Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615001678466797
cohesive_energy=3.5402785184955947
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5555645091870378e-19, 2.23171989879762e-19, 2.75048867112048e-19, 3.17384782488864e-19, 3.53021997358926e-19, 3.8357550576930596e-19, 4.10072302942398e-19, 4.3322055095042997e-19, 4.53532946316282e-19, 4.7139881796201595e-19, 4.871209772714579e-19, 5.009381485630739e-19, 5.130506039161139e-19, 5.23618560993978e-19, 5.327814091638239e-19, 5.40657709496568e-19, 5.47345194766884e-19, 5.52933586866276e-19, 5.574997902731759e-19, 5.61112698582846e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65561943095464e-19, 5.63342928457374e-19, 5.59960733583e-19, 5.552086776865559e-19, 5.488432299196739e-19, 5.405663854284299e-19, 5.30019256646808e-19, 5.168413538321579e-19, 5.01263390419776e-19, 4.828319504222399e-19, 4.60739536816014e-19, 4.339928000880179e-19, 4.0135806423007197e-19, 3.6133569191275195e-19, 3.12113621363004e-19, 2.5113638084959795e-19, 1.7505061467757201e-19, 8.05712198765724e-20, -3.6953723410219794e-20, -1.85552882513442e-19, -3.74619338385246e-19, -6.1928292563348395e-19, -9.397807373222098e-19, -1.367021965074552e-18, -1.94092483972662e-18, -2.72467760554674e-18, -3.8083097719526395e-18, -5.24243409881238e-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: 0.013653314339199899
Energy: 0.014149383963328445
Energy: 0.014308841903931656
Energy: 0.013873305648634022
Energy: 0.452076335900784
Energy: 0.014018963418451335
Energy: 0.01414938396426927
Energy: 0.09886484374731717
Energy: 0.09888068334140493
Energy: 0.0990025516695189
Energy: 0.09886539109158794
Energy: 0.09927835116974457
Energy: 0.014308841905778457
Energy: 0.09888068334112615
Energy: 0.10009117859233718
Energy: 0.014475681274055555
Energy: 0.09884751891409135
Energy: 0.0996477100749525
Energy: 0.013873305648041654
Energy: 0.09900255167105211
Energy: 0.01447568127649473
Energy: 0.013988926768763454
Energy: 0.09889581240768208
Energy: 0.014047389976989188
Energy: 0.45207633590168994
Energy: 0.09886539109280752
Energy: 0.09884751891562456
Energy: 0.09889581241074846
Energy: 0.09886148135933745
Energy: 0.09887935565138761
Energy: 0.014018963418764943
Energy: 0.09927835117371692
Energy: 0.09964771007467375
Energy: 0.014047389977267951
Energy: 0.09887935564619565
Energy: 0.014102674371491422

minimum gb energy = 0.013653314339199899 eV
minimum distance =  2.55179776918637 Angstroms
sigma value = 1


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

Energy: 1.2410828262916185
Energy: 0.7817478278139665
Energy: 0.8054763487995006
Energy: 0.7602862451841557
Energy: 1.1329907076912873
Energy: 0.8056103711290159
Energy: 1.1368186425173143
Energy: 0.7419389931008159
Energy: 0.7477794320552404
Energy: 0.7368186006900845
Energy: 0.749176634685218
Energy: 0.7374165185638808
Energy: 1.0400840054453415
Energy: 0.7480083195855476
Energy: 0.7414164536846964
Energy: 0.7528356304139151
Energy: 0.7388020668194588
Energy: 0.7428165541323644
Energy: 1.2153482281167827
Energy: 0.7545520704570287
Energy: 0.7505606369488964
Energy: 0.7384041497618248
Energy: 0.7458250115948734
Energy: 0.7422384489053431
Energy: 1.1165490346863876
Energy: 0.7477411294409387
Energy: 0.7466448140776494
Energy: 0.7360523940985364
Energy: 0.7501240777143415
Energy: 0.7449889893192946
Energy: 1.097529497193234
Energy: 0.7538056970470169
Energy: 0.7540753653855281
Energy: 0.7435417430434693
Energy: 0.7475641191742125
Energy: 0.7457383726983776
Energy: 1.100360620357147
Energy: 0.7474617468847554
Energy: 0.7574980401160553
Energy: 0.7356690126487214
Energy: 0.7424169202709726
Energy: 0.743977603084068
Energy: 1.0356096449547694
Energy: 0.739181426395502
Energy: 0.7390753240823488
Energy: 0.7074756943426163
Energy: 0.737841751278579
Energy: 0.7469568678709083
Energy: 0.8874175734194041
Energy: 0.7359748748487991
Energy: 0.7371560655877459
Energy: 0.7489798264506728
Energy: 0.7445182544553245
Energy: 0.7441687066587424
Energy: 0.8819706082306394
Energy: 0.7480561925400272
Energy: 0.7472787605370219
Energy: 0.7432757072179019
Energy: 0.7359915119978981
Energy: 0.747254292554762
Energy: 0.8653357333881468
Energy: 0.7375345141946178
Energy: 0.7374348837210946
Energy: 0.7919854681514884
Energy: 0.7364376991837385
Energy: 0.7445899214815559
Energy: 0.7933791502757871
Energy: 0.7447755084351764
Energy: 0.7485867270066294
Energy: 0.7353070560568327
Energy: 0.7388104855440717
Energy: 0.7424652793913799
Energy: 0.7922847784473697
Energy: 0.7363608249420719
Energy: 0.7363483127618157
Energy: 0.7439208816919445
Energy: 0.7480888667173754
Energy: 0.7375469206405267
Energy: 0.8437236707198652
Energy: 0.7437985573725059
Energy: 0.7437048537707343
Energy: 0.7685063635464051
Energy: 0.7393357044177377
Energy: 0.742191642625805
Energy: 0.8190250392704809
Energy: 0.7355929530202877
Energy: 0.7452953875584837
Energy: 0.7466264247924538
Energy: 0.7358916846346819
Energy: 0.7462052150099899
Energy: 0.8192646893915783
Energy: 0.7463433968814706
Energy: 0.739081196387646
Energy: 0.741164390864228
Energy: 0.7549395799739377
Energy: 0.7368042900778815
Energy: 1.0339184260412844
Energy: 0.7357864513949817
Energy: 0.7420889635505844
Energy: 0.7420697717280362
Energy: 0.7349026242675291
Energy: 0.7489866025580537
Energy: 0.9883939198985654
Energy: 0.7463624998475268
Energy: 0.755368161687269
Energy: 0.7467571793908236
Energy: 0.7401440768035871
Energy: 0.7557801457050387
Energy: 0.988468642276058
Energy: 0.7549657729493054
Energy: 0.7560383097929011
Energy: 0.7396488130517606
Energy: 0.7471700809120126
Energy: 0.7554653280152359
Energy: 1.0408594517565637
Energy: 0.7472095706482208
Energy: 0.7565045336081008
Energy: 0.7409493105196787
Energy: 0.7424279657204834
Energy: 0.7557976017309016
Energy: 1.1462161525576517
Energy: 0.7483093081145991
Energy: 0.7380875163200243
Energy: 0.7346814054499812
Energy: 0.7445938930663355
Energy: 0.7380161792465944
Energy: 1.0204147229522413
Energy: 0.7533796145986319
Energy: 0.7387259143223476
Energy: 0.7523858317414305
Energy: 0.7413624306112837
Energy: 0.7401760782501183
Energy: 1.1367245808372943
Energy: 0.7433601418112628
Energy: 0.7469811918051369
Energy: 0.7400406665711576
Energy: 0.7495655474896354
Energy: 0.7367887572100392

minimum gb energy = 0.7074756943426163 eV
minimum distance =  2.38959982435725 Angstroms
sigma value = 33


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

Energy: 1.4217706218924593
Energy: 0.8325679789570436
Energy: 0.8038048988035623
Energy: 0.8034149809572159
Energy: 0.804294287474402
Energy: 0.8333723094753345
Energy: 0.956435765877198
Energy: 0.7742131563685785
Energy: 0.7669988755014849
Energy: 0.7714401145681672
Energy: 0.7779392732167895
Energy: 0.779169587765028
Energy: 1.053841261926213
Energy: 0.7850845884549928
Energy: 0.775086916981739
Energy: 0.7915270102910451
Energy: 0.7756254659858641
Energy: 0.7741007684964676
Energy: 1.1344530344500754
Energy: 0.8494976322580411
Energy: 0.785675213772173
Energy: 0.7980069170842687
Energy: 0.7939867122388965
Energy: 0.7921677217719388
Energy: 1.0653349163435142
Energy: 0.7567753543396009
Energy: 0.7750757802717929
Energy: 0.7793847264689354
Energy: 0.7746078353906062
Energy: 0.7746163275301742
Energy: 1.1468133450835398
Energy: 0.7930071791667175
Energy: 0.7848941591079837
Energy: 0.7679926166616009
Energy: 0.8523172143123904
Energy: 0.8360828535083774
Energy: 1.145496564600572
Energy: 0.832137251956318
Energy: 0.8322267516677402
Energy: 0.8391547442791977
Energy: 0.8248031603700485
Energy: 0.8238314332074422
Energy: 1.067132616159563
Energy: 0.8017160479921107
Energy: 0.8039753388141541
Energy: 0.7904856482184025
Energy: 0.802020355510419
Energy: 0.8030911985948614
Energy: 0.9273209341383353
Energy: 0.8032551445700035
Energy: 0.8378211728927116
Energy: 0.8483111964833138
Energy: 0.7805881264170679
Energy: 0.8285205065933869
Energy: 0.9250001807371963
Energy: 0.8317814702325254
Energy: 0.8322224203100177
Energy: 0.828798731723965
Energy: 0.8304906836439668
Energy: 0.8322976421245474
Energy: 0.9732624936657248
Energy: 0.7493422997125723
Energy: 0.7490876467962275
Energy: 0.789273952453664
Energy: 0.7494345581197432
Energy: 0.7490430454317465
Energy: 0.8519977723466815
Energy: 0.7690777934979699
Energy: 0.8355726763229588
Energy: 0.8515179001925509
Energy: 0.7686153800655271
Energy: 0.8221956327702007
Energy: 0.8523980475800196
Energy: 0.8322364534349435
Energy: 0.8266484380034057
Energy: 0.8511447156546058
Energy: 0.8247056649004435
Energy: 0.8262078000407488
Energy: 0.8708522132961608
Energy: 0.7993455904937986
Energy: 0.791504691158159
Energy: 0.8329959850872986
Energy: 0.7981777594406406
Energy: 0.791666908357446
Energy: 0.9150338769224243
Energy: 0.8330851226879793
Energy: 0.8321363164456681
Energy: 0.844619847999485
Energy: 0.8335563251879967
Energy: 0.8335032216645155
Energy: 0.917963826027935
Energy: 0.8432153281894268
Energy: 0.8321463149155316
Energy: 0.8524162158105537
Energy: 0.8247769468305369
Energy: 0.8368039051369316
Energy: 1.0754127966362497
Energy: 0.8245977437284318
Energy: 0.8305234907456435
Energy: 0.8327467679996797
Energy: 0.8243575444368734
Energy: 0.8302314435059476
Energy: 0.9943002713445389
Energy: 0.8249096554685179
Energy: 0.8262800370765729
Energy: 0.8020473593665811
Energy: 0.833973034199568
Energy: 0.802272726041761
Energy: 0.9847351517077642
Energy: 0.8460327604891454
Energy: 0.8299639561797691
Energy: 0.7831069811766133
Energy: 0.8482774562212195
Energy: 0.8295273899326875
Energy: 1.09540090933663
Energy: 0.830554297427476
Energy: 0.8337985704377134
Energy: 0.8310756899950635
Energy: 0.8477721964717041
Energy: 0.8308921938172192
Energy: 1.2403727704064695
Energy: 0.8464351158239455
Energy: 0.748899931647861
Energy: 0.7496300071133095
Energy: 0.8478231375609947
Energy: 0.7489640086742404
Energy: 0.9459549242873501
Energy: 0.8349413279292615
Energy: 0.8286354227580998
Energy: 0.7689159283127035
Energy: 0.8383946013316667
Energy: 0.8239559895278967
Energy: 1.0700678955479148
Energy: 0.8265899852153138
Energy: 0.824895853344163
Energy: 0.82534358378992
Energy: 0.8513428196658404
Energy: 0.835534067022519
Energy: 1.1361779817357947
Energy: 0.8841220193287471
Energy: 0.860476074291916
Energy: 0.7918514444128252
Energy: 0.8568214893785053
Energy: 0.7994862644342156
Energy: 1.0406492781064298
Energy: 0.8004666268000384
Energy: 0.8377033104390961
Energy: 0.8262939867172499
Energy: 0.8281587661879167
Energy: 0.8343878295262648
Energy: 1.0657512329495755
Energy: 0.851271657038468
Energy: 0.8363438647325631
Energy: 0.8382885159247367
Energy: 0.8515795728848584
Energy: 0.8336198539864171
Energy: 1.1455086876496812
Energy: 0.8292355498825923
Energy: 0.8290151939967524
Energy: 0.8291285467086054
Energy: 0.8298820888492339
Energy: 0.8292493341011267
Energy: 1.0675425461531145
Energy: 0.8018659041412578
Energy: 0.802577503185365
Energy: 0.8331601749438337
Energy: 0.8025749778975271
Energy: 0.8302786009376102
Energy: 0.9269024160946242
Energy: 0.8018531816906496
Energy: 0.8029272406620647
Energy: 0.8501751887622424
Energy: 0.8022626108735242
Energy: 0.831630623799147
Energy: 0.9268451112475643
Energy: 0.8302341386515827
Energy: 0.830277290751264
Energy: 0.8476455201184381
Energy: 0.8307912198296172
Energy: 0.8311466231896888
Energy: 0.9988636551605553
Energy: 0.7500449769175837
Energy: 0.7490470997883366
Energy: 0.8476382099023052
Energy: 0.7502611696940639
Energy: 0.748937565517426
Energy: 0.8502997311455989
Energy: 0.7699860782958173
Energy: 0.7518447907303337
Energy: 0.8506976924708652
Energy: 0.7695946387228482
Energy: 0.8303449059890603
Energy: 0.8513698522094837
Energy: 0.8311397097353237
Energy: 0.8331956541548552
Energy: 0.8516485254032857
Energy: 0.8241596959161863
Energy: 0.8282266679183742
Energy: 0.8509375659568378
Energy: 0.791948483954287
Energy: 0.7915115456980778
Energy: 0.8511861449484573
Energy: 0.7988714769065656
Energy: 0.7920593840834274
Energy: 0.913381528452804
Energy: 0.8347978401662516
Energy: 0.835847853340579
Energy: 0.7905400255595655
Energy: 0.8267379201798748
Energy: 0.8339633106252343
Energy: 0.9124946790932803
Energy: 0.77618226302834
Energy: 0.8390750754519664
Energy: 0.852624569165893
Energy: 0.8349857592337854
Energy: 0.8296381161147306
Energy: 0.915011741158644
Energy: 0.7618053676405917
Energy: 0.7731686598608379
Energy: 0.7671031086637575
Energy: 0.7720344321453655
Energy: 0.7622154716022803
Energy: 0.9846546147985492
Energy: 0.7760191247026809
Energy: 0.7781294845942555
Energy: 0.7808221334503308
Energy: 0.780594284416088
Energy: 0.7767024629285397
Energy: 0.9915994068711129
Energy: 0.784881506053033
Energy: 0.7854472614414515
Energy: 0.8018176640379937
Energy: 0.791979856212954
Energy: 0.8033459300052366
Energy: 1.0650256863489247
Energy: 0.7747535332389842
Energy: 0.7717430624772118
Energy: 0.776361997366773
Energy: 0.7837559812049784
Energy: 0.7764160024987954
Energy: 1.2891765400510196
Energy: 0.7792222615949929
Energy: 0.7491598386272487
Energy: 0.7410782066898549
Energy: 0.7773676097918615
Energy: 0.7715413924645621

minimum gb energy = 0.7410782066898549 eV
minimum distance =  2.32723686540317 Angstroms
sigma value = 51


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

Energy: 1.280142617726189
Energy: 0.7837423087082719
Energy: 0.7832056836660016
Energy: 0.7894124487973948
Energy: 0.7948202229887666
Energy: 0.8324065119665748
Energy: 1.0323225050444893
Energy: 0.7951950973478955
Energy: 0.7987811236514658
Energy: 0.7546008264870229
Energy: 0.7943248145378036
Energy: 0.7699829189139509
Energy: 1.1360692083766288
Energy: 0.8098877162173933
Energy: 0.8000553332173737
Energy: 0.7714105818168793
Energy: 0.7936879298521837
Energy: 0.7908237560905453
Energy: 1.1304005017673413
Energy: 0.7841032494695999
Energy: 0.7857814890743355
Energy: 0.7869042593031024
Energy: 0.7842216458466261
Energy: 0.78557807845176
Energy: 0.9632307996929904
Energy: 0.7701676116431059
Energy: 0.7650363834358618
Energy: 0.7709444951952718
Energy: 0.824008828981681
Energy: 0.7671017290572799
Energy: 0.9636130757225797
Energy: 0.8008980213422016
Energy: 0.8005566244483873
Energy: 0.8017044752178617
Energy: 0.7532895948747745
Energy: 0.8008157943578273
Energy: 0.9635134542819791
Energy: 0.7579786012981108
Energy: 0.7581105981124762
Energy: 0.8022093251497886
Energy: 0.7604735012008677
Energy: 0.7590156046037115
Energy: 0.9469310015371515
Energy: 0.7855269886256866
Energy: 0.7870131644352459
Energy: 0.7842360269134324
Energy: 0.792021886728105
Energy: 0.783997983708218
Energy: 0.8114745758139092
Energy: 0.7639334232631041
Energy: 0.7771442335927918
Energy: 0.8119322318314249
Energy: 0.7268106112490714
Energy: 0.7932293039669697
Energy: 0.8115126343506256
Energy: 0.7674400516659983
Energy: 0.768438636584877
Energy: 0.8117064254430127
Energy: 0.7704429879530494
Energy: 0.7812489059538583
Energy: 0.8103862367048859
Energy: 0.776689488264315
Energy: 0.7768659203785462
Energy: 0.8107255660844304
Energy: 0.7655307634023762
Energy: 0.7823377502052768
Energy: 0.8463528583154283
Energy: 0.7682879860655982
Energy: 0.770660424864759
Energy: 0.7925903461028456
Energy: 0.7670710614340613
Energy: 0.7776143470325272
Energy: 0.8456526935688579
Energy: 0.7793962104111196
Energy: 0.7902907622279286
Energy: 0.8075322697713335
Energy: 0.7785568656969134
Energy: 0.7994273524686998
Energy: 0.8470743895056174
Energy: 0.8018677925914178
Energy: 0.7781524480536657
Energy: 0.78394302369817
Energy: 0.7895833573206719
Energy: 0.7850584432787681
Energy: 1.0315198424550407
Energy: 0.7811795400878386
Energy: 0.7803193199040446
Energy: 0.7956486409749072
Energy: 0.7895177397428595
Energy: 0.7805103827835079
Energy: 1.0333907420570976
Energy: 0.8107304951820603
Energy: 0.7991616753194278
Energy: 0.7823256939108953
Energy: 0.810255636705137
Energy: 0.7825598341944735
Energy: 1.0373256317596165
Energy: 0.810061917620149
Energy: 0.811048230724586
Energy: 0.771811355186883
Energy: 0.8098419490309214
Energy: 0.7783185685870172
Energy: 1.2279387423960342
Energy: 0.7837989828774424
Energy: 0.7899383468295417
Energy: 0.7836487187966888
Energy: 0.7929697441858061
Energy: 0.7700776018266605

minimum gb energy = 0.7268106112490714 eV
minimum distance =  2.38492271004104 Angstroms
sigma value = 19


