy: 0.9098052313150211
Energy: 0.8784644499815606
Energy: 0.9130054556635344
Energy: 0.9060498263248093
Energy: 0.9465772323938532
Energy: 0.9997471826134698
Energy: 0.8698040297033549
Energy: 0.8695719987399266
Energy: 0.9013211626957148
Energy: 0.9319754251816492
Energy: 0.8682084245205821
Energy: 0.9503084574613819
Energy: 0.8710302221276263
Energy: 0.8688744112222063
Energy: 0.8976858677205206
Energy: 0.8787001420285913
Energy: 0.8682006592408889
Energy: 0.9793736893523949
Energy: 0.949103106113665
Energy: 0.8997498403681308
Energy: 0.947489119148627
Energy: 0.9002839607412035
Energy: 0.8998232276790271
Energy: 0.8786176170578243
Energy: 0.8678351795866591
Energy: 0.8715307346879514
Energy: 0.8789385805511909
Energy: 0.8671459340529318
Energy: 0.8695530973248679
Energy: 0.8923990712832006
Energy: 0.8714855347052178
Energy: 0.870759487205983
Energy: 0.8916607207983598
Energy: 0.8770974335057087
Energy: 0.8717146703576322
Energy: 0.9022980379427245
Energy: 0.8685235155699207
Energy: 0.867630306178558
Energy: 0.9040952008848752
Energy: 0.8684544792032409
Energy: 0.8678870200664276
Energy: 0.8807993447357159
Energy: 0.8711113923729463
Energy: 0.8680096342326142
Energy: 0.8812735905284055
Energy: 0.8676124706605378
Energy: 0.8671219721049409
Energy: 0.9360818626575066
Energy: 0.8674891995272971
Energy: 0.8661716776713541
Energy: 0.8712775466586602
Energy: 0.8686225129976708
Energy: 0.8663966856042258
Energy: 0.9359712531179128
Energy: 0.8858164210761591
Energy: 0.8845701490711365
Energy: 0.937875292684642
Energy: 0.8900768152345186
Energy: 0.8851830226669427
Energy: 0.9718810162008427
Energy: 0.8686396283279747
Energy: 0.8952386112466261
Energy: 0.8989799846945138
Energy: 0.9290547224766879
Energy: 0.8956081181728737
Energy: 0.9620232421252545
Energy: 0.9078741337892189
Energy: 0.9050016607621396
Energy: 0.9633038346988255
Energy: 0.9020459944538737
Energy: 0.9036739876807401
Energy: 0.9256522763983612
Energy: 0.9080933264309076
Energy: 0.9048880050683449
Energy: 0.9019895447095935
Energy: 0.9023575684738073
Energy: 0.9039248320352806
Energy: 0.9784609489219348
Energy: 0.867326774584613
Energy: 0.8680377413071061
Energy: 0.8986237591430225
Energy: 0.9303149788260494
Energy: 0.8947579528687831
Energy: 0.929907235606772
Energy: 0.9401907211912042
Energy: 0.9401886936909145
Energy: 0.9258627651718712
Energy: 0.9637482324568545
Energy: 0.9421740376502322
Energy: 0.957747637535138
Energy: 0.9540545255190906
Energy: 0.8678314455024162
Energy: 0.9467939863005524
Energy: 0.8965168743351248
Energy: 0.8937859152445096
Energy: 0.9256411804672356
Energy: 0.8922872897904351
Energy: 0.8915454923254614
Energy: 0.9056453613586397
Energy: 0.8946138177300066
Energy: 0.8915874874557962
Energy: 0.9505592951225463
Energy: 0.9576655314910724
Energy: 0.958119418130571
Energy: 0.900747740577784
Energy: 0.9735982338169962
Energy: 0.911576801141051

minimum gb energy = 0.8661716776713541 eV
minimum distance =  2.50542303725329 Angstroms
sigma value = 19


