Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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=3.61492508649826
cohesive_energy=3.540501757109522
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=[1.4503335478659178e-19, 2.22223501312434e-19, 2.80046056033494e-19, 3.2504959550592e-19, 3.61149839423208e-19, 3.90902259516588e-19, 4.1582411705845797e-19, 4.3683025490683195e-19, 4.548499355094299e-19, 4.70785184311194e-19, 4.8519996748729195e-19, 4.983185897664839e-19, 5.1020513821413e-19, 5.20874032419936e-19, 5.30350907210046e-19, 5.38661397410604e-19, 5.45832740024388e-19, 5.51890569877542e-19, 5.5686052179621e-19, 5.60782650196242e-19, 5.6370982690656e-19, 5.657045368158899e-19, 5.66843684402664e-19, 5.67205776321948e-19, 5.66827662636324e-19, 5.656132127477519e-19, 5.63423037289074e-19, 5.60084101183818e-19, 5.55375304056492e-19, 5.490194693494139e-19, 5.40660913849836e-19, 5.29836608510532e-19, 5.159601566834579e-19, 4.98304170176778e-19, 4.7599866707823e-19, 4.480166521654199e-19, 4.13100416780658e-19, 3.6956126675170797e-19, 3.1500074365747197e-19, 2.46059083096452e-19, 1.5817985493921538e-19, 4.5357139855549796e-20, -1.003036273009164e-19, -2.8979369867475e-19, -5.39513755379892e-19, -8.72691192950094e-19, -1.3218485948789219e-18, -1.9412773185861e-18, -2.8278097154773197e-18, -4.1517363334505395e-18, -6.214362510295799e-18, -9.631500857057339e-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: 4.9999999997e-06 eV

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

Energy: 0.013654753881864674
Energy: 0.42598161635781
Energy: 0.014128736053623213
Energy: 0.013856349212856575
Energy: 0.4246900912296738
Energy: 0.014011129109466188
Energy: 0.4259816163642567
Energy: 0.09810040293260532
Energy: 0.09952048435841096
Energy: 0.0981820851459759
Energy: 0.09819003095496956
Energy: 0.09932315228796026
Energy: 0.014128736052368727
Energy: 0.09952048435841096
Energy: 0.09914381200015285
Energy: 0.01415728762179477
Energy: 0.09820345358144549
Energy: 0.09883785624843887
Energy: 0.013856349212542952
Energy: 0.09818208514935604
Energy: 0.014157287621167528
Energy: 0.013938163858771018
Energy: 0.09806905094727629
Energy: 0.014033134394138422
Energy: 0.4246900912312071
Energy: 0.09819003095406355
Energy: 0.09820345358116674
Energy: 0.09806905094758991
Energy: 0.09816824232877551
Energy: 0.09806991299998476
Energy: 0.014011129110407054
Energy: 0.09932315228398775
Energy: 0.09883785624903126
Energy: 0.014033134394138422
Energy: 0.09806991300089078
Energy: 0.014098430722202357

minimum gb energy = 0.013654753881864674 eV
minimum distance =  2.55230875740105 Angstroms
sigma value = 1


