Model name: model_name=EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000084042549
cohesive_energy=3.540278406876014
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015448593172844858
Energy: 0.020051584207126785
Energy: 0.10505736233795293
Energy: 0.10519083856712663
Energy: 0.01923457868858274
Energy: 0.016806999538704293
Energy: 0.10362509778788949
Energy: 0.10577952756255535
Energy: 0.10414675222641509
Energy: 0.018387292002663546
Energy: 0.01616486643023773
Energy: 0.10292749172774367
Energy: 0.10384971076970247
Energy: 0.10554528793093769
Energy: 0.10554950717488318
Energy: 0.10347825452052407
Energy: 0.10822791733503494
Energy: 0.10364543807825423
Energy: 0.1056874442373128
Energy: 0.10493058546438043
Energy: 0.10593388778477086
Energy: 0.01913989525823636
Energy: 0.015954209779286473
Energy: 0.10367909515714846
Energy: 0.10445101978730735
Energy: 0.10533301726176766
Energy: 0.01847802410677428
Energy: 0.015958135060311383
Energy: 0.10338650275803643
Energy: 0.105163041559954
Energy: 0.10452331243877477
Energy: 0.016904615352075804
Energy: 0.01683385354210801
Energy: 0.1065487530288359
Energy: 0.1039525227707869
Energy: 0.10495083070545581
Energy: 0.01724203655332566
Energy: 0.0161786288524503
Energy: 0.10410261902029262
Energy: 0.10359899397921206
Energy: 0.10399301169543275
Energy: 0.10473439516420462
Energy: 0.10637487548321117
Energy: 0.01734124388978078
Energy: 0.016117151593566602
Energy: 0.10395626474999121
Energy: 0.10459527891395272
Energy: 0.10580987831333041
Energy: 0.01838286197980989
Energy: 0.10416457190835503
Energy: 0.10622650440715888
Energy: 0.10359931743334216
Energy: 0.10436968194177075
Energy: 0.016586126370227917
Energy: 0.016012572737466597
Energy: 0.10645394180417898
Energy: 0.10311834582374221
Energy: 0.1049983177180858
Energy: 0.017214565177682092
Energy: 0.016154642067072202
Energy: 0.016048226078974433
Energy: 0.10626941470805942
Energy: 0.10442711925193543
Energy: 0.10486230433096738
Energy: 0.10694101754548435
Energy: 0.019937940106476613
Energy: 0.10697325831623912
Energy: 0.10427794631410572
Energy: 0.10572111002875959
Energy: 0.10665948360341009

minimum gb energy = 0.015448593172844858 eV
minimum distance =  2.51957767817023 Angstroms
sigma value = 3


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

Energy: 1.297267484078296
Energy: 0.8646089666414
Energy: 0.8873320834619111
Energy: 0.8738315651655154
Energy: 0.845551760537507
Energy: 0.8810464423328124
Energy: 0.8490495156067571
Energy: 0.8890786240933417
Energy: 0.8893899622810907
Energy: 0.8699518123163328
Energy: 0.8140546974404843
Energy: 0.9584252826127797
Energy: 0.894769597288237
Energy: 0.7793542982614842
Energy: 0.6858294120149049
Energy: 0.6847835567410747
Energy: 0.9099680989530916
Energy: 0.8888392175207941
Energy: 0.7783815748535663
Energy: 0.7876550493788943
Energy: 0.8939528809823001
Energy: 0.926152978490151
Energy: 0.757539786643304
Energy: 0.6845134208840538
Energy: 0.6844769299798759
Energy: 0.68427362627563
Energy: 0.8157711878840551
Energy: 0.7576905354192308
Energy: 0.7463845432684442
Energy: 0.8376081915970826
Energy: 0.7470708101330439
Energy: 0.9586992617068727
Energy: 0.866581457331015
Energy: 0.6841075592663179
Energy: 0.6841092407832678
Energy: 0.6841025593362348
Energy: 0.8924385584118208
Energy: 0.8670712189720303
Energy: 0.7902966771095441
Energy: 0.8378949009512998
Energy: 0.9303990995981785
Energy: 0.8718997874549596
Energy: 0.8743500802645057
Energy: 0.7212717697392843
Energy: 0.729267058850439
Energy: 0.8804733940435387
Energy: 0.8322426351585692
Energy: 0.8749355065817129
Energy: 0.9663181150214422
Energy: 0.7576638600193816
Energy: 0.8338963739593713
Energy: 0.8713278064033034
Energy: 0.8718863992045846
Energy: 0.788768821069683
Energy: 0.7214055532277709
Energy: 0.8732537592071277
Energy: 0.8786574292797942
Energy: 0.9459164655429537
Energy: 0.7880737241294178
Energy: 0.9132770559491574
Energy: 0.9142106338483903
Energy: 0.8939580403465901
Energy: 0.9145244209535107
Energy: 0.7209529017740727
Energy: 0.9018790034818998
Energy: 0.908293994541367
Energy: 0.9041400849150468
Energy: 0.795379914695759
Energy: 0.7216023772387171
Energy: 0.9102810485407589
Energy: 0.9146455172492739
Energy: 0.8954691643600675
Energy: 0.9183632561640285
Energy: 0.7816670816875967
Energy: 0.9062456449018393
Energy: 0.9091793657898225
Energy: 0.9061068382034577
Energy: 0.9019206094233562
Energy: 0.8582534309227343
Energy: 0.9061938172614054
Energy: 0.9873182770368465
Energy: 0.8105953488889742
Energy: 0.7237485588492013
Energy: 0.9001150299314333
Energy: 0.8950086526880552
Energy: 0.9805332476675437
Energy: 0.8044189459997675
Energy: 0.7554888102845201
Energy: 0.905834967948313
Energy: 0.9072872841336054
Energy: 0.9659317359015415
Energy: 0.7223563537862329
Energy: 0.79213861391502
Energy: 0.8157262077830408
Energy: 0.7551564463710112
Energy: 0.7406366221291113
Energy: 0.7267254713668224
Energy: 0.7195415413787213
Energy: 0.79952704970655
Energy: 0.761433224507962
Energy: 0.9116062678978248
Energy: 0.7847705470071727
Energy: 0.7891851892994026
Energy: 0.8256263595137548
Energy: 0.7627465494256875
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Energy: 0.7892710555795914
Energy: 0.7254687331815171
Energy: 0.7991285977393737
Energy: 0.7543940690230427
Energy: 1.0007850763326924
Energy: 0.8523722041635012
Energy: 0.8003384190161225
Energy: 0.9845172215519225
Energy: 0.9054308278976823
Energy: 0.719901241842558
Energy: 0.7266544520635185
Energy: 0.8468010047003653
Energy: 0.9769634207996308
Energy: 0.889736100889953
Energy: 0.9825943990783216
Energy: 0.7193247252685807
Energy: 0.8859236963706821
Energy: 0.8667757147995253
Energy: 0.9183330552389782
Energy: 0.7188236296779521
Energy: 0.7205736086246782
Energy: 0.8753042979325015
Energy: 0.8769966677335175
Energy: 0.9183922133469766
Energy: 0.8759006962023498
Energy: 0.8595181968725782
Energy: 0.9097250236086699
Energy: 0.9074762995368568
Energy: 0.9060076913935418
Energy: 0.8186572240336615
Energy: 0.7242564633399281
Energy: 0.9088240765030665
Energy: 0.9146205799461656
Energy: 0.8354448604149077
Energy: 0.8986191740060185
Energy: 0.8961324530031431
Energy: 0.9098699639569645
Energy: 0.9014512255830177
Energy: 0.8978918169106194
Energy: 0.9058882232547789
Energy: 0.8967407867192014
Energy: 0.9093714068949593
Energy: 0.9032391485304245
Energy: 0.9026544481418998
Energy: 0.7767977153197093
Energy: 0.9967927299242694
Energy: 0.9117636814087674
Energy: 0.9026863291770579
Energy: 0.7235290039605626
Energy: 0.7462583307542681
Energy: 0.9132233247142505
Energy: 0.9158602110268607
Energy: 0.9118382463392167
Energy: 0.722676258858066
Energy: 0.8648390913450372
Energy: 0.8178860861909873
Energy: 0.7588528268607267
Energy: 0.7815445352610739
Energy: 0.7185993682591889
Energy: 0.7575158452374159
Energy: 0.7545434420285564
Energy: 0.7670869216785389
Energy: 0.7599762772115799
Energy: 0.8494793168365655
Energy: 0.8234639233782638
Energy: 0.7649552288763696
Energy: 0.7583553910336259
Energy: 0.7532248397978508
Energy: 0.7802739856999726
Energy: 0.7186723239829973
Energy: 0.7647503419494723
Energy: 0.7592225118908852
Energy: 0.8168663577028712
Energy: 0.8034901491115205
Energy: 0.9290968198507394
Energy: 0.9119657847148775
Energy: 0.8879506895627189
Energy: 0.901020982454338
Energy: 0.7213093770580354
Energy: 0.9268904228353008
Energy: 0.9160141469869858
Energy: 0.8735013863520477
Energy: 0.7871312829769864
Energy: 0.8217407928417821
Energy: 0.9175539609819479
Energy: 0.9225572805402275
Energy: 0.9389375740599677
Energy: 0.7896541723040695
Energy: 0.940037249441675
Energy: 0.8312605608273249
Energy: 0.9235414369307247
Energy: 0.9445259422368698
Energy: 0.8932713199240929
Energy: 0.8727143444838364
Energy: 0.9142637385466142
Energy: 0.9259256771252039
Energy: 0.8855038216283092
Energy: 0.7218332272488924
Energy: 0.9041080212269003
Energy: 0.9113439821253886
Energy: 0.9834217083244984
Energy: 0.8656832348134955
Energy: 0.7192921699842435
Energy: 0.9085599998108481
Energy: 0.916125526254907
Energy: 0.9113903706538568
Energy: 0.8403582086354577
Energy: 0.791298133039868
Energy: 0.9025270877459345
Energy: 0.9092645663711322
Energy: 0.8980874582784276
Energy: 0.8070325465465745
Energy: 0.7807000392630656
Energy: 0.9057363644764725
Energy: 0.9847107576663525
Energy: 0.8072120150082233
Energy: 0.7581169487708255
Energy: 0.7976247638882416
Energy: 0.8948437565257311
Energy: 0.9787564483151158
Energy: 0.8019773638050973
Energy: 0.7565410241557358
Energy: 0.7950342950269229
Energy: 0.9090074529426521
Energy: 0.8182891416205256
Energy: 0.8584078275687
Energy: 0.7206561352947918
Energy: 0.8193388082899855
Energy: 0.754016097235402
Energy: 0.8267425474031361
Energy: 0.7257138755663031
Energy: 0.7194913722808963
Energy: 0.8030041361211665
Energy: 0.7539110556791259
Energy: 0.8176600392224284
Energy: 0.7895155217742803
Energy: 0.7211041841995162
Energy: 0.8261692508605696
Energy: 0.7620859180150739
Energy: 0.7786545243189376
Energy: 0.7848229460645165
Energy: 0.7236006763012971
Energy: 0.7826254304108996
Energy: 0.7538694085495129
Energy: 0.7466758785529061
Energy: 0.7969743995862536
Energy: 0.7252272255746361
Energy: 0.9202876722097392
Energy: 0.8837080382389406
Energy: 0.7686376722560392
Energy: 0.6893695391798776
Energy: 0.7972260126854778
Energy: 0.9843026870303965
Energy: 0.8916973515506375
Energy: 0.991877998002833
Energy: 0.8942172025389146
Energy: 0.8739263187883907
Energy: 0.9239795361521497
Energy: 0.9167127714097862
Energy: 0.688601628853595
Energy: 0.684767425175003
Energy: 0.809676024945008
Energy: 0.9240214155358261
Energy: 0.9177222276642467
Energy: 0.8490050420678397
Energy: 0.8443335667381303
Energy: 0.8868205413849388
Energy: 0.8875129708985621
Energy: 0.8472437127630872
Energy: 0.689235128736705
Energy: 0.6867291978951265
Energy: 0.9635492361637541
Energy: 0.8791205513334011
Energy: 0.9043696227869641
Energy: 0.8729639925575646
Energy: 0.8496287684454191
Energy: 0.8899275491181922
Energy: 0.8631250858740467
Energy: 0.8456693281826048
Energy: 0.8445394985541184
Energy: 0.8488826970253949
Energy: 0.8878121866674454
Energy: 0.8725240306949099
Energy: 0.8342159593594244

minimum gb energy = 0.6841025593362348 eV
minimum distance =  2.24909851395621 Angstroms
sigma value = 75