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

Energy: 1.0727701962434046
Energy: 0.7760435930974907
Energy: 0.8311134509824889
Energy: 0.833955579128868
Energy: 0.7580961212038188
Energy: 0.8324175056073013
Energy: 0.9828036219428976
Energy: 0.7575403294950935
Energy: 0.7576880821349847
Energy: 0.7855210090073644
Energy: 0.7575446617441821
Energy: 0.7579158794731019
Energy: 0.9140182096298115
Energy: 0.7579457041715006
Energy: 0.7579544662433229
Energy: 0.7856615716935023
Energy: 0.7577944720192636
Energy: 0.757902372832578
Energy: 0.90546422965299
Energy: 0.7577223815778782
Energy: 0.7575350655800274
Energy: 0.7754229185802575
Energy: 0.7578235350206284
Energy: 0.7578524397854662
Energy: 0.8522963744894466
Energy: 0.7574926612459665
Energy: 0.78488694754587
Energy: 0.7446401956703987
Energy: 0.7574551182997605
Energy: 0.7854161446159124
Energy: 0.9161158263844705
Energy: 0.7357749095365463
Energy: 0.7841607109690883
Energy: 0.787148035895713
Energy: 0.7356925519421907
Energy: 0.7853640263942815
Energy: 0.9158861609294358
Energy: 0.744799238458001
Energy: 0.7845911821587198
Energy: 0.7862462040470333
Energy: 0.7442485523988989
Energy: 0.7852967166501753
Energy: 0.8511407333836651
Energy: 0.7399802777665107
Energy: 0.7398419377018662
Energy: 0.7584238402969659
Energy: 0.7378614884876108
Energy: 0.7357553122666834
Energy: 0.7578237260559698
Energy: 0.7407081411135338
Energy: 0.7381210087247392
Energy: 0.7578909839397393
Energy: 0.7359790595970975
Energy: 0.7357741810406324
Energy: 0.7576118664575334
Energy: 0.7854285090954469
Energy: 0.7579276293088795
Energy: 0.7575617359024898
Energy: 0.7442879464562331
Energy: 0.757696562077492
Energy: 0.7557037880892524
Energy: 0.795492623003524
Energy: 0.7959167776391101
Energy: 0.7562587711772047
Energy: 0.7771088656215573
Energy: 0.7584887500643407
Energy: 0.8525638763194804
Energy: 0.7855841026420047
Energy: 0.7844541768346607
Energy: 0.7574222159815458
Energy: 0.78599901482287
Energy: 0.757674108047918
Energy: 0.7351605992618482
Energy: 0.7847416210437523
Energy: 0.7859100307878728
Energy: 0.7375666869358826
Energy: 0.7851655594821467
Energy: 0.7858105331243307
Energy: 0.8523111778992001
Energy: 0.7859361863743087
Energy: 0.785543234953334
Energy: 0.7582357231112299
Energy: 0.7868264862750085
Energy: 0.7850613471784752
Energy: 1.0818631843109539
Energy: 0.7575913640296489
Energy: 0.7577194954488203
Energy: 0.7365706825772773
Energy: 0.7574508751137513
Energy: 0.7359644369278173
Energy: 1.0769956636479445
Energy: 0.7875307960303292
Energy: 0.7369979929024755
Energy: 0.7367319799370142
Energy: 0.757920178151222
Energy: 0.7399555778122506
Energy: 0.8512308815267597
Energy: 0.7577411237827877
Energy: 0.7575984098788546
Energy: 0.7445024800453738
Energy: 0.7576708929312567
Energy: 0.7579022347930309
Energy: 0.9064185043630377
Energy: 0.7576996409601794
Energy: 0.7580952102114288
Energy: 0.7756812407679083
Energy: 0.7575351938060085
Energy: 0.7595842368638739
Energy: 0.9028412988534914
Energy: 0.7579259796029335
Energy: 0.7580177007099362
Energy: 0.7755560146295258
Energy: 0.7576947523453793
Energy: 0.7578521216135983
Energy: 0.9153893910722397
Energy: 0.7358210784840121
Energy: 0.7854066503261126
Energy: 0.7442584928210979
Energy: 0.735661934703302
Energy: 0.7836456073115877
Energy: 0.9092208169571521
Energy: 0.7589303182074171
Energy: 0.784888014111545
Energy: 0.7883420759664594
Energy: 0.7576464869101337
Energy: 0.7859001105048481
Energy: 0.9148309408555632
Energy: 0.7450688259859913
Energy: 0.7848037312594542
Energy: 0.7576039854861168
Energy: 0.7443933770647312
Energy: 0.7845132534946387
Energy: 0.8523438454990153
Energy: 0.7368173689730183
Energy: 0.7364407534450772
Energy: 0.8529744862913095
Energy: 0.7449995563441133
Energy: 0.7406634509303803
Energy: 0.7577194438138316
Energy: 0.7858210711850608
Energy: 0.7582681490611515
Energy: 0.7577241986962852
Energy: 0.7718850365551925
Energy: 0.7578077189252187
Energy: 0.7579325465285703
Energy: 0.7882071856130028
Energy: 0.7579758314610539
Energy: 0.7577974978141235
Energy: 0.785652644207683
Energy: 0.7578928401473094
Energy: 0.8544397889330831
Energy: 0.7759249123484995
Energy: 0.7757367443423642
Energy: 0.7581552127543572
Energy: 0.7754633298245202
Energy: 0.7574318928757878
Energy: 0.9148929366994478
Energy: 0.7851082245794346
Energy: 0.7850632274248038
Energy: 0.7573427909958361
Energy: 0.7448183204031595
Energy: 0.784863075441394
Energy: 0.7356550441489488
Energy: 0.7859160379897088
Energy: 0.7848307592582092
Energy: 0.7357606827113191
Energy: 0.7868621747165891
Energy: 0.7833103336852264
Energy: 0.8531602556679995
Energy: 0.7853433094850526
Energy: 0.7848718880982624
Energy: 0.7445204942368784
Energy: 0.7867280430778268
Energy: 0.7848938184441479
Energy: 1.0793346862632176
Energy: 0.7580178814810693
Energy: 0.7359275907374789
Energy: 0.7397269965179754
Energy: 0.7575086503050524
Energy: 0.7418406894417481

minimum gb energy = 0.7351605992618482 eV
minimum distance =  2.39048385242047 Angstroms
sigma value = 27


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

Energy: 0.9169006261311552
Energy: 0.8114488839217514
Energy: 0.811535212034159
Energy: 0.7394607123151795
Energy: 1.3013505737845366
Energy: 0.8116665363620903
Energy: 0.7994240740166235
Energy: 0.7724231019821687
Energy: 0.6864320784351126
Energy: 0.7112130719031268
Energy: 0.7719486251198208
Energy: 0.6878480051760011
Energy: 0.822120928385142
Energy: 0.7714360156644172
Energy: 0.7180463925684246
Energy: 0.6868046250958415
Energy: 0.7707093206901746
Energy: 0.7189054015933183
Energy: 0.7192554113117072
Energy: 0.6870754704754406
Energy: 0.6862862793528198
Energy: 0.7090606513661486
Energy: 0.7373009548436658
Energy: 0.6861530299887832
Energy: 0.8961012603109704
Energy: 0.6772397438782685
Energy: 0.6863595683601829
Energy: 0.7385348724673473
Energy: 0.6772819444483554
Energy: 0.6860690040647976
Energy: 0.7711727886454081
Energy: 0.7001360751758565
Energy: 0.6996242198098367
Energy: 0.7710399545753253
Energy: 0.7004699714521208
Energy: 0.6771733516414987
Energy: 0.7725151622181091
Energy: 0.709634102389974
Energy: 0.7197063716638301
Energy: 0.7729442260119979
Energy: 0.7104256544811768
Energy: 0.7184791588485107
Energy: 0.7721237412909896
Energy: 0.7028929061355161
Energy: 0.7031471805786064
Energy: 0.7723311365252221
Energy: 0.7025142101876327
Energy: 0.7029628190623552
Energy: 0.8220339347825949
Energy: 0.684379485305583
Energy: 0.7105347309300067
Energy: 0.7721713288172756
Energy: 0.6838959859776281
Energy: 0.686438442835579
Energy: 0.8237455424865646
Energy: 0.7072817788597451
Energy: 0.7085648719669305
Energy: 0.7175227969466601
Energy: 0.7097825099914238
Energy: 0.7187961475861339
Energy: 0.8228666747087543
Energy: 0.7444778445568182
Energy: 0.7436290259634486
Energy: 0.719330756617249
Energy: 0.7420884307581422
Energy: 0.744428912595682
Energy: 0.8218500510782819
Energy: 0.7180220796484411
Energy: 0.6862959815491333
Energy: 0.7118387975574703
Energy: 0.7189218216191748
Energy: 0.6875401925901793

minimum gb energy = 0.6771733516414987 eV
minimum distance =  2.42112272765982 Angstroms
sigma value = 9


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

Energy: 1.5294720188073565
Energy: 0.673899408659847
Energy: 0.6528937998582004
Energy: 0.6530842784501442
Energy: 0.6772512361616362
Energy: 0.6527304068703802
Energy: 0.6480746546440769
Energy: 0.6646013798398366
Energy: 0.6683371058559823
Energy: 0.6442284640919301
Energy: 0.678198068293708
Energy: 0.6465729186952043
Energy: 0.705940212933085
Energy: 0.6796854722298511
Energy: 0.6700184204666694
Energy: 0.6743588474726279
Energy: 0.6786117930656376
Energy: 0.6502216414668763
Energy: 0.7061231728135111
Energy: 0.6343800508498785
Energy: 0.6340269382373881
Energy: 0.6643192816216335
Energy: 0.6353904791340661
Energy: 0.6340215746306199
Energy: 0.74488935939459
Energy: 0.6596631661318407
Energy: 0.663365665002805
Energy: 0.683180763312164
Energy: 0.659078750161813
Energy: 0.6596272170722628
Energy: 0.6943547893446911
Energy: 0.6505061114819432
Energy: 0.6409201013055988
Energy: 0.6943873700736696
Energy: 0.6508600982670619
Energy: 0.6409573737053271
Energy: 0.6940750751888051
Energy: 0.6346826069677699
Energy: 0.6342839881490457
Energy: 0.695228263812253
Energy: 0.6363315195907611
Energy: 0.6972888009067627
Energy: 0.7086019531091733
Energy: 0.6518350634706555
Energy: 0.6656674560816045
Energy: 0.7086130076447543
Energy: 0.6522881776022368
Energy: 0.6427063805903211
Energy: 0.7993731263430217
Energy: 0.66402850100998
Energy: 0.6804550698112157
Energy: 0.6823740298767421
Energy: 0.679412850425597
Energy: 0.6348084019141836
Energy: 0.6540568495951811
Energy: 0.635681103381662
Energy: 0.6348295772582342
Energy: 0.6510059604936408
Energy: 0.6535806587637666
Energy: 0.638543938748956
Energy: 0.6469401972544774
Energy: 0.694673746423771
Energy: 0.6776370577162135
Energy: 0.6638860267941474
Energy: 0.6942336044140942
Energy: 0.6470420183130645
Energy: 0.8127040117604131
Energy: 0.6944298468588954
Energy: 0.6922696330072453
Energy: 0.6459483265976643
Energy: 0.6945212976041982
Energy: 0.6587302949682611
Energy: 0.6936682882457265
Energy: 0.6739030823653818
Energy: 0.675236100759505
Energy: 0.6619334986677108
Energy: 0.6740638328449428
Energy: 0.6565993276578046
Energy: 0.8121659106720069
Energy: 0.6775192848700152
Energy: 0.6487354849165305
Energy: 0.645961123509012
Energy: 0.6954415101348977
Energy: 0.6589426130817163
Energy: 0.6779774753327548
Energy: 0.6489815660408247
Energy: 0.6474553977863935
Energy: 0.6781529606796343
Energy: 0.6521478387488281
Energy: 0.6968848179648649
Energy: 0.6778319610184823
Energy: 0.6448962130070437
Energy: 0.6641283645572121
Energy: 0.6786435770589102
Energy: 0.6662466904067188
Energy: 0.6693274177703509
Energy: 0.6768463158347019
Energy: 0.6323020782783758
Energy: 0.6329162263104771
Energy: 0.6767125466498147
Energy: 0.6440671520982563
Energy: 0.6502788757175192
Energy: 0.7216497406272347
Energy: 0.6327818603535507
Energy: 0.6554184719161463
Energy: 0.6642405696000113
Energy: 0.6610817635046464
Energy: 0.6335672175056759
Energy: 0.7066817247433298
Energy: 0.6425712900627814
Energy: 0.6431264186286292
Energy: 0.6779616087270731
Energy: 0.6411602598536345
Energy: 0.6447358083728024
Energy: 0.7050218126910892
Energy: 0.6542458841567808
Energy: 0.6423264828772061
Energy: 0.6536510850553517
Energy: 0.6538846146050591
Energy: 0.6469883619307125
Energy: 0.7064032100717327
Energy: 0.6703816952180609
Energy: 0.6435804915257355
Energy: 0.6735718757950759
Energy: 0.668772997797867
Energy: 0.6450512840338315
Energy: 0.7391982349952613
Energy: 0.647050319751367
Energy: 0.6498570239341533
Energy: 0.6602363634763493
Energy: 0.6650781098831299
Energy: 0.6628362344536073
Energy: 0.7375982998363033
Energy: 0.6650067985847463
Energy: 0.6599156007367255
Energy: 0.65944455531598
Energy: 0.6810356595055636
Energy: 0.6229389015253796
Energy: 0.7058459084023518
Energy: 0.6803530754271389
Energy: 0.6557950577017662
Energy: 0.6803467650813333
Energy: 0.67813741936165
Energy: 0.6447241567572443
Energy: 0.9503072832877163
Energy: 0.6675509074322856
Energy: 0.6626091148574162
Energy: 0.6369438437496763
Energy: 0.6788554985085831
Energy: 0.659269276735351
Energy: 0.7053166577289329
Energy: 0.6340261026906919
Energy: 0.6622704497923637
Energy: 0.6844854343577849
Energy: 0.6464667732389736
Energy: 0.6590794262368638
Energy: 0.6738243055505297
Energy: 0.6392503151040103
Energy: 0.6394894406421091
Energy: 0.6743010988557451
Energy: 0.6576916845087196
Energy: 0.6510690998549632
Energy: 0.6945973173947885
Energy: 0.6340804508457262
Energy: 0.633847969204647
Energy: 0.6946030401055588
Energy: 0.6466036581437191
Energy: 0.6586838292174267
Energy: 0.6944118878063261
Energy: 0.6353735954801892
Energy: 0.6364914559138987
Energy: 0.694503956236342
Energy: 0.6641757471991163
Energy: 0.6815722716324626
Energy: 0.6792232515299266
Energy: 0.6509939606779984
Energy: 0.6736495974948888
Energy: 0.681549274820686
Energy: 0.6525416096337663
Energy: 0.6359414329262916
Energy: 0.647027645420253
Energy: 0.6355633233290529
Energy: 0.6353366936158628
Energy: 0.6632620510156126
Energy: 0.6628763393336006
Energy: 0.6785990595177133
Energy: 0.6518245774809156
Energy: 0.6687471161729656
Energy: 0.6679065713013699
Energy: 0.6503910830835877
Energy: 0.6939771658718019
Energy: 0.6385699558745704
Energy: 0.8128543070338305
Energy: 0.6946040260578994
Energy: 0.6902945349214336
Energy: 0.6819818094743133
Energy: 0.695811542682254
Energy: 0.6344932473053402
Energy: 0.6959120968010998
Energy: 0.6942775023154308
Energy: 0.6665403032279177
Energy: 0.659946260200741
Energy: 0.6941400885134332
Energy: 0.6345058112592138
Energy: 0.6932229468034039
Energy: 0.6489082797606702
Energy: 0.6480453512791889
Energy: 0.6593288329603189
Energy: 0.6826466675736181
Energy: 0.6587523035132892
Energy: 0.8126347635339334
Energy: 0.6517504677896233
Energy: 0.6380946173931062
Energy: 0.6762600161864825
Energy: 0.654825254614176
Energy: 0.6365469350550268
Energy: 0.6773043874066905
Energy: 0.6667116014466264
Energy: 0.6643058639255539
Energy: 0.6779280186775525
Energy: 0.6642093692372155
Energy: 0.6663903685464255
Energy: 0.6769587903350284
Energy: 0.6443471086870199
Energy: 0.6448250500474286
Energy: 0.677041363012523
Energy: 0.6440192850413532
Energy: 0.6449512099280239
Energy: 0.6988403730828867
Energy: 0.6341653283750557
Energy: 0.6345593878920814
Energy: 0.6578028666409843
Energy: 0.6346980960289559
Energy: 0.6585999450947128
Energy: 0.705384207019932
Energy: 0.6448942298163655
Energy: 0.6444957097399507
Energy: 0.6770781883014885
Energy: 0.6446803033131638
Energy: 0.6463972153734311
Energy: 0.7046956790742248
Energy: 0.6528091648755819
Energy: 0.6501703935467086
Energy: 0.6517650494673028
Energy: 0.6566642576348015
Energy: 0.6467613090814583
Energy: 0.7067085938458246
Energy: 0.6552583575644142
Energy: 0.6577874220281195
Energy: 0.6567364581961721
Energy: 0.6551632931298185
Energy: 0.6437676317465177
Energy: 0.7381508134172236
Energy: 0.644233337132179
Energy: 0.6500308475807055
Energy: 0.6593169001959327
Energy: 0.6769665006206039
Energy: 0.6226519739012442

minimum gb energy = 0.6226519739012442 eV
minimum distance =  2.37986435137 Angstroms
sigma value = 57


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

Energy: 0.35472845963257715
Energy: 0.3682952993272371
Energy: 0.3730576543782402
Energy: 0.35565342726982785
Energy: 0.3981480739069431
Energy: 0.3684992645498322
Energy: 0.3557204382774944
Energy: 0.3763316448374965
Energy: 0.38074555298257473
Energy: 0.39329085467371905
Energy: 0.37984292260573116
Energy: 0.37799536354029245
Energy: 0.4337406124670139
Energy: 0.37905404639574786
Energy: 0.3808661920990891
Energy: 0.3891866736532064
Energy: 0.3981765480151331
Energy: 0.3812382896435522
Energy: 0.4339217373558017
Energy: 0.3802924700290517
Energy: 0.3827362335436204
Energy: 0.3756227546184022
Energy: 0.40032595119959613
Energy: 0.3812859558767151
Energy: 0.4293493703461699
Energy: 0.37123290171491846
Energy: 0.37276069916815985
Energy: 0.399039622683135
Energy: 0.3569193227070811
Energy: 0.3792082576623049
Energy: 0.3970257335691614
Energy: 0.35810410301002515
Energy: 0.37009762885630954
Energy: 0.3757556402099389
Energy: 0.3598234112450083
Energy: 0.3726681881293059
Energy: 0.3912463495962672
Energy: 0.37721861123753503
Energy: 0.38251006999317566
Energy: 0.39220774018027404
Energy: 0.3720531364005003
Energy: 0.3786646515671517
Energy: 0.3968661970312301
Energy: 0.3792140114317532
Energy: 0.38364330941757147
Energy: 0.39735126435622026
Energy: 0.375052631164121
Energy: 0.38335817771266534
Energy: 0.4287806352031048
Energy: 0.37871426402155745
Energy: 0.38081001309098467
Energy: 0.3973104629209059
Energy: 0.3974577611716796
Energy: 0.3819712520681949
Energy: 0.3556809000709475
Energy: 0.381743430934195
Energy: 0.36726893685605905
Energy: 0.3560840462050826
Energy: 0.3952730060045822
Energy: 0.37248317409258525
Energy: 0.3557120631578851
Energy: 0.37898928161491174
Energy: 0.3787615079484476
Energy: 0.35622840309988674
Energy: 0.3733506427345324
Energy: 0.3575339071742932
Energy: 0.43098137099165307
Energy: 0.3862343107542673
Energy: 0.3776600276464694
Energy: 0.3945868558925988
Energy: 0.39537258889029764
Energy: 0.3772508791324945
Energy: 0.4341800547272166
Energy: 0.38984916867783886
Energy: 0.3932433616457112
Energy: 0.3774617291836275
Energy: 0.4347779104442526
Energy: 0.38707988090522155
Energy: 0.4296776481489359
Energy: 0.3933176937205819
Energy: 0.3785530509977542
Energy: 0.3948564801552775
Energy: 0.3948225239795719
Energy: 0.3781921054734124
Energy: 0.4338914570826338
Energy: 0.3611233274914293
Energy: 0.36675756530180925
Energy: 0.39696766077832357
Energy: 0.35694318721210244
Energy: 0.3699476846769037
Energy: 0.39417816628639574
Energy: 0.37891171415860536
Energy: 0.3783949614982601
Energy: 0.39548568333087974
Energy: 0.35730186918201706
Energy: 0.3794876693326499
Energy: 0.3967848243925601
Energy: 0.37598678152816656
Energy: 0.3793839462239256
Energy: 0.39714257947923
Energy: 0.3827585892554159
Energy: 0.3815570876231615
Energy: 0.43293113542323153
Energy: 0.37944504508762583
Energy: 0.380575869763601
Energy: 0.4337629139964285
Energy: 0.3748796046971149
Energy: 0.38294710170699964
Energy: 0.3557628655946482
Energy: 0.3773459157722449
Energy: 0.3819490583259076
Energy: 0.35626499323103833
Energy: 0.37413622674694785
Energy: 0.3803505790656046

minimum gb energy = 0.35472845963257715 eV
minimum distance =  2.45208718221379 Angstroms
sigma value = 11