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

Energy: 1.1986532195526136
Energy: 0.7750813781095509
Energy: 0.8026410536286396
Energy: 0.7304816784437138
Energy: 1.133766323045798
Energy: 0.8026620632036533
Energy: 1.0817361215666308
Energy: 0.7424974405449691
Energy: 0.7484778226569496
Energy: 0.7451490560516034
Energy: 0.7493455765341607
Energy: 0.7576572553326931
Energy: 0.7383684249021464
Energy: 0.7481006323264294
Energy: 0.7601910363453406
Energy: 0.7624452745826691
Energy: 0.7478533093342721
Energy: 0.7475354783103684
Energy: 1.1940093085966992
Energy: 0.7487999239570065
Energy: 0.752099830338284
Energy: 0.7482938253405369
Energy: 0.7476723861170941
Energy: 0.7534763839243096
Energy: 1.0820932789918156
Energy: 0.7564399377327573
Energy: 0.7561474225388021
Energy: 0.7442180216171993
Energy: 0.7574078421887958
Energy: 0.7549536733124363
Energy: 1.0785550475757144
Energy: 0.7671919912427724
Energy: 0.75943775167191
Energy: 0.7410544918548203
Energy: 0.7605845081962807
Energy: 0.7604030996188382
Energy: 1.0805536854971771
Energy: 0.7608908262034264
Energy: 0.7613001692591435
Energy: 0.7506735215425345
Energy: 0.7533357279772313
Energy: 0.7600707502181241
Energy: 1.03963776703197
Energy: 0.7604153881400949
Energy: 0.7612937109701983
Energy: 0.7075425984752488
Energy: 0.7598240047284204
Energy: 0.7613461169392799
Energy: 0.877890386357707
Energy: 0.7531161556609243
Energy: 0.7511844832875277
Energy: 0.7603837869306839
Energy: 0.7517910698697624
Energy: 0.7581982304745972
Energy: 0.8724169808037568
Energy: 0.7579692656156783
Energy: 0.7565049564181027
Energy: 0.7482655160343881
Energy: 0.7446654519598422
Energy: 0.7567433001261242
Energy: 0.8650887963657475
Energy: 0.7476662844020108
Energy: 0.7463086746872187
Energy: 0.7818239533910845
Energy: 0.7469093292710707
Energy: 0.7509113789879165
Energy: 0.7814260223382334
Energy: 0.7561674643996026
Energy: 0.7492356650115236
Energy: 0.7474606651850015
Energy: 0.7608600765400483
Energy: 0.7549019186905458
Energy: 0.780558997237505
Energy: 0.7454515491156584
Energy: 0.745445197807049
Energy: 0.7556827800994602
Energy: 0.7583318592514475
Energy: 0.7582866643337739
Energy: 0.8428405487685836
Energy: 0.7457844600655529
Energy: 0.752325287634586
Energy: 0.7617127741350277
Energy: 0.7471393078938504
Energy: 0.745891953350664
Energy: 0.8094482407108708
Energy: 0.7443386955528384
Energy: 0.7550163558348387
Energy: 0.7656917897556942
Energy: 0.7439204303044357
Energy: 0.7493153716601896
Energy: 0.8134312544129217
Energy: 0.7536795830072852
Energy: 0.747548196515923
Energy: 0.76267078721879
Energy: 0.7645156611464592
Energy: 0.7553338024467258
Energy: 1.00024888342588
Energy: 0.7589802097543622
Energy: 0.7589624857448809
Energy: 0.7418397200714488
Energy: 0.758877937948283
Energy: 0.755475518182126
Energy: 0.9752633983371807
Energy: 0.7660215891594153
Energy: 0.7642124514163199
Energy: 0.7622340109369093
Energy: 0.7448993963501438
Energy: 0.7640575102418112
Energy: 0.9771621788415865
Energy: 0.7638328574353737
Energy: 0.764348709967476
Energy: 0.747790522831673
Energy: 0.7631933268442834
Energy: 0.763666894797293
Energy: 1.0330779213053691
Energy: 0.7638290573507157
Energy: 0.764496800800705
Energy: 0.745659426453492
Energy: 0.7551009576728883
Energy: 0.763659826629407
Energy: 1.1259865158023346
Energy: 0.7511184300690752
Energy: 0.7471432727534721
Energy: 0.746690534177265
Energy: 0.7416327252720151
Energy: 0.7488795457211916
Energy: 1.1289183799206353
Energy: 0.7663912004174689
Energy: 0.7612836168237924
Energy: 0.7610971976954232
Energy: 0.7656491458508675
Energy: 0.7482539518300682
Energy: 1.121042725869097
Energy: 0.7514503770562858
Energy: 0.7569242051335591
Energy: 0.751664720621509
Energy: 0.7433016756991667
Energy: 0.7566872467385976

minimum gb energy = 0.7075425984752488 eV
minimum distance =  2.37053208931438 Angstroms
sigma value = 33