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

Energy: 1.7147377145325355
Energy: 0.9636426458400277
Energy: 0.8413197285103994
Energy: 0.8613270104741235
Energy: 0.9741586735102369
Energy: 0.835469947540828
Energy: 0.8342990910675617
Energy: 0.8608501529947274
Energy: 0.8534433168648355
Energy: 0.964815488239436
Energy: 0.8466658591603622
Energy: 0.8923500458658498
Energy: 0.861022032796559
Energy: 0.8517457456959504
Energy: 0.8622145039184204
Energy: 0.8619527505609053
Energy: 0.8488276532524226
Energy: 0.8762006246090495
Energy: 0.8633396072032116
Energy: 0.8733680790396918
Energy: 0.920127318525777
Energy: 1.0545192682103686
Energy: 0.900589396780182
Energy: 0.8884908184949915
Energy: 0.9156075407334058
Energy: 0.8570910377846925
Energy: 0.9228243291679752
Energy: 0.892283299163328
Energy: 0.9301344413969723
Energy: 0.846663203322363
Energy: 0.8668236045372197
Energy: 0.8760197084191133
Energy: 0.8742497147813572
Energy: 0.8427005242279578
Energy: 0.8188262381362454
Energy: 0.8764934080848783
Energy: 0.8551663195072691
Energy: 0.826124243149499
Energy: 0.8775790889494343
Energy: 0.9160028690258303
Energy: 0.8735948724052625
Energy: 0.841217070437895
Energy: 1.0212721633801805
Energy: 0.9010625823097097
Energy: 0.8478839356216116
Energy: 0.8448645874508947
Energy: 0.853557417170745
Energy: 1.0098249785038131
Energy: 0.8883936990998748
Energy: 0.8605001158862566
Energy: 0.8436645748955423
Energy: 0.8390050566061106
Energy: 0.9874930378016499
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Energy: 0.8353986736503632
Energy: 0.8563827058326401
Energy: 0.8622604756548238
Energy: 0.8928729429403839
Energy: 0.8783850222719474
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Energy: 0.8413023530794393
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Energy: 0.9097598696263409
Energy: 0.864098104380061
Energy: 0.9303938833149012
Energy: 0.8821936428764887
Energy: 0.9272475756329023
Energy: 0.9135810978330109
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Energy: 1.0309566018237795
Energy: 0.836668082041286
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Energy: 0.8698206543319158
Energy: 1.0400471328349037
Energy: 1.0308287206712414
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Energy: 0.8170473927315686
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Energy: 0.8717950442450875
Energy: 0.9003670699950427
Energy: 0.913669306261249
Energy: 0.8872385865098792
Energy: 0.8932645531158953
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Energy: 0.884157560958391
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Energy: 0.8507976700844232
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Energy: 0.8509012050936348
Energy: 0.8603715884002485
Energy: 0.8589379981159843
Energy: 0.8600838558558931
Energy: 1.0682828362275572
Energy: 0.8471501125839772
Energy: 0.8420943582609346
Energy: 0.9138720030467137
Energy: 0.8534308177564974
Energy: 0.8647244803742399
Energy: 0.8477590874087562
Energy: 0.8444241435706477
Energy: 0.9228612417262593
Energy: 0.8541142215623354
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Energy: 0.891198743051759
Energy: 0.9274030753739141
Energy: 0.8542069520350131
Energy: 0.881912466520903
Energy: 0.8994025718396436
Energy: 0.891598992987112
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Energy: 0.82748310678033
Energy: 0.8550916327065821
Energy: 0.8805905120959909
Energy: 0.8549745411127597
Energy: 0.8533117771129278
Energy: 0.9052846743491627
Energy: 0.8819410027736198
Energy: 0.9029883688360898
Energy: 0.8738219432517398
Energy: 0.8679969338446318
Energy: 0.890258489019018
Energy: 0.8690606375059299
Energy: 0.8531218250559033
Energy: 0.8554987795371152
Energy: 0.9962474713382115
Energy: 0.8763881560068998
Energy: 0.8645983568806356
Energy: 0.8527339835844114
Energy: 0.8601735041129607
Energy: 1.0204228711305985
Energy: 1.0514166087407268
Energy: 0.8731056945291076
Energy: 0.8656346607108814
Energy: 0.8413947750339921
Energy: 0.8694788097415929
Energy: 0.8661102245007181
Energy: 0.8958507918745339
Energy: 0.8530245439420134
Energy: 0.8382521285863805
Energy: 0.8783787164710837
Energy: 0.9287247921673989
Energy: 0.8658632708061416
Energy: 0.8685105403362753
Energy: 0.9383735325338607
Energy: 0.8589377005661523
Energy: 0.8935929533870957
Energy: 0.8437146431052092
Energy: 0.8579633853957553
Energy: 0.8716877548305884
Energy: 0.8455132283764455
Energy: 0.9646403117550565
Energy: 0.920719096596464
Energy: 0.8852355911555436
Energy: 0.942741946338728
Energy: 0.8629957564040557
Energy: 0.9351009116910444
Energy: 0.9196556888202025
Energy: 0.8759436129618283
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Energy: 0.837617360050599
Energy: 0.8620460036289674
Energy: 0.9031009254749446
Energy: 0.8759726631492678
Energy: 0.9132961367039224
Energy: 0.8416632612741672
Energy: 0.9022987832156363
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minimum gb energy = 0.7970122444297494 eV
minimum distance =  2.28609557457052 Angstroms
sigma value = 105


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

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Energy: 0.8730557983988977
Energy: 0.8770164881864648
Energy: 0.8754114875343204
Energy: 0.8933000555861829
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Energy: 0.8730289905316718
Energy: 0.8584174646270796
Energy: 0.9431639204953395
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Energy: 0.8857441052296704
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Energy: 0.963074697233386
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Energy: 0.9179546888334134
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Energy: 0.8844738449257131
Energy: 0.9000379241454637
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Energy: 0.8982685292305385
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Energy: 0.8768798294042142
Energy: 0.9591562948836058
Energy: 0.9139062723329602
Energy: 0.8789463671394504
Energy: 0.9060135059662221
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Energy: 0.9133871073248899
Energy: 0.9094777589961205
Energy: 0.8746441722969819
Energy: 0.8942181494303141
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Energy: 0.9422588794754382
Energy: 0.9179193782361589
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Energy: 0.8765264957812474
Energy: 0.9522756915887477
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Energy: 0.8590824787830812
Energy: 0.9278775346874814
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Energy: 0.9021770049569706
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Energy: 0.9326540697512347
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Energy: 0.8520575186719309
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Energy: 0.9223399717461557
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Energy: 0.8529770750000243
Energy: 0.9076600878926747
Energy: 0.941342444520631
Energy: 0.9240883258500946
Energy: 0.9225211345136567
Energy: 0.860252223131031
Energy: 0.9722301826958794
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Energy: 0.9088623244746813
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Energy: 0.8633153450810492
Energy: 0.9460835065388056
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Energy: 0.9430290909418988
Energy: 0.9431298211004555
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Energy: 0.9714903925079744
Energy: 0.9475304147032826
Energy: 0.9432903814757582
Energy: 0.9495729329442434
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Energy: 0.8770383568607162
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Energy: 0.8752171734216339
Energy: 0.8620383691423928
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Energy: 0.8691419405094228
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Energy: 0.8663795523251336
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Energy: 0.8563008720584121
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Energy: 0.9490865738164872
Energy: 0.8647341981848192
Energy: 0.8895435924617118
Energy: 0.8498494866274452
Energy: 0.9797709129733544
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Energy: 0.8727779619844394
Energy: 0.8897964156357678
Energy: 0.8713933812493362
Energy: 0.9195217576793573
Energy: 0.9296065302168518
Energy: 0.860622922465832
Energy: 0.8616331598827256
Energy: 0.9082660613634325
Energy: 0.9129502505144684
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Energy: 0.9644067488894086
Energy: 0.8620900840784973
Energy: 0.973486501818589
Energy: 0.9317685953228465
Energy: 0.927174248999998
Energy: 0.8758923790094749
Energy: 0.8533034596540223
Energy: 0.9130833175217884
Energy: 0.9148229305233825
Energy: 0.9298927666971433
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Energy: 0.8731792369361606
Energy: 0.9201485830478611
Energy: 0.8962608846207811
Energy: 0.8771346744835159
Energy: 0.8727198295945338
Energy: 0.8680846534828934
Energy: 0.8604561427139444
Energy: 0.9459020828880343
Energy: 0.8815679080016834
Energy: 0.8746529181230518
Energy: 0.8815438449288456
Energy: 0.8790574367491801
Energy: 0.9365759799753498
Energy: 0.9193482803646429
Energy: 0.860718418334601
Energy: 0.8744528682616276
Energy: 0.8793512049884871
Energy: 0.8511147787257559
Energy: 0.9130896822010501
Energy: 0.8792566759151005
Energy: 0.876249971366659
Energy: 0.8767212613895154
Energy: 0.9017459848642029
Energy: 0.9542613890576088
Energy: 0.8409799945954849
Energy: 0.8709440347539088
Energy: 0.9186167902150116
Energy: 0.9230857294543101
Energy: 0.969621550284862
Energy: 0.8845997407349614
Energy: 0.8893396162911655
Energy: 0.9239152891399889
Energy: 0.9107888177264022
Energy: 0.8719919186600895
Energy: 0.9132520256273516
Energy: 0.9181093626462719
Energy: 0.853578534376799
Energy: 0.9625358434877371
Energy: 0.8610981269216078
Energy: 0.9284880924655227
Energy: 0.9174649098542491
Energy: 0.8673855401084216
Energy: 0.9432892370326592
Energy: 0.9113633150037249
Energy: 0.9133292787847562
Energy: 0.9165390557131552
Energy: 0.8581487024710547
Energy: 0.9355201414109815
Energy: 0.8430005509882231
Energy: 0.9128594173859257
Energy: 0.9260463657110471
Energy: 0.8579574212800257
Energy: 0.907842052838069
Energy: 0.9340802234039628
Energy: 0.9139503852219374
Energy: 0.9193982737739151
Energy: 0.8866900571617026
Energy: 0.9416413617143604
Energy: 0.9435836335415242
Energy: 0.9169589459848047
Energy: 0.9194941350187138
Energy: 0.8968565686085894
Energy: 0.9415819587058085
Energy: 0.9456804197399794
Energy: 0.9238993127648496
Energy: 0.9015762047518728
Energy: 0.9167763096262994
Energy: 0.9128081484002453
Energy: 0.930751036858602
Energy: 0.923861009162269
Energy: 0.8702962496665716
Energy: 0.9169825892142748
Energy: 0.9134213362495194
Energy: 0.9177517181579015
Energy: 0.9316890426696547
Energy: 0.933428320950508
Energy: 0.9187274509214288
Energy: 0.9223893231726692
Energy: 0.9201860026541866
Energy: 0.924048460279515
Energy: 0.9190335506448823
Energy: 0.9362027329380761
Energy: 0.8959682411626035
Energy: 0.9519567995344385
Energy: 0.8721068414170382
Energy: 0.9275707219313682
Energy: 0.9289949224904106
Energy: 0.8511144655760655
Energy: 0.9182424681227502
Energy: 0.8348701787624284
Energy: 0.923861242777052
Energy: 0.9244887727742216
Energy: 0.88183933967121
Energy: 0.8707118208301046
Energy: 0.8760223362331547
Energy: 0.917824628652567
Energy: 0.9185311075696437
Energy: 0.8545042046592329
Energy: 0.9133075218183617
Energy: 0.8779910830915024
Energy: 0.9214612494217509
Energy: 0.9218957030485794
Energy: 0.9089494425076136
Energy: 0.9527317255711183
Energy: 0.9422144929358826
Energy: 0.9352734906651217
Energy: 0.9344091854114976
Energy: 0.9654728373829677
Energy: 0.8914699940283103
Energy: 0.9420835370448868
Energy: 0.9611705785775502
Energy: 0.933668724796279
Energy: 0.9542447628961892
Energy: 0.9255645770154188
Energy: 0.8551454878867821
Energy: 0.860265326101847
Energy: 0.8563977719901621
Energy: 0.9372477845642273
Energy: 0.8389272789612289
Energy: 0.848936252795661
Energy: 0.8496707397052733
Energy: 0.8418193511538064
Energy: 0.8954154804026482
Energy: 0.87765223136424
Energy: 0.8480743062546158
Energy: 0.8488458186290011
Energy: 0.8481342575735108
Energy: 0.8481132186276964
Energy: 0.8456395477554096
Energy: 0.8486563000371095
Energy: 0.8599228264604263
Energy: 0.8483488412735753
Energy: 0.9202844778336859

minimum gb energy = 0.8346765848545125 eV
minimum distance =  2.28186792366482 Angstroms
sigma value = 165