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

Energy: 1.2704305800205016
Energy: 0.549786867195648
Energy: 0.5745025508893852
Energy: 0.5618776496514301
Energy: 0.551005963837055
Energy: 0.8349713262101404
Energy: 0.5639641713809398
Energy: 0.5530788647680792
Energy: 0.5532255949565426
Energy: 0.5477802525080699
Energy: 0.5486518906567157
Energy: 0.554010891435141
Energy: 0.5512139946734514
Energy: 0.5531756597795
Energy: 0.5534384542903291
Energy: 0.548464196425535
Energy: 0.553092683778927
Energy: 0.5484437725248267
Energy: 0.5509314129812174
Energy: 0.556803803471029
Energy: 0.5566192395191554
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Energy: 0.5491156158592169
Energy: 0.5535093186614177
Energy: 0.54972422413802
Energy: 0.5966403529268326
Energy: 0.5963842811251618
Energy: 0.5631187195876156
Energy: 0.5538753140482177
Energy: 0.5535800891833701
Energy: 0.5882361909583864
Energy: 0.5528653689807183
Energy: 0.5558934362886566
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Energy: 0.555510619744869
Energy: 0.5876175274072403
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Energy: 0.5641848555627659
Energy: 0.5603376434291711
Energy: 0.5620800243927928
Energy: 0.5557319396618287
Energy: 0.5595965329278066
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Energy: 0.5884830425367907
Energy: 0.5497729903739619
Energy: 0.5572674244697662
Energy: 0.5582695616468749
Energy: 0.5474148162894428
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Energy: 0.7671840820021142
Energy: 0.5917133263870039
Energy: 0.5540308289775515
Energy: 0.5532663519453127
Energy: 0.6019131981867628
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Energy: 0.6010665487258365
Energy: 0.5970403974178574
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Energy: 0.5585474347798296
Energy: 0.6515694330475681
Energy: 0.6427732177211202
Energy: 0.6403872463878725
Energy: 0.5579135466532309
Energy: 0.6467874341041804
Energy: 0.6403875580528584
Energy: 0.6542507953576397
Energy: 0.5644109293661818
Energy: 0.5609358960105643
Energy: 0.6108596095964882
Energy: 0.5609738738712003
Energy: 0.6038762943244279
Energy: 0.8007593588745422
Energy: 0.6426110961225387
Energy: 0.6404894865573247
Energy: 0.5993411797299402
Energy: 0.6012276143732551
Energy: 0.640412253057492
Energy: 0.903465756053105
Energy: 0.5543405306124889
Energy: 0.5590407787861964
Energy: 0.6750112926876873
Energy: 0.6105833382405143
Energy: 0.560927748943984
Energy: 0.6223895086176843
Energy: 0.5919003335045667
Energy: 0.5943334760317995
Energy: 0.5622638240247005
Energy: 0.5991062646036581
Energy: 0.5965782940801826
Energy: 0.618176402339123
Energy: 0.553628445295875
Energy: 0.5539070481328497
Energy: 0.5543072116717072
Energy: 0.5540572924461906
Energy: 0.5565724906851947
Energy: 0.7385518612408062
Energy: 0.5542394820214053
Energy: 0.5554445926243439
Energy: 0.5511862677374467
Energy: 0.5611124481250853
Energy: 0.5583992280835774
Energy: 0.8007374768168626
Energy: 0.6005555796938372
Energy: 0.5979811166659659
Energy: 0.6079765184794776
Energy: 0.6430849671896761
Energy: 0.5947272553492924
Energy: 0.7726965510046796
Energy: 0.554506387587743
Energy: 0.5582456124032884
Energy: 0.8205563909271898
Energy: 0.5609895152373274
Energy: 0.5604066072670838
Energy: 0.5482453829597613
Energy: 0.6008284624628712
Energy: 0.5977202543783455
Energy: 0.5533462271325778
Energy: 0.6005360021906693
Energy: 0.5968721152423139
Energy: 0.5544339424559086
Energy: 0.5506374172164028
Energy: 0.5543225648029321
Energy: 0.5554982108066614
Energy: 0.5490298666345456
Energy: 0.549841377482683
Energy: 0.6311486745913041
Energy: 0.5485255000080006
Energy: 0.5564369012698465
Energy: 0.6234523318489346
Energy: 0.5473834783536473
Energy: 0.556037437610559
Energy: 0.6158879776380497
Energy: 0.548083471853104
Energy: 0.5538359823308516
Energy: 0.546002384831629
Energy: 0.5474890577907703
Energy: 0.5534380719570006

minimum gb energy = 0.5366049613533694 eV
minimum distance =  2.41420318327213 Angstroms
sigma value = 41


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

Energy: 1.2015206787051953
Energy: 0.6129286541176567
Energy: 0.6134051409317286
Energy: 0.6601126037012394
Energy: 0.744942201051761
Energy: 0.6598370512526257
Energy: 0.6103778306188412
Energy: 0.584903139055187
Energy: 0.5838873432309222
Energy: 0.5848336956187128
Energy: 0.5847643438396335
Energy: 0.5838112853082816
Energy: 0.5914090252339057
Energy: 0.5839745824844529
Energy: 0.5843117028790435
Energy: 0.5861439995519193
Energy: 0.5857337519229421
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Energy: 0.5912834998047556
Energy: 0.5869684809523672
Energy: 0.5870408820860783
Energy: 0.5871562986151774
Energy: 0.5849079265447747
Energy: 0.5861121445081274
Energy: 0.5882530272732256
Energy: 0.5957735925404846
Energy: 0.5867982941430774
Energy: 0.599422835232189
Energy: 0.5879888443942352
Energy: 0.5862937786870605
Energy: 0.6476528983666029
Energy: 0.5857042134495498
Energy: 0.5894297747975059
Energy: 0.598378391909164
Energy: 0.5865762754019755
Energy: 0.5890070703115827
Energy: 0.6493705079996733
Energy: 0.5856898214942434
Energy: 0.5871574407231885
Energy: 0.5865133501797577
Energy: 0.5949407523315637
Energy: 0.5866420348316558
Energy: 0.6103976784497572
Energy: 0.6164977232892557
Energy: 0.6167844626630699
Energy: 0.5643532593814292
Energy: 0.616400542915072
Energy: 0.580260626441049
Energy: 0.6486495990534482
Energy: 0.5858622708197424
Energy: 0.5836831545737499
Energy: 0.5958766749540144
Energy: 0.5857817844692659
Energy: 0.5844029372419587
Energy: 0.8681737319404981
Energy: 0.5968554284831867
Energy: 0.5847102766999787
Energy: 0.5860613714976406
Energy: 0.5988326724185548
Energy: 0.5841849225920538
Energy: 0.6478600209248366
Energy: 0.5848845575422845
Energy: 0.5841689571014773
Energy: 0.5860116946746677
Energy: 0.5944971466130278
Energy: 0.5825068962002137
Energy: 0.668844263733951
Energy: 0.5647219098157603
Energy: 0.5653749251750274
Energy: 0.5987759255957454
Energy: 0.5649591716373366
Energy: 0.5843553237586012
Energy: 0.5862562387073337
Energy: 0.564318306840002
Energy: 0.5646391874040084
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Energy: 0.5648882670128221
Energy: 0.5878053081673322
Energy: 0.5861756623790803
Energy: 0.5844529879605295
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Energy: 0.6167919760110724
Energy: 0.6094703787143352
Energy: 0.6095945019733462
Energy: 0.6169232441673855
Energy: 0.5884517563356328
Energy: 0.6099208816555334
Energy: 0.588443234796005
Energy: 0.5879408932143987
Energy: 0.5854921233559881
Energy: 0.5953097976440141
Energy: 0.5842872074699423
Energy: 0.586310889802837
Energy: 1.1245485886590139
Energy: 0.5948184958710884
Energy: 0.5936678944337157
Energy: 0.5656079968344909
Energy: 0.5959596877598395
Energy: 0.5642208330051478
Energy: 0.6103866504144396
Energy: 0.5876441001109752
Energy: 0.5861580624591106
Energy: 0.5622327017506983
Energy: 0.5945813364719167
Energy: 0.5647779213810469
Energy: 0.5907507363585295
Energy: 0.5861889501568899
Energy: 0.5839919460715038
Energy: 0.5862073284811624
Energy: 0.5868455380763218
Energy: 0.5860088297241208
Energy: 0.5895195256754994
Energy: 0.5854727445760619
Energy: 0.5836646129908897
Energy: 0.5858611634380029
Energy: 0.5865000948926359
Energy: 0.5839512824361895
Energy: 0.5882266071681608
Energy: 0.583548663590418
Energy: 0.5833737859960627
Energy: 0.5877980103361969
Energy: 0.5841389455879878
Energy: 0.5840781132207292
Energy: 0.6527409364810755
Energy: 0.582399648807993
Energy: 0.6357807354795608
Energy: 0.9288548831202511
Energy: 0.5839740491945163
Energy: 0.6295923521912097
Energy: 0.6488368349415716
Energy: 0.5857174495461067
Energy: 0.5841443273459256
Energy: 0.5988011072699608
Energy: 0.5844046909481184
Energy: 0.5840710505967261
Energy: 0.6107171326672695
Energy: 0.5886228374569538
Energy: 0.5859253210973397
Energy: 0.5646019071550717
Energy: 0.5882875554369363
Energy: 0.5706207480934921
Energy: 0.6493958471258392
Energy: 0.5848033925783999
Energy: 0.5864719995403704
Energy: 0.5953643779680037
Energy: 0.5869248790624999
Energy: 0.5864822091479541
Energy: 0.6477894463368217
Energy: 0.5850162772213406
Energy: 0.5850216367407984
Energy: 0.5867991429496813
Energy: 0.5988474727382986
Energy: 0.5816486743204373
Energy: 0.8680109241709018
Energy: 0.5961629311446109
Energy: 0.5856597747406608
Energy: 0.5859101688721199
Energy: 0.5993614153150759
Energy: 0.5862763122235924
Energy: 0.645954437529313
Energy: 0.5945117525513809
Energy: 0.5894028940179707
Energy: 0.5942815400284998
Energy: 0.5801914165304392
Energy: 0.5880097864582668
Energy: 0.5868996692519135
Energy: 0.5645282893771139
Energy: 0.5645128234706139
Energy: 0.5992373555637925
Energy: 0.5640957132444089
Energy: 0.5650811780909962
Energy: 0.6796307045027933
Energy: 0.586810651053578
Energy: 0.5871612101568384
Energy: 0.5842444781404422
Energy: 0.5927504383143463
Energy: 0.5875371080250588
Energy: 0.5876476076380108
Energy: 0.5840075162032589
Energy: 0.5835159076471204
Energy: 0.5878686556620968
Energy: 0.5863392144429919
Energy: 0.58422598472776
Energy: 0.5891644550990743
Energy: 0.5837242668068577
Energy: 0.5855629416767273
Energy: 0.5868142874864126
Energy: 0.585371535847343
Energy: 0.5839554873582431
Energy: 0.6823016213968427
Energy: 0.5851431410199974
Energy: 0.5651199420043779
Energy: 0.5718493298248873
Energy: 0.5951000805717829
Energy: 0.5650797879071293

minimum gb energy = 0.5622327017506983 eV
minimum distance =  2.39572382282912 Angstroms
sigma value = 33


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

Energy: 0.7740905003536783
Energy: 0.6277348605108887
Energy: 0.6267845934293943
Energy: 0.6223093340119636
Energy: 0.672959289389289
Energy: 0.6264263136167637
Energy: 0.6683475515765707
Energy: 0.6208709580047614
Energy: 0.6205203194829471
Energy: 0.6294676294039441
Energy: 0.6302461475813012
Energy: 0.620448839234291
Energy: 0.6397401697905739
Energy: 0.6225686994139651
Energy: 0.62441578828073
Energy: 0.6226401366541158
Energy: 0.6217360978385422
Energy: 0.6232417184749262
Energy: 0.6466947828560086
Energy: 0.6217412351720077
Energy: 0.6242213486398481
Energy: 0.622840589912433
Energy: 0.6219555296253518
Energy: 0.6234693044160026
Energy: 0.6381083095717326
Energy: 0.6240978719417016
Energy: 0.6054037262600241
Energy: 0.6381395533008645
Energy: 0.6326905773211623
Energy: 0.620999995342732
Energy: 0.6987868591366092
Energy: 0.6244649955784788
Energy: 0.6247114506419735
Energy: 0.6748816352000417
Energy: 0.6250851141365651
Energy: 0.6257565739984311
Energy: 0.671623297744654
Energy: 0.6074861131901039
Energy: 0.6324065994552467
Energy: 0.6303356706938311
Energy: 0.6446700021059601
Energy: 0.6318471940456208
Energy: 0.6682037295228203
Energy: 0.6452865636511023
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Energy: 0.6055295411421997
Energy: 0.6684279790134563
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Energy: 0.670497028704849
Energy: 0.6051419371931644
Energy: 0.605638410414254
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Energy: 0.6078540674478635
Energy: 0.7197158817630569
Energy: 0.6207254944517383
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Energy: 0.6266114027082481
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Energy: 0.6232125126597776
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Energy: 0.6700917772520298
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Energy: 0.6037691859482434
Energy: 0.6439412102292966
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Energy: 0.6033316760089839
Energy: 0.6746391336873491
Energy: 0.6038471086236419
Energy: 0.603453252111706
Energy: 0.6087006863694999
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Energy: 0.603019891719262
Energy: 0.6409728592332108
Energy: 0.6307699270814011
Energy: 0.6219648646501303
Energy: 0.6342029848522551
Energy: 0.6295661194126925
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Energy: 0.6032986495122765
Energy: 0.6212855522428635
Energy: 0.6219501976005004
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Energy: 0.6375197599122144
Energy: 0.6282426187977307
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Energy: 0.6368843650045207
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Energy: 0.6266545145957542
Energy: 0.6216083798137375
Energy: 0.6257091688821367
Energy: 0.606150346082646
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Energy: 0.6726420420743442
Energy: 0.6051606196753037
Energy: 0.6052064098791697
Energy: 0.644662592651908
Energy: 0.6071260134481387
Energy: 0.6057910722150707
Energy: 0.6449003472477871
Energy: 0.6036455888927525
Energy: 0.6051331569284389
Energy: 0.6249086937693579
Energy: 0.6054311266916115
Energy: 0.6215235557539428
Energy: 0.6057562318742371
Energy: 0.6046908926219438
Energy: 0.6039505820152705
Energy: 0.6058390082756641
Energy: 0.6050478229888294
Energy: 0.6247088143361682
Energy: 0.605426699381994
Energy: 0.6070517566731496
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Energy: 0.6076020047687221
Energy: 0.670081584599272
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Energy: 0.6275929619202584
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Energy: 0.621326463047518
Energy: 0.6373095852985038
Energy: 0.6202433708200921
Energy: 0.6216136994550481
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Energy: 0.6268070066275974
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Energy: 0.6705371192427508
Energy: 0.6189388992262999
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Energy: 0.6040695243767944
Energy: 0.6210332084280552
Energy: 0.6036328439486576
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Energy: 0.6301210479831006
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Energy: 0.6053642315854707
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Energy: 0.7176597500234158
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Energy: 0.6281673716909644
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Energy: 0.6280516678277136
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Energy: 0.7634979580690427
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Energy: 0.6039467280958138
Energy: 0.6034003458957896
Energy: 0.6110446329126946
Energy: 0.6030460399233247

minimum gb energy = 0.603019891719262 eV
minimum distance =  2.39953008450471 Angstroms
sigma value = 67


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

Energy: 0.900240269350046
Energy: 0.6577967268518872
Energy: 0.6571484624638729
Energy: 0.6555957866820246
Energy: 0.6853413605414439
Energy: 0.6574913418735097
Energy: 0.721791742133478
Energy: 0.6483548211682432
Energy: 0.6476601363051988
Energy: 0.6482737968173774
Energy: 0.6492689835708952
Energy: 0.6473951298906716
Energy: 0.678572719829096
Energy: 0.6281369161350056
Energy: 0.6503918558763794
Energy: 0.6505740196960751
Energy: 0.6263162390349465
Energy: 0.6501839048088506
Energy: 0.678871490143362
Energy: 0.6492647829855073
Energy: 0.6498435018630628
Energy: 0.648504482463135
Energy: 0.6495404194239945
Energy: 0.6499121646044862
Energy: 0.677841058333453
Energy: 0.649285984569573
Energy: 0.6501696650350631
Energy: 0.678194996416932
Energy: 0.6492526837254453
Energy: 0.6503987180580347
Energy: 0.6793589933350823
Energy: 0.6521395005569073
Energy: 0.6513704624247038
Energy: 0.6797108263031378
Energy: 0.6516216680516341
Energy: 0.6518393455101655
Energy: 0.7219858482246324
Energy: 0.6491453884368137
Energy: 0.6478615105166684
Energy: 0.624552214851103
Energy: 0.6492313518233092
Energy: 0.6473553689748568

minimum gb energy = 0.624552214851103 eV
minimum distance =  2.43114047721654 Angstroms
sigma value = 3


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

Energy: 0.9898281901446085
Energy: 0.7915467222079591
Energy: 0.7375937771771952
Energy: 0.7273887839556548
Energy: 1.2302042467746572
Energy: 0.7309892583524842
Energy: 0.7267741824635292
Energy: 0.7485095733573647
Energy: 0.7312265446805333
Energy: 0.7539698640101506
Energy: 0.7623431772096151
Energy: 0.7189837764393062
Energy: 0.7724390808510311
Energy: 0.729062506537073
Energy: 0.7245880123808056
Energy: 0.7182465085793915
Energy: 0.7294377733566552
Energy: 0.7213173940158487
Energy: 0.718538634333386
Energy: 0.7236416675867237
Energy: 0.7202957773058906
Energy: 0.7194034891779932
Energy: 0.7242410116450078
Energy: 0.7212349225646872
Energy: 0.7260812679408334
Energy: 0.7147153911246806
Energy: 0.7141850773125186
Energy: 0.7268343782715806
Energy: 0.7287191266546746
Energy: 0.7157512251283403
Energy: 0.7167217500272144
Energy: 0.7178295338453806
Energy: 0.7166275025743629
Energy: 0.7184215605348158
Energy: 0.7280810269697635
Energy: 0.7158209853733245
Energy: 0.7223832835651877
Energy: 0.7359427723915933
Energy: 0.7350059785690966
Energy: 0.717591324857842
Energy: 0.7379335755286921
Energy: 0.7307918548879073
Energy: 0.9672348518278738
Energy: 0.7563326127535993
Energy: 0.7766764753084455
Energy: 0.7148366328189825
Energy: 0.7251254180739836
Energy: 0.7659202724307246
Energy: 0.7241453826260815
Energy: 0.7288135155769357
Energy: 0.7236176029959428
Energy: 0.7214245144255659
Energy: 0.7269773444196642
Energy: 0.7392441986880812
Energy: 0.7180347710202718
Energy: 0.7113224193902807
Energy: 0.7111219685006305
Energy: 0.7726512325085624
Energy: 0.7110204016272993
Energy: 0.7481458802228192
Energy: 0.7251133742985305
Energy: 0.7177182037534824
Energy: 0.7260020984770205
Energy: 0.7514085406102434
Energy: 0.7170014886777926
Energy: 0.732990886650559
Energy: 0.7616850996767864
Energy: 0.713852870165357
Energy: 0.7129729857117629
Energy: 0.7239258245997904
Energy: 0.7209232803791533
Energy: 0.7227196306416271
Energy: 0.7431952830273448
Energy: 0.7117638783075233
Energy: 0.7116027262506872
Energy: 0.7093462509962695
Energy: 0.7121259581415249
Energy: 0.7113163785443136
Energy: 0.7694052875113566
Energy: 0.716364476039472
Energy: 0.7120754539979596
Energy: 0.7358110450383549
Energy: 0.7132116719182346
Energy: 0.7120203725079668
Energy: 0.7779390941034586
Energy: 0.7678081584687656
Energy: 0.8125324391172536
Energy: 0.7288106775433861
Energy: 0.7674630081504522
Energy: 0.7169779434565821
Energy: 0.7521189546482975
Energy: 0.7562046437582368
Energy: 0.722744157954386
Energy: 0.7413549282536188
Energy: 0.7598613894628035
Energy: 0.7291584817971554
Energy: 0.8382961367458526
Energy: 0.7246998437913437
Energy: 0.72365597615157
Energy: 0.8392093940688768
Energy: 0.7251946612213743
Energy: 0.7373498296604729
Energy: 0.7329915670194599
Energy: 0.7382185158321597
Energy: 0.7289491467264194
Energy: 0.7267399615416985
Energy: 0.72448780455232
Energy: 0.7345814964927567
Energy: 0.8425706489487471
Energy: 0.7161359472940915
Energy: 0.7148739068979268
Energy: 0.7321169755634309
Energy: 0.7576557909025339
Energy: 0.7139121049113376
Energy: 0.8099805710513739
Energy: 0.7207754770653385
Energy: 0.7219040804350976
Energy: 0.7591795350615173
Energy: 0.7239036230295361
Energy: 0.7147776643593496
Energy: 0.7279320706626176
Energy: 0.7259356234318685
Energy: 0.7345576288790249
Energy: 0.7196742568817022
Energy: 0.7303994341892701
Energy: 0.7341519601033674
Energy: 0.7287395063034231
Energy: 0.7201097256962544
Energy: 0.723197953739797
Energy: 0.7299157269402763
Energy: 0.7248142187630272
Energy: 0.7219346492468096
Energy: 0.7322905724824234
Energy: 0.7307256022720671
Energy: 0.7285217613260583
Energy: 0.7332349760951006
Energy: 0.7196697445393643
Energy: 0.726619360784153
Energy: 0.734444217357602
Energy: 0.7132838153912763
Energy: 0.713019943891745
Energy: 0.7347747855888499
Energy: 0.7135453060915156
Energy: 0.728808950579505
Energy: 0.7321207893261757
Energy: 0.728209414380455
Energy: 0.7289923355042618
Energy: 0.7233002341016879
Energy: 0.7411646123457688
Energy: 0.7280151841105765
Energy: 0.8640080019766689
Energy: 0.7682045273397398
Energy: 0.7859387816981166
Energy: 0.7331241164837005
Energy: 0.7715372277460829
Energy: 0.731882944120774
Energy: 0.7016028734337131
Energy: 0.7501873479140673
Energy: 0.7498864820614553
Energy: 0.7424179534029279
Energy: 0.7445075887551338
Energy: 0.7301348220169335
Energy: 0.7341319715878873
Energy: 0.7268894372370609
Energy: 0.7286796294178566
Energy: 0.7287135862498648
Energy: 0.7300819549059612
Energy: 0.7284488083827206
Energy: 0.7286433688141718
Energy: 0.7229300040259885
Energy: 0.7249362113507478
Energy: 0.7289841039481378
Energy: 0.7304087348475414
Energy: 0.734510453900735
Energy: 0.729619540466525
Energy: 0.73409311881219
Energy: 0.7293472967009952
Energy: 0.7309697881788078
Energy: 0.7274127739408957
Energy: 0.7316423331189958
Energy: 0.72905274402074
Energy: 0.7299840992630892
Energy: 0.7295010056536759
Energy: 0.7300117809872136
Energy: 0.7838100789193688
Energy: 0.7308869135999674
Energy: 0.735183227479331
Energy: 0.7298656910518164
Energy: 0.7328651387199348
Energy: 0.7405053574533434
Energy: 0.7302601994142867
Energy: 0.7368658748354282
Energy: 0.8474358487621367
Energy: 0.7271112063571864
Energy: 0.7401627593339748
Energy: 0.7143955489372127
Energy: 0.7369281284600787
Energy: 0.7227160580293319
Energy: 0.7087157408095428
Energy: 0.7448221072124528
Energy: 0.7462684749150684
Energy: 0.7474280763837952
Energy: 0.7296725002205252
Energy: 0.7191946760459657
Energy: 0.7353644875294763
Energy: 0.7526682457118248
Energy: 0.7468889855350528
Energy: 0.7264000002088692
Energy: 0.7371113173140125
Energy: 0.7340109505310114
Energy: 0.7631118966069997
Energy: 0.7112390268021075
Energy: 0.7114814286529652
Energy: 0.7640794230375808
Energy: 0.7107545042535822
Energy: 0.7480861111319563
Energy: 0.7545980479825826
Energy: 0.7335351663847406
Energy: 0.7355024840890704
Energy: 0.7337617359216354
Energy: 0.7118744583924058
Energy: 0.7260211128492788
Energy: 0.7442266304785421
Energy: 0.7137953732338123
Energy: 0.7131295670429686
Energy: 0.7089660400115314
Energy: 0.7180571345727733
Energy: 0.7608757614661676
Energy: 0.7754474495748258
Energy: 0.7184727908734967
Energy: 0.7118150550825313
Energy: 0.739074877819995
Energy: 0.7161369060249637
Energy: 0.72118751484287
Energy: 0.7777728381254794
Energy: 0.7151937370586476
Energy: 0.7152019428287371
Energy: 0.7282420170190157
Energy: 0.7154695826778006
Energy: 0.714162504570565
Energy: 0.7378462914987834
Energy: 0.7103881353274794
Energy: 0.7108448199996115
Energy: 0.7544349445071886
Energy: 0.754893208753928
Energy: 0.7544968012189551
Energy: 0.7750553776146238
Energy: 0.7321733088959054
Energy: 0.7595378190127922
Energy: 0.7634468960342841
Energy: 0.7291516567691186
Energy: 0.7385018260692487
Energy: 0.895533926523369
Energy: 0.723945854403664
Energy: 0.7238006709578536
Energy: 0.7869192622914581
Energy: 0.7234448450135046
Energy: 0.7569295900840931
Energy: 0.721827970671266
Energy: 0.7544378742473099
Energy: 0.7562023433141181
Energy: 0.7183972403180637
Energy: 0.7586858858648301
Energy: 0.7507777445434425
Energy: 1.041094219182132
Energy: 0.7187666932942455
Energy: 0.735559545699884
Energy: 0.7773069877566182
Energy: 0.7186602339529609
Energy: 0.7361063905954085
Energy: 0.7215282819968074
Energy: 0.7163160344118235
Energy: 0.7174189988815859
Energy: 0.717278181562678
Energy: 0.7181452205625565
Energy: 0.7187726698711894
Energy: 0.7168570188894721
Energy: 0.7218512071683659
Energy: 0.7188221733474588
Energy: 0.7228448529303989
Energy: 0.7190940426388819
Energy: 0.7180315293679871
Energy: 0.7156750422241448
Energy: 0.7195287225638698
Energy: 0.7285509346053805
Energy: 0.7155127629930923
Energy: 0.7143083391363908
Energy: 0.7294232006182336
Energy: 0.7145414512179392
Energy: 0.7155489500745082
Energy: 0.7205634064648425
Energy: 0.7151912077884831
Energy: 0.7250753757634533
Energy: 0.7140986677262695
Energy: 0.7237873485313833
Energy: 0.7105237679392274
Energy: 0.7150143857053316
Energy: 0.7274372843415622
Energy: 0.7132200741731403
Energy: 0.7239571394673372
Energy: 0.7249906544541662
Energy: 0.7386119053705915
Energy: 0.7265962846418222
Energy: 0.7401650515897213
Energy: 0.7356429341588403
Energy: 0.7229490433663299