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

Energy: 1.3712419855673805
Energy: 0.8151211833876685
Energy: 0.7964638510657563
Energy: 0.802333854871896
Energy: 0.7646494184654936
Energy: 0.8315266569449522
Energy: 1.0589682329636176
Energy: 0.7769549186061786
Energy: 0.7500587689860592
Energy: 0.78317472979182
Energy: 0.7870228060679783
Energy: 0.7748245274197743
Energy: 1.044090531122504
Energy: 0.7802644289535854
Energy: 0.7731408091332099
Energy: 0.8096436201871625
Energy: 0.791478009816701
Energy: 0.7829592322801668
Energy: 1.1225358663018608
Energy: 0.840765881615194
Energy: 0.7869509241299215
Energy: 0.800846247920092
Energy: 0.7951412906962483
Energy: 0.7994718115607108
Energy: 1.0546551513380338
Energy: 0.7882227618169426
Energy: 0.7882099467080459
Energy: 0.791868428965653
Energy: 0.7752567751509014
Energy: 0.789017617746439
Energy: 1.1351351664309914
Energy: 0.7780038337004428
Energy: 0.7828804129819259
Energy: 0.7702010992568692
Energy: 0.8551891085759017
Energy: 0.8405553064575447
Energy: 1.134045277482374
Energy: 0.8373414321397621
Energy: 0.8428959165565535
Energy: 0.8406787540537041
Energy: 0.8273264247455167
Energy: 0.8405701419192964
Energy: 1.0552229043099475
Energy: 0.8158482666003382
Energy: 0.8177352359814262
Energy: 0.7960292337554037
Energy: 0.8157179715883335
Energy: 0.8172222144945739
Energy: 0.9224529519471893
Energy: 0.8166396208339585
Energy: 0.8460944967627996
Energy: 0.8551068665092812
Energy: 0.8084640971375605
Energy: 0.8550992135840849
Energy: 0.9219648637725119
Energy: 0.8486303298580503
Energy: 0.8474822685910037
Energy: 0.8557198447179214
Energy: 0.8497995102549423
Energy: 0.848687594642289
Energy: 0.9450656164911898
Energy: 0.7418609666639389
Energy: 0.7418560792917
Energy: 0.801497447110303
Energy: 0.7419890431492587
Energy: 0.7419873710834856
Energy: 0.8492095716107523
Energy: 0.7848646555828244
Energy: 0.8287078966330648
Energy: 0.8462293779075505
Energy: 0.7832668827203169
Energy: 0.8279869385637902
Energy: 0.8462433706489442
Energy: 0.8505490864735209
Energy: 0.8373130117115067
Energy: 0.8465134645894598
Energy: 0.8381736160344837
Energy: 0.8222614720520209
Energy: 0.8652394038741436
Energy: 0.8012384585271068
Energy: 0.8008338343947446
Energy: 0.8517780844638991
Energy: 0.8019431705650235
Energy: 0.7922984341858493
Energy: 0.9074180539070766
Energy: 0.848457374647952
Energy: 0.8485248867280724
Energy: 0.8449206351979527
Energy: 0.8488839922506782
Energy: 0.8246122234626274
Energy: 0.9097510619428633
Energy: 0.8388177700924848
Energy: 0.838146075991272
Energy: 0.8538559128878731
Energy: 0.850800214598327
Energy: 0.838660256411333
Energy: 1.0733756312361824
Energy: 0.8377526386220573
Energy: 0.8382283872689605
Energy: 0.8271587949305845
Energy: 0.8376878867623904
Energy: 0.8384062429867918
Energy: 0.9836878724165076
Energy: 0.8469679815398675
Energy: 0.8368278390112139
Energy: 0.8155085099588318
Energy: 0.8378976305355277
Energy: 0.81663151232617
Energy: 0.9751979563188327
Energy: 0.8546330060612988
Energy: 0.8504141729999848
Energy: 0.81650621166861
Energy: 0.8551660559703863
Energy: 0.8395944466162523
Energy: 1.0823353897202241
Energy: 0.8550155160801693
Energy: 0.8505496223665069
Energy: 0.8498324379374378
Energy: 0.8553262290892453
Energy: 0.8469603643277801
Energy: 1.2273058917690085
Energy: 0.8488457873357531