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

Energy: 1.2064084451341173
Energy: 0.846215215313005
Energy: 0.8519231628377616
Energy: 0.8941449702080102
Energy: 0.8091481133419374
Energy: 1.1242007389744064
Energy: 0.8620578018030384
Energy: 0.8568482619784592
Energy: 0.9017509986730418
Energy: 0.8463220217550537
Energy: 0.8455719492213735
Energy: 0.9069682404339114
Energy: 0.8973669444234185
Energy: 0.8956031619711985
Energy: 0.888152045445692
Energy: 0.8746380588968001
Energy: 0.8414785455058394
Energy: 0.9020411814596189
Energy: 0.9007550385537769
Energy: 0.9501367492828585
Energy: 0.8611743148043284
Energy: 0.9559294140754772
Energy: 0.8570600498036209
Energy: 0.8634450938964277
Energy: 0.9006263061409171
Energy: 0.8515655150788843
Energy: 0.8620096212692617
Energy: 0.9022376616590049
Energy: 0.9009288793447002
Energy: 0.9593318186565924
Energy: 0.8601365856944614
Energy: 0.8918099791342106
Energy: 0.9079711595225138
Energy: 0.855571751633416
Energy: 0.8569449086787231
Energy: 0.8658734358089143
Energy: 0.9029199964536821
Energy: 0.8599826145211523
Energy: 0.8596845052130174
Energy: 0.8975731048663154
Energy: 0.9412025720319738
Energy: 0.9207445094153279
Energy: 0.9013146534299057
Energy: 0.8976273341022531
Energy: 0.8401219611768458
Energy: 0.9009137320353805
Energy: 0.8609413421262272
Energy: 0.8633409003047725
Energy: 0.847540060552953
Energy: 0.8976011300485444
Energy: 0.8669049638075604
Energy: 0.8687834562017595
Energy: 0.9080549887589504
Energy: 0.8526318253147667
Energy: 0.8551801645934469
Energy: 0.8686315695521356
Energy: 0.8688622923381086
Energy: 0.9003000325801881
Energy: 0.8507629141429217
Energy: 0.9295791782743075
Energy: 0.8459486256585738
Energy: 0.9258027063983078
Energy: 0.9368494088556305
Energy: 0.8936024700454315
Energy: 0.8563010181184505
Energy: 0.8887434642612229
Energy: 0.8836341677474945
Energy: 0.9389081562176375
Energy: 0.890374697135028
Energy: 0.853735445883794
Energy: 0.8960096016088966
Energy: 0.9265234166134658
Energy: 0.9298642413867091
Energy: 0.9291340964261358
Energy: 0.8998226853970488
Energy: 0.813647410834493
Energy: 0.9224486657889979
Energy: 0.9316314251644604
Energy: 0.9315025998536958
Energy: 0.8115044505427652
Energy: 0.8150484886240207
Energy: 0.8481303811060299
Energy: 0.8927377946745223
Energy: 0.9319817801143963
Energy: 0.9244272917440296
Energy: 0.815472104693587
Energy: 0.8991484030960336
Energy: 0.8906928020805733
Energy: 0.9297610228255985
Energy: 0.8927726603984935
Energy: 0.8964084404476209
Energy: 0.8734468179698901
Energy: 0.9422895242127358
Energy: 0.9415956972379618
Energy: 0.9268920448116179
Energy: 0.9180635351595478
Energy: 0.857461410675164
Energy: 0.9310190434743432
Energy: 0.938467340541494
Energy: 0.9296706682924356
Energy: 0.9238230545285427
Energy: 0.9392859345177893
Energy: 0.8713321054057813
Energy: 0.9383073857993964
Energy: 0.8978471629894956
Energy: 0.9404806620070747
Energy: 0.9168837563983362
Energy: 0.8722150448417015
Energy: 0.9640761109190679
Energy: 0.901949237880902
Energy: 0.9761641226347801
Energy: 0.9418688593371572
Energy: 0.8717392121086889
Energy: 0.8504363958266007
Energy: 0.8510014870015036
Energy: 0.9457483407008843
Energy: 0.8931981843760386
Energy: 0.907523022487781
Energy: 0.9067586293972405
Energy: 0.9137627387755507
Energy: 0.9143499127556306
Energy: 0.8549006138382985
Energy: 0.8391789583577861
Energy: 0.8434735892667221
Energy: 0.8522227714099506
Energy: 0.8683766773750066
Energy: 0.8960942599580369
Energy: 0.9047041097720839
Energy: 0.9081440807253944
Energy: 0.8663234561828218
Energy: 0.8418246568900506
Energy: 0.898351441673839
Energy: 0.8908508077407487
Energy: 0.8520892227193527
Energy: 0.8408397907049285
Energy: 0.8915311567466572
Energy: 0.8540688811182346
Energy: 0.8753042055386667
Energy: 0.850079866528758
Energy: 0.8476985167861225
Energy: 0.8456467651378633
Energy: 0.9442862290892906
Energy: 0.893695891938115
Energy: 0.853474804987043
Energy: 0.8725734378971168
Energy: 0.8663971855709216
Energy: 0.8918515271541865
Energy: 0.9009807435559487
Energy: 0.8574773807566164
Energy: 0.908836430968843

minimum gb energy = 0.8091481133419374 eV
minimum distance =  2.31592172307981 Angstroms
sigma value = 41


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

Energy: 0.8417271714074194
Energy: 0.7843075916879688
Energy: 0.7762252625048068
Energy: 0.7523039223533085
Energy: 0.7332861987482455
Energy: 0.8011583805829102
Energy: 0.7327172424339542
Energy: 0.7725266795931192
Energy: 0.7735916637930939
Energy: 0.754081040224406
Energy: 0.8222713353383531
Energy: 0.7927222324908139
Energy: 0.7701144722260614
Energy: 0.7781193705374156
Energy: 0.7479567228378217
Energy: 0.7565809918684976
Energy: 0.7298335995969131
Energy: 0.7869308812036263
Energy: 0.7885594174434042
Energy: 0.8117140723699993
Energy: 0.7599686199049476
Energy: 0.8308338961757799
Energy: 0.851990765616939
Energy: 0.7759611782399766
Energy: 0.7930843070535065
Energy: 0.7781708984001335
Energy: 0.8231739786669768
Energy: 0.8592753658616471
Energy: 0.8000552932931937
Energy: 0.7919185092841897
Energy: 0.8136499113198981
Energy: 0.811445822616905
Energy: 0.8245911608743899
Energy: 0.7984818274003298
Energy: 0.8809878420637978
Energy: 0.8205656827214806
Energy: 0.7449517131997138
Energy: 0.7634736146114444
Energy: 0.761016069920625
Energy: 0.8875758046336742
Energy: 0.8350091055438219
Energy: 0.8216671725834858
Energy: 0.8278614042232584
Energy: 0.8163144138338808
Energy: 0.7876894232747083
Energy: 0.8061826678990058
Energy: 0.7592567559296421
Energy: 0.7612486412037198
Energy: 0.7615943148720434
Energy: 0.8734952266607804
Energy: 0.8366814386064041
Energy: 0.793159999731979
Energy: 0.7678150655138751
Energy: 0.7710987451048478
Energy: 0.8222779805035565
Energy: 0.8324336476474844
Energy: 0.7981868466914187
Energy: 0.8360577743117806
Energy: 0.8072509077866182
Energy: 0.78780619554341
Energy: 0.8007721310586013
Energy: 0.8355071339620741
Energy: 0.8160320111313597
Energy: 0.7943645259532229
Energy: 0.8197067348021709
Energy: 0.8073201785058242
Energy: 0.7780546780542352
Energy: 0.7658933099598455
Energy: 0.7922567202470574
Energy: 0.7916426630847091
Energy: 0.7707664218099914
Energy: 0.7765869206180562
Energy: 0.7994782967478684
Energy: 0.7870053847875472
Energy: 0.7606978728864014
Energy: 0.7873493795192261
Energy: 0.8132691816103219
Energy: 0.7969652949707235
Energy: 0.7895748273218552
Energy: 0.7634263217560421
Energy: 0.7694430865669906
Energy: 0.7568562934276486
Energy: 0.8064582609476312
Energy: 0.7927031958225309
Energy: 0.8284424717058582
Energy: 0.7698226367675196
Energy: 0.7953633118554198
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Energy: 0.8010974273132503
Energy: 0.7737235748359735
Energy: 0.7764662063788563
Energy: 0.7542764803207621
Energy: 0.7514770359616189
Energy: 0.802091939037497
Energy: 0.8262266671239139
Energy: 0.8166230297727849
Energy: 0.8004104573776046
Energy: 0.7738533218237141
Energy: 0.7955954524751787
Energy: 0.8000375946365367
Energy: 0.7528464119849596
Energy: 0.7477089657684045
Energy: 0.7682828945054482
Energy: 0.7771780516930494
Energy: 0.7835905703305976
Energy: 0.7541589714469779
Energy: 0.768193834528319
Energy: 0.7771391960326434
Energy: 0.7815454947819636
Energy: 0.8697853843058554
Energy: 0.7713657148577684
Energy: 0.779112869466357
Energy: 0.7602954815419584
Energy: 0.7506222556759423
Energy: 0.8218123339335414
Energy: 0.8035650619571432
Energy: 0.7873964805446899
Energy: 0.7943154355283215
Energy: 0.7418051626440431
Energy: 0.819933430893336
Energy: 0.7816247561249458
Energy: 0.7761846945271029
Energy: 0.7302930156599695
Energy: 0.7885999713642627
Energy: 0.7590763809114348
Energy: 0.7639079930578951
Energy: 0.7791267778183201
Energy: 0.7500013073073848
Energy: 0.8007585858918771
Energy: 0.7806597803299757
Energy: 0.7791669772895855
Energy: 0.7836735763077586
Energy: 0.742864621330926
Energy: 0.7520217126484084
Energy: 0.8049623777913432
Energy: 0.7357826490232454
Energy: 0.7891109280130892
Energy: 0.7326663095642348
Energy: 0.7575508334350757
Energy: 0.7957638795968538
Energy: 0.7397327993377476
Energy: 0.7856846374095365
Energy: 0.7653893111571262
Energy: 0.8037950570711908
Energy: 0.7928245531289608
Energy: 0.7298955732060034
Energy: 0.7911512105512715
Energy: 0.7877756009408047
Energy: 0.768710986211375
Energy: 0.8014937188965311
Energy: 0.7861474373777398
Energy: 0.8112518951853271
Energy: 0.7989269622186108
Energy: 0.7989280872813737
Energy: 0.7997170692693883
Energy: 0.8677026265289756
Energy: 0.7796115108225427
Energy: 0.7979035877836586
Energy: 0.7987882545575661
Energy: 0.8431283696665859
Energy: 0.8070124625134047
Energy: 0.7999298075515211
Energy: 0.7968488947367146
Energy: 0.7956966390319299
Energy: 0.8017666931841368
Energy: 0.7829560147045508
Energy: 0.7800295056335925
Energy: 0.7918488607711806
Energy: 0.7982385917751873
Energy: 0.7607686445986112
Energy: 0.8003109426907931
Energy: 0.827895644484444
Energy: 0.8245759411784006
Energy: 0.8286603550313383
Energy: 0.7948150488027572
Energy: 0.7984571690674708
Energy: 0.8277567936461285
Energy: 0.8220871139161344
Energy: 0.8250408594067512
Energy: 0.7905365691806441
Energy: 0.8244234717396437
Energy: 0.7894485007277242
Energy: 0.8230842164733628
Energy: 0.833642799408052
Energy: 0.887398157179226
Energy: 0.8260965457129639
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Energy: 0.8172126219429259
Energy: 0.7528596696923829
Energy: 0.7532575251970182
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Energy: 0.7492091211726173
Energy: 0.77591640231619
Energy: 0.7860263454534003
Energy: 0.7919599451523132
Energy: 0.7699407338092813
Energy: 0.790642216229982
Energy: 0.761552090941692
Energy: 0.757007161321807
Energy: 0.7761699900389704
Energy: 0.9390526366915107
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Energy: 0.786158884358336
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Energy: 0.7953266848009956
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Energy: 0.7828093275031224
Energy: 0.8687672800740338
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Energy: 0.789077102912964
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Energy: 0.7657342418308964
Energy: 0.8564610939851356
Energy: 0.7601005412502645
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Energy: 0.7837359106494208
Energy: 0.7481529135778848
Energy: 0.7825784731487675
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Energy: 0.7758613488608092
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Energy: 0.7851747877898416
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Energy: 0.7775887560224949
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Energy: 0.7900219578128761
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Energy: 0.8084284395510298
Energy: 0.7826609197865446
Energy: 0.8065624203715867
Energy: 0.8026111150465239
Energy: 0.7912052948206103
Energy: 0.7993622213412674
Energy: 0.7638552037566574
Energy: 0.7812572207433149
Energy: 0.7684912385576385
Energy: 0.7699053143901983
Energy: 0.8271644806583247
Energy: 0.8026935618744856
Energy: 0.8046690730085074
Energy: 0.7993858284452753
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Energy: 0.7685657039137752
Energy: 0.8200138627745501
Energy: 0.7797232287789592
Energy: 0.8315041044741941
Energy: 0.8283886129280686
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Energy: 0.8007830555470258
Energy: 0.8376307468731456
Energy: 0.795020396436497
Energy: 0.7817089059480512
Energy: 0.7817345116001767
Energy: 0.7999998622709661
Energy: 0.8200757579842631
Energy: 0.7997614353941457
Energy: 0.8184721736876893
Energy: 0.8222622963883545
Energy: 0.8065840198584305
Energy: 0.7837179888503631
Energy: 0.7691988504063836
Energy: 0.815811025285743
Energy: 0.8106512039771273
Energy: 0.7521206095909868
Energy: 0.7804017833544743
Energy: 0.8532798053914017
Energy: 0.8144165943293341
Energy: 0.7512319334917809
Energy: 0.8051025872632461
Energy: 0.8171668461393838
Energy: 0.7876320492349207
Energy: 0.7867529123000581
Energy: 0.8145946156142054
Energy: 0.8043195705247654
Energy: 0.8118222585940377
Energy: 0.8160252127438044
Energy: 0.7553827493451565
Energy: 0.7902769690953578
Energy: 0.7318738776949563
Energy: 0.820167445014813
Energy: 0.8159542439107611
Energy: 0.8144122728597455
Energy: 0.8292831112959533
Energy: 0.7911600164317505
Energy: 0.8149176663987648
Energy: 0.7832863864834956
Energy: 0.7971554381311137
Energy: 0.7662113573568995
Energy: 0.8194461923260344
Energy: 0.7880950346436391
Energy: 0.8181201020078581
Energy: 0.7949040267210279
Energy: 0.793240606555894
Energy: 0.8138153405930808
Energy: 0.8242844241467973
Energy: 0.7288552669705594
Energy: 0.7300999008535867
Energy: 0.7911474429481067
Energy: 0.7495271754287737
Energy: 0.8420183111682857
Energy: 0.7976829786923209
Energy: 0.7943656386305357
Energy: 0.7272524065091895
Energy: 0.7481590655417307
Energy: 0.77674529996857
Energy: 0.7611951103871569
Energy: 0.7337564448031157
Energy: 0.7670411468390085
Energy: 0.7487753284081041
Energy: 0.7761652297653581
Energy: 0.7689898280203732
Energy: 0.7966751268488961
Energy: 0.7878385805564787
Energy: 0.7440237543761091
Energy: 0.8245277859322563
Energy: 0.7693840572618914
Energy: 0.7350269345981693
Energy: 0.730941912130749
Energy: 0.7685077185139385
Energy: 0.796606041446342
Energy: 0.7884744082891709
Energy: 0.7330958205972793
Energy: 0.7997559123152167
Energy: 0.791652917794593
Energy: 0.7488968738787132
Energy: 0.7902113977610155
Energy: 0.8074536541007022
Energy: 0.7289687701395832
Energy: 0.7532601362589423
Energy: 0.7478798467192569
Energy: 0.7721249414541209
Energy: 0.7686297669466777
Energy: 0.785575985820697