minimum gb energy = 0.7016028734337131 eV
minimum distance =  2.35459529999445 Angstroms
sigma value = 81


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

Energy: 1.286671495220822
Energy: 0.6967121630192318
Energy: 0.6920822138094078
Energy: 0.6865831362986501
Energy: 0.7400783384592778
Energy: 0.6991695334632764
Energy: 0.6871736866090054
Energy: 0.7108085574770536
Energy: 0.713003918451516
Energy: 0.7130235200713448
Energy: 0.7123468976700589
Energy: 0.7122433898601368
Energy: 0.7101785916597663
Energy: 0.6962500126454658
Energy: 0.6964736920949265
Energy: 0.7126655603388031
Energy: 0.6986827423109362
Energy: 0.73380630506224
Energy: 0.7077291541525967
Energy: 0.6957525127043651
Energy: 0.705794125703459
Energy: 0.7080522916321766
Energy: 0.694016135883497
Energy: 0.7102725519516139
Energy: 0.7087626763413507
Energy: 0.7086545334174471
Energy: 0.7073588263266776
Energy: 0.7110189073745851
Energy: 0.7123986970628259
Energy: 0.7116016776745926
Energy: 0.7082758404300962
Energy: 0.7111244219572426
Energy: 0.7122472319560202
Energy: 0.711329385147437
Energy: 0.7113934028452933
Energy: 0.7124494277082133
Energy: 0.7076212421551047
Energy: 0.7035866346218576
Energy: 0.703261229504875
Energy: 0.7400059040089368
Energy: 0.7080530583972033
Energy: 0.7206674773237921
Energy: 0.8689940220516212
Energy: 0.7612290274528941
Energy: 0.7608661815550042
Energy: 0.6947111043603611
Energy: 0.8401354068909941
Energy: 0.7113051138447867
Energy: 0.7025385569621717
Energy: 0.7100414030021418
Energy: 0.7030352441579935
Energy: 0.7524246661777405
Energy: 0.6924002466459912
Energy: 0.7062125889814329
Energy: 0.736057198612736
Energy: 0.6557421370694515
Energy: 0.655677784633832
Energy: 0.7283362263859504
Energy: 0.6559922994569392
Energy: 0.6555546830313995
Energy: 0.7077794580847526
Energy: 0.6706259786132401
Energy: 0.6551870390510345
Energy: 0.7055609865734666
Energy: 0.6699711536105959
Energy: 0.7054264221990828
Energy: 0.6921913870893989
Energy: 0.7021037159589874
Energy: 0.7020719710238414
Energy: 0.6923333876765725
Energy: 0.7080357395154548
Energy: 0.7108700099772653
Energy: 0.6926354555440424
Energy: 0.7169863656090687
Energy: 0.7020773653018589
Energy: 0.6975732539914523
Energy: 0.7214476997708477
Energy: 0.6959404380112332
Energy: 0.7285406692846567
Energy: 0.7197106502091911
Energy: 0.7192921776998488
Energy: 0.7188735395158113
Energy: 0.7192342038530827
Energy: 0.7212516721794255
Energy: 0.8084186333523309
Energy: 0.7418180964103238
Energy: 0.7226034770088176
Energy: 0.7288726219903048
Energy: 0.7191719423150948
Energy: 0.7230507900036659
Energy: 0.7269304156475342
Energy: 0.7195926182603976
Energy: 0.7207307306474345
Energy: 0.727359730994819
Energy: 0.717783550155107
Energy: 0.7222672128080565
Energy: 0.8089247047056557
Energy: 0.6942858393429702
Energy: 0.6942678649753931
Energy: 0.8091993901810682
Energy: 0.6944806191124582
Energy: 0.7081650859413193
Energy: 0.6963421191464121
Energy: 0.7198401895233979
Energy: 0.7144212213364446
Energy: 0.6886936120616437
Energy: 0.7489290226861202
Energy: 0.7093963626806296
Energy: 0.6578223496710601
Energy: 0.7128280625204666
Energy: 0.658402830701826
Energy: 0.6683827269775529
Energy: 0.7121538666308951
Energy: 0.659407729933624
Energy: 0.7937275549680187
Energy: 0.7128079655755009
Energy: 0.6584701056333858
Energy: 0.6557861954307912
Energy: 0.7167358938016495
Energy: 0.6598992813023692
Energy: 0.6953942914043236
Energy: 0.7060707771082017
Energy: 0.7088325457436429
Energy: 0.689902153011533
Energy: 0.7051577716971675
Energy: 0.7090126219594478
Energy: 0.7203256202780234
Energy: 0.6976674445342982
Energy: 0.6973696363193517
Energy: 0.7301800585280395
Energy: 0.697000419686581
Energy: 0.7054825942089158
Energy: 0.7221402193719503
Energy: 0.7188577786368312
Energy: 0.717507750037509
Energy: 0.7217703805213579
Energy: 0.7201822301733843
Energy: 0.7205431814438116
Energy: 0.7219625542928167
Energy: 0.7223614113674794
Energy: 0.7204994160719
Energy: 0.7216821644226159
Energy: 0.7219265624814147
Energy: 0.7202912853972174
Energy: 0.722995081588072
Energy: 0.7204753122144384
Energy: 0.7212822566954212
Energy: 0.7191848193965684
Energy: 0.7193489760815407
Energy: 0.7202225407537683
Energy: 0.7967920803292139
Energy: 0.7585483802963052
Energy: 0.758881904027807
Energy: 0.695302717145486
Energy: 0.754064006756053
Energy: 0.7588305227006625
Energy: 0.795730565544543
Energy: 0.7031601677978563
Energy: 0.7016146732388732
Energy: 0.6850029611390457
Energy: 0.7695487073006922
Energy: 0.70588828035138
Energy: 0.7029345079199172
Energy: 0.6711185516442122
Energy: 0.7055827266809395
Energy: 0.7006093797196244
Energy: 0.6700258123659895
Energy: 0.7052694834916494
Energy: 0.7088946823437242
Energy: 0.6559461183242336
Energy: 0.6558439529484521
Energy: 0.7348515340583989
Energy: 0.6562408788201705
Energy: 0.658248446898194
Energy: 0.7055031935726839
Energy: 0.7020298767693895
Energy: 0.703574456616162
Energy: 0.7044252805620507
Energy: 0.6927813083906468
Energy: 0.7112365900871856
Energy: 0.6933066056081242
Energy: 0.7187251417999324
Energy: 0.704147397410614
Energy: 0.6955646199074068
Energy: 0.7413978277740694
Energy: 0.6965326494327059
Energy: 0.71279598686641
Energy: 0.6903806550770918
Energy: 0.7036295666244141
Energy: 0.6910881480076785
Energy: 0.6919666675955326
Energy: 0.7159232853743158
Energy: 0.8033137362904075
Energy: 0.7099093982253151
Energy: 0.7105472242997473
Energy: 0.7162634028215682
Energy: 0.7077312815102507
Energy: 0.7105738911070474
Energy: 0.7137875946202696
Energy: 0.7074018970333591
Energy: 0.7074511600141392
Energy: 0.7189757685750824
Energy: 0.7123798516010452
Energy: 0.713842735374442
Energy: 0.715620745854709
Energy: 0.7122811465626775
Energy: 0.7145003686982834
Energy: 0.7162539354165515
Energy: 0.694703999342859
Energy: 0.7119778662610436
Energy: 0.8479590833736187
Energy: 0.6948628647955444
Energy: 0.6950948684260185
Energy: 0.85249402887463
Energy: 0.6947785952630418
Energy: 0.7861080410490181
Energy: 0.70710201662668
Energy: 0.710554358578689
Energy: 0.7122558546400827
Energy: 0.7132484790113586
Energy: 0.6953470389819167
Energy: 0.7143750280192236
Energy: 0.8437891855222185
Energy: 0.7158637339238152
Energy: 0.6989109167395491
Energy: 0.6792646477892424
Energy: 0.7170534120639074
Energy: 0.6864035829465399

minimum gb energy = 0.6551870390510345 eV
minimum distance =  2.37766720160625 Angstroms
sigma value = 43


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

Energy: 1.2443887954195958
Energy: 0.8206319321693725
Energy: 0.6966211215325229
Energy: 0.7027713519691298
Energy: 0.7932075673966729
Energy: 0.7011137806143046
Energy: 0.6794349898478066
Energy: 0.7039675723131587
Energy: 0.6970735395004051
Energy: 0.7308879580831759
Energy: 0.6986350694772545
Energy: 0.691769143662875
Energy: 0.6870189980150118
Energy: 0.6751934508974126
Energy: 0.6811396232582957
Energy: 0.6865033672405204
Energy: 0.6751338496086962
Energy: 0.6884572707489952
Energy: 0.6884933961024609
Energy: 0.6795496812891197
Energy: 0.6923459197592321
Energy: 0.6886436869468004
Energy: 0.6900036275838869
Energy: 0.6914297383200981
Energy: 0.6873211429450268
Energy: 0.694240661176862
Energy: 0.6909451012610216
Energy: 0.6914839499976602
Energy: 0.6927958910058475
Energy: 0.6910589679683481
Energy: 0.6878861779674074
Energy: 0.6925528484184007
Energy: 0.6932951719436383
Energy: 0.6902724802506796
Energy: 0.6909427098771032
Energy: 0.6927351368872876
Energy: 0.6883185715532434
Energy: 0.6879432684825929
Energy: 0.692614803864872
Energy: 0.6921125393442119
Energy: 0.6879905499675262
Energy: 0.6906787848254091
Energy: 0.7828536485295186
Energy: 0.6870845176331889
Energy: 0.687063254006576
Energy: 0.6946494706240514
Energy: 0.6868721032531397
Energy: 0.6868799629927002
Energy: 0.6871223609261747
Energy: 0.6889540107351354
Energy: 0.6918384961655705
Energy: 0.6897279045388229
Energy: 0.730141784692342
Energy: 0.6907628097871238
Energy: 0.6873096479263248
Energy: 0.6903860941989284
Energy: 0.6901806828246644
Energy: 0.7050537951530372
Energy: 0.6907562290369031
Energy: 0.6923265906775649
Energy: 0.6973279751217344
Energy: 0.698774029792185
Energy: 0.6990184075704593
Energy: 0.6919016191396435
Energy: 0.7043332969620985
Energy: 0.7011573922835269
Energy: 0.6982516629752679
Energy: 0.6881877519034886
Energy: 0.6881671714499309
Energy: 0.6916843547832359
Energy: 0.6883363224319902
Energy: 0.6887185921704477
Energy: 0.8122801176965306
Energy: 0.6878561780547042
Energy: 0.7007467693989182
Energy: 0.6838505643478855
Energy: 0.6872766509036209
Energy: 0.7015726938140674
Energy: 0.6961279393195982
Energy: 0.6907719437217708
Energy: 0.6973058052808933
Energy: 0.6952981680110975
Energy: 0.6880061478552518
Energy: 0.69762122847207
Energy: 0.699464309144523
Energy: 0.701535411334029
Energy: 0.7141468077526208
Energy: 0.7035505908770069
Energy: 0.6894878056463457
Energy: 0.7140857244554062
Energy: 0.6949995077234269
Energy: 0.6913883959263984
Energy: 0.7097170974932786
Energy: 0.694959706795366
Energy: 0.6941121589358054
Energy: 0.7035586245022859
Energy: 0.6947463239106008
Energy: 0.7123805682774969
Energy: 0.7121384859042967
Energy: 0.6948900470803046
Energy: 0.7076172924634229
Energy: 0.7046287322411597
Energy: 0.6939451391271924
Energy: 0.7056885371926734
Energy: 0.7127168697509909
Energy: 0.7004103822121582
Energy: 0.7005690788509101
Energy: 0.7058208924886634
Energy: 0.6954419806808193
Energy: 0.7039559267179443
Energy: 0.7041334815790956
Energy: 0.6955093897030888
Energy: 0.6959914036295209
Energy: 0.692494083896769
Energy: 0.7912723915303043
Energy: 0.7035362928910922
Energy: 0.7047310279112339
Energy: 0.6946439637043677
Energy: 0.7044506612397889
Energy: 0.6888229203342771
Energy: 0.6936349118119881
Energy: 0.7003569427595953
Energy: 0.7115265358110174
Energy: 0.7185852363575921
Energy: 0.701290900605618
Energy: 0.7057955570570342
Energy: 0.7848640476794635
Energy: 0.701231003156998
Energy: 0.7013257657112925
Energy: 0.7848256793190805
Energy: 0.6794603903828806
Energy: 0.7859931314734513
Energy: 0.7107984533085955
Energy: 0.7004053457307424
Energy: 0.7000536282172662
Energy: 0.7003021008961953
Energy: 0.720702635751354
Energy: 0.7115473902771534
Energy: 0.7517055335433367
Energy: 0.704422086170405
Energy: 0.7039423074285982
Energy: 0.7233831235252257
Energy: 0.6945785405452484
Energy: 0.7118150796068903
Energy: 0.7110906049418186
Energy: 0.6952232815621566
Energy: 0.7039567323936076
Energy: 0.7009347446515599
Energy: 0.6943748602718817
Energy: 0.7039981129470066
Energy: 0.7311087271880117
Energy: 0.703203907403148
Energy: 0.7082533519878276
Energy: 0.711519510431285
Energy: 0.6953793795908634
Energy: 0.7142302710793359
Energy: 0.7258012278825126
Energy: 0.7098219434027655
Energy: 0.7082537862682662
Energy: 0.7024086777510745
Energy: 0.703989149503189
Energy: 0.713988667149403
Energy: 0.7349618265960004
Energy: 0.7007383933366138
Energy: 0.699796764321767
Energy: 0.6882597107486034
Energy: 0.7001044554029454
Energy: 0.6928337243238426
Energy: 0.689419992718746
Energy: 0.6881445309032617
Energy: 0.6883159047987648
Energy: 0.6893922192790684
Energy: 0.6951674268690521
Energy: 0.6880288161879269
Energy: 0.688582451710679
Energy: 0.6981503349247792
Energy: 0.6973224878099317
Energy: 0.7304082043913599
Energy: 0.6973879052475018
Energy: 0.6904472648454726
Energy: 0.6811049582717248
Energy: 0.7215400094601737
Energy: 0.7109119932570297
Energy: 0.7007344825919555
Energy: 0.7283610305939991
Energy: 0.6770658222041384

minimum gb energy = 0.6751338496086962 eV
minimum distance =  2.36876309354127 Angstroms
sigma value = 57


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

Energy: 0.7339351963813783
Energy: 0.7658619635474535
Energy: 0.7398414292880632
Energy: 0.6939782578296306
Energy: 0.8193243213656862
Energy: 0.7401863764986927
Energy: 0.6912628174090978
Energy: 0.7376523946013321
Energy: 0.7141097463624525
Energy: 0.7421288453660854
Energy: 0.7432865060463824
Energy: 0.7145174969734978
Energy: 0.7363927365047431
Energy: 0.7150660788662005
Energy: 0.714817430669503
Energy: 0.7267963820319631
Energy: 0.6863985238238755
Energy: 0.6893558015497749
Energy: 0.7319612332425466
Energy: 0.6880982777917292
Energy: 0.6882031304822062
Energy: 0.7308922858099972
Energy: 0.6889159419746582
Energy: 0.7126537020910119
Energy: 0.7269664905002313
Energy: 0.715628120664432
Energy: 0.7180613913624284
Energy: 0.7272598125916883
Energy: 0.7129913280547315
Energy: 0.7076551155196837
Energy: 0.6929807974571034
Energy: 0.7126880297409806
Energy: 0.7100263113814611
Energy: 0.7084074110592579
Energy: 0.713688766412226
Energy: 0.711663513820296
Energy: 0.6742929045559162
Energy: 0.7206953143603612
Energy: 0.7098435535228172
Energy: 0.6651426231384702
Energy: 0.7199285293291572
Energy: 0.7314494546953545
Energy: 0.7125120182998592
Energy: 0.7463204275085509
Energy: 0.7532617826965894
Energy: 0.6880256624970429
Energy: 0.7582875406771947
Energy: 0.756373111838854
Energy: 0.6738217772065412
Energy: 0.7560180763743681
Energy: 0.7331599656169923
Energy: 0.6639367759205445
Energy: 0.7555769469278855
Energy: 0.6582437389009984
Energy: 0.8526874287098024
Energy: 0.700453294868512
Energy: 0.7127079946450513
Energy: 0.7570792373792059
Energy: 0.700918045538629
Energy: 0.7122129585170075
Energy: 0.667443105655367
Energy: 0.7036997651438852
Energy: 0.6787207675907433
Energy: 0.6650244902758674
Energy: 0.6977299566180178
Energy: 0.6780014945326597
Energy: 0.6701200765590426
Energy: 0.7233865464434319
Energy: 0.725904655724862
Energy: 0.6684474836311083
Energy: 0.7219889133688993
Energy: 0.6774708442597412
Energy: 0.6676886300822666
Energy: 0.7197273173538393
Energy: 0.7216187742790141
Energy: 0.6576985412495658
Energy: 0.7182261449567948
Energy: 0.7238230894327727
Energy: 0.6672325285570587
Energy: 0.6779047618980385
Energy: 0.6591082220122644
Energy: 0.6662829919383294
Energy: 0.7164314629793298
Energy: 0.6577195079460353
Energy: 0.6709063382311385
Energy: 0.6863065296405225
Energy: 0.6812749521456192
Energy: 0.7096058564666716
Energy: 0.6867937637871734
Energy: 0.7309136571985206
Energy: 0.6778468710607035
Energy: 0.6622184860102064
Energy: 0.6620618703603512
Energy: 0.6705440904722508
Energy: 0.6812709265874953
Energy: 0.6673510288068611
Energy: 0.6853217436787509
Energy: 0.730292827767988
Energy: 0.7302658592897998
Energy: 0.6720054760323729
Energy: 0.7300873563238096
Energy: 0.7299990395404696
Energy: 0.6852544042140314
Energy: 0.7168943946133279
Energy: 0.7317849135063231
Energy: 0.6634989003246171
Energy: 0.7193157762192184
Energy: 0.7319237905158189
Energy: 0.7468360713207992
Energy: 0.7343713824350907
Energy: 0.7342728792154676
Energy: 0.7141345461854972
Energy: 0.7329167618214459
Energy: 0.7072539877791526
Energy: 0.7472866935097606
Energy: 0.7270393096937063
Energy: 0.7271693444791434
Energy: 0.7143613953630124
Energy: 0.7338561383090962
Energy: 0.7280575812587122
Energy: 0.7410931813786985
Energy: 0.7389671039589649
Energy: 0.7139724192274717
Energy: 0.7415947318968683
Energy: 0.7379201448208477
Energy: 0.708010245805034
Energy: 0.846480522816983
Energy: 0.7099320657846454
Energy: 0.7098282295285973
Energy: 0.795899683143177
Energy: 0.7110505286110236
Energy: 0.7036141432828421
Energy: 0.7332931741145811
Energy: 0.7378001655932751
Energy: 0.71373951605186
Energy: 0.7413370780592663
Energy: 0.7440626245468247
Energy: 0.7074795269153106
Energy: 0.6924629230440388
Energy: 0.7272462120570133
Energy: 0.7159511786319779
Energy: 0.7027176178196435
Energy: 0.7339352301594322
Energy: 0.7184747671797457

minimum gb energy = 0.6576985412495658 eV
minimum distance =  2.33250288501372 Angstroms
sigma value = 17