Energy: 0.7416367046471227
Energy: 0.7415709309981423
Energy: 0.849381995053369
Energy: 0.7415140784362686
Energy: 0.9375880242420372
Energy: 0.8302737678532789
Energy: 0.8295947014150677
Energy: 0.7835965980715309
Energy: 0.8455814023483964
Energy: 0.8309295712165929
Energy: 1.0633652995237408
Energy: 0.845674068752664
Energy: 0.8291662221972455
Energy: 0.8492937071607048
Energy: 0.8462546205292152
Energy: 0.8452971921803906
Energy: 1.1231438588329499
Energy: 0.8784541910061802
Energy: 0.85566218980867
Energy: 0.7917562355125204
Energy: 0.8589425263895636
Energy: 0.8273076745074688
Energy: 1.0318706460091347
Energy: 0.8453035970816836
Energy: 0.8322084030943722
Energy: 0.837310138168584
Energy: 0.82485020135607
Energy: 0.8503638140596449
Energy: 1.0560572347137764
Energy: 0.8512130553366118
Energy: 0.8388760244312118
Energy: 0.8507783809507332
Energy: 0.8525854158306228
Energy: 0.8396766375968695
Energy: 1.1342193664526259
Energy: 0.8388260118023688
Energy: 0.8378844710564831
Energy: 0.837015563757167
Energy: 0.8337655897017002
Energy: 0.8365975065704195
Energy: 1.0563346582876911
Energy: 0.8153125923729894
Energy: 0.8167022833717663
Energy: 0.8571272548180526
Energy: 0.8155650395109451
Energy: 0.8411544361119925
Energy: 0.9226775459214926
Energy: 0.8153332003575655
Energy: 0.8163110802901894
Energy: 0.8568597046703929
Energy: 0.815361839247479
Energy: 0.849882119939343
Energy: 0.9223628549062216
Energy: 0.8493771240862984
Energy: 0.8466767768578835
Energy: 0.854759788774291
Energy: 0.8492089809993255
Energy: 0.8385050051717196
Energy: 0.9304932168453507
Energy: 0.7413390671864002
Energy: 0.7415129837443093
Energy: 0.8251782747813792
Energy: 0.7416980611720534
Energy: 0.7415508020614567
Energy: 0.8448998383739664
Energy: 0.766689629161009
Energy: 0.7401991100028934
Energy: 0.8452232834534988
Energy: 0.7847968701857441
Energy: 0.8286264552875341
Energy: 0.8469173237803198
Energy: 0.8490084142623363
Energy: 0.8485730623830839
Energy: 0.8475003737793857
Energy: 0.8495055903712643
Energy: 0.8297378962032351
Energy: 0.8454238970625699
Energy: 0.7920619531417872
Energy: 0.7917701686352563
Energy: 0.8496950551390442
Energy: 0.8016938155397788
Energy: 0.7933140396902381
Energy: 0.9064311121874848
Energy: 0.8511869588042703
Energy: 0.8539679030268467
Energy: 0.7873329169564215
Energy: 0.8382914063162447
Energy: 0.8359760641612698
Energy: 0.9055775560461105
Energy: 0.8313331745172002
Energy: 0.8349049578600953
Energy: 0.8547452510694545
Energy: 0.8445242097469772
Energy: 0.8401926911489228
Energy: 0.907564619254314
Energy: 0.7749446665129434
Energy: 0.7743578955602385
Energy: 0.7665121896051175
Energy: 0.7742978093745417
Energy: 0.7786422300728977
Energy: 0.975248456444098
Energy: 0.8442817359874881
Energy: 0.7869922716221043
Energy: 0.8176542902425616
Energy: 0.7895341615473979
Energy: 0.7878971781313429
Energy: 0.98167890769565
Energy: 0.7892838533383001
Energy: 0.7906271869025047
Energy: 0.8155276968389006
Energy: 0.7983934747758419
Energy: 0.816874755535962
Energy: 1.0550829617049853
Energy: 0.7986938926310552
Energy: 0.7947326196981827
Energy: 0.7897752787140332
Energy: 0.7884222666238259
Energy: 0.7921705921176583
Energy: 1.2733089700553688
Energy: 0.781556708343635
Energy: 0.741475807450388
Energy: 0.7413570421956127
Energy: 0.7706661738264196
Energy: 0.7794769964421326