minimum gb energy = 0.7272524065091895 eV
minimum distance =  2.33346911174239 Angstroms
sigma value = 185


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

Energy: 0.32632846488266415
Energy: 0.3291514649873995
Energy: 0.3485926465710647
Energy: 0.3542470556411744
Energy: 0.32885578209941796
Energy: 0.32713176695980106
Energy: 0.3656090687700678
Energy: 0.36964225305317766
Energy: 0.35258538121976213
Energy: 0.32819127313937074
Energy: 0.3461939199292525
Energy: 0.3524582333227931
Energy: 0.3681075370276844
Energy: 0.3628238854108835
Energy: 0.34335637580353595
Energy: 0.3544534672248949
Energy: 0.34833323254908793
Energy: 0.3682602660448921
Energy: 0.3618805121237659
Energy: 0.3450984221504889
Energy: 0.3475403724069011
Energy: 0.3655593490933669
Energy: 0.3661133044052254
Energy: 0.3448879881937089
Energy: 0.3312427080024899
Energy: 0.3474062013729471
Energy: 0.36651478497300194
Energy: 0.3654327723708578
Energy: 0.34612991216390226
Energy: 0.3300168066562482
Energy: 0.3272723244938444
Energy: 0.40311228298905477
Energy: 0.34954815856666077
Energy: 0.35145853900531054
Energy: 0.3300879282246911
Energy: 0.32735593849999256
Energy: 0.40337779395923107
Energy: 0.34848212975729637
Energy: 0.35316409798232967
Energy: 0.330246487369237
Energy: 0.347717625806731
Energy: 0.36893425694321763
Energy: 0.3688883047433027
Energy: 0.36676033247170825
Energy: 0.36343144368801383
Energy: 0.34835066727132424
Energy: 0.3689438022209088
Energy: 0.36723139110414466
Energy: 0.3666870191061188
Energy: 0.36349638414365326
Energy: 0.34967090591591604
Energy: 0.34527886701939675
Energy: 0.3973043186618669
Energy: 0.3283128427544225
Energy: 0.34520933444363366
Energy: 0.35392709633337877
Energy: 0.3455209732234694
Energy: 0.39755064482071506
Energy: 0.33312244318062223
Energy: 0.3306001146679837
Energy: 0.4024706342834059
Energy: 0.36690286185885373
Energy: 0.34706956039911024
Energy: 0.3289775097068814
Energy: 0.33072799603706937
Energy: 0.40203265961944185
Energy: 0.36692165019016026
Energy: 0.3477205373786765
Energy: 0.3288414287215882
Energy: 0.3649710875346035
Energy: 0.3500536238481436
Energy: 0.35149992727028484
Energy: 0.34669060455653
Energy: 0.3647362515570428
Energy: 0.4011422704313409
Energy: 0.3712637235077161
Energy: 0.3511608538122391
Energy: 0.34696205912962735
Energy: 0.3633985894043546
Energy: 0.3628789075598402
Energy: 0.3680718038842041
Energy: 0.34370848248118263
Energy: 0.32711863693209947
Energy: 0.328129967509872
Energy: 0.34951027136085566
Energy: 0.36751310382548813
Energy: 0.34301082359388313
Energy: 0.3318983670558504
Energy: 0.3284865153962041
Energy: 0.3494704018948861
Energy: 0.3667707457438182
Energy: 0.36266787431102154
Energy: 0.3379137757949917
Energy: 0.35005240346355715
Energy: 0.36942474348911375
Energy: 0.3664787070444362
Energy: 0.36408252101917943
Energy: 0.34158620362363273
Energy: 0.3485246591238301
Energy: 0.3696647163537918
Energy: 0.34757388980471193
Energy: 0.353805067392407
Energy: 0.3373836901406499
Energy: 0.365454628692122
Energy: 0.3695328534257298
Energy: 0.3467544229944219
Energy: 0.3293453903263702
Energy: 0.3462185814994074
Energy: 0.3638911071803332
Energy: 0.35122708714914225
Energy: 0.35327648639680803
Energy: 0.3287911626574907
Energy: 0.3270829970665013
Energy: 0.36677396793659
Energy: 0.350660795623827
Energy: 0.34844090586809084
Energy: 0.3283285379803802
Energy: 0.32717637356048557
Energy: 0.3673212683299565
Energy: 0.3514115565028138
Energy: 0.36238126647546715
Energy: 0.3453592424304973
Energy: 0.3467989988871299
Energy: 0.34797519501640733
Energy: 0.3478922996819278
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Energy: 0.3478567272592393
Energy: 0.3689271250742444
Energy: 0.32875781928902925
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Energy: 0.3470199959661287
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Energy: 0.40225660486949405
Energy: 0.32884363996544724
Energy: 0.3290609243458642
Energy: 0.3471861773407235
Energy: 0.34663933006889064
Energy: 0.40126136355119685
Energy: 0.3299096749431686
Energy: 0.3286125793589714
Energy: 0.39891532176849837
Energy: 0.36690159120933247
Energy: 0.3680177403035148
Energy: 0.3449207029100395
Energy: 0.32855169680195495
Energy: 0.39807707962368943
Energy: 0.3673180783943456
Energy: 0.36215834730837065
Energy: 0.34564773895228124
Energy: 0.39956459256402854
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Energy: 0.3488332806806747
Energy: 0.3477300543779729
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Energy: 0.39885247541534363
Energy: 0.34830592157536466
Energy: 0.34831931209691214
Energy: 0.3471579830826815
Energy: 0.3290421643672247
Energy: 0.3682333662967817
Energy: 0.36805901270212754
Energy: 0.36953614830804604
Energy: 0.3272971136737365
Energy: 0.32927165096803196
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Energy: 0.368202605594412
Energy: 0.36848328064037805
Energy: 0.3271927925603206
Energy: 0.3442623447962507
Energy: 0.3687337225983484
Energy: 0.4019336144064694
Energy: 0.3639230105072512
Energy: 0.3471186360910548
Energy: 0.3438562588861403
Energy: 0.36833985042067
Energy: 0.3667614559680661
Energy: 0.36323367801884293
Energy: 0.3465847362877441
Energy: 0.3651001001769837
Energy: 0.40236888539388654
Energy: 0.3461921052101578
Energy: 0.34836676261902866
Energy: 0.3309972518988863
Energy: 0.3654873087215416
Energy: 0.3659563174285354
Energy: 0.3468446514591943
Energy: 0.3523748823137005
Energy: 0.3455967969569718
Energy: 0.3279071512951949
Energy: 0.3504126290050476
Energy: 0.3489315269082444
Energy: 0.3470617442657444
Energy: 0.32686349458538566
Energy: 0.3283852786497506
Energy: 0.3480322810431886
Energy: 0.3538622177742632
Energy: 0.3305920932976698
Energy: 0.3264571580127481
Energy: 0.3530714719587935
Energy: 0.3971719718904266
Energy: 0.36500259215557157
Energy: 0.36626099103153303
Energy: 0.3680202347039433
Energy: 0.3516799452786541
Energy: 0.36726990411715094
Energy: 0.3639550538760731
Energy: 0.3668408249520962
Energy: 0.3485049676582476
Energy: 0.3663470659219615
Energy: 0.36590483875804897
Energy: 0.3431096105937947
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Energy: 0.32948279235956324
Energy: 0.3666188332879374
Energy: 0.4029891243227121
Energy: 0.3434926826892839
Energy: 0.3299789717836561
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Energy: 0.4019334022402864
Energy: 0.34717112452445026
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Energy: 0.33446643783030633
Energy: 0.3273690880751269
Energy: 0.40341622504154645
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Energy: 0.3507691230841791
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Energy: 0.32732858268416654
Energy: 0.3682685384825468
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Energy: 0.40334882809036177
Energy: 0.34739134908516023
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Energy: 0.344722273830188
Energy: 0.3657450897135719
Energy: 0.3485589815980464
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Energy: 0.32784675098065347
Energy: 0.3307982315296356
Energy: 0.3541957982563129
Energy: 0.34720256699259755
Energy: 0.39768404764131715
Energy: 0.32791955594318495
Energy: 0.34479629088332053
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Energy: 0.3666168978050466
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Energy: 0.3437713453923301
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Energy: 0.4020466915298285
Energy: 0.36672380671477955
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Energy: 0.3297337359491188
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Energy: 0.4030299709959676
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Energy: 0.3474826092020518
Energy: 0.36723723559111576
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Energy: 0.3527916360777348
Energy: 0.348091170442882
Energy: 0.36733309545559856
Energy: 0.399158740729035
Energy: 0.35028228115909643
Energy: 0.3462097253656687
Energy: 0.3273653843952387
Energy: 0.3316596205191975
Energy: 0.35483165681053064
Energy: 0.36783175348622726
Energy: 0.34552482031191856
Energy: 0.3271838462247393
Energy: 0.3276386137819018
Energy: 0.35011743544059865
Energy: 0.3676305810920836
Energy: 0.36143724653130255
Energy: 0.34599361926222316
Energy: 0.32933838795330383
Energy: 0.34995886683993394
Energy: 0.36703893345271865
Energy: 0.36179402151642054
Energy: 0.3564630709717648
Energy: 0.349998183079822
Energy: 0.35075799167916194
Energy: 0.3668039737612857
Energy: 0.35293667556492525
Energy: 0.3455242490199845
Energy: 0.34459661616242726
Energy: 0.3659452463683922
Energy: 0.36576411034720946
Energy: 0.3520840085223842
Energy: 0.34538091902711743
Energy: 0.3474391139255536
Energy: 0.40299202344772606
Energy: 0.34916709122584716
Energy: 0.346496731598989
Energy: 0.330894217093956
Energy: 0.3651355191993128
Energy: 0.36799780153836387
Energy: 0.3512720230318329
Energy: 0.32941299727325485
Energy: 0.33123814914445887
Energy: 0.36622304913905446
Energy: 0.36931606652440013
Energy: 0.35236388205018015
Energy: 0.3664698435984461
Energy: 0.367531638220654
Energy: 0.3486618196114163
Energy: 0.34960305893136856
Energy: 0.3631727996278564
Energy: 0.36672249704491744
Energy: 0.3472233711411773
Energy: 0.34854857996119565
Energy: 0.34964017204504566
Energy: 0.36304417026441227
Energy: 0.33364629175800875
Energy: 0.34758540025550705
Energy: 0.3473038812098167
Energy: 0.3630036294301737
Energy: 0.363748561567109
Energy: 0.3335703630881111
Energy: 0.3473454402678173
Energy: 0.3466415229346788
Energy: 0.40244008873248466
Energy: 0.3287386012440454