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

Energy: 1.0940292482835694
Energy: 0.7596867134198563
Energy: 0.8236523766060588
Energy: 0.6676631468593512
Energy: 0.6997108464325424
Energy: 0.6714359798793029
Energy: 0.6670999158702199
Energy: 0.7385927341159623
Energy: 0.67268100687069
Energy: 0.739486637055042
Energy: 0.7303274110700976
Energy: 0.680450261774772
Energy: 0.894165165065516
Energy: 0.6444981952346803
Energy: 0.6446639257376562
Energy: 0.7229200127106927
Energy: 0.6443554847737206
Energy: 0.6509807545695131
Energy: 0.7203231901749914
Energy: 0.6496961607588144
Energy: 0.6573020619542593
Energy: 0.7205229099687176
Energy: 0.6527150855118584
Energy: 0.6820111462332811
Energy: 0.6577209818126991
Energy: 0.6442022310985438
Energy: 0.6388567018703901
Energy: 0.6585146485399993
Energy: 0.6401105242957797
Energy: 0.6388943013649065
Energy: 0.6604914326158408
Energy: 0.6408902786144778
Energy: 0.6435250479075999
Energy: 0.6240396102950905
Energy: 0.6527344077121372
Energy: 0.6239861878231049
Energy: 0.6547302847532862
Energy: 0.6495134337844842
Energy: 0.6501840378046485
Energy: 0.6485914919728639
Energy: 0.6528284639374468
Energy: 0.6343427901019265
Energy: 0.6365642366008227
Energy: 0.6212522793242584
Energy: 0.6216636979162227
Energy: 0.6214332524327807
Energy: 0.6205479644963077
Energy: 0.6347868717584111
Energy: 0.6512307491091658
Energy: 0.6181095788543801
Energy: 0.6176116843525015
Energy: 0.6525931970547054
Energy: 0.6211615214379553
Energy: 0.6180380092720745
Energy: 0.6539736571462907
Energy: 0.6331948956720906
Energy: 0.6430743795929811
Energy: 0.6535390987382362
Energy: 0.6329109019449128
Energy: 0.6429481030951617
Energy: 0.6518563542127052
Energy: 0.6383190593538423
Energy: 0.6388640558618301
Energy: 0.6472456141784646
Energy: 0.7363406828778684
Energy: 0.6390130230117929
Energy: 0.6589857131075252
Energy: 0.723218507486827
Energy: 0.721752988379489
Energy: 0.6348604732635487
Energy: 0.724205971062064
Energy: 0.6829438964044181
Energy: 0.7353663560534899
Energy: 0.719291139891941
Energy: 0.7193091913711334
Energy: 0.634721496324367
Energy: 0.7155958520257886
Energy: 0.719217166013451
Energy: 0.7381926630793642
Energy: 0.7307018680590236
Energy: 0.6663976103258403
Energy: 0.7498641221664293
Energy: 0.741478226073817
Energy: 0.665777755868086
Energy: 0.7007295447579333
Energy: 0.7342124491747837
Energy: 0.7319205817381187
Energy: 0.7251096546309299
Energy: 0.7322648133194695
Energy: 0.7090617860367538
Energy: 0.7105639305682734
Energy: 0.7448643970013571
Energy: 0.6718380461628405
Energy: 0.7300847217892081
Energy: 0.7446028806332035
Energy: 0.7346497907157908
Energy: 0.7284029104300579
Energy: 0.7198921915074227
Energy: 0.7612917834527615
Energy: 0.6449258919402314
Energy: 0.716448846471254
Energy: 0.7614106207327176

minimum gb energy = 0.6176116843525015 eV
minimum distance =  2.34398993231109 Angstroms
sigma value = 17


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

Energy: 1.1549002255096878
Energy: 0.7830703533780198
Energy: 0.6596098934146744
Energy: 0.6386717374467347
Energy: 0.7293787947220652
Energy: 0.6581972802633754
Energy: 0.6562157451619575
Energy: 0.7114469510944345
Energy: 0.6061709518362891
Energy: 0.7281336412659908
Energy: 0.7087737009588984
Energy: 0.6590841346178584
Energy: 0.8537815079213352
Energy: 0.5823207331100667
Energy: 0.6181968944307337
Energy: 0.7346145181507185
Energy: 0.5826645665435534
Energy: 0.6187915243413481
Energy: 0.7237037479980452
Energy: 0.645571382064571
Energy: 0.6450195560293872
Energy: 0.7244547348963337
Energy: 0.5862444876951403
Energy: 0.649345430291457
Energy: 0.6360516701177064
Energy: 0.6083472826167975
Energy: 0.6093715824120484
Energy: 0.6369471473951196
Energy: 0.6072706124694962
Energy: 0.6070354430246012
Energy: 0.6380152634980295
Energy: 0.6026121646838843
Energy: 0.5801732666474096
Energy: 0.5849178372297648
Energy: 0.6278018601476724
Energy: 0.5813776892974519
Energy: 0.5897584131515486
Energy: 0.6274528989393844
Energy: 0.6272727345568448
Energy: 0.5742838274975228
Energy: 0.6306093557813377
Energy: 0.5753303276640072
Energy: 0.5909579261819413
Energy: 0.5667801437850497
Energy: 0.5732041412073912
Energy: 0.5754006764229281
Energy: 0.5664276997865413
Energy: 0.575956987445282
Energy: 0.5909561437334513
Energy: 0.5762519865363939
Energy: 0.5759241696075019
Energy: 0.5918969820522316
Energy: 0.5819562775145967
Energy: 0.5900875942572511
Energy: 0.5897770178822298
Energy: 0.5690488864319628
Energy: 0.569067218536532
Energy: 0.5898328765859545
Energy: 0.5684411517685714
Energy: 0.5691553037243008
Energy: 0.5900922219462649
Energy: 0.5685126147091139
Energy: 0.5684316473899498
Energy: 0.567751925374318
Energy: 0.5898713424936137
Energy: 0.5685151790859289
Energy: 0.5927186266400993
Energy: 0.5903489283538167
Energy: 0.5903223393940721
Energy: 0.6002443909369705
Energy: 0.5943286883183344
Energy: 0.575471626144096
Energy: 0.602213300910515
Energy: 0.5766946801521778
Energy: 0.5726636628785626
Energy: 0.5734909574829643
Energy: 0.5761249219942192
Energy: 0.5732762847604526
Energy: 0.6283956600303616
Energy: 0.5760876343490187
Energy: 0.5757942964626903
Energy: 0.6287520133280341
Energy: 0.5736528644542563
Energy: 0.6274918273169646
Energy: 0.6275160476133167
Energy: 0.5765673760773908
Energy: 0.5752938578502874
Energy: 0.6280716177987375
Energy: 0.5810429385342246
Energy: 0.603476380734692
Energy: 0.7178098845765151
Energy: 0.6257211699513402
Energy: 0.6052031379856302
Energy: 0.6218621800977459
Energy: 0.6318489448458466
Energy: 0.6089223102827259
Energy: 0.591092924317227
Energy: 0.7203888479398072
Energy: 0.7203414393120081
Energy: 0.5857395269292386
Energy: 0.72676384122032
Energy: 0.6043002025688543
Energy: 0.6488393001917072
Energy: 0.7079087025872371
Energy: 0.7091561659133522
Energy: 0.6329247863578846
Energy: 0.7127609575288344
Energy: 0.6044802145914516
Energy: 0.7947416502121881
Energy: 0.7049275419312083
Energy: 0.6608168943995358
Energy: 0.7269280864103247
Energy: 0.6312144528408051
Energy: 0.6097282221608403
Energy: 0.8576857451650313
Energy: 0.6137907761051
Energy: 0.6127829812759829
Energy: 0.6915502114042723
Energy: 0.6093582969660911
Energy: 0.709352296875819
Energy: 0.7869287483050236
Energy: 0.7130039167812695
Energy: 0.6577277050921853
Energy: 0.7212321919261194
Energy: 0.7101931816592442
Energy: 0.7089652159387538
Energy: 0.5992018082801452
Energy: 0.7155578500279872
Energy: 0.78357547053017
Energy: 0.654152341575297
Energy: 0.7140361851573923
Energy: 0.623802805661486
Energy: 0.6017883282634361
Energy: 0.7123505061715998
Energy: 0.7093753371577527
Energy: 0.5968918863512461
Energy: 0.7117057984837225
Energy: 0.688542875436901
Energy: 0.8466586679031695
Energy: 0.633085038879494
Energy: 0.6080018333086802
Energy: 0.7213831220715032
Energy: 0.58335760349684
Energy: 0.7090740137801849
Energy: 0.7197920398887707
Energy: 0.5846520114959742
Energy: 0.6185284684124595
Energy: 0.7201303375359418
Energy: 0.5849560256300905
Energy: 0.6330308999031486
Energy: 0.638057914678257
Energy: 0.6071562889488685
Energy: 0.608390723987168
Energy: 0.6344036259926098
Energy: 0.6273290990550968
Energy: 0.6249347912266225
Energy: 0.6117884148434185
Energy: 0.6088795611677321
Energy: 0.6200353888405664
Energy: 0.5828192179729412
Energy: 0.6080629664159962
Energy: 0.5842929260697093
Energy: 0.5859889312159229
Energy: 0.627897233285111
Energy: 0.6278773647145965
Energy: 0.5852564343305289
Energy: 0.6299707049190006
Energy: 0.6276285521791609
Energy: 0.5900884728955326
Energy: 0.5757590769051625
Energy: 0.5757381775385407
Energy: 0.5739525094966487
Energy: 0.6279775240718224
Energy: 0.5753285053254148
Energy: 0.5896533763679161
Energy: 0.5654713044414743
Energy: 0.5729469364370269
Energy: 0.5898559042517029
Energy: 0.5656755034568319
Energy: 0.5722681011600672
Energy: 0.5942741332272039
Energy: 0.5690420571255136
Energy: 0.5693488383215586
Energy: 0.5952540109554753
Energy: 0.5685303940492887
Energy: 0.5691953532573354
Energy: 0.5907084414165432
Energy: 0.5693673917328058
Energy: 0.5695544220178106
Energy: 0.5677268463859725
Energy: 0.5681921856012699
Energy: 0.5695342684105492
Energy: 0.597956696711006
Energy: 0.5950895126402443
Energy: 0.5900532849161841
Energy: 0.5987308362493026
Energy: 0.5913007229510369
Energy: 0.5900186051956414
Energy: 0.5868819773723523
Energy: 0.5795069378607904
Energy: 0.5744446094643219
Energy: 0.5761752919740242
Energy: 0.5729402327925279
Energy: 0.5753919624606768
Energy: 0.6334901149563087
Energy: 0.5750922076172763
Energy: 0.5751136088624083
Energy: 0.6274253037944516
Energy: 0.5757028412252978
Energy: 0.5750081256143132
Energy: 0.6354140847072992
Energy: 0.5740132506094657
Energy: 0.6046162488982435
Energy: 0.6359443533874344
Energy: 0.5741997430215678
Energy: 0.624016407645764
Energy: 0.8015619131273826
Energy: 0.6039626646718721
Energy: 0.6042139631708452
Energy: 0.6248251995668093
Energy: 0.6320087352339404
Energy: 0.6054858557401983
Energy: 0.596030231930071
Energy: 0.7247781847621624
Energy: 0.62309384981127
Energy: 0.6137072083713067
Energy: 0.7220827319710035
Energy: 0.6248864831593018
Energy: 0.6199219468518024
Energy: 0.6878060158312537
Energy: 0.6170417637082583
Energy: 0.6080912186698497
Energy: 0.7007380313041122
Energy: 0.6179675257788717
Energy: 0.6278082978678066
Energy: 0.7056028702320861
Energy: 0.7071893652085582
Energy: 0.6332924929324864
Energy: 0.7226930297088249
Energy: 0.639486684407372
Energy: 0.8009069503381482
Energy: 0.6063864327795188
Energy: 0.6966442974299162
Energy: 0.7095222439211878
Energy: 0.6069742246224085
Energy: 0.6995512537429325
Energy: 0.8460664220126691
Energy: 0.6561816273274902
Energy: 0.6115395322231695
Energy: 0.7054123051293912
Energy: 0.6146444195523645
Energy: 0.709269084514958
Energy: 0.6023836428755339
Energy: 0.7126043422523621
Energy: 0.7092275084472697
Energy: 0.598262316219773
Energy: 0.7107529980508644
Energy: 0.687959931774923

minimum gb energy = 0.5654713044414743 eV
minimum distance =  2.35739323787497 Angstroms
sigma value = 57


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

Energy: 0.548847061467552
Energy: 0.7140102059894431
Energy: 0.627186591089681
Energy: 0.5615272447284412
Energy: 0.8863003231927004
Energy: 0.627909194545606
Energy: 0.6388436520789306
Energy: 0.5743912645121078
Energy: 0.5767449092276759
Energy: 0.7007059586975791
Energy: 0.5744760277725353
Energy: 0.5759940175906098
Energy: 0.8067454302833491
Energy: 0.5513738306114888
Energy: 0.5515753357829418
Energy: 0.6996330768503416
Energy: 0.5512493334565538
Energy: 0.5955806641782164
Energy: 0.6953253829442209
Energy: 0.5508878597782672
Energy: 0.6209801311556484
Energy: 0.5997349708189313
Energy: 0.5527216103234105
Energy: 0.6224633670388211
Energy: 0.6015512640676132
Energy: 0.5807692657359061
Energy: 0.5770753694283063
Energy: 0.6022968352876483
Energy: 0.5792641951455875
Energy: 0.5761296220242662
Energy: 0.5376229104204371
Energy: 0.5719230442930805
Energy: 0.5507526033146869
Energy: 0.5350282178589706
Energy: 0.6074954229884679
Energy: 0.5514453018108296
Energy: 0.5625843590239155
Energy: 0.6135219937821638
Energy: 0.6079054352231871
Energy: 0.5436778914575477
Energy: 0.6126339195462825
Energy: 0.5446400181533994
Energy: 0.7250678261283604
Energy: 0.5282343036008558
Energy: 0.5364416748983698
Energy: 0.5436471997072114
Energy: 0.5277275000641293
Energy: 0.5451783715167338
Energy: 0.5653515888229531
Energy: 0.5580084205741938
Energy: 0.541119717069555
Energy: 0.5665061708663034
Energy: 0.5684883089434675
Energy: 0.562727288526366
Energy: 0.5760495973953547
Energy: 0.5313325107580733
Energy: 0.5308495638058112
Energy: 0.5621656557910938
Energy: 0.5304573680680698
Energy: 0.5317813350766791
Energy: 0.5470755207667257
Energy: 0.5434506312805164
Energy: 0.5361938213874109
Energy: 0.5218477890865013
Energy: 0.5543175910517639
Energy: 0.5359823902791652
Energy: 0.566326177628898
Energy: 0.5488405828037932
Energy: 0.5419715000108148
Energy: 0.5488447013939024
Energy: 0.546186283611029
Energy: 0.5247049709254331
Energy: 0.5428875586682474
Energy: 0.5674788436474875
Energy: 0.5472869424839472
Energy: 0.5283545235650695
Energy: 0.5718238263773578
Energy: 0.527907016453198
Energy: 0.5427709002726254
Energy: 0.5252609074269141
Energy: 0.5383788206652205
Energy: 0.5441706672651775
Energy: 0.546249800794008
Energy: 0.5532387159120631
Energy: 0.5417363186855259
Energy: 0.5258541880320113
Energy: 0.5244113642175297
Energy: 0.541889176256606
Energy: 0.5742614236438415
Energy: 0.5243700573706437
Energy: 0.5757144674621221
Energy: 0.5744907368488018
Energy: 0.5296370588024709
Energy: 0.5302720478873628
Energy: 0.5709815803040522
Energy: 0.528481812849728
Energy: 0.544021096702111
Energy: 0.5722059943215904
Energy: 0.563961346934836
Energy: 0.5253465586171459
Energy: 0.5687753907316805
Energy: 0.5464389138667325
Energy: 0.5448302194671383
Energy: 0.546637269468124
Energy: 0.5470255642243644
Energy: 0.5459680459795773
Energy: 0.5474687686307449
Energy: 0.5489633383297119
Energy: 0.6080993240100276
Energy: 0.5454646914394501
Energy: 0.5761350156533029
Energy: 0.6094337086306741
Energy: 0.5476223429584696
Energy: 0.6076675686393966
Energy: 0.6858483613736441
Energy: 0.5497491608018817
Energy: 0.5506047973002886
Energy: 0.578126708008423
Energy: 0.5432607934294645
Energy: 0.5758690928181022
Energy: 0.7526021215071603
Energy: 0.6002832858849216
Energy: 0.5984801136840847
Energy: 0.5966590847757133
Energy: 0.5985960219679904
Energy: 0.5755084584411326
Energy: 0.5429535963903948
Energy: 0.7046794659389948
Energy: 0.586400720891879
Energy: 0.541098995718639
Energy: 0.7029717751747414
Energy: 0.5751693969870832
Energy: 0.5673594939427589
Energy: 0.6844820196411671
Energy: 0.6528101470278218
Energy: 0.5562112785757571
Energy: 0.681759688183824
Energy: 0.6387284327756856
Energy: 0.7497568563054569
Energy: 0.601169552105326
Energy: 0.5751674173795344
Energy: 0.5796977223478814
Energy: 0.6062265223286709
Energy: 0.5782331720433108
Energy: 0.810109177277013
Energy: 0.5750790612398063
Energy: 0.5729165542459096
Energy: 0.6580214781617927
Energy: 0.5765861601372222
Energy: 0.6526859372111398
Energy: 0.8041428740918
Energy: 0.6438757419283113
Energy: 0.6427075020960653
Energy: 0.6975999209698635
Energy: 0.6745372654410912
Energy: 0.5743580918922047
Energy: 0.5473983696669283
Energy: 0.6479329863964547
Energy: 0.5997055432500037
Energy: 0.5537175536034377
Energy: 0.6600498857128806
Energy: 0.5898860568393874

minimum gb energy = 0.5218477890865013 eV
minimum distance =  2.3949497001095 Angstroms
sigma value = 43