minimum gb energy = 0.7401991100028934 eV
minimum distance =  2.33774629321088 Angstroms
sigma value = 51


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

Energy: 1.2432998769382493
Energy: 0.8148016088429213
Energy: 0.7781034778881716
Energy: 0.7757264771578147
Energy: 0.7642337732791386
Energy: 0.823245548010619
Energy: 0.9497092732232807
Energy: 0.8022082956084946
Energy: 0.7897561924418575
Energy: 0.754794098907863
Energy: 0.8019706595930245
Energy: 0.7749316996650616
Energy: 1.1194374261488484
Energy: 0.8023453653132332
Energy: 0.7747471515186058
Energy: 0.7750719125069472
Energy: 0.8027245226630653
Energy: 0.7986376050886091
Energy: 1.1158039758882325
Energy: 0.7753636189031604
Energy: 0.7755585250000073
Energy: 0.7860167824081309
Energy: 0.7755829892374443
Energy: 0.7864491972394492
Energy: 0.9516608892401214
Energy: 0.8088181894102882
Energy: 0.8080059864479184
Energy: 0.7692259178291241
Energy: 0.7981335310890735
Energy: 0.8073133176138523
Energy: 0.9509700187058523
Energy: 0.8072704738475045
Energy: 0.8073887222019647
Energy: 0.7982480477413213
Energy: 0.8066595988668862
Energy: 0.8072220515002727
Energy: 0.9511706567763094
Energy: 0.7688861191059417
Energy: 0.7682996946192105
Energy: 0.7982703737865691
Energy: 0.7550496954420358
Energy: 0.8067593795268639
Energy: 0.9369554865863894
Energy: 0.7742561077249625
Energy: 0.7747987468689148
Energy: 0.7921364444440419
Energy: 0.7738918110200732
Energy: 0.7746546482757211
Energy: 0.8031011213893163
Energy: 0.7783899711327894
Energy: 0.7791074643281332
Energy: 0.8030750062093232
Energy: 0.7790460726106766
Energy: 0.7954057124322291
Energy: 0.8020913793650846
Energy: 0.7783406211714214
Energy: 0.776790315392777
Energy: 0.8022107982365095
Energy: 0.7789255175035821
Energy: 0.7894722387458647
Energy: 0.820263066082972
Energy: 0.7754645272972569
Energy: 0.7742274096366769
Energy: 0.7808781710759505
Energy: 0.7778198426717126
Energy: 0.775011585735929
Energy: 0.837542495759352
Energy: 0.778891298537335
Energy: 0.7787804095301221
Energy: 0.7854823737106978
Energy: 0.7757956214400937
Energy: 0.8086900508575939
Energy: 0.8372156411419229
Energy: 0.786482349697973
Energy: 0.7961311597443701
Energy: 0.806216038023801
Energy: 0.7781247950482565
Energy: 0.7959289962511391
Energy: 0.8382375469504791
Energy: 0.7885136333047711
Energy: 0.7884478358156678
Energy: 0.7753148244070638
Energy: 0.7882399909812401
Energy: 0.7885175235202402
Energy: 1.0165258138838444
Energy: 0.7785838071767773
Energy: 0.7778034706119207
Energy: 0.7888900075458758
Energy: 0.7871559982125722
Energy: 0.7780493349688165
Energy: 1.018315980819488
Energy: 0.8091407186279703
Energy: 0.7881381554466299
Energy: 0.7909923558396841
Energy: 0.8089424510764124
Energy: 0.7920864115546522
Energy: 1.0256821431348162
Energy: 0.808269913933734
Energy: 0.8075270157430168
Energy: 0.806426650333032
Energy: 0.8085197515422319
Energy: 0.7961654876516271
Energy: 1.2112528398095361
Energy: 0.7864428795556675
Energy: 0.7919001650732869
Energy: 0.773233449911697
Energy: 0.7861151157039329
Energy: 0.7776251792200579

minimum gb energy = 0.754794098907863 eV
minimum distance =  2.37039752212992 Angstroms
sigma value = 19