minimum gb energy = 0.32632846488266415 eV
minimum distance =  2.41216016602666 Angstroms
sigma value = 33


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

Energy: 0.7318249717657562
Energy: 0.6901271511090202
Energy: 0.7091722329746791
Energy: 0.7123911613782976
Energy: 0.6786652583924655
Energy: 0.6761616364896305
Energy: 0.6855372814404906
Energy: 0.7161407334166547
Energy: 0.7012287191591053
Energy: 0.6855869385023875
Energy: 0.6883372098657733
Energy: 0.7246249285258946
Energy: 0.7034924021377281
Energy: 0.6948411963391314
Energy: 0.7063961705020438
Energy: 0.68150422654312
Energy: 0.71814532410941
Energy: 0.7193860301413987
Energy: 0.694101875598497
Energy: 0.7153737828838242
Energy: 0.6957709670105195
Energy: 0.6984288815554822
Energy: 0.6971254980458
Energy: 0.7151774464712821
Energy: 0.6837783006733261
Energy: 0.687664728665592
Energy: 0.6998428795759951
Energy: 0.6988988432591796
Energy: 0.7221817827131927
Energy: 0.6832733434390443
Energy: 0.7273074059296813
Energy: 0.7205652531488332
Energy: 0.7073444370392679
Energy: 0.6929779003817762
Energy: 0.6894124496534707
Energy: 0.7282086183474478
Energy: 0.7120270406495444
Energy: 0.6982345993907656
Energy: 0.7091733940389118
Energy: 0.7030767092286988
Energy: 0.7031916893078398
Energy: 0.6965634661012681
Energy: 0.7126917944394241
Energy: 0.6956006511224802
Energy: 0.6779498218271268
Energy: 0.7080864487455403
Energy: 0.7168390087364573
Energy: 0.7121644187486328
Energy: 0.6960705802371738
Energy: 0.6948791466032791
Energy: 0.7058101495897541
Energy: 0.7032745337098474
Energy: 0.7690908965293157
Energy: 0.7004827582009099
Energy: 0.6860056380000985
Energy: 0.7075663834386435
Energy: 0.7080036235086601
Energy: 0.7380387332710334
Energy: 0.6999505334568852
Energy: 0.6854616341825163
Energy: 0.6903760967215212
Energy: 0.7022148670349166
Energy: 0.6973799361175073
Energy: 0.7012857899600312
Energy: 0.6969740420631045
Energy: 0.767304394534149
Energy: 0.7027914209909301
Energy: 0.697089065637387
Energy: 0.6995551377755519
Energy: 0.7165521241377522
Energy: 0.6965125807607687
Energy: 0.7071078402272748
Energy: 0.6928311690962807
Energy: 0.7085193106331168
Energy: 0.695449142837743
Energy: 0.6965636851043089
Energy: 0.7082951413925759
Energy: 0.6923100166461065
Energy: 0.7091289771540282
Energy: 0.6957078066755454
Energy: 0.6955161922797716
Energy: 0.7148521706987158
Energy: 0.6851387963255757
Energy: 0.6871603623497845
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Energy: 0.6868515262142354
Energy: 0.7199229662717319
Energy: 0.715564093984465
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Energy: 0.6932766995898888
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Energy: 0.697023242667627
Energy: 0.6957386827944669
Energy: 0.6996193809900838
Energy: 0.6920479305759734
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Energy: 0.6990609228351404
Energy: 0.7226107989767363
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Energy: 0.7117968649239222
Energy: 0.6989994039980696
Energy: 0.6791360440932207
Energy: 0.6991575979880688
Energy: 0.7241802756967026
Energy: 0.6863819552423948
Energy: 0.702353140777721
Energy: 0.6994261475182997
Energy: 0.7000630074233474
Energy: 0.6921183951528084
Energy: 0.6866107593053544
Energy: 0.7042162256211574
Energy: 0.7035332427708082
Energy: 0.6964770709017156
Energy: 0.6969049515992733
Energy: 0.6963972309192018
Energy: 0.6943143576999726
Energy: 0.7281786704745037
Energy: 0.7151832214527001
Energy: 0.6869274087732281
Energy: 0.6824295508151128
Energy: 0.6785386818683228
Energy: 0.7350993768753252
Energy: 0.6914367873013119
Energy: 0.6967793304965546
Energy: 0.6846708866365643
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Energy: 0.7221792456436152
Energy: 0.7104751405335497
Energy: 0.6821306909363687
Energy: 0.6741073502169598
Energy: 0.6863850374403363
Energy: 0.703124640122879
Energy: 0.7242488675304849
Energy: 0.7003250275829368

minimum gb energy = 0.6741073502169598 eV
minimum distance =  2.31761635384971 Angstroms
sigma value = 219


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

Energy: 0.8987176678308193
Energy: 0.893545993786994
Energy: 0.9032437674880647
Energy: 0.9028448329995311
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Energy: 0.8897564593779917
Energy: 0.9114577840498848
Energy: 0.9112218156622456
Energy: 0.8913777200565852
Energy: 0.887723117492835
Energy: 0.9098150365622907
Energy: 0.8997232236719389
Energy: 0.9054926643015403
Energy: 0.8912424885422323
Energy: 0.8879546359729982
Energy: 0.908218323260468
Energy: 0.8997082612999207
Energy: 0.9279423384893773
Energy: 0.9245166312528871
Energy: 0.8918905880769505
Energy: 0.9037147162530296
Energy: 0.8992468579460487
Energy: 0.9068002437947209
Energy: 0.9244039990879144
Energy: 0.8922472316447818
Energy: 0.9024898372742458
Energy: 0.8936847102514035
Energy: 0.8998077277389683
Energy: 0.9030940555889365
Energy: 0.8701190992153787
Energy: 0.9001430334631919
Energy: 0.8976721064180174
Energy: 0.900108191984932
Energy: 0.8754800784630036
Energy: 0.8699268108531147
Energy: 0.9002238269125998
Energy: 0.9132720598472193
Energy: 0.9018202754228816
Energy: 0.9029301985854715
Energy: 0.9015589224927177
Energy: 0.9189843983018892
Energy: 0.9009407711860355
Energy: 0.9013208587620277
Energy: 0.9052294548176892
Energy: 0.901053356742327
Energy: 0.9185968718016488
Energy: 0.9123799150395719
Energy: 0.8722808107923272
Energy: 0.8994651611635461
Energy: 0.9117474157170381
Energy: 0.9014513908195965
Energy: 0.9038651579237755
Energy: 0.8978986613446474
Energy: 0.8991364384155389
Energy: 0.9114458914050639
Energy: 0.918856383010756
Energy: 0.9040522852761605
Energy: 0.9110886623001998
Energy: 0.8991504114734435
Energy: 0.8920937999556265
Energy: 0.9067588986359952
Energy: 0.9008919041128249
Energy: 0.9121344213929795
Energy: 0.8999820097095633
Energy: 0.9234509513147825
Energy: 0.9061587378472706
Energy: 0.9024506766983698
Energy: 0.8946075738053118
Energy: 0.9113564864833751
Energy: 0.8895612922526722
Energy: 0.8909493912252323
Energy: 0.9037588459647183
Energy: 0.8959318984885877
Energy: 0.9117911777712455
Energy: 0.8900540326292526
Energy: 0.8920673779804592
Energy: 0.9018108147994037

minimum gb energy = 0.8699268108531147 eV
minimum distance =  2.33934661064121 Angstroms
sigma value = 15


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

Energy: 1.5509894046584956
Energy: 1.015443469804352
Energy: 1.0261025065092388
Energy: 1.0153801158289593
Energy: 1.0713444247164337
Energy: 0.9995017953249619
Energy: 1.022498127719413
Energy: 1.028981448669664
Energy: 1.0130721969739045
Energy: 1.0370175984184584
Energy: 1.0278278222388288
Energy: 1.0133759728744218
Energy: 1.0142939615700308
Energy: 1.0137656805510855
Energy: 1.0177700584181408
Energy: 1.0228146643839213
Energy: 1.014672581830827
Energy: 1.0110426796016407
Energy: 1.0161040421286938
Energy: 1.0265146385611332
Energy: 1.0387426184045307
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minimum gb energy = 0.9864365500967327 eV
minimum distance =  2.32391055599734 Angstroms
sigma value = 293