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

Energy: 0.9440918749348001
Energy: 0.904635151571722
Energy: 0.9107751453643234
Energy: 0.9012543602767663
Energy: 0.8809352473165464
Energy: 0.9102087983041888
Energy: 0.9229866794942044
Energy: 0.8933512203920234
Energy: 0.8910182183165315
Energy: 0.8891692056069328
Energy: 0.897318496532927
Energy: 0.8917031059527732
Energy: 0.9194442798655946
Energy: 0.8904230590993139
Energy: 0.8895194916338787
Energy: 0.9019843664398035
Energy: 0.8931818876259544
Energy: 0.889457141763979
Energy: 0.9155811202052211
Energy: 0.8931898356220437
Energy: 0.893627231774616
Energy: 0.8934674730402169
Energy: 0.8903086941602011
Energy: 0.8937818211252815
Energy: 0.9151869512206997
Energy: 0.889010868841592
Energy: 0.8885829278521834
Energy: 0.9077850271237932
Energy: 0.8867494495788653
Energy: 0.8883357124649044
Energy: 0.9194994348399967
Energy: 0.8911701270620608
Energy: 0.8925968748822602
Energy: 0.9031467622818923
Energy: 0.8913977822070501
Energy: 0.8937164746112017
Energy: 0.9095332358228797
Energy: 0.8852951723186218
Energy: 0.8845950632685474
Energy: 0.8917687777277593
Energy: 0.8883379469583212
Energy: 0.8854060433235297
Energy: 0.9117295261851359
Energy: 0.8867960874263496
Energy: 0.8907297203964087
Energy: 0.8963967344460763
Energy: 0.8881848275647781
Energy: 0.8935025255979936
Energy: 0.9037109803515863
Energy: 0.890827638619584
Energy: 0.8910404835701156
Energy: 0.895159044934151
Energy: 0.8906297088767248
Energy: 0.8899855936028154
Energy: 0.9159973838920248
Energy: 0.8881281988517
Energy: 0.8871213091224303
Energy: 0.8942579800229323
Energy: 0.8896959305792027
Energy: 0.887357241548872
Energy: 0.9195239255085129
Energy: 0.8755190185996456
Energy: 0.8746135395545869
Energy: 0.9177009916487905
Energy: 0.8775842300041219
Energy: 0.8756739986836927
Energy: 0.9229027885177373
Energy: 0.874141018917684
Energy: 0.8872152843960044
Energy: 0.8777395001672121
Energy: 0.8811444379436805
Energy: 0.8734063075442706
Energy: 0.929362615561885
Energy: 0.875228797825449
Energy: 0.8850639748203025
Energy: 0.8910425635226152
Energy: 0.8767634957561671
Energy: 0.8851840990218918
Energy: 0.9350949074888456
Energy: 0.8942766905132276
Energy: 0.8917652295847104
Energy: 0.8775640557897586
Energy: 0.8930325080430105
Energy: 0.8881278980499082
Energy: 0.9225500679409143
Energy: 0.8782106962019399
Energy: 0.876815594139328
Energy: 0.8774456059325298
Energy: 0.8754780424507299
Energy: 0.8777926172079993
Energy: 0.9318354034245493
Energy: 0.8758630212965094
Energy: 0.8757983389618894
Energy: 0.8742518775064607
Energy: 0.8774100473534622
Energy: 0.8764172123277126
Energy: 0.9082951580253789
Energy: 0.8869933357196885
Energy: 0.8974854688998806
Energy: 0.8785865203999741
Energy: 0.89118857656538
Energy: 0.89952728232006
Energy: 0.9207110221015549
Energy: 0.8738804112302146
Energy: 0.8760083018522997
Energy: 0.8675889510586652
Energy: 0.874168587666004
Energy: 0.8740604878566046
Energy: 0.9290541878891813
Energy: 0.8756801468499167
Energy: 0.8759755694247628
Energy: 0.8951766032186982
Energy: 0.8754342713844311
Energy: 0.8893265790115248
Energy: 0.9118562672541335
Energy: 0.8762009861506889
Energy: 0.8764467280444583
Energy: 0.8945670293321303
Energy: 0.8769603536245668
Energy: 0.8886189647168876
Energy: 0.8791211862514442
Energy: 0.8737854007657175
Energy: 0.8733709434273009
Energy: 0.8780128237783509
Energy: 0.873891514952622
Energy: 0.8720138137372349
Energy: 0.8777851708638853
Energy: 0.875666944249079
Energy: 0.8745436004417741
Energy: 0.8788831108996698
Energy: 0.8758756697399199
Energy: 0.8744346526302704
Energy: 0.9000323274025551
Energy: 0.9000033701756351
Energy: 0.8996724058296662
Energy: 0.895319309109158
Energy: 0.8721890156292067
Energy: 0.8723908325506625
Energy: 0.9209699338289301
Energy: 0.8700520429365621
Energy: 0.8738951129031449
Energy: 0.9079586080290172
Energy: 0.8720822977418485
Energy: 0.8754558341715096
Energy: 0.909234193370713
Energy: 0.877103602449386
Energy: 0.8770679224270017
Energy: 0.8834782217788869
Energy: 0.8765674236393353
Energy: 0.8760481354041575
Energy: 0.9148684945831816
Energy: 0.8895150123403909
Energy: 0.8883256096204727
Energy: 0.8929818984544592
Energy: 0.8957181690292617
Energy: 0.8912355730943278
Energy: 0.9196017301997189
Energy: 0.8897978761675921
Energy: 0.8871421608049466
Energy: 0.8968122572183391
Energy: 0.8957884927285095
Energy: 0.8872146608295401
Energy: 0.9199625991008319
Energy: 0.8895262341718525
Energy: 0.8909196515798752
Energy: 0.8892035862015227
Energy: 0.8966957638616043
Energy: 0.8910065123165763
Energy: 0.9186408300202097
Energy: 0.9264187385984547
Energy: 0.9259360273557335
Energy: 0.8693155159424932
Energy: 0.9131632408688898
Energy: 0.8818793541758378