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

Energy: 1.050448966519804
Energy: 0.7478881447508979
Energy: 0.7690153430357196
Energy: 0.8491890397091302
Energy: 0.7478673349728779
Energy: 0.7682549251971543
Energy: 0.8967908498062107
Energy: 0.7479280986017626
Energy: 0.7478380664935784
Energy: 0.7758356459185831
Energy: 0.7477613013284835
Energy: 0.7478808231641476
Energy: 0.894953049555944
Energy: 0.7480677648794539
Energy: 0.7480138260286511
Energy: 0.7812006261019715
Energy: 0.748001944394358
Energy: 0.7478065527636294
Energy: 0.8902637751441814
Energy: 0.7482160480886472
Energy: 0.7477051409630143
Energy: 0.7715301424058802
Energy: 0.7475522831607819
Energy: 0.7478355359675236
Energy: 0.8966436066575261
Energy: 0.7478111025429341
Energy: 0.7751071386653875
Energy: 0.7760852417148446
Energy: 0.7476875093533002
Energy: 0.7755322376271093
Energy: 0.8970073748674224
Energy: 0.726800703333788
Energy: 0.7745303739228748
Energy: 0.7766292100062975
Energy: 0.7268129563431907
Energy: 0.77521459949545
Energy: 0.8964598793026539
Energy: 0.7752855012339789
Energy: 0.775003284153859
Energy: 0.7765787929564137
Energy: 0.7343700017120103
Energy: 0.7760259111734675
Energy: 0.8423602378816553
Energy: 0.7348572439340191
Energy: 0.7345350277773468
Energy: 0.7484995176733577
Energy: 0.7438038203385652
Energy: 0.7278687871922751
Energy: 0.7478921743218033
Energy: 0.7351897430813256
Energy: 0.7275637623888233
Energy: 0.7478943188381657
Energy: 0.7346209937190751
Energy: 0.726824133145962
Energy: 0.7489080830743978
Energy: 0.7484107881507915
Energy: 0.7480032025866702
Energy: 0.7480490363025358
Energy: 0.7808470153701239
Energy: 0.7479153706898551
Energy: 0.7462149288292127
Energy: 0.7720763622798549
Energy: 0.7724511249995067
Energy: 0.7471898716217641
Energy: 0.7728426934543597
Energy: 0.7476650110300789
Energy: 0.8952130768116305
Energy: 0.7767570949911298
Energy: 0.7746106868086213
Energy: 0.7474804260592752
Energy: 0.7808447868062828
Energy: 0.7476980341892956
Energy: 0.7265933528987817
Energy: 0.7757287594995403
Energy: 0.7759084939599087
Energy: 0.7288745390979885
Energy: 0.7765750373993164
Energy: 0.7761595973721429
Energy: 0.8961358226888835
Energy: 0.775591083966344
Energy: 0.7756270265334692
Energy: 0.7478778970527592
Energy: 0.7756043415420084
Energy: 0.775419957094222
Energy: 1.0552721718635376
Energy: 0.747868825151691
Energy: 0.7479300774611649
Energy: 0.7347673940680973
Energy: 0.7477082400819708
Energy: 0.7272771291753751
Energy: 1.0523533266388387
Energy: 0.7496256767424749
Energy: 0.7282605643253449
Energy: 0.7288223272195536
Energy: 0.7480207922558295
Energy: 0.7344067836723884
Energy: 0.8968162648255933
Energy: 0.7478687127930241
Energy: 0.7479270989616583
Energy: 0.7757367506766067
Energy: 0.7479607894283501
Energy: 0.7479532131236611
Energy: 0.8915681925890723
Energy: 0.7477493862627653
Energy: 0.7478645831573589
Energy: 0.77152748820237
Energy: 0.747828794746129
Energy: 0.7478702294372723
Energy: 0.8887581131319697
Energy: 0.7481049179002837
Energy: 0.7479981169391553
Energy: 0.7715940192291084
Energy: 0.7480800131656041
Energy: 0.7480106506982775
Energy: 0.8961108280255144
Energy: 0.7267564726320302
Energy: 0.7755887376416407
Energy: 0.7751965540521328
Energy: 0.7266139075306545
Energy: 0.774141561865774
Energy: 0.8923700604572269
Energy: 0.7749680029734579
Energy: 0.7750912907707016
Energy: 0.7767016903298446
Energy: 0.7477836101897406
Energy: 0.7754395139276128
Energy: 0.8958164863590988
Energy: 0.775340277939965
Energy: 0.7749156447941011
Energy: 0.7749527561940772
Energy: 0.7345993188728217
Energy: 0.7747946429327822
Energy: 0.8442526576635209
Energy: 0.72877868804504
Energy: 0.7281955748084686
Energy: 0.8442332713619314
Energy: 0.7278786080963812
Energy: 0.7269998716733227
Energy: 0.7478438151128307
Energy: 0.7489632400380554
Energy: 0.7480531056538527
Energy: 0.7477266334304655
Energy: 0.7671658215858403
Energy: 0.7478633647979549
Energy: 0.7479041201620565
Energy: 0.7575128640506951
Energy: 0.7480261082588268
Energy: 0.7480427711658002
Energy: 0.781128170488319
Energy: 0.7479193691228526
Energy: 0.845500913388571
Energy: 0.7719987389679871
Energy: 0.7729160700793574
Energy: 0.8451800444250209
Energy: 0.7715422652861817
Energy: 0.7477016566271806
Energy: 0.8958074852542423
Energy: 0.7751434363313716
Energy: 0.7754280647568058
Energy: 0.7477842616326762
Energy: 0.7766472094287776
Energy: 0.7751724522075145
Energy: 0.7266461879060668
Energy: 0.7766756006860444
Energy: 0.7756221166471168
Energy: 0.726751863805925
Energy: 0.7766721774002541
Energy: 0.7740069579609251
Energy: 0.8448429329694727
Energy: 0.7764048453177509
Energy: 0.7758220630246452
Energy: 0.7348244187550971
Energy: 0.7767995784678531
Energy: 0.7755163502475437
Energy: 1.0538753412406296
Energy: 0.7481914200747748
Energy: 0.7267892137030365
Energy: 0.7418466390805697
Energy: 0.7479789538294108
Energy: 0.7354645249507429

minimum gb energy = 0.7265933528987817 eV
minimum distance =  2.39856906924837 Angstroms
sigma value = 27