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

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Energy: 1.0260274089154877
Energy: 1.0414170742327389
Energy: 1.0293477816378591
Energy: 1.0305531418523817
Energy: 1.019834921035642
Energy: 1.0254336101095614
Energy: 1.0417704375238257
Energy: 1.0034703530406073
Energy: 1.0293189508556886
Energy: 1.077449124990169
Energy: 1.0024884697753345
Energy: 1.0408484956603106
Energy: 1.0032719974499096
Energy: 1.0311390436092573
Energy: 1.0766316756744918
Energy: 1.0032286441549703
Energy: 1.0168044322233012
Energy: 1.015540448919763
Energy: 1.0457066296386441
Energy: 1.0024480925064079
Energy: 1.0093761024816503
Energy: 1.04243772252567
Energy: 1.015347636146361
Energy: 1.0474863834683759
Energy: 1.0114098791264192
Energy: 1.0157879074812723
Energy: 1.0418956330768163
Energy: 0.9767882236611036
Energy: 1.0210718443591393
Energy: 1.0037895138797215
Energy: 1.0014525770835565
Energy: 1.0237338891585817
Energy: 0.9766504337389784
Energy: 1.0194581151812558
Energy: 1.0027992558110077
Energy: 1.0028220067796911
Energy: 1.0191667966622444
Energy: 1.0008757987671728
Energy: 0.9996893442087306
Energy: 0.9994700445972479
Energy: 1.007127240755805
Energy: 1.002104035810542
Energy: 1.0007437167488777
Energy: 0.999922883352635
Energy: 1.001991286325946
Energy: 1.0077042436492973
Energy: 1.00583113702551
Energy: 1.0205200695589047
Energy: 0.9998987697105928
Energy: 1.001433221428626
Energy: 1.0560832170044319
Energy: 1.0382564750825047
Energy: 1.0229458429499463
Energy: 0.9998801057658819
Energy: 1.001147088768288
Energy: 1.055656596318621
Energy: 1.0045301890542309
Energy: 1.058002829129332
Energy: 0.9789717274239798
Energy: 0.9800155269820119
Energy: 1.032558919602693
Energy: 1.0361048469403895
Energy: 1.062337252447123
Energy: 0.9785719275325546
Energy: 0.9802616218018635
Energy: 1.004356771786455
Energy: 1.0388428272505692
Energy: 1.028910133612219
Energy: 0.9812457905315627
Energy: 1.0278289614579812
Energy: 1.003028274455131
Energy: 1.0031166439816424
Energy: 1.0299625594711794
Energy: 0.9808671932833002
Energy: 1.0540466700740347
Energy: 1.0018775731932743
Energy: 1.0055350283323754
Energy: 0.9996943238473605
Energy: 1.0051803084462252
Energy: 1.015145598528403
Energy: 1.004658740980439
Energy: 1.00037804405482
Energy: 0.9999606381598201
Energy: 1.000865124402837
Energy: 1.0146831141940196
Energy: 1.0028697823135806
Energy: 1.0003451142278772
Energy: 0.9975222465079513
Energy: 0.9971071161015291
Energy: 1.0216195821409606
Energy: 1.0004976901795875
Energy: 1.0275860682440694
Energy: 0.9980708630548024
Energy: 0.9977444833217568
Energy: 1.0223116946847557
Energy: 1.000204819971054
Energy: 1.0282741736061314
Energy: 1.0434754321729234
Energy: 1.019681517777691
Energy: 1.0436989455945662
Energy: 1.0274870467455162
Energy: 1.0355910395498165
Energy: 1.0028497191315637
Energy: 1.0413520880864473
Energy: 1.0443433879991137
Energy: 1.0278509086196437
Energy: 1.0148258458952761
Energy: 1.025838862018713
Energy: 1.009761646187477
Energy: 1.0409721010485093
Energy: 1.030238017808705
Energy: 1.0479173727825284
Energy: 1.0284834817961535
Energy: 1.0426334526981347
Energy: 1.0416640533961625
Energy: 1.028178695845078
Energy: 1.0072360679683836
Energy: 1.0082462999553632
Energy: 1.0117153575718785
Energy: 1.0625650764998618
Energy: 1.0173406057957874
Energy: 1.0024022015062701
Energy: 1.0072314451747957
Energy: 1.0121941283237532
Energy: 1.0120810518014578
Energy: 1.0230003672295813
Energy: 1.002784705034255
Energy: 1.0006917461402953
Energy: 1.0169464543330684
Energy: 0.9768726642090235
Energy: 0.9778754425184591
Energy: 1.0065321564730267
Energy: 0.9996774845575844
Energy: 1.0196004124462372
Energy: 0.976701468708672
Energy: 0.9766151412190971
Energy: 1.0063130968884755
Energy: 1.005410381917544
Energy: 1.0099416994559152
Energy: 1.0136655033289987
Energy: 1.0019831046099026
Energy: 1.0032390383212175
Energy: 1.0055763077018027
Energy: 1.0113049586713359
Energy: 1.0401540883906475
Energy: 1.0021275733361985
Energy: 1.0026826603449257
Energy: 1.0324044329665771
Energy: 1.002105197095206
Energy: 1.0078331831737797
Energy: 1.0301616279812242
Energy: 1.003021446311719
Energy: 1.0320881506863735
Energy: 1.001330666595244
Energy: 0.9985882191203551
Energy: 1.0300949979803484
Energy: 1.0063162060689461
Energy: 0.979976556019181
Energy: 1.0074595585038646
Energy: 1.0248317902232942
Energy: 1.0069068740469558
Energy: 0.980492348629392
Energy: 1.0216279941327182
Energy: 1.0020689242093281
Energy: 1.0466376620994953
Energy: 1.0558140426864784
Energy: 0.9847192037820022
Energy: 1.0535916053458536
Energy: 0.9995626157542444
Energy: 0.9991243348517108
Energy: 1.0460459530698372
Energy: 1.054279116846235
Energy: 1.056658588221221
Energy: 0.9994697473541995
Energy: 0.9996114918553719
Energy: 1.0018714437785194
Energy: 0.9805895274613304
Energy: 1.011003824690853
Energy: 1.0032225058985607
Energy: 1.0016105973990588
Energy: 1.0418136620141585
Energy: 1.0035565112870675
Energy: 1.0096717221975542
Energy: 1.0048713298675385
Energy: 1.0008391146197304
Energy: 1.0174588399191644
Energy: 1.0282788575182173
Energy: 1.0034721121830947
Energy: 1.02820299628672
Energy: 1.0222882677646872
Energy: 0.9974789476268213
Energy: 0.9979676132702526
Energy: 1.002628905040856
Energy: 1.0302404882798626
Energy: 1.0204076856952937
Energy: 0.9969643441988577
Energy: 0.9975779953955862
Energy: 1.0024889414264595
Energy: 1.028009533694239
Energy: 1.0719867515973522
Energy: 1.003225183162676
Energy: 1.0408321420032154
Energy: 1.0369547794172589
Energy: 1.0307775006094186
Energy: 1.0611546290980554
Energy: 1.0128978708315741
Energy: 1.0412412188872846
Energy: 1.0027500127978959
Energy: 1.0282177587677908
Energy: 1.086532750656692
Energy: 1.002533898149569
Energy: 1.041124880640794
Energy: 1.0038630166130278
Energy: 1.029317772967235
Energy: 1.0798240841768791
Energy: 1.0028278231094705
Energy: 1.0406696830645465
Energy: 0.9770165088007086
Energy: 1.0623534260137222
Energy: 1.0020906717633455
Energy: 1.0061028309821227
Energy: 1.043701735578151
Energy: 1.0270615291380343
Energy: 1.0201438396313582
Energy: 1.0023840133108193
Energy: 1.0067728858047433
Energy: 1.0293389122748753

minimum gb energy = 0.9765639721748992 eV
minimum distance =  2.2952644275981 Angstroms
sigma value = 293


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

Energy: 0.9676675873398412
Energy: 0.9735128625344821
Energy: 1.054435690087394
Energy: 0.9871573983754509
Energy: 0.9718864709742593
Energy: 0.9675355579591188
Energy: 0.9894067699666383
Energy: 1.054186426050634
Energy: 0.9880768742367112
Energy: 0.9710642141337249
Energy: 0.9687596384515624
Energy: 0.9805876050902695
Energy: 0.9792805968284086
Energy: 0.9789629795773097
Energy: 0.9809020861687837
Energy: 1.0410720176562192
Energy: 0.9808421823585387
Energy: 0.9707729660683476
Energy: 0.9801748881576398
Energy: 0.9814691994569779
Energy: 0.9837099022648922
Energy: 0.9808634044274499
Energy: 0.9826476156877441
Energy: 0.9889988282704846
Energy: 1.0422400423991778
Energy: 0.9816243044772568
Energy: 0.9801918163038923
Energy: 0.9813035847678904
Energy: 1.056463572136584
Energy: 1.0422356381972986
Energy: 1.057672355301347
Energy: 0.9688121391136084
Energy: 0.9698848977601403
Energy: 0.9807315969329503
Energy: 1.0636071671280434
Energy: 1.056548813960973
Energy: 0.9686028847919639
Energy: 0.9704488825436139
Energy: 0.9822580907973868
Energy: 0.9681919837592456
Energy: 0.9827743236624067
Energy: 0.9703846922875853
Energy: 0.9682198785834704
Energy: 0.9837289553671074
Energy: 0.9824373059107708
Energy: 0.9810943685623718
Energy: 0.9722869449141185
Energy: 0.9680016375891306
Energy: 0.9808477259268332
Energy: 0.9805827164552501
Energy: 0.9806624320180508
Energy: 1.0577262697663803
Energy: 0.9911609148993389
Energy: 0.9817299443947066
Energy: 0.9716925580618392
Energy: 0.9813453905353828
Energy: 1.055143365409013
Energy: 0.9891401545409312
Energy: 0.9845482968562541
Energy: 0.9741171487895637
Energy: 1.0581862740533836
Energy: 0.9683101147940868
Energy: 0.9802756176766191
Energy: 0.9809169315320978
Energy: 0.9810349749850465
Energy: 0.9894985709055293
Energy: 0.9670510574764275
Energy: 0.9802073672633375
Energy: 0.9806727051101406
Energy: 0.9807258023738685
Energy: 0.9824576883342047
Energy: 1.0383005041275355
Energy: 0.9889842798701943
Energy: 0.9682988973995934
Energy: 0.9704802160506504
Energy: 0.9854395982837216
Energy: 1.0380039596576378
Energy: 0.9870192622575718
Energy: 0.9687041271057182
Energy: 0.9709408994728574
Energy: 0.9806500514179516
Energy: 0.9720326719349015
Energy: 0.9792791616983446
Energy: 0.9690975438413406
Energy: 1.0420024576554126
Energy: 0.9801503683115895
Energy: 0.979592952139049
Energy: 0.9792763046556942
Energy: 0.9684492972035567
Energy: 1.046464122872944
Energy: 0.9850998943568793
Energy: 0.9839323490256596
Energy: 1.0385521860204827
Energy: 1.057855494508567
Energy: 0.9870130427277928
Energy: 0.9945464507542632
Energy: 0.986017329157265
Energy: 1.0390003053863623
Energy: 0.9878655340178336
Energy: 0.9816185552717746
Energy: 0.9689639583684097
Energy: 0.9883216475076849
Energy: 0.9812619675397377
Energy: 0.9847757403902383
Energy: 1.0440664948539837
Energy: 0.9693119492727399
Energy: 0.9832405506167964
Energy: 0.9667343150792093
Energy: 0.9869719781294016
Energy: 1.0438812211414694
Energy: 0.9678258150324417
Energy: 0.9879557750753597
Energy: 1.0532863992861698
Energy: 0.987390533386004
Energy: 0.9721745660807457
Energy: 0.9681551424648703
Energy: 0.9892983317054401
Energy: 1.0560775749356615
Energy: 0.9882887443258969
Energy: 0.9711330966129912
Energy: 1.042632987672838
Energy: 0.9805066654946539
Energy: 0.9791538198044887
Energy: 0.9789952457598923
Energy: 0.9808248029104393
Energy: 1.0416237483157391
Energy: 0.9808403527508776
Energy: 0.9720798428765027
Energy: 0.97974216644994
Energy: 0.9815449309787959
Energy: 0.9848126500302948
Energy: 0.981536302573349
Energy: 0.9828729741656622
Energy: 1.0574625338617787
Energy: 1.0421103107147685
Energy: 0.9818427211896075
Energy: 0.9805966573689328
Energy: 0.9813458831434893
Energy: 1.0552857573498389
Energy: 1.0423136125659394
Energy: 1.0586428328043238
Energy: 0.968726502557136
Energy: 0.9697489655925872
Energy: 0.9803557205002378
Energy: 1.065028696970732
Energy: 1.0570092318727733
Energy: 0.9685149224763273
Energy: 0.9709619809362098
Energy: 0.9816996937555892
Energy: 1.042344069803174
Energy: 0.9828616566946567
Energy: 0.9705524120425066
Energy: 0.9682299105594422
Energy: 0.9822725870015059
Energy: 0.9850923797671105
Energy: 0.9812103487062492
Energy: 0.9703541142480698
Energy: 0.9680407228219503
Energy: 0.980816439010213
Energy: 0.9809593993336213
Energy: 0.9806428109641006
Energy: 1.0578345018685364
Energy: 0.9918069792922367
Energy: 0.9816655887193694
Energy: 0.9715072490472552
Energy: 0.9812645258401651
Energy: 1.0558080509678522
Energy: 0.9893171176875956
Energy: 0.9836390542250858
Energy: 0.9734815847888719
Energy: 1.0577857540681916
Energy: 0.9684207612625158
Energy: 0.9802649711119122
Energy: 0.9811022685103813
Energy: 0.9818213975108276
Energy: 0.9866616685885405
Energy: 0.9670468388937408
Energy: 0.9809221816542112
Energy: 0.9809225058109939
Energy: 0.9809575356826898
Energy: 0.982281819463527
Energy: 1.0379519245808155
Energy: 0.9895198077330456
Energy: 0.9682963531390272
Energy: 0.9706875437974296
Energy: 0.9849500137823126
Energy: 1.0378341560368833
Energy: 0.9873576222572652
Energy: 0.9686249736781695
Energy: 0.9711409425385062
Energy: 0.9806263327297879
Energy: 0.9723733465501504
Energy: 0.9797096315197763
Energy: 0.9693076155891055
Energy: 1.0438568574636824
Energy: 0.9803006838508288
Energy: 0.9790009992831998
Energy: 0.979620357654841
Energy: 0.9685180370111245
Energy: 0.9822441640071752
Energy: 0.9843026921467668
Energy: 0.9832844332753627
Energy: 1.0378102880993658
Energy: 1.0576606083901416
Energy: 0.9869666410989276
Energy: 0.992991563293858
Energy: 0.9853823224020714
Energy: 1.0404618591270618
Energy: 0.9846082121997735
Energy: 0.9822720551235263
Energy: 0.9687956933965233
Energy: 0.9886052568337165
Energy: 0.9809516535609142
Energy: 0.9835197515465435
Energy: 1.0440664078807131
Energy: 0.9689856962842234
Energy: 0.98193594948976
Energy: 0.966287444844924
Energy: 0.9854565539294157
Energy: 1.0429507911320954