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

Energy: 0.47220166641825195
Energy: 0.6054349021836641
Energy: 0.556588648069534
Energy: 0.47491667387603903
Energy: 0.6558687116244656
Energy: 0.5238296875791839
Energy: 0.6593037920769917
Energy: 0.48784729796629184
Energy: 0.48795627421023324
Energy: 0.540367146774461
Energy: 0.48725511043605324
Energy: 0.485050886680185
Energy: 0.686368717444712
Energy: 0.4612494202723335
Energy: 0.47852592049376397
Energy: 0.5431115971618257
Energy: 0.4601016520285135
Energy: 0.4789499809669235
Energy: 0.6042180948304363
Energy: 0.4777638714044966
Energy: 0.47907527412466194
Energy: 0.5209687136808333
Energy: 0.48033791358438027
Energy: 0.5373976638331923
Energy: 0.5401884307652444
Energy: 0.4876809399766647
Energy: 0.4880878369446444
Energy: 0.5110841686377184
Energy: 0.4878685609128616
Energy: 0.48449025560774023
Energy: 0.45708818848897814
Energy: 0.48717595906766564
Energy: 0.4714654589360204
Energy: 0.47933495538791093
Energy: 0.5387912699281256
Energy: 0.474687552915457
Energy: 0.6336838499283827
Energy: 0.5389881630989126
Energy: 0.5389720655251298
Energy: 0.4608307495023554
Energy: 0.5421049639566603
Energy: 0.45969838763949983
Energy: 0.628531069768363
Energy: 0.44419412531200586
Energy: 0.45105767288494186
Energy: 0.45868901087924047
Energy: 0.4427496580769243
Energy: 0.4515716132738753
Energy: 0.5015562071862509
Energy: 0.4511729256254721
Energy: 0.4627946646813611
Energy: 0.5029157171525742
Energy: 0.4392253184516527
Energy: 0.4995483059488078
Energy: 0.4998642252936851
Energy: 0.4455868604033126
Energy: 0.4456406767456119
Energy: 0.4998504865712074
Energy: 0.44486797890120683
Energy: 0.4456089722899988
Energy: 0.4533801741580915
Energy: 0.47547997155942084
Energy: 0.44401317686986386
Energy: 0.4660395396487579
Energy: 0.4757465664014926
Energy: 0.44062749735972995
Energy: 0.5034061039934015
Energy: 0.4755301886705676
Energy: 0.47533952251404343
Energy: 0.4419582604446284
Energy: 0.48189157868854887
Energy: 0.446731711852428
Energy: 0.5033621693442417
Energy: 0.46659018763933496
Energy: 0.4720772464006471
Energy: 0.46940930651429097
Energy: 0.46435502137108386
Energy: 0.4721112029757092
Energy: 0.4612914174612238
Energy: 0.44052723654617165
Energy: 0.46514514169199433
Energy: 0.46269970108466696
Energy: 0.4549839474090272
Energy: 0.46134764013608764
Energy: 0.4612084509993894
Energy: 0.4357756764751527
Energy: 0.43514733148871637
Energy: 0.4612432896064388
Energy: 0.43622333311857636
Energy: 0.4347029444834019
Energy: 0.45720236709107864
Energy: 0.45489710182114174
Energy: 0.43496480885402233
Energy: 0.43406631821761127
Energy: 0.4548043737524715
Energy: 0.43392613877733954
Energy: 0.46413145240846637
Energy: 0.4547510087718732
Energy: 0.45557435759614145
Energy: 0.43691925683045646
Energy: 0.4548554261286028
Energy: 0.43798482708022
Energy: 0.4554038433716307
Energy: 0.46440683128313126
Energy: 0.4376171991894643
Energy: 0.45478237768157254
Energy: 0.46300860387026876
Energy: 0.437634760200302
Energy: 0.4551281418425862
Energy: 0.4568674944046665
Energy: 0.45493052069742584
Energy: 0.45639812440565003
Energy: 0.5324262255886149
Energy: 0.4548673924127009
Energy: 0.45507757615276934
Energy: 0.46295241862174497
Energy: 0.44168332844002905
Energy: 0.4552564776453674
Energy: 0.4618468876746378
Energy: 0.44222212702513897
Energy: 0.4780834349603978
Energy: 0.46132625792198556
Energy: 0.46172665627386666
Energy: 0.44258628027275626
Energy: 0.46138084041355343
Energy: 0.4423021827197362
Energy: 0.456210760132344
Energy: 0.4614712338362358
Energy: 0.4398058556230199
Energy: 0.43652241390807855
Energy: 0.4614678955163698
Energy: 0.43665529049148977
Energy: 0.47537892162412126
Energy: 0.43881382347528314
Energy: 0.4383804824393848
Energy: 0.4754007275923603
Energy: 0.4394895927098269
Energy: 0.43852472983601276
Energy: 0.4755513283621894
Energy: 0.44839348678727947
Energy: 0.4776777848986528
Energy: 0.47694989507670577
Energy: 0.4516533057463237
Energy: 0.4753021414202379
Energy: 0.6139112596417516
Energy: 0.45552674162990775
Energy: 0.4636267457656838
Energy: 0.48494098151403514
Energy: 0.455453774354098
Energy: 0.484854070825708
Energy: 0.5696168617251264
Energy: 0.4996981658040198
Energy: 0.49950034283688555
Energy: 0.4447812466285089
Energy: 0.4996878677650224
Energy: 0.4439015120240572
Energy: 0.4553576941910401
Energy: 0.49970623036958767
Energy: 0.4589495212803541
Energy: 0.45727708394488775
Energy: 0.49926462732647897
Energy: 0.4483001310193518
Energy: 0.4997866493583155
Energy: 0.46222865863740265
Energy: 0.46161069608808686
Energy: 0.5031962951333527
Energy: 0.46259982217503354
Energy: 0.4608034425296924
Energy: 0.5410972550918637
Energy: 0.46414914710842053
Energy: 0.5200943738088406
Energy: 0.5424798704449936
Energy: 0.4479701887817197
Energy: 0.5387864444051035
Energy: 0.6498708812297925
Energy: 0.4524477465028268
Energy: 0.4643374674222164
Energy: 0.488003426963341
Energy: 0.4515107147630395
Energy: 0.4645710292982239
Energy: 0.6484119535560832
Energy: 0.5185920790502432
Energy: 0.5187754287064449
Energy: 0.49140764351251764
Energy: 0.5184825572951152
Energy: 0.48729727882073537
Energy: 0.4632550133963321
Energy: 0.5451057877694333
Energy: 0.4916888850351408
Energy: 0.47461316698031114
Energy: 0.6050950602007142
Energy: 0.478360556856144
Energy: 0.6000554779381048
Energy: 0.5286829066326078
Energy: 0.5292196738518598
Energy: 0.5225083339789821
Energy: 0.5407956967387312
Energy: 0.48676227493332913
Energy: 0.6501642160433472
Energy: 0.49868466106359144
Energy: 0.5036705508213897
Energy: 0.49571254446128993
Energy: 0.4621009862582412
Energy: 0.5626075866337376
Energy: 0.6862146100095944
Energy: 0.47673923792539896
Energy: 0.4997386632824182
Energy: 0.5442588418039568
Energy: 0.4775921451940158
Energy: 0.5271674527652639
Energy: 0.646655462615105
Energy: 0.5278644909215439
Energy: 0.5286962135005331
Energy: 0.5370589761636303
Energy: 0.5402767539797867
Energy: 0.48537419769796053

minimum gb energy = 0.43392613877733954 eV
minimum distance =  2.41977473736048 Angstroms
sigma value = 81


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

Energy: 0.036884863776996575
Energy: 0.06678596546116829
Energy: 0.037221524079192464
Energy: 0.038749478470228305
Energy: 0.11290253017670235
Energy: 0.03736575040394779
Energy: 0.06721340799213531
Energy: 0.037528110376925695
Energy: 0.03769373030252254
Energy: 0.06626020405731757
Energy: 0.039714857554477435
Energy: 0.03788065391762822
Energy: 0.06599720207935036
Energy: 0.03767268665576951
Energy: 0.03771173967749995
Energy: 0.06598290759307611
Energy: 0.037244980485338273
Energy: 0.06636419875309287
Energy: 0.0389236385555009
Energy: 0.03758704630139619
Energy: 0.03738945782879916
Energy: 0.04030003739448557
Energy: 0.0375125871880201
Energy: 0.06683140932450417
Energy: 0.06642268134910503
Energy: 0.065961317793794
Energy: 0.06626783553482209
Energy: 0.06726860988794024
Energy: 0.06591100945057385
Energy: 0.06618827853383374
Energy: 0.037870803960964566
Energy: 0.03775888598509302
Energy: 0.037352665787463234
Energy: 0.03933235576912102
Energy: 0.038153134848913486
Energy: 0.03748039097209998
Energy: 0.06672191681810781
Energy: 0.03781310674358408
Energy: 0.03802882213021949
Energy: 0.06607483530142096
Energy: 0.037693455434985305
Energy: 0.03784098709977735
Energy: 0.06623440587816995
Energy: 0.03740092302063127
Energy: 0.037505376603154554
Energy: 0.06622692050716442
Energy: 0.03724368215001299
Energy: 0.06750479004730524
Energy: 0.03851553390199419
Energy: 0.0374444510629083
Energy: 0.06827857754379554
Energy: 0.039549852592969115
Energy: 0.03737477681185877
Energy: 0.06797918206012671
Energy: 0.037492179100731444
Energy: 0.0658486322998316
Energy: 0.06584771557572851
Energy: 0.03754529412120347
Energy: 0.06589477624824165
Energy: 0.06600996183901803

minimum gb energy = 0.036884863776996575 eV
minimum distance =  2.53370585862417 Angstroms
sigma value = 3


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

Energy: 0.5456780730374325
Energy: 0.5639902728187052
Energy: 0.534729894927353
Energy: 0.5069878011904472
Energy: 0.5346459134462879
Energy: 0.5090380498905819
Energy: 0.553465843472245
Energy: 0.5400396378689152
Energy: 0.5386911052370474
Energy: 0.542864422601312
Energy: 0.5467591287876845
Energy: 0.5384616162771475
Energy: 0.5553121729157767
Energy: 0.5107849084501236
Energy: 0.510941427358172
Energy: 0.5404719666750193
Energy: 0.51002819687666
Energy: 0.5269098035525329
Energy: 0.5307116019350432
Energy: 0.5108380932264321
Energy: 0.5108779253998409
Energy: 0.5264992346649425
Energy: 0.4801086038103317
Energy: 0.5323168747778575
Energy: 0.48193485388844054
Energy: 0.539728406440356
Energy: 0.5390266646409719
Energy: 0.5121383958909742
Energy: 0.5434621256470078
Energy: 0.5389456007401158
Energy: 0.5083599495777796
Energy: 0.5393412175883636
Energy: 0.5215403016225129
Energy: 0.44534805394818355
Energy: 0.5392667330206184
Energy: 0.4942936039830703
Energy: 0.5288159165196358
Energy: 0.4891962466585479
Energy: 0.5209170320558074
Energy: 0.5279184409951689
Energy: 0.4901701815858522
Energy: 0.5270154546428877
Energy: 0.5270338030200581
Energy: 0.5021899767813863
Energy: 0.5025962726281453
Energy: 0.5269868960466167
Energy: 0.47868135479200374
Energy: 0.5036212580807031
Energy: 0.5322600586554844
Energy: 0.5027203392522475
Energy: 0.5293204328595478
Energy: 0.5333194252606122
Energy: 0.48854270544460526
Energy: 0.5290156862330898
Energy: 0.5315508129557804
Energy: 0.48866819860799954
Energy: 0.48934617934184055
Energy: 0.5315346821208892
Energy: 0.49278826536260445
Energy: 0.498032842787797
Energy: 0.5043062236594217
Energy: 0.5091507706126872
Energy: 0.5099543601902466
Energy: 0.43721172153864785
Energy: 0.5105664448996406
Energy: 0.48570738776153427
Energy: 0.45775016243427197
Energy: 0.5133910147085474
Energy: 0.5152713258885402
Energy: 0.4576475978135987
Energy: 0.5125503325716915
Energy: 0.457393747536404
Energy: 0.4589999301835778
Energy: 0.4750909426122019
Energy: 0.4912772814491923
Energy: 0.45899448258102427
Energy: 0.4232005639342809
Energy: 0.47441929716521375
Energy: 0.500398525218273
Energy: 0.476318274950581
Energy: 0.49309704355355666
Energy: 0.45896020803020365
Energy: 0.47048543287940164
Energy: 0.4934112083464187
Energy: 0.4981172663715266
Energy: 0.4359331445145973
Energy: 0.4356375406044044
Energy: 0.49663624651988286
Energy: 0.4409620632767567
Energy: 0.4364062394572386
Energy: 0.4963090224001454
Energy: 0.48304757116188685
Energy: 0.4822013881840939
Energy: 0.4796763288804315
Energy: 0.49316091366557024
Energy: 0.4827748075522677
Energy: 0.4253439878839217
Energy: 0.4825255694172326
Energy: 0.48122719015798665
Energy: 0.42502489091275925
Energy: 0.4837051823186893
Energy: 0.42513063694232817
Energy: 0.42677549661430453
Energy: 0.47611191889213256
Energy: 0.4766795674406251
Energy: 0.426766962979051
Energy: 0.42707904889706944
Energy: 0.47698394306437614
Energy: 0.48948434321196654
Energy: 0.4562437209384723
Energy: 0.4755006700863751
Energy: 0.4549482138454179
Energy: 0.4560669096112886
Energy: 0.47611986758192915
Energy: 0.4925704356284834
Energy: 0.4251839501185017
Energy: 0.42490981794974964
Energy: 0.4935420241312204
Energy: 0.4301428716418973
Energy: 0.4255729413128112
Energy: 0.49223633796806876
Energy: 0.47879559290650425
Energy: 0.48218234118380127
Energy: 0.4923165348491084
Energy: 0.48053726302654853
Energy: 0.4809183430501058
Energy: 0.43914286678268505
Energy: 0.4788716190038607
Energy: 0.4813811463845897
Energy: 0.43657500207526756
Energy: 0.48081690968288904
Energy: 0.43593432727370685
Energy: 0.4365953411646994
Energy: 0.4940357739195157
Energy: 0.49380536494820215
Energy: 0.43659271091293417
Energy: 0.4943230941486078
Energy: 0.4914782698876208
Energy: 0.4992834643285623
Energy: 0.4589925922556278
Energy: 0.49170119133778445
Energy: 0.4639994805142072
Energy: 0.4586105659837819
Energy: 0.4812673395994731
Energy: 0.5125333005844612
Energy: 0.45717992719689265
Energy: 0.4569718222362887
Energy: 0.5131981090599006
Energy: 0.46238982197262407
Energy: 0.4579751328287961
Energy: 0.5132271076102676
Energy: 0.4953583498882843
Energy: 0.4955348137319276
Energy: 0.5142530737316983
Energy: 0.47539368151858297
Energy: 0.5097585184134964
Energy: 0.4921235758535193
Energy: 0.4952181728389201
Energy: 0.49540758552181524
Energy: 0.49170763437273446
Energy: 0.5164391949347651
Energy: 0.4975299507375567
Energy: 0.46791729943283106
Energy: 0.5325437910366596
Energy: 0.5324752218452627
Energy: 0.4679134701502857
Energy: 0.4928234873770548
Energy: 0.5333266886366054
Energy: 0.5075588741633127
Energy: 0.5256704481248695
Energy: 0.5191734841803859
Energy: 0.4368239452098317
Energy: 0.5282696770438685
Energy: 0.48961892899109966
Energy: 0.4883690489745052
Energy: 0.5250478774173563
Energy: 0.5259063109750529
Energy: 0.5339022551002373
Energy: 0.5278699547930394
Energy: 0.5286665506058431
Energy: 0.5242368858308043
Energy: 0.5077090850658186
Energy: 0.5080756311910352
Energy: 0.5243040839042489
Energy: 0.4808316956479973
Energy: 0.5082376218954929
Energy: 0.5576213508357136
Energy: 0.5086690563667562
Energy: 0.5383879995663855
Energy: 0.5413614664668575
Energy: 0.4866006834658855
Energy: 0.5402939584098512
Energy: 0.4924538876484299
Energy: 0.5260212367384356
Energy: 0.524673671895614
Energy: 0.4926146029071398
Energy: 0.5313415277895642
Energy: 0.515684671179066

minimum gb energy = 0.4232005639342809 eV
minimum distance =  2.3486016150839 Angstroms
sigma value = 67


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

Energy: 0.6483391711674066
Energy: 0.6505946260146661
Energy: 0.6394411703477517
Energy: 0.5576610272694008
Energy: 0.6479814235587652
Energy: 0.6414445152565802
Energy: 0.6395485002997183
Energy: 0.6501326013225806
Energy: 0.635264867465434
Energy: 0.646345428799937
Energy: 0.6481571003828123
Energy: 0.6340908926058092
Energy: 0.6734937782558971
Energy: 0.6158853897259287
Energy: 0.6268174172843286
Energy: 0.6430449776928263
Energy: 0.61616744273125
Energy: 0.6271638509995163
Energy: 0.6211035741078487
Energy: 0.625231491163819
Energy: 0.6250642492210776
Energy: 0.621953688360328
Energy: 0.6253654545743066
Energy: 0.6264857897098275
Energy: 0.61805084778038
Energy: 0.6417870023827877
Energy: 0.6346152960747029
Energy: 0.6187740417878499
Energy: 0.6482012663766638
Energy: 0.6341567806536406
Energy: 0.6099047396783509
Energy: 0.6315320708246489
Energy: 0.6196595856353356
Energy: 0.5737048521036746
Energy: 0.631263259959979
Energy: 0.6184579931927447
Energy: 0.6258867066356929
Energy: 0.6173941781375274
Energy: 0.6189495643056636
Energy: 0.6254438138310077
Energy: 0.6136961586803771
Energy: 0.6117618927305913
Energy: 0.6204982520805237
Energy: 0.6015227792537657
Energy: 0.6070961352635872
Energy: 0.6205522645199355
Energy: 0.5489300682726088
Energy: 0.6236886600651648
Energy: 0.6192946854205179
Energy: 0.6243447004628943
Energy: 0.6319057042458022
Energy: 0.6241982490065144
Energy: 0.5758236800464778
Energy: 0.6284445577420213
Energy: 0.6216156942530005
Energy: 0.5783842672801436
Energy: 0.5753172942537668
Energy: 0.622246992977646
Energy: 0.5768164603441378
Energy: 0.5870429192947869
Energy: 0.6182516427186946
Energy: 0.607784743962535
Energy: 0.607201299563094
Energy: 0.5506310932638039
Energy: 0.6055985969168668
Energy: 0.6083587853087195
Energy: 0.5538996611348755
Energy: 0.6049368298042885
Energy: 0.6046621624582437
Energy: 0.5493347520992584
Energy: 0.5857373127738986
Energy: 0.5493377227890693
Energy: 0.5499007059774682
Energy: 0.6002087982631599
Energy: 0.5976243014725838
Energy: 0.5496554044086424
Energy: 0.551895707758452
Energy: 0.5497959716295386
Energy: 0.6034202389840851
Energy: 0.5994705980976526
Energy: 0.5971842439682279
Energy: 0.5508744425320815
Energy: 0.6037477624230303
Energy: 0.5965843971089488
Energy: 0.6049392639018919
Energy: 0.5525185310933602
Energy: 0.5499495825175599
Energy: 0.6057751529784818
Energy: 0.5509944252615501
Energy: 0.5503773465252404
Energy: 0.6058013017134005
Energy: 0.6082936565389118
Energy: 0.606032020969714
Energy: 0.5853506295563384
Energy: 0.6221275377645853
Energy: 0.6043367987718604
Energy: 0.5795919246898116
Energy: 0.6007284081632693
Energy: 0.5961067997210565
Energy: 0.5801161497813133
Energy: 0.5444195768829428
Energy: 0.5880537026234722
Energy: 0.5749647754195054
Energy: 0.6249923919837914
Energy: 0.6266017481308582
Energy: 0.5748600225260252
Energy: 0.6240484241325773
Energy: 0.6103077225423904
Energy: 0.6025100243197977
Energy: 0.6189293204690473
Energy: 0.6116226256076337
Energy: 0.5571826893698074
Energy: 0.6189395467724694
Energy: 0.6116266136069705
Energy: 0.6147323382909419
Energy: 0.6154053105566439
Energy: 0.6136673139892531
Energy: 0.6134850226402627
Energy: 0.6239102121731002
Energy: 0.6238393478374988
Energy: 0.6137952113635983
Energy: 0.6275680683948134
Energy: 0.6282735530926093
Energy: 0.6137725913688303
Energy: 0.6079027782952798
Energy: 0.6299223893085232
Energy: 0.6726413969965319
Energy: 0.606641945112352
Energy: 0.6286160682450986
Energy: 0.6443128300977872
Energy: 0.6063757345938862
Energy: 0.629953708865228
Energy: 0.6395527016260553
Energy: 0.6247962485988808
Energy: 0.6183817658738998
Energy: 0.6415728006419025
Energy: 0.6199790239766004
Energy: 0.6125620264484101

minimum gb energy = 0.5444195768829428 eV
minimum distance =  2.34637848032534 Angstroms
sigma value = 33