minimum gb energy = 0.8675889510586652 eV
minimum distance =  2.49993063962625 Angstroms
sigma value = 101


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

Energy: 1.3524531461867395
Energy: 0.8521826246881009
Energy: 0.8601574608436299
Energy: 0.8326262654776048
Energy: 0.8452278868305471
Energy: 0.8330087757131389
Energy: 0.9677205746730448
Energy: 0.8463121737464575
Energy: 0.8491456115629361
Energy: 0.8429106637222517
Energy: 0.84741205640207
Energy: 0.8486642936799319
Energy: 0.8980355803683876
Energy: 0.8430446034283445
Energy: 0.8439206068461597
Energy: 0.8567985894002693
Energy: 0.8437562160689854
Energy: 0.8459512352026334
Energy: 0.8880108886772489
Energy: 0.8465998424385955
Energy: 0.8465463301050604
Energy: 0.8474809967105561
Energy: 0.8452921209343519
Energy: 0.8463683512306397
Energy: 0.8652496326893284
Energy: 0.8603256760523319
Energy: 0.8592230418847359
Energy: 0.8577002870329516
Energy: 0.8568915892747071
Energy: 0.8601490002708031
Energy: 0.8605022709339191
Energy: 0.8464277611363904
Energy: 0.8463937430393114
Energy: 0.8478534428917742
Energy: 0.845807083067305
Energy: 0.8466455529679788
Energy: 0.8812968195929691
Energy: 0.839693551404955
Energy: 0.8411389064197047
Energy: 0.8561516735421668
Energy: 0.8398461123979833
Energy: 0.8430407090342881
Energy: 0.8712273622654532
Energy: 0.8446251683852161
Energy: 0.8453393707410162
Energy: 0.8658424183092075
Energy: 0.8474661470741021
Energy: 0.8472711022654283
Energy: 0.8484007221466271
Energy: 0.8467581982503151
Energy: 0.8467896768671543
Energy: 0.8428591664695848
Energy: 0.8540233178646919
Energy: 0.8437641448630232
Energy: 0.8588744668700545
Energy: 0.8570752425419733
Energy: 0.8542243024801854
Energy: 0.8438182557682115
Energy: 0.8604054841269783
Energy: 0.8534999819248367
Energy: 0.8661437702228898
Energy: 0.831579774847463
Energy: 0.8334279156170074
Energy: 0.8463233246309044
Energy: 0.8313054897743404
Energy: 0.8352943235289938
Energy: 0.9089287113690437
Energy: 0.8458231675598441
Energy: 0.8511925694541193
Energy: 0.8506188407419476
Energy: 0.8423920968381828
Energy: 0.8519608088546891
Energy: 0.8677537761551681
Energy: 0.8534425101925549
Energy: 0.8467826232188351
Energy: 0.8385136366597531
Energy: 0.8520774777730186
Energy: 0.8449278692188528
Energy: 0.871909346707976
Energy: 0.8553812729380904
Energy: 0.8531908706813804
Energy: 0.8399360651221892
Energy: 0.848941232596352
Energy: 0.8503019683217994
Energy: 0.8999651232925685
Energy: 0.8449025747887086
Energy: 0.84583981330757
Energy: 0.8592577834033023
Energy: 0.8449845948978527
Energy: 0.8485954929816232
Energy: 0.8980667819868381
Energy: 0.8454645070472783
Energy: 0.8476222712902884
Energy: 0.8487322787094893
Energy: 0.8463383414366866
Energy: 0.8467130624860351
Energy: 0.8651855453966446
Energy: 0.8415655979534532
Energy: 0.8547396577628843
Energy: 0.8238459592929152
Energy: 0.8413967014997736
Energy: 0.8315844893348459
Energy: 0.9333889210206083
Energy: 0.8479256505329732
Energy: 0.8475697117382223
Energy: 0.8520059530795367
Energy: 0.8454907310121279
Energy: 0.8526784284673177
Energy: 0.8978354381255507
Energy: 0.8438604408688785
Energy: 0.8452933216442431
Energy: 0.8550564979928856
Energy: 0.8435674114076901