minimum gb energy = 0.966287444844924 eV
minimum distance =  2.31631620127453 Angstroms
sigma value = 15


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

Energy: 0.9586307086039987
Energy: 1.0252877173567707
Energy: 1.0495675631973747
Energy: 0.9825301683013559
Energy: 1.045169580463393
Energy: 0.9786317661947839
Energy: 1.0331899610749264
Energy: 1.039281056438125
Energy: 0.9637791210089016
Energy: 1.018606778940935
Energy: 0.9464026132880656
Energy: 1.0175632413433655
Energy: 1.030603982251681
Energy: 1.028982618172304
Energy: 1.02612005882882
Energy: 0.9468828684559651
Energy: 1.0197559190470338
Energy: 1.0295875921604036
Energy: 1.0338276923784158
Energy: 1.0186488128529632
Energy: 1.0825010580307284
Energy: 0.9884301127145423
Energy: 0.9957560083500298
Energy: 1.0296055937546669
Energy: 0.9895793707621385
Energy: 1.0873761158983788
Energy: 1.0209102623998465
Energy: 1.0257088695834322
Energy: 1.0157292160193718
Energy: 1.0985240275770498
Energy: 1.0436186629519446
Energy: 0.9710373173651902
Energy: 1.029489505058554
Energy: 1.094484416932352
Energy: 1.1114486003483792
Energy: 1.030562742940935
Energy: 0.9604621951910975
Energy: 1.0294539698125502
Energy: 1.0838298252619865
Energy: 1.099551421009388
Energy: 1.1078783546320272
Energy: 1.082412824020701
Energy: 0.9607063437826024
Energy: 0.9627897841287897
Energy: 1.0380674328842276
Energy: 1.0600842825034826
Energy: 1.0832383349658523
Energy: 0.9952591822278974
Energy: 0.9630327363944726
Energy: 0.9469461870925461
Energy: 0.9485278701174498
Energy: 0.9624094968911128
Energy: 0.9620315617483542
Energy: 1.0623973892674918
Energy: 1.1549906649539519
Energy: 0.9670407108773929
Energy: 0.9620701249092675
Energy: 0.962557471979461
Energy: 1.0847354268614957
Energy: 1.1524826225414835
Energy: 0.9649331574020219
Energy: 0.9619888676332637
Energy: 0.9639693318222347
Energy: 0.9914506509998195
Energy: 1.0290364933647287
Energy: 0.9652002191978071
Energy: 0.9618660716878717
Energy: 0.9641647000355857
Energy: 0.9767650559747643
Energy: 1.0897307839322765
Energy: 0.9667752427174326
Energy: 0.9653180234148915
Energy: 0.9699194519200537
Energy: 0.9607505583392356
Energy: 1.0117114328105081
Energy: 0.9653734617390686
Energy: 0.9641149381987902
Energy: 1.009179339978928
Energy: 0.9993990016262808
Energy: 1.053018311490036
Energy: 0.9611948124687448
Energy: 1.1490953800264483
Energy: 1.0083279923238895
Energy: 0.994281037687978
Energy: 0.9630188454488796
Energy: 0.9607928933120218
Energy: 1.1533824109507915
Energy: 1.0155086771672004
Energy: 1.0362974828311258
Energy: 0.9720891912365712
Energy: 1.033648277732653
Energy: 1.0378579571466442
Energy: 0.9714829096909076
Energy: 0.9870892266698263
Energy: 0.9866987898481555
Energy: 1.0229125301423276
Energy: 1.0311985250160234
Energy: 0.9698558614338874
Energy: 0.9888270299652635
Energy: 0.9896122217786482
Energy: 1.0279294647395052
Energy: 0.9625283626829064
Energy: 0.9840946490695901
Energy: 0.984150635241232
Energy: 0.9856715992564483
Energy: 1.0236977865115886
Energy: 0.9756534134973189
Energy: 0.985502286877074
Energy: 0.9847520184034613
Energy: 0.9675615962706919
Energy: 1.1609464334458828
Energy: 1.041037351677843
Energy: 0.991122549846676
Energy: 0.9495213778339858
Energy: 1.0742051677223932
Energy: 1.1506662842299133
Energy: 1.040673238871596
Energy: 0.9495969258154802
Energy: 0.949932050516739
Energy: 1.0234275267590647
Energy: 1.0760827407735742
Energy: 1.002839926678828
Energy: 0.9641961090772488
Energy: 1.061963433506312
Energy: 1.0224214283226314
Energy: 1.0420255697427363
Energy: 1.0238664499028
Energy: 0.9631539412977881
Energy: 1.0678171607156144
Energy: 1.0609802150021708
Energy: 1.0330266118783717
Energy: 1.049680474329057
Energy: 1.08075526934065
Energy: 1.0543828886645925
Energy: 1.0188294940556502
Energy: 1.031296007046287
Energy: 1.0287819519400072
Energy: 0.9431889606401546
Energy: 1.0274167486158876
Energy: 1.0182494571359622
Energy: 0.9650550416621723
Energy: 1.0174031007017994
Energy: 1.1162850231218615
Energy: 1.0321810280266037
Energy: 1.021385361478636
Energy: 0.9823211942824753
Energy: 0.9906991452160957
Energy: 1.1166076627610826
Energy: 1.0068885554996974
Energy: 1.0009763587788236
Energy: 1.1238182480512078
Energy: 1.1193840908641577
Energy: 0.9883062000975493
Energy: 1.0127205751161885
Energy: 0.9930420588414961
Energy: 1.1063242548579255
Energy: 1.1198403421824945
Energy: 0.9885435973200594
Energy: 1.0129223760950985
Energy: 0.9453346523031779
Energy: 0.9458826357957965
Energy: 0.9787485715220645
Energy: 1.0590896900713025
Energy: 1.118979859347608
Energy: 1.0334291113639946
Energy: 0.946690337760118
Energy: 0.9947813268146404
Energy: 1.1356583901984334
Energy: 1.1108525236906954
Energy: 1.0376479572509902
Energy: 1.0315048695397562
Energy: 1.1108588538884618
Energy: 1.1156443669682148
Energy: 1.0054675488517166
Energy: 0.9675008570920661
Energy: 1.0525954396040549
Energy: 1.111620889663211
Energy: 1.115288224393653
Energy: 0.9767541926810779
Energy: 0.9662473912982169
Energy: 0.9670670072014539
Energy: 0.9630979518116172
Energy: 0.9938314296642095
Energy: 0.9708597639674065
Energy: 0.9729136816366245
Energy: 0.9687195409356573
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Energy: 1.034160930370979
Energy: 1.028517321500195
Energy: 0.9647625941173876
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Energy: 0.9640455221701432
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Energy: 1.0430174329371629
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Energy: 1.022353365984605
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Energy: 0.9997528951254294
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Energy: 1.1491509876531005
Energy: 1.0108465710732453
Energy: 0.9553360771131416
Energy: 0.9879852200438959
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Energy: 1.1489227929063897
Energy: 0.9607643632036332
Energy: 1.006046532864449
Energy: 0.9720361056348873
Energy: 0.971963550108052
Energy: 1.0359130033871873
Energy: 0.9944946362257842
Energy: 0.9958340411978192
Energy: 0.9560360040294956
Energy: 1.0050844705501993
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Energy: 0.9670312793090143
Energy: 0.9360764776323159
Energy: 1.0061530489504014
Energy: 1.144290206200041
Energy: 1.1447817363678428
Energy: 1.0532319466104412
Energy: 0.9553495150411809
Energy: 0.9688556384649268
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Energy: 1.0445435107172834
Energy: 1.0491603720809133
Energy: 0.964561004801891
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Energy: 1.023297874126111
Energy: 1.0252628592429347
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Energy: 0.9619508489279416
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Energy: 0.9683360134440856
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Energy: 0.9717168717741912
Energy: 0.995527181329267
Energy: 0.971827573672999
Energy: 0.990725663994636
Energy: 1.0909124213549801
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Energy: 0.9993365598320193
Energy: 0.9656978599422514
Energy: 0.955423431747719
Energy: 1.0928946210373527
Energy: 1.0016958735497332
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Energy: 1.0250425625812678
Energy: 0.9831604933590383
Energy: 0.9699395741989455
Energy: 1.0850297268474505
Energy: 1.059253900138961
Energy: 1.1016104674034777
Energy: 1.1217969713874716
Energy: 0.9570112707511054
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Energy: 1.0154458697473
Energy: 1.1329853173334783
Energy: 1.1309653278263705
Energy: 1.1360130551632792
Energy: 1.08180847337778
Energy: 0.9968527117566731
Energy: 1.0332443655882415
Energy: 1.058929468045709
Energy: 1.1227175665141014
Energy: 0.9900618098009019
Energy: 0.9979883761336779
Energy: 1.0329549862858454
Energy: 1.0170785027149747
Energy: 1.1156085809550105
Energy: 0.964938883545365
Energy: 0.965108890886372
Energy: 1.1356906663741038
Energy: 1.1172883423165094
Energy: 1.130536351871268
Energy: 0.9645584372574636
Energy: 0.9652138217122412
Energy: 1.1343164623419708
Energy: 1.1139863381300565
Energy: 0.9670267897902651
Energy: 0.9686885807388407
Energy: 0.9660588401988448
Energy: 0.9794838980113115
Energy: 1.0573584985844988
Energy: 0.9659262453781536
Energy: 0.9680320047816551
Energy: 0.9652270704568097
Energy: 0.9820248312893077
Energy: 1.0193506223126525
Energy: 0.9689188815148078
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Energy: 0.9717628761150804
Energy: 0.9602519089856748
Energy: 1.059148709027155
Energy: 0.9673507844558042
Energy: 0.9660956861567512
Energy: 0.9708577264084405
Energy: 0.9602002464850589
Energy: 1.0230902463456517
Energy: 1.047011677287259
Energy: 1.0748211527168756
Energy: 1.0304754616708138
Energy: 1.0338418334778754
Energy: 0.9502483769332738
Energy: 0.9975191718777657
Energy: 0.9907561717682455
Energy: 1.0220984100783683
Energy: 0.9941199117170966
Energy: 0.9496294757377771
Energy: 1.0220860851682962
Energy: 0.9478768761467425
Energy: 1.0046633686899573
Energy: 0.950566316703086
Energy: 0.9879420414566242
Energy: 1.0212256281752004
Energy: 0.9470907019845157
Energy: 1.00635342250371
Energy: 0.9518992398376243
Energy: 0.9891374329837246
Energy: 1.0342508096072442
Energy: 0.9699058617766237
Energy: 0.9844759414533811
Energy: 0.9870124003817249
Energy: 0.9864023495387455
Energy: 1.039605030126993
Energy: 0.9762766403251927
Energy: 0.984655642906474
Energy: 0.9880771926046961
Energy: 0.9868098192773508
Energy: 1.1606724643165747
Energy: 1.0232216284428717
Energy: 0.9719577454679114
Energy: 0.9496767926421754
Energy: 1.0200865299328052
Energy: 1.1486596873981938
Energy: 1.0399171787999357
Energy: 0.9485901377713927
Energy: 0.9490939149695704
Energy: 1.0227255801226163
Energy: 1.026076766472984
Energy: 0.9493599421860927
Energy: 0.9622307320460679
Energy: 0.9722533946339939
Energy: 1.0297773615319625
Energy: 1.0270306857901832
Energy: 0.9493871393238582
Energy: 0.9620189676965977
Energy: 1.0015573986643127
Energy: 1.024058171880619
Energy: 1.0290411209652441
Energy: 1.0158650645440235
Energy: 1.0598576062893306
Energy: 1.0087924095493446
Energy: 1.0184565599489983
Energy: 1.0277703224153223
Energy: 1.0532840430657082
Energy: 0.968254361936806
Energy: 0.9933846404729885
Energy: 1.0178489199554557
Energy: 0.9985887556126405
Energy: 0.9993366332896811
Energy: 1.1165506713791302
Energy: 1.0049739627227747
Energy: 1.0236596420367705
Energy: 0.9999399843682816
Energy: 1.0175699765701045
Energy: 1.1157424778571854
Energy: 1.0049008413936427
Energy: 1.0334346506711134
Energy: 1.1108419575953437
Energy: 1.1167797559520847
Energy: 1.1294471153553232
Energy: 1.118377406268043
Energy: 0.9931717598441802
Energy: 1.0855354113537643
Energy: 1.1159835645795904
Energy: 0.9864085717734874
Energy: 1.1174771852686392
Energy: 0.9448870329919925
Energy: 0.9559116692569629
Energy: 1.0857214472857946
Energy: 1.0095769724202728
Energy: 1.0985014185719306
Energy: 0.9941004351018174
Energy: 0.9560787561055749
Energy: 1.0798287144567549
Energy: 1.0095904986022857
Energy: 1.0882067651350975
Energy: 0.9971850792429453
Energy: 1.10953308669238
Energy: 1.1131877017588965
Energy: 1.1112822055016476
Energy: 0.9918938657986847
Energy: 0.9646128131681553
Energy: 1.11038633955545
Energy: 1.1129558229656908
Energy: 1.1304349098398796
Energy: 1.0112801758448322
Energy: 0.9628667064791218
Energy: 0.9642963942517392
Energy: 0.9922527917530789
Energy: 0.9733532648430108
Energy: 0.9635799127641461
Energy: 0.968288950993524
Energy: 0.9656753602962076
Energy: 0.9590654935512022
Energy: 0.9687703185207722
Energy: 0.9659613037862543
Energy: 0.971152475398076
Energy: 0.9710259944741318
Energy: 1.0338618885705608
Energy: 1.0319559093905908
Energy: 0.9621938854930993
Energy: 0.9632144289753597
Energy: 1.0241751642918688
Energy: 1.0345866727868775
Energy: 1.0122604074588155
Energy: 0.961796776540394
Energy: 0.9634209575191853
Energy: 1.0485036982471505
Energy: 0.9604754929143601
Energy: 0.9853618697548858
Energy: 1.0260291959058674
Energy: 1.0252090144551607
Energy: 1.038106849642809
Energy: 0.9601279612750384
Energy: 0.9718746535937532
Energy: 1.049454992658818
Energy: 1.042430805330445
Energy: 0.9653733010402257
Energy: 0.9647407550144902
Energy: 0.9813755029729748
Energy: 1.1493359462054236
Energy: 0.9618286908810043
Energy: 0.9475993959273122
Energy: 0.9469524588341727
Energy: 0.9989039724202613
Energy: 1.1537721105240717
Energy: 0.9625404586037771
Energy: 0.9715856211311485
Energy: 0.9665509607349009
Energy: 0.9712542116949463
Energy: 0.9640539193852279
Energy: 0.9510667406327006
Energy: 0.9829202925919011
Energy: 0.9807691470024426
Energy: 0.9889881066944481
Energy: 0.9653233569583595
Energy: 0.976192891374997
Energy: 0.9659370403340874
Energy: 0.9597179237164574
Energy: 1.144467757344688
Energy: 1.1425335276019406
Energy: 1.0723872504140959
Energy: 0.9484697599721555
Energy: 1.040191553434492
Energy: 1.1479687484087664
Energy: 1.033125088094301
Energy: 1.0805303624160474
Energy: 0.9768338509813679
Energy: 1.0287801826702365
Energy: 1.030944361223034
Energy: 0.9830799386354317
Energy: 0.9437778467524874
Energy: 0.9822911878429165
Energy: 1.0373352924157382
Energy: 1.0537498472558442
Energy: 1.021106033030338
Energy: 0.9491933525223326