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

Energy: 0.7475514229158599
Energy: 0.744136209488989
Energy: 0.7453818978074938
Energy: 0.7021675095703227
Energy: 0.7556894410908103
Energy: 0.7090820476078347
Energy: 0.712211342429135
Energy: 0.732338065825969
Energy: 0.7187718908158542
Energy: 0.7261515811759612
Energy: 0.7299095990998474
Energy: 0.7145987825862544
Energy: 0.7599008141751619
Energy: 0.6660327163512614
Energy: 0.698677022918181
Energy: 0.7221018469159369
Energy: 0.6673984489702549
Energy: 0.6984342976170351
Energy: 0.7369448939147625
Energy: 0.703230828953282
Energy: 0.6982921129602832
Energy: 0.7375409586662208
Energy: 0.7181937780506072
Energy: 0.6984732622461157
Energy: 0.683910540086781
Energy: 0.7119191818217135
Energy: 0.7097756656276019
Energy: 0.6834044056636797
Energy: 0.7275993235248112
Energy: 0.7095777165054594
Energy: 0.6964419185986666
Energy: 0.7096604990183824
Energy: 0.7102079783383368
Energy: 0.6389177648551242
Energy: 0.7089635960817879
Energy: 0.6851834693144562
Energy: 0.6840284706222843
Energy: 0.7119459001203884
Energy: 0.7117911419208052
Energy: 0.684199684026193
Energy: 0.6749886945848488
Energy: 0.6719980595594578
Energy: 0.6857839526718916
Energy: 0.6374327120739051
Energy: 0.6887051641290808
Energy: 0.6857492494137637
Energy: 0.6417263366391087
Energy: 0.6701016470087967
Energy: 0.6848275072941737
Energy: 0.6780611586717066
Energy: 0.6962918811462755
Energy: 0.6716981958613208
Energy: 0.675268759106714
Energy: 0.6929850194268812
Energy: 0.6849865668155368
Energy: 0.6389871446102994
Energy: 0.6381643725869205
Energy: 0.6858799253628975
Energy: 0.6384637466585492
Energy: 0.6359781207086667
Energy: 0.6857919235151649
Energy: 0.6786836026013936
Energy: 0.6799806361548835
Energy: 0.6408843043629734
Energy: 0.6975631691063392
Energy: 0.6792454292728392
Energy: 0.6367543370988421
Energy: 0.639620842275125
Energy: 0.6391214312238067
Energy: 0.6368696156040129
Energy: 0.6541557189223953
Energy: 0.637412347193011
Energy: 0.637316135047284
Energy: 0.6719500282796302
Energy: 0.6893325679799646
Energy: 0.6375568638415642
Energy: 0.6707441373303148
Energy: 0.6372790283036058
Energy: 0.6883978148322534
Energy: 0.6878798405329162
Energy: 0.688459433422142
Energy: 0.6268547363449869
Energy: 0.683973289055997
Energy: 0.6757285914879744
Energy: 0.6909168231579432
Energy: 0.6716051655798159
Energy: 0.6698282026512541
Energy: 0.6917687796310137
Energy: 0.6851315015480892
Energy: 0.6702356556389268
Energy: 0.6706449806353653
Energy: 0.6887662216243107
Energy: 0.6887920517434603
Energy: 0.6719448582504043
Energy: 0.6473693602788775
Energy: 0.6719361880196575
Energy: 0.7611327183648009
Energy: 0.6475212169756935
Energy: 0.6885204894200588
Energy: 0.7217272122414303
Energy: 0.6515288987243322
Energy: 0.6896551371491255
Energy: 0.7586323207503828
Energy: 0.7395149415952282
Energy: 0.7149661141046151
Energy: 0.7307196733043687
Energy: 0.6811083802917569
Energy: 0.7167033303486858
Energy: 0.6993913686687812
Energy: 0.7223098048626977
Energy: 0.7158567369569632
Energy: 0.643780258970216
Energy: 0.722062287423746
Energy: 0.6863541725611108
Energy: 0.7120001825271305
Energy: 0.7315089576434614
Energy: 0.7104986254488032
Energy: 0.712472317561895
Energy: 0.7278173007294056
Energy: 0.7118436875632476
Energy: 0.7632358274660216
Energy: 0.7100415038862097
Energy: 0.7032538714593193
Energy: 0.7229152446376444
Energy: 0.6800519469377218
Energy: 0.7018091221367097
Energy: 0.72267440480998
Energy: 0.6657770498035831
Energy: 0.6991700042749958
Energy: 0.7227119284830554
Energy: 0.6955709193935984
Energy: 0.6996309174214647
Energy: 0.6843625283363821
Energy: 0.7118060976944639
Energy: 0.7137857104073462
Energy: 0.684064059718299
Energy: 0.728832636200839
Energy: 0.712747484913838
Energy: 0.6971168759649605
Energy: 0.709535346134054
Energy: 0.7092606710395507
Energy: 0.6349040505241952
Energy: 0.7092486311012098
Energy: 0.6817828329366868
Energy: 0.6835938113646444
Energy: 0.7120913521862493
Energy: 0.7116581753222192
Energy: 0.6839020693177424
Energy: 0.7162718054112137
Energy: 0.7041722427236785
Energy: 0.6848013139478945
Energy: 0.6378520245148133
Energy: 0.6881010141200055
Energy: 0.6848572948881492
Energy: 0.6415456344536642
Energy: 0.6699052386012893
Energy: 0.684360559951296
Energy: 0.6541404832775339
Energy: 0.6881500726240294
Energy: 0.6855135688388334
Energy: 0.6536627542016329
Energy: 0.6932949076416236
Energy: 0.6846894117933411
Energy: 0.6386637850570139
Energy: 0.6380969196033004
Energy: 0.6855280819594629
Energy: 0.6388124156167602
Energy: 0.6367830002608611
Energy: 0.6859413684486964
Energy: 0.6630992983784016
Energy: 0.6786286711959226
Energy: 0.6411228989087745
Energy: 0.6637696094582773
Energy: 0.6794984053539108
Energy: 0.6368192348224021
Energy: 0.6385803060339593
Energy: 0.6385717090675465
Energy: 0.6369299843342332
Energy: 0.6485869604458516
Energy: 0.6373168118943469
Energy: 0.6385915521997716
Energy: 0.6706766354647106
Energy: 0.6714648886004275
Energy: 0.6377170306505552
Energy: 0.6711537085997276
Energy: 0.637193996286408
Energy: 0.687877280886621
Energy: 0.6880758313777171
Energy: 0.6883722769415692
Energy: 0.6276876248646082
Energy: 0.6881590547562797
Energy: 0.6780714161496408
Energy: 0.6939154631706393
Energy: 0.6717334428618106
Energy: 0.6695858018905918
Energy: 0.6887122280659017
Energy: 0.686374278831446
Energy: 0.6859619458888805
Energy: 0.6700231593737177
Energy: 0.6932741203432164
Energy: 0.6701186189064602
Energy: 0.6710585135852543
Energy: 0.6467322995739918
Energy: 0.6704183271835188
Energy: 0.8076535380797143
Energy: 0.6475224058585899
Energy: 0.6881010184705851
Energy: 0.7221723877689319
Energy: 0.6260848652904627
Energy: 0.6899181846245475
Energy: 0.758698991924132
Energy: 0.7388164216975334
Energy: 0.6695531427451171
Energy: 0.7291415907172254
Energy: 0.6826522769512073
Energy: 0.7138530513667163
Energy: 0.6996759275785662
Energy: 0.7227676003206103
Energy: 0.7163158933012238
Energy: 0.6484697501272474
Energy: 0.7224706422763411
Energy: 0.6870499173879814

minimum gb energy = 0.6260848652904627 eV
minimum distance =  2.37053258685967 Angstroms
sigma value = 41


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

Energy: 0.8508078525545357
Energy: 0.8635893346691177
Energy: 0.8665790547960778
Energy: 0.7640650923514083
Energy: 0.8094275947970662
Energy: 0.8709084044031471
Energy: 0.7986780812038914
Energy: 0.787657395766104
Energy: 0.7845030136482902
Energy: 0.7858893102821138
Energy: 0.7875353444187889
Energy: 0.7703120518021206
Energy: 0.8787953419212907
Energy: 0.7570060022373568
Energy: 0.7527321331708832
Energy: 0.7847468605175071
Energy: 0.7668714486356769
Energy: 0.7981889276641267
Energy: 0.785138989521531
Energy: 0.76661677678786
Energy: 0.7527864031147937
Energy: 0.7851765373983894
Energy: 0.7655978367366965
Energy: 0.7594535533083224
Energy: 0.7729184909521616
Energy: 0.7868269765412201
Energy: 0.768973678599852
Energy: 0.7728557084705568
Energy: 0.7870066299808607
Energy: 0.754850334952644
Energy: 0.8029197053062085
Energy: 0.7857495435850932
Energy: 0.7550086696038802
Energy: 0.7675757232090172
Energy: 0.7794753283664495
Energy: 0.7542843662178996
Energy: 0.773124399937755
Energy: 0.7595977373633305
Energy: 0.7703622778673765
Energy: 0.7732508249810872
Energy: 0.7589587998869495
Energy: 0.7596427888394918
Energy: 0.7773118949717988
Energy: 0.7601205149493332
Energy: 0.7546920578260405
Energy: 0.7782010126715715
Energy: 0.7698955009887132
Energy: 0.7577995941939583
Energy: 0.7839221151805635
Energy: 0.7567687831090028
Energy: 0.7548228479461494
Energy: 0.7857730518842253
Energy: 0.7811925275153345
Energy: 0.7556831613265504
Energy: 0.7788522497011688
Energy: 0.7768991989305444
Energy: 0.7601455205247367
Energy: 0.765991580673645
Energy: 0.7732626931147868
Energy: 0.7543900090872754
Energy: 0.780681699117628
Energy: 0.7812367999816299
Energy: 0.7573924053716796
Energy: 0.779994763973327
Energy: 0.7406561518132114
Energy: 0.7702009638139228
Energy: 0.8979659612800976
Energy: 0.7408830870161505
Energy: 0.7415052392104633
Energy: 0.8921193582551834
Energy: 0.7467021776683241
Energy: 0.74214791177148
Energy: 0.8795384844145413
Energy: 0.7742829974343023
Energy: 0.7717888222275835
Energy: 0.7861663352007149
Energy: 0.7745331280321894
Energy: 0.7721628433043592
Energy: 0.8173125738365773
Energy: 0.7844644663004708
Energy: 0.7468354891920805
Energy: 0.7435311175254093
Energy: 0.784539372354313
Energy: 0.7420434503214715

minimum gb energy = 0.7406561518132114 eV
minimum distance =  2.35451239951267 Angstroms
sigma value = 11


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

Energy: 0.891481492129845
Energy: 0.9655958751035324
Energy: 0.8567315550192635
Energy: 0.8704842171125501
Energy: 0.8724463925464635
Energy: 0.8599167362171803
Energy: 0.9662853600778285
Energy: 0.861303145525586
Energy: 0.8684609968701665
Energy: 0.8795235037220099
Energy: 0.8607961302576077
Energy: 0.8949300607396374
Energy: 1.009876133829948
Energy: 0.8593124658209912
Energy: 0.8580414280138013
Energy: 0.8554216344639269
Energy: 0.8596200260000626
Energy: 0.8637962793951853
Energy: 0.8833301938551807
Energy: 0.8717972934741719
Energy: 0.8730391689225493
Energy: 0.85833715978719
Energy: 0.8576500777378697
Energy: 0.873430500435288
Energy: 0.8769201258903405
Energy: 0.8611455461527332
Energy: 0.8680051149340666
Energy: 0.8573097595158848
Energy: 0.8637356151776963
Energy: 0.8792820109607469
Energy: 0.8833215854104969
Energy: 0.859272262734729
Energy: 0.8658177941266383
Energy: 0.8730224700789828
Energy: 0.8836216324989102
Energy: 0.8666729921359511
Energy: 0.8810062275968024
Energy: 0.8666497057447095
Energy: 0.8662135970558664
Energy: 0.8811820344327645
Energy: 0.8696005880436587
Energy: 0.8657345855211339
Energy: 0.882723594015707
Energy: 0.8647284653833109
Energy: 0.8786798466958455
Energy: 0.8612434373082215
Energy: 0.8606492116433943
Energy: 0.879382921865367
Energy: 0.8551125083449184
Energy: 0.8650387146940717
Energy: 0.873578167279189
Energy: 0.8651359290451008
Energy: 0.8560335278984016
Energy: 0.8560369843662978
Energy: 0.8551582873610032
Energy: 0.8658135869217243
Energy: 0.8689188969761371
Energy: 0.8658189248579011
Energy: 0.8552361316770815
Energy: 0.8742731326004513
Energy: 0.8836887555126558
Energy: 0.8734634644177011
Energy: 0.8828234348166493
Energy: 0.8620855196942323
Energy: 0.8591757491466835
Energy: 0.8681564966766231
Energy: 0.8628643909039799
Energy: 0.8683757917249596
Energy: 0.8647550277494498
Energy: 0.8627098986815966
Energy: 0.8572010035099094
Energy: 0.8638188678504461
Energy: 0.8612149064837253
Energy: 0.8605804458314333
Energy: 0.8546710566853424
Energy: 0.8613009048289846
Energy: 0.8558015774594248
Energy: 0.8823539449768103
Energy: 0.8631258206462645
Energy: 0.8670361462685662
Energy: 0.8585312865501484
Energy: 0.8557204139332557
Energy: 0.8555280873802065
Energy: 0.8606661616146745
Energy: 0.8611109147382576
Energy: 0.8543483090794085
Energy: 0.8723641473668916
Energy: 0.8615516265374631
Energy: 0.859168196939971
Energy: 0.8732170541037413
Energy: 0.8584904293463372
Energy: 0.871695839469922
Energy: 0.8732202971197018
Energy: 0.8596210136447433
Energy: 0.8602100074853936
Energy: 0.8739906882756778
Energy: 0.8594227586165976
Energy: 0.8672391236606353
Energy: 0.8754912279526437
Energy: 0.8594764346231053
Energy: 0.8559018350062532
Energy: 0.866262366939956
Energy: 0.8685382803575804
Energy: 0.9002853652660374
Energy: 0.8678052221509032
Energy: 0.8611272921538713
Energy: 0.8847059957735098
Energy: 0.850229315460564
Energy: 0.8651593711239872
Energy: 0.8547922981346823
Energy: 0.8541198630587699
Energy: 0.8656475725161202
Energy: 0.8547765545993649
Energy: 0.8740850145537995
Energy: 0.8638645319691748
Energy: 0.8551951002744845
Energy: 0.8551154701905748
Energy: 0.8551693051297012
Energy: 0.8554583985759592
Energy: 0.8489997659363261
Energy: 0.9352360301863956
Energy: 0.8756888863539138
Energy: 0.8673583028157077
Energy: 0.8544936461799598
Energy: 0.8606632162366722
Energy: 0.8545958396901049
Energy: 0.8918663669444071
Energy: 0.854296036428161
Energy: 0.8538583788857547
Energy: 0.8683030358978444
Energy: 0.8549831075200538
Energy: 0.8696497824170525
Energy: 0.8665872592949772
Energy: 0.8545924823231084
Energy: 0.8619055314633394
Energy: 0.8577622572290982
Energy: 0.8542844638786515
Energy: 0.8671840760792403
Energy: 0.9347733158605037
Energy: 0.8652228336507483
Energy: 0.8659301029320804
Energy: 0.8541624013026071
Energy: 0.8654769015392497
Energy: 0.8629268141309514
Energy: 0.9118492305012807
Energy: 0.858907124292263
Energy: 0.8553791035242057
Energy: 0.8934142337855694
Energy: 0.876429153655869
Energy: 0.8543398906013002
Energy: 0.8981884667212795
Energy: 0.8661462285030378
Energy: 0.866306550878539
Energy: 0.8565768059492885
Energy: 0.8620252642163773
Energy: 0.8746211947522784
Energy: 0.8961481485413536
Energy: 0.8580148343664845
Energy: 0.8725641695330643
Energy: 0.8556477982586747
Energy: 0.8599961424306589
Energy: 0.8734162750707632
Energy: 0.8957835426340491
Energy: 0.8760321854101425
Energy: 0.874963279885068
Energy: 0.8610420337169171
Energy: 0.8653321517070054
Energy: 0.8729257708787389
Energy: 0.8988587132811592
Energy: 0.8605205586236928
Energy: 0.8602785678044933
Energy: 0.935551408840426
Energy: 0.8741405427305597
Energy: 0.8661134550806205
Energy: 1.0095580794737138
Energy: 0.8679743898861134
Energy: 0.8813285140017889
Energy: 0.8550025786934125
Energy: 0.8615090644545215
Energy: 0.873450057656128
Energy: 0.8757017575919717
Energy: 0.8622206569924075
Energy: 0.8465703260185727
Energy: 0.8555658747185081
Energy: 0.861530188313257
Energy: 0.8686023198818484

minimum gb energy = 0.8465703260185727 eV
minimum distance =  2.33867804565483 Angstroms
sigma value = 57


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

Energy: 1.2065418676174384
Energy: 0.8653989572182855
Energy: 0.8673251267672185
Energy: 0.8687396745855909
Energy: 0.8644936019609569
Energy: 0.8668945602015085
Energy: 0.8504333637326178
Energy: 0.8696522131051603
Energy: 0.8708214973209514
Energy: 0.8656969550473722
Energy: 0.8673771046267867
Energy: 0.8750772828836599
Energy: 0.8689072907247283
Energy: 0.8698430894822751
Energy: 0.8697841156548675
Energy: 0.8652055819907873
Energy: 0.8701885330007514
Energy: 0.869397887232197
Energy: 0.8630770743752424
Energy: 0.8674452180337807
Energy: 0.8716443277271181
Energy: 0.86377877939951
Energy: 0.8608173026724575
Energy: 0.8703947230896609
Energy: 0.8630620728916425
Energy: 0.866579058318282
Energy: 0.8689545850572085
Energy: 0.8687683597130119
Energy: 0.8650383422995659
Energy: 0.8745445335029235
Energy: 0.8638507885498559
Energy: 0.8708319160404969
Energy: 0.8706849204471546
Energy: 0.8662789942239838
Energy: 0.8700453368225842
Energy: 0.8712374335134642
Energy: 0.8634695400671285
Energy: 0.871084025368408
Energy: 0.8732864874058167
Energy: 0.8646898244394522
Energy: 0.8692811142486927
Energy: 0.8675603089025945
Energy: 0.9547253681879211
Energy: 0.8672260015253546
Energy: 0.8696196513931128
Energy: 0.8656849773488187
Energy: 0.8691061349108522
Energy: 0.8751656870321339
Energy: 0.8509979297336906
Energy: 0.8669574767215782
Energy: 0.8707660589682202
Energy: 0.8549036037948924
Energy: 0.8648391151066372
Energy: 0.8722579292910094
Energy: 0.8500635055666649
Energy: 0.8663821686937411
Energy: 0.8705480652696865
Energy: 0.8540970129215413
Energy: 0.864474979455461
Energy: 0.8719213072145531
Energy: 0.9551468307866153
Energy: 0.8683013984329973
Energy: 0.8700477762735161
Energy: 0.8658836576694217
Energy: 0.8667797764629723
Energy: 0.8753624136636344
Energy: 0.8646601744305414
Energy: 0.871666424696684
Energy: 0.8721175709746278
Energy: 0.8653727171758439
Energy: 0.8734241229304717
Energy: 0.8700538863589057
Energy: 0.8644184653255117
Energy: 0.8690370207388403
Energy: 0.8681542333467538
Energy: 0.8654476785775744
Energy: 0.8659598325051208
Energy: 0.8747516609685158
Energy: 0.8637014864828142
Energy: 0.8666078182923882
Energy: 0.8689643489163794
Energy: 0.8664859823657087
Energy: 0.8697638782913351
Energy: 0.8706472669610278
Energy: 0.8814386082737398
Energy: 0.8658377304347425
Energy: 0.8704343838037534
Energy: 0.8826652332685051
Energy: 0.8635540819941717
Energy: 0.8744051342531602
Energy: 0.9462446640209512
Energy: 0.8667422863762058
Energy: 0.8686308766402225
Energy: 0.8645883270809452
Energy: 0.8644258215872779
Energy: 0.8706029247369038
Energy: 0.850035106349324
Energy: 0.869708496054418
Energy: 0.8704999280693331
Energy: 0.8503631188251355
Energy: 0.8672183671938455
Energy: 0.8759633620524552

minimum gb energy = 0.850035106349324 eV
minimum distance =  2.35690219446976 Angstroms
sigma value = 9