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

Energy: 0.896510730853965
Energy: 0.7210186978258065
Energy: 0.8985477014168103
Energy: 0.7542005217152652
Energy: 0.720716461399066
Energy: 0.7907478974003227
Energy: 0.8767786058256157
Energy: 0.7525374108435791
Energy: 0.7035821727692425
Energy: 0.7084993896486989
Energy: 0.7524438517484587
Energy: 0.6725070020648912
Energy: 0.8031713680071458
Energy: 0.7533993012652249
Energy: 0.7034470742014104
Energy: 0.672936645332013
Energy: 0.7536044679168569
Energy: 0.7053665512224889
Energy: 0.8045380639788928
Energy: 0.7045029571242778
Energy: 0.7052236593775781
Energy: 0.6958879417315039
Energy: 0.7202696986369109
Energy: 0.7033190584651644
Energy: 0.8770354629391188
Energy: 0.6843560959505465
Energy: 0.6939436805529001
Energy: 0.7535901203458374
Energy: 0.6871555003790984
Energy: 0.6951510539346115
Energy: 0.752540803758974
Energy: 0.6852156251056506
Energy: 0.6841831545754642
Energy: 0.752565814302189
Energy: 0.6887731226354559
Energy: 0.6838889957516708
Energy: 0.7536193617533425
Energy: 0.6950990362238391
Energy: 0.694126300864643
Energy: 0.753883447845753
Energy: 0.7077235386019219
Energy: 0.704437021402502
Energy: 0.753418030325708
Energy: 0.6906219244455255
Energy: 0.6907553571578152
Energy: 0.7535982076933762
Energy: 0.6904269927333514
Energy: 0.6912112724863231
Energy: 0.8032149997468979
Energy: 0.6900932458594436
Energy: 0.6722488749427895
Energy: 0.7527638135967967
Energy: 0.6907010879517457
Energy: 0.7031411733990505
Energy: 0.8045063063506483
Energy: 0.7255952688756291
Energy: 0.7256799303201311
Energy: 0.7399779841569899
Energy: 0.6954770339505251
Energy: 0.734216518334349
Energy: 0.8034472767369225
Energy: 0.7413426349981407
Energy: 0.7392378588944348
Energy: 0.7048087679812625
Energy: 0.7410858285192967
Energy: 0.7381979346425753
Energy: 0.8032108967761502
Energy: 0.7035852426418868
Energy: 0.7031234693667402
Energy: 0.7087721291178243
Energy: 0.7534857591521398
Energy: 0.6724542865951183

minimum gb energy = 0.6722488749427895 eV
minimum distance =  2.41782605357524 Angstroms
sigma value = 9