minimum gb energy = 0.9360764776323159 eV
minimum distance =  2.2764261333009 Angstroms
sigma value = 437


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

Energy: 1.3354791503518253
Energy: 0.9020585628595952
Energy: 1.0313779062002368
Energy: 0.9782555496471407
Energy: 0.9022448254557693
Energy: 0.955786812801931
Energy: 0.9358881060159346
Energy: 1.0336072524171183
Energy: 0.9923931421980942
Energy: 1.086367834289666
Energy: 0.8800244655635829
Energy: 1.0154419817152753
Energy: 0.8819326795510463
Energy: 1.0711634087364506
Energy: 0.9169915989054847
Energy: 0.8830116227843634
Energy: 1.0150716672507754
Energy: 0.9088782404015595
Energy: 1.0143731673426157
Energy: 0.8944008083076155
Energy: 0.9795765535628347
Energy: 0.9928376381195316
Energy: 1.0125502908238913
Energy: 0.920162996889005
Energy: 0.8878478614887384
Energy: 0.9793701200440078
Energy: 0.994363576944962
Energy: 0.9199142792424049
Energy: 0.9182155365977296
Energy: 0.9818765133642159
Energy: 0.9174775753540542
Energy: 0.9219218244980393
Energy: 0.9184951171229777
Energy: 0.9811323914655236
Energy: 0.9819233495557591
Energy: 0.9189556037657336
Energy: 0.9194182190986505
Energy: 1.0121276982737581
Energy: 0.9811703599726467
Energy: 0.8881185278920984
Energy: 0.9003073587713627
Energy: 0.9386840654962089
Energy: 0.9162275501170255
Energy: 0.9276334877628433
Energy: 0.9189454825125478
Energy: 0.9001043795594069
Energy: 0.9381221924181607
Energy: 0.9157461737259063
Energy: 0.9118114222716077
Energy: 0.8808137119574927
Energy: 0.9422112144022119
Energy: 0.9173594517952743
Energy: 0.881285201873491
Energy: 0.9008266392242599
Energy: 0.9535448204954129
Energy: 0.9428635011650824
Energy: 0.916427950906737
Energy: 0.8813274228854925
Energy: 0.910064703289721
Energy: 0.9543313687070633
Energy: 0.9868456970661296
Energy: 0.9801848462778014
Energy: 0.9790245937551886
Energy: 0.9160151159596668
Energy: 0.9199811074893314
Energy: 0.9864731452755955
Energy: 0.9789195858712735
Energy: 0.9785771723272777
Energy: 0.916151073419771
Energy: 0.9202756155181475
Energy: 0.9923044413135261
Energy: 0.9783704130264529
Energy: 0.9161184273984
Energy: 0.9072070344357376
Energy: 1.0147536811335292
Energy: 0.9927586588490712
Energy: 0.8811292515702385
Energy: 0.9171305808980404
Energy: 0.91130500509606
Energy: 1.0199712458502725
Energy: 0.9170303619831469
Energy: 1.0112358007991724
Energy: 0.9331483422036856
Energy: 0.9214420268040834
Energy: 0.9170951751941443
Energy: 0.9154486113474848
Energy: 1.0114940040295841
Energy: 0.9319969987839497
Energy: 0.9199400884824216
Energy: 0.9159832026037058
Energy: 0.8862511693067084
Energy: 0.9153853035713234
Energy: 0.8876438950347892
Energy: 0.8868166388562587
Energy: 0.9468077124166203
Energy: 0.909818335745103
Energy: 0.9153730752327486
Energy: 0.8881719601979055
Energy: 0.8911156260473072
Energy: 0.9447619711696797
Energy: 0.8842383045911059
Energy: 0.8822688138968635
Energy: 0.9386345682492261
Energy: 0.9536982145604369
Energy: 0.8831913211801781
Energy: 0.8839722824441651
Energy: 0.8822313631464604
Energy: 0.9346158772278444
Energy: 0.954029319735225
Energy: 0.9214486925233193
Energy: 0.8890649870268907
Energy: 0.8881633447886734
Energy: 0.8877581949696597
Energy: 0.9886384167391855
Energy: 0.8853250455414543
Energy: 0.8848468354121877
Energy: 0.8816673965430347
Energy: 0.8891937155383934
Energy: 0.9885077913680717
Energy: 0.8846742612578065
Energy: 0.8837665586710208
Energy: 0.8856969053825383
Energy: 1.0134018426043143
Energy: 1.0137725543052043
Energy: 0.8849121434462465
Energy: 0.8841646457796459
Energy: 0.8857732662554483
Energy: 1.01506812925403
Energy: 1.0122583054139584
Energy: 0.883469444307746
Energy: 1.0272280654761408
Energy: 0.8907547592291125
Energy: 1.0631333645032919
Energy: 0.8852143578500034
Energy: 0.8914049502027489
Energy: 1.081069652298547
Energy: 0.9386547901301966
Energy: 1.119023779068655
Energy: 0.8867366099419901
Energy: 0.9406522808881356

minimum gb energy = 0.8800244655635829 eV
minimum distance =  2.34307300313308 Angstroms
sigma value = 33