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

Energy: 1.017512324169343
Energy: 0.9636894160316202
Energy: 0.9084781945270075
Energy: 0.9070654002965456
Energy: 0.968197455369241
Energy: 0.9070100797810614
Energy: 1.0145487767809147
Energy: 0.9329576887172196
Energy: 0.9088727562747809
Energy: 0.9075058084263241
Energy: 0.9335249347503778
Energy: 0.9108289282210815
Energy: 0.93261187958846
Energy: 0.9175341123446029
Energy: 0.9142731611783396
Energy: 0.9149110113584185
Energy: 0.9029589269247915
Energy: 0.910418016487806
Energy: 0.9082128532294906
Energy: 0.9103763914896824
Energy: 0.9092505666987337
Energy: 0.9104884850446602
Energy: 0.9088925077586802
Energy: 0.9098643041599407
Energy: 0.8962759054331656
Energy: 0.8950664440926573
Energy: 0.8925406530578699
Energy: 0.9107715029706124
Energy: 0.9002314399188173
Energy: 0.8918710535336654
Energy: 0.895097252337604
Energy: 0.9022320973693764
Energy: 0.9011586600311696
Energy: 0.8974851714044589
Energy: 0.9063373085663121
Energy: 0.9012295151029842
Energy: 0.9105651714694192
Energy: 0.9013527951877177
Energy: 0.9168488193350437
Energy: 0.8904717260435139
Energy: 0.9041646020840407
Energy: 0.9133163986922243
Energy: 0.954409186804191
Energy: 0.9057518357026118
Energy: 0.9039802974949012
Energy: 0.9018430679911019
Energy: 0.9027855466221785
Energy: 0.904176410441439
Energy: 0.9544881023421489
Energy: 0.8946502503578562
Energy: 0.8951624911594382
Energy: 0.9075682260732237
Energy: 0.8920054079753433
Energy: 0.9113027084067598
Energy: 0.9502931945524158
Energy: 0.909736360146615
Energy: 0.8944084029349119
Energy: 0.906344180637831
Energy: 0.9072321105380968
Energy: 0.8983192660418253
Energy: 0.9553591943920102
Energy: 0.9084262995013564
Energy: 0.9070653225107045
Energy: 0.9075200582802653
Energy: 0.902053176208712
Energy: 0.8989526361300494
Energy: 0.9543674759749419
Energy: 0.9075681976857912
Energy: 0.9105557172581501
Energy: 0.9324604684720866
Energy: 0.9186643136347982
Energy: 0.9098873684545459
Energy: 0.9369359690043239
Energy: 0.9081731445167455
Energy: 0.9094670381075839
Energy: 0.8909007835242372
Energy: 0.9065297894750288
Energy: 0.8990012727288301
Energy: 0.9424132415547619
Energy: 0.9087435198669545
Energy: 0.9119925654792811
Energy: 0.8977699079348673
Energy: 0.9087642369862885
Energy: 0.9108104526529653
Energy: 0.9515471383450634
Energy: 0.903113908866586
Energy: 0.9040455499739402
Energy: 0.9348339067498783
Energy: 0.9018286538957113
Energy: 0.9014165984316551
Energy: 0.9344255112180755
Energy: 0.9133805500950734
Energy: 0.8966401379142924
Energy: 0.8987713619371728
Energy: 0.9173089088173988
Energy: 0.8894703761627794
Energy: 0.9214622465869786
Energy: 0.9105296015736041
Energy: 0.9120835423932656
Energy: 0.9237372328831336
Energy: 0.9056014539041964
Energy: 0.9127223744171358
Energy: 0.9199176838541747
Energy: 0.9172506770570594
Energy: 0.9198006311318153
Energy: 0.908699768607488
Energy: 0.931668223457287
Energy: 0.9199374023231669
Energy: 0.9199736831472354
Energy: 0.913776319500754
Energy: 0.9151278945424319
Energy: 0.9206963089488075
Energy: 0.9318221492643048
Energy: 0.9118171769471255
Energy: 0.9340691683524933
Energy: 0.9133772557696834
Energy: 0.9134769923152475
Energy: 0.8921922388291431
Energy: 0.9131117187572902
Energy: 0.9117277471122899
Energy: 0.943299672955693
Energy: 0.9168108190456276
Energy: 0.9189015394748
Energy: 0.9000543262049596
Energy: 0.9319994427435493
Energy: 0.9211439379860386

minimum gb energy = 0.8894703761627794 eV
minimum distance =  2.31946490115319 Angstroms
sigma value = 27


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

Energy: 0.9907896234640502
Energy: 0.9122075425931397
Energy: 0.8665081054797786
Energy: 0.8737276039484008
Energy: 1.2661100046156708
Energy: 0.9083224789263775
Energy: 0.9242254899705743
Energy: 0.9065393215140334
Energy: 0.9010649673495839
Energy: 0.8983846317772651
Energy: 0.9044823336201717
Energy: 0.9028933629650073
Energy: 0.9876642657697468
Energy: 0.9261857487480164
Energy: 0.8953406995858516
Energy: 0.9073228082613549
Energy: 0.9109559175259054
Energy: 0.9146573588262115
Energy: 0.9716117992962248
Energy: 0.9022000794364458
Energy: 0.9294409113526994
Energy: 0.9333494408000422
Energy: 0.9025471950470316
Energy: 0.902145397084596
Energy: 0.9154721168911997
Energy: 0.902124956081867
Energy: 0.9029341831853891
Energy: 0.9159239087860191
Energy: 0.8961941587436237
Energy: 0.9031754085542735
Energy: 0.9797017750447685
Energy: 0.9020332610997812
Energy: 0.9303762761381733
Energy: 0.9380583773191553
Energy: 0.9000050530628337
Energy: 0.9436130451117063
Energy: 0.9706570457747102
Energy: 0.8708208653307006
Energy: 0.86891574054115
Energy: 0.8993864969265822
Energy: 0.8657226350500672
Energy: 0.8672461368688809
Energy: 0.9791867329756239
Energy: 0.8871446603705412
Energy: 0.9285909197138559
Energy: 0.9366871219324611
Energy: 0.8857811530244494
Energy: 0.9368321982950624
Energy: 0.9871699303451633
Energy: 0.933010633948224
Energy: 0.9331573246126849
Energy: 0.93062466556523
Energy: 0.9360082613386214
Energy: 0.9272964271519872
Energy: 0.9890547559576403
Energy: 0.9412495626258285
Energy: 0.9418819891072263
Energy: 0.9312710175473716
Energy: 0.9552080153212524
Energy: 0.9286241969099788
Energy: 0.9792655732365984
Energy: 0.9369266001265442
Energy: 0.928544920505717
Energy: 0.9304842531589756
Energy: 0.9167572075561627
Energy: 0.9520677631882475
Energy: 0.9823091207416921
Energy: 0.9369503737810605
Energy: 0.9353175812097271
Energy: 0.9385876395448889
Energy: 0.9356254017917521
Energy: 0.9357082348362363
Energy: 0.8921635639621955
Energy: 0.9336439558636838
Energy: 0.8709310736676864
Energy: 0.890153488189079
Energy: 0.9334573363837342
Energy: 0.8716454917767171
Energy: 0.889626303048619
Energy: 0.9418343704247479
Energy: 0.9426234297228843
Energy: 0.8912895929450813
Energy: 0.9360526775631547
Energy: 0.8834118146274943
Energy: 0.984772512048842
Energy: 0.9319565060997426
Energy: 0.9319773892500691
Energy: 0.9386638611924987
Energy: 0.933995060909321
Energy: 0.9356043758939268
Energy: 0.9712845470653766
Energy: 0.9303105995220585
Energy: 0.929772963593227
Energy: 0.9410043510473064
Energy: 0.9325821393822725
Energy: 0.943609243031582
Energy: 0.9176157270776604
Energy: 0.9376169554148024
Energy: 0.94185444966852
Energy: 0.9179774018401786
Energy: 0.9359712979025204
Energy: 0.9493961230699567
Energy: 0.9769546647193801
Energy: 0.9319070612825855
Energy: 0.929332177850359
Energy: 0.931447788819349
Energy: 0.9343447870623033
Energy: 0.9270543418483511
Energy: 0.9657437916236519
Energy: 0.8670768303244087
Energy: 0.877957049630065
Energy: 0.9311277697348077
Energy: 0.8883457959766232
Energy: 0.8758406408854574
Energy: 0.9879920455736702
Energy: 0.8669016830938444
Energy: 0.878418939862877
Energy: 0.9120581648318511
Energy: 0.8894471906513229
Energy: 0.8762781711355444
Energy: 0.9875255643759238
Energy: 0.9327523245734293
Energy: 0.9325397849786646
Energy: 0.9339922337188002
Energy: 0.9336460916189696
Energy: 0.9308596899158462
Energy: 0.9162075193617556
Energy: 0.9000364573757512
Energy: 0.9322235494950704
Energy: 0.9146232254541782
Energy: 0.8985195802471432
Energy: 0.9012746649367636
Energy: 0.9876536265154651
Energy: 0.9016917246174315
Energy: 0.911983942430501
Energy: 0.895707338211032
Energy: 0.9012442475277626
Energy: 0.9486770447946292
Energy: 0.9904801963142319
Energy: 0.9003470908747015
Energy: 0.8973605018799029
Energy: 0.901943086758591
Energy: 0.9053827649680465
Energy: 0.8968052991918679
Energy: 0.9541071464125217
Energy: 0.8966077001698439
Energy: 0.9053118140508376
Energy: 0.8911972480173433
Energy: 0.9045039084138347
Energy: 0.9085032320258699

minimum gb energy = 0.8657226350500672 eV
minimum distance =  2.29247847458021 Angstroms
sigma value = 19


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

Energy: 0.9418296414347184
Energy: 0.9412692623338167
Energy: 0.9112609359323843
Energy: 0.8950702791068866
Energy: 0.9244666837842364
Energy: 0.8739689741056891
Energy: 0.9242500519673504
Energy: 0.8871042967978672
Energy: 0.8881576924825154
Energy: 0.8862445258732892
Energy: 0.88606055720883
Energy: 0.8876598579077337
Energy: 0.914211809864439
Energy: 0.8868595363888546
Energy: 0.8860298133400104
Energy: 0.8958617601668848
Energy: 0.8860555116198972
Energy: 0.8861527183502032
Energy: 0.9071366856373672
Energy: 0.8868252667127777
Energy: 0.8869396783911129
Energy: 0.8889275959318075
Energy: 0.8862929362233177
Energy: 0.8867937867522488
Energy: 0.9166978825567302
Energy: 0.8928051437550942
Energy: 0.8877368760609882
Energy: 0.8936285202554065
Energy: 0.8972060340097161
Energy: 0.8874579151099244
Energy: 0.9078665334381107
Energy: 0.8867777303200781
Energy: 0.8865697305577545
Energy: 0.8879121627091583
Energy: 0.9012752062821008
Energy: 0.886342881507891
Energy: 0.9144326952520305
Energy: 0.8822690130291725
Energy: 0.8814106819719121
Energy: 0.8893409072449395
Energy: 0.8845748899582525
Energy: 0.8811309879858236
Energy: 0.9048067340248607
Energy: 0.883583719097273
Energy: 0.8869025366578994
Energy: 0.8860417189983679
Energy: 0.8822804420095129
Energy: 0.8892842946917949
Energy: 0.9011671438077101
Energy: 0.8871929018892865
Energy: 0.88719565610221
Energy: 0.8866018280768436
Energy: 0.8858519570869502
Energy: 0.8863451145830095
Energy: 0.9069491445179104
Energy: 0.8830820352104952
Energy: 0.8824544128167042
Energy: 0.8910715020595689
Energy: 0.8836772184205324
Energy: 0.8825909183170502
Energy: 0.9043299578230471
Energy: 0.875942069731164
Energy: 0.875364771574342
Energy: 0.8869488502573208
Energy: 0.8761190915798351
Energy: 0.8757845748995756
Energy: 0.9254491673484627
Energy: 0.8855460519427307
Energy: 0.8865066408097697
Energy: 0.8776260201288353
Energy: 0.8751287467252069
Energy: 0.8865094689304998
Energy: 0.9239673518178453
Energy: 0.9018180450920981
Energy: 0.8808702831627611
Energy: 0.8860828797771585
Energy: 0.9027339619636583
Energy: 0.8834812952920266
Energy: 0.9340240387902977
Energy: 0.8884979824114294
Energy: 0.8871942244744423
Energy: 0.8806788001397244
Energy: 0.8892760313811461
Energy: 0.8848400074073126
Energy: 0.9248236272194025
Energy: 0.8773401772484525
Energy: 0.8767028465757248
Energy: 0.86914786471505
Energy: 0.8736508797416556
Energy: 0.8778495941041794
Energy: 0.9291865612200411
Energy: 0.8763185302389672
Energy: 0.8749015967362176
Energy: 0.8807270529901431
Energy: 0.8741724473807143
Energy: 0.8743639527995857
Energy: 0.9178227194197769
Energy: 0.8838838034882059
Energy: 0.8912435469743893
Energy: 0.8774390807781073
Energy: 0.8843187411856605
Energy: 0.8930291189645088
Energy: 0.9167699699881281
Energy: 0.8809857796098799
Energy: 0.8770810699282273
Energy: 0.8698918339063504
Energy: 0.8842988966095295
Energy: 0.8762845056247398
Energy: 0.9279953654625431
Energy: 0.8707272977189635
Energy: 0.875427803128199
Energy: 0.8660840596061271
Energy: 0.870815772380747
Energy: 0.876920495269662
Energy: 0.9012638956122749
Energy: 0.870658307224918
Energy: 0.8758935918804074
Energy: 0.8892963836301341
Energy: 0.8707652897232404
Energy: 0.8763264842119279
Energy: 0.8792377194455295
Energy: 0.8799190095886942
Energy: 0.8749303901799149
Energy: 0.8725072983021883
Energy: 0.8844341863179385
Energy: 0.8739358477166771
Energy: 0.8775227863301732
Energy: 0.875019692590705
Energy: 0.8748408027707837
Energy: 0.872805443154405
Energy: 0.8767605168881816
Energy: 0.8747104200014711
Energy: 0.8977206002625083
Energy: 0.8743296590576938
Energy: 0.872918716298838
Energy: 0.8985633994480304
Energy: 0.8661333018414014
Energy: 0.8729429499886189
Energy: 0.9145313594546772
Energy: 0.8730747421973178
Energy: 0.8739064931111582
Energy: 0.8840736889723849
Energy: 0.8659589211145481
Energy: 0.8751546253576485
Energy: 0.9271640235454774
Energy: 0.8877517828544396
Energy: 0.8765328454943419
Energy: 0.8730718680111588
Energy: 0.8687259487889302
Energy: 0.8762575008206043
Energy: 0.9173792314049287
Energy: 0.8833218000269697
Energy: 0.8842993781852864
Energy: 0.8845589555955213
Energy: 0.8861537276626746
Energy: 0.8888289865393589
Energy: 0.9141628823455786
Energy: 0.8872255312785418
Energy: 0.8846706240107395
Energy: 0.8848796656067716
Energy: 0.8870854547556116
Energy: 0.8842673845107638
Energy: 0.9147399609337283
Energy: 0.8865283960201571
Energy: 0.8868792207205612
Energy: 0.8882424131749671
Energy: 0.8934875276257244
Energy: 0.8868759004938399
Energy: 0.9296027147260315
Energy: 0.9147785450143188
Energy: 0.9170107779118216
Energy: 0.8656949955176111
Energy: 0.91197101801057
Energy: 0.8715242613051153

minimum gb energy = 0.8656949955176111 eV
minimum distance =  2.32934200312435 Angstroms
sigma value = 101


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

Energy: 1.3162325791022358
Energy: 0.865898564631744
Energy: 0.8635714197517269
Energy: 0.8368128535217033
Energy: 0.8535990924569236
Energy: 0.8554817749308326
Energy: 0.9351640496476947
Energy: 0.8510991741069274
Energy: 0.8507608674106866
Energy: 0.8438641838634976
Energy: 0.8453032346347152
Energy: 0.8494324429664067
Energy: 0.9024012432325405
Energy: 0.8448542415468738
Energy: 0.8452907177770882
Energy: 0.8574975916336359
Energy: 0.8451920304371316
Energy: 0.8461638527285723
Energy: 0.8853240669097832
Energy: 0.845109646016074
Energy: 0.8518847191748465
Energy: 0.8441741305594606
Energy: 0.843966033447185
Energy: 0.8519176899504747
Energy: 0.8678193785983073
Energy: 0.8592038629688865
Energy: 0.8593888191788309
Energy: 0.8613589753634524
Energy: 0.8572383158926383
Energy: 0.8588690879411943
Energy: 0.8825659783021298
Energy: 0.853775670045747
Energy: 0.8532273653164305
Energy: 0.8483331842339155
Energy: 0.8474865871911245
Energy: 0.8530632315658834
Energy: 0.8920211900649642
Energy: 0.840683619585892
Energy: 0.8410858755613949
Energy: 0.8664778621741894
Energy: 0.841243746556557
Energy: 0.843655977501283
Energy: 0.8806229385860908
Energy: 0.8445939871784125
Energy: 0.8447020206018202
Energy: 0.847063804412178
Energy: 0.8538574661569063
Energy: 0.8462051386928338
Energy: 0.8502322193403543
Energy: 0.8467118277980746
Energy: 0.8458785473454603
Energy: 0.845117906189574
Energy: 0.853164055477691
Energy: 0.8438316583669714
Energy: 0.8566685634233387
Energy: 0.8545555065600117
Energy: 0.8527619772936859
Energy: 0.8466616244999616
Energy: 0.8560799445784351
Energy: 0.8529220509225377
Energy: 0.8812191877796596
Energy: 0.8324610838185997
Energy: 0.8344232419765892
Energy: 0.8467874575734728
Energy: 0.8323246895795988
Energy: 0.8365284351361023
Energy: 0.9064717232626571
Energy: 0.8536394884819353
Energy: 0.8522995458695904
Energy: 0.8482942750175888
Energy: 0.8437049105573489
Energy: 0.8527557335765171
Energy: 0.8779866566137184
Energy: 0.851209470969321
Energy: 0.8539792076602831
Energy: 0.840399463886723
Energy: 0.8513279727461879
Energy: 0.8442274905923519
Energy: 0.8754605169145275
Energy: 0.8549742479689314
Energy: 0.8525836728694828
Energy: 0.8411151308450069
Energy: 0.8578030174312122
Energy: 0.8509833195934725
Energy: 0.9030363818375037
Energy: 0.8468537670770637
Energy: 0.8475136491867583
Energy: 0.857725992771856
Energy: 0.8469286857013921
Energy: 0.8495561207670355
Energy: 0.9020973567281582
Energy: 0.84509188100424
Energy: 0.8527746878453524
Energy: 0.8448256898229441
Energy: 0.8445036433390043
Energy: 0.8532026156118285
Energy: 0.8848551544241414
Energy: 0.9038079422362503
Energy: 0.8508874391515447
Energy: 0.8268029169257236
Energy: 0.8869595458389113
Energy: 0.8329400596638539
Energy: 0.9391566433073633
Energy: 0.8473774873948086
Energy: 0.8466051131499663
Energy: 0.8559115631446444
Energy: 0.8462354312354927
Energy: 0.8509174392075293
Energy: 0.9024354119385973
Energy: 0.8449565574727137
Energy: 0.8448371338725126
Energy: 0.8552578428289613
Energy: 0.8452373593720613
Energy: 0.8454561808422245
Energy: 0.8830849845866173
Energy: 0.8460433977624351
Energy: 0.8464586963536075
Energy: 0.8449623339828207
Energy: 0.8459213693279947
Energy: 0.8479524946412869
Energy: 0.8688921371880429
Energy: 0.8552687790601403
Energy: 0.853141682373237
Energy: 0.8578268794811114
Energy: 0.8471510891879016
Energy: 0.8530304375214528
Energy: 0.8778203136062186
Energy: 0.8439715475603677
Energy: 0.8520888917608724
Energy: 0.845441595560781
Energy: 0.8448512401500934
Energy: 0.8508996616039599
Energy: 0.8794919707748948
Energy: 0.8420479548451032
Energy: 0.8423028761748562
Energy: 0.8569152465059502
Energy: 0.8410120570368709
Energy: 0.8436436137177787
Energy: 0.8680477684498836
Energy: 0.8454405973788773
Energy: 0.8465437733839498
Energy: 0.8549786080481249
Energy: 0.8459591636168338
Energy: 0.8536263437896113
Energy: 0.8540636088375165
Energy: 0.8519123703535617
Energy: 0.8490516778307181
Energy: 0.8465692459140391
Energy: 0.8472032609177956
Energy: 0.8468126783448242
Energy: 0.8507995337164709
Energy: 0.854525604867131
Energy: 0.8517459053382817
Energy: 0.844548549317093
Energy: 0.8574610176062938
Energy: 0.8506533813099159
Energy: 0.8638496831023559
Energy: 0.8335224054406037
Energy: 0.8351405428002935
Energy: 0.8446306586223281
Energy: 0.8323773645238731
Energy: 0.8373943905888461
Energy: 0.9025657501263821
Energy: 0.8307448034366217
Energy: 0.832422774944034
Energy: 0.8639374639156331
Energy: 0.8288612741885618
Energy: 0.8516072577967917
Energy: 0.8800091787500942
Energy: 0.8547915367535487
Energy: 0.8520692815316452
Energy: 0.8401554011476836
Energy: 0.862972892004868
Energy: 0.8494736634285324
Energy: 0.8783813189649972
Energy: 0.85298109668904
Energy: 0.8521056543594762
Energy: 0.841545949009023
Energy: 0.8445648523427013
Energy: 0.8518925710161791
Energy: 0.9026475652146633
Energy: 0.84831520812674
Energy: 0.8490511702406937
Energy: 0.8496018622764022
Energy: 0.8431364703481783
Energy: 0.8504921904435527
Energy: 0.9032958006896087
Energy: 0.8461015961373128
Energy: 0.8471215489887187
Energy: 0.8467470087043234
Energy: 0.8441483925743416
Energy: 0.8488837707985281
Energy: 0.882628344205175
Energy: 0.8557327185534008
Energy: 0.8516495092523163
Energy: 0.8260869428038048
Energy: 0.8478294819616097
Energy: 0.8506893012996732

minimum gb energy = 0.8260869428038048 eV
minimum distance =  2.32421973421722 Angstroms
sigma value = 33


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

Energy: 0.015446961858348297
Energy: 0.016165417065199292
Energy: 0.016050218279201278
Energy: 0.01714127813899087
Energy: 0.8326265527818454
Energy: 0.015894437651023493
Energy: 0.01602651387401423
Energy: 0.10719042837949455
Energy: 0.10560353187796274
Energy: 0.10765747075508685
Energy: 0.10719914528779606
Energy: 0.10532333146629771
Energy: 1.1104135119901084
Energy: 0.8334150435664794
Energy: 0.8317691856101506
Energy: 0.8331946103039096
Energy: 0.8336754148643543
Energy: 0.8315951822173635
Energy: 0.3805141145258639
Energy: 0.10719042837949455
Energy: 0.10560353188013101
Energy: 0.10765747075639273
Energy: 0.10719914528779606
Energy: 0.10532333146629771

minimum gb energy = 0.015446961858348297 eV
minimum distance =  2.52267109213049 Angstroms
sigma value = 1