Energy: 0.8464065688110068
Energy: 0.8861609814822268
Energy: 0.8453508955227897
Energy: 0.8463275096924866
Energy: 0.8457714407430998
Energy: 0.8440984127844677
Energy: 0.8474719542037571
Energy: 0.8671728466950104
Energy: 0.8559347604865702
Energy: 0.8467061720033355
Energy: 0.8543404735256012
Energy: 0.8557142519527862
Energy: 0.8532502587881446
Energy: 0.8622272132660977
Energy: 0.8475634326068554
Energy: 0.8498724028316174
Energy: 0.8458783987906472
Energy: 0.8473283886936708
Energy: 0.849797006417187
Energy: 0.8706430466337899
Energy: 0.8422421115636012
Energy: 0.8432393313634244
Energy: 0.8578791768295577
Energy: 0.8398713547707182
Energy: 0.8445097929407338
Energy: 0.8472257892399738
Energy: 0.8456620251220112
Energy: 0.8471632429301178
Energy: 0.8590570868286541
Energy: 0.8445694650099475
Energy: 0.8541840871416567
Energy: 0.8568554194479195
Energy: 0.8512240362918547
Energy: 0.8485932004770795
Energy: 0.8445054515808667
Energy: 0.8474319841948342
Energy: 0.8465222533039316
Energy: 0.8492284098248789
Energy: 0.8548584017690447
Energy: 0.8513545073593917
Energy: 0.8422293538477249
Energy: 0.8458535411135433
Energy: 0.8494295130409208
Energy: 0.8889202073592298
Energy: 0.8317790576539218
Energy: 0.8326095172660106
Energy: 0.8444708476025671
Energy: 0.8306596289356909
Energy: 0.834832641103266
Energy: 0.8985859348756075
Energy: 0.830676267802863
Energy: 0.8397308306490446
Energy: 0.8490497734096263
Energy: 0.8289321814166407
Energy: 0.8519523983324627
Energy: 0.8737036036431393
Energy: 0.8542561680118563
Energy: 0.8512353795478117
Energy: 0.8412643361786599
Energy: 0.8508930956315648
Energy: 0.8491345109074168
Energy: 0.8702672171188185
Energy: 0.8490605097498449
Energy: 0.8469546389854749
Energy: 0.8398821503294218
Energy: 0.8462429229003339
Energy: 0.8459744065091164
Energy: 0.8986582652539501
Energy: 0.8470390942388907
Energy: 0.8477792191201915
Energy: 0.8501465495956048
Energy: 0.8414285275127892
Energy: 0.8493416945868917
Energy: 0.8980855326536874
Energy: 0.8428297091452314
Energy: 0.8478316685047905
Energy: 0.8467233961422479
Energy: 0.8421492159202971
Energy: 0.8486631396147015
Energy: 0.8657054009612434
Energy: 0.8479161723387392
Energy: 0.8467562096662813
Energy: 0.8297068061607513
Energy: 0.8419734860900892
Energy: 0.8452915907093473

minimum gb energy = 0.8238459592929152 eV
minimum distance =  2.50137644596322 Angstroms
sigma value = 33


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

Energy: 0.014731752930913689
Energy: 0.9310031270068069
Energy: 0.015607515415014697
Energy: 0.016770173188120446
Energy: 0.933237246621545
Energy: 0.015430236036834535
Energy: 0.42298919448302336
Energy: 0.10765006195381796
Energy: 0.10631449412074476
Energy: 0.10594173756993637
Energy: 0.10839226009703391
Energy: 0.1059260322798511
Energy: 1.2554702214911242
Energy: 0.9316704317838995
Energy: 0.9313016534367607
Energy: 0.9298275836376121
Energy: 0.9324394079996845
Energy: 0.9300839036806586
Energy: 0.016379193346281448
Energy: 0.10765006195417962
Energy: 0.10631449412074476
Energy: 0.10594173756806416
Energy: 0.1083922600962893
Energy: 0.10592603227874484

minimum gb energy = 0.014731752930913689 eV
minimum distance =  2.71823817098668 Angstroms
sigma value = 1