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

Energy: 1.4936128712669037
Energy: 0.7117526208832865
Energy: 0.6255904397176942
Energy: 0.6505865976484567
Energy: 0.7115896383462565
Energy: 0.6547958004901053
Energy: 0.6864194948195915
Energy: 0.6530941998451274
Energy: 0.6482937588358438
Energy: 0.6363593188278767
Energy: 0.6528519245354387
Energy: 0.6361026764700631
Energy: 0.6854969232417386
Energy: 0.6531307579340851
Energy: 0.6533248751092665
Energy: 0.6511349587848468
Energy: 0.6540444492519271
Energy: 0.6472193244105952
Energy: 0.6868384736358393
Energy: 0.6149402622530008
Energy: 0.6147288690942755
Energy: 0.6485204364285994
Energy: 0.6606769861791273
Energy: 0.6146646967478542
Energy: 0.7255151312929677
Energy: 0.6337817749182101
Energy: 0.665607913691875
Energy: 0.6629678996178884
Energy: 0.633442887539243
Energy: 0.6448184956061229
Energy: 0.6634936291516202
Energy: 0.6279574506254068
Energy: 0.6647882267089648
Energy: 0.663584923463427
Energy: 0.6342525467178536
Energy: 0.6366339051495286
Energy: 0.6632383724959648
Energy: 0.615315131091392
Energy: 0.6146101503269368
Energy: 0.6643178287778021
Energy: 0.6348434003778944
Energy: 0.668867675353111
Energy: 0.6654645198446384
Energy: 0.6413997071068223
Energy: 0.6474153420129451
Energy: 0.6630248459793909
Energy: 0.6414954649164047
Energy: 0.6329033465200123
Energy: 0.7860983346086435
Energy: 0.6476759740786571
Energy: 0.6695538189012791
Energy: 0.6678920787607215
Energy: 0.6515202572724362
Energy: 0.652925866728781
Energy: 0.6352793281671506
Energy: 0.6159711014587095
Energy: 0.6178139317233218
Energy: 0.6334816736109485
Energy: 0.6563110014792805
Energy: 0.6150680913521088
Energy: 0.6285631815420433
Energy: 0.6633950864324489
Energy: 0.668444775516384
Energy: 0.6431854107268222
Energy: 0.6633667096101872
Energy: 0.6659977547668277
Energy: 0.7994882659271497
Energy: 0.6638488753244062
Energy: 0.6638669719622988
Energy: 0.6259263455269556
Energy: 0.6638611657274633
Energy: 0.645335887052623
Energy: 0.914147682018653
Energy: 0.7915465352525936
Energy: 0.6131933306141054
Energy: 0.6156325469879812
Energy: 0.650000523023192
Energy: 0.6161314137914441
Energy: 0.7958659323368366
Energy: 0.6636779802494731
Energy: 0.644453702411173
Energy: 0.625981689349896
Energy: 0.6632167879509201
Energy: 0.645570832869439
Energy: 0.6532069455900456
Energy: 0.6459865594846126
Energy: 0.6458515604589525
Energy: 0.6532829936922488
Energy: 0.6476860756226909
Energy: 0.6881972807038537
Energy: 0.6533709973239602
Energy: 0.6351578294383371
Energy: 0.6523021259918201
Energy: 0.6539555959490255
Energy: 0.6508058988871449
Energy: 0.6468511244686997
Energy: 0.6520182754635577
Energy: 0.6246070825176844
Energy: 0.6436167529679369
Energy: 0.6518466209681754
Energy: 0.6247218563342464
Energy: 0.6358249119353523
Energy: 0.6862471482363794
Energy: 0.6141911134381609
Energy: 0.6432503775156145
Energy: 0.6515792309727407
Energy: 0.6425190411297279
Energy: 0.6463923453891398
Energy: 0.6856447261831587
Energy: 0.6329225573433173
Energy: 0.6331885525338747
Energy: 0.6524643961529256
Energy: 0.6430857651321975
Energy: 0.6299806234259923
Energy: 0.6849482164063276
Energy: 0.6431197747694658
Energy: 0.6353638449646638
Energy: 0.6421568082678344
Energy: 0.6421905463571188
Energy: 0.638217862611966
Energy: 0.6848209398373415
Energy: 0.6550222987455001
Energy: 0.6336081644114777
Energy: 0.6405042692184229
Energy: 0.6538138201488556
Energy: 0.6375752586473515
Energy: 0.7258941659826794
Energy: 0.6694537516975466
Energy: 0.6440382476056307
Energy: 0.6348734902863419
Energy: 0.6523500722089409
Energy: 0.6078985301700668
Energy: 0.7348033428077086
Energy: 0.6521816814022358
Energy: 0.650069560283852
Energy: 0.6343253121391527
Energy: 0.6522160322561774
Energy: 0.6083519556509511
Energy: 0.684655857107374
Energy: 0.6557305653234663
Energy: 0.6555134917611998
Energy: 0.6583058258535592
Energy: 0.6537213702122243
Energy: 0.646252757447559
Energy: 0.9197975808489814
Energy: 0.6654102569833785
Energy: 0.6452291181979743
Energy: 0.6489574357303907
Energy: 0.6545500114220397
Energy: 0.6473758490826954
Energy: 0.6841521143260373
Energy: 0.6256079798584369
Energy: 0.6151084817859702
Energy: 0.6644502130109471
Energy: 0.6260029955847757
Energy: 0.6458458277719913
Energy: 0.6320993540639833
Energy: 0.64222807298407
Energy: 0.6177079572738611
Energy: 0.6324286309430551
Energy: 0.6446035184576376
Energy: 0.6414148461752416
Energy: 0.6635305512004607
Energy: 0.6149464825119355
Energy: 0.6152535937659103
Energy: 0.6637556140051123
Energy: 0.6259223290155851
Energy: 0.6673371371745896
Energy: 0.6634281451844382
Energy: 0.6394364897804424
Energy: 0.6675600477424875
Energy: 0.663678815257547
Energy: 0.6401487974057504
Energy: 0.6691892122915769
Energy: 0.669476861353984
Energy: 0.6444531671366788
Energy: 0.6467718306100154
Energy: 0.6556067839056793
Energy: 0.6417340402740173
Energy: 0.6184355733306254
Energy: 0.6285647394078934
Energy: 0.6244043184474415
Energy: 0.6493416920527246
Energy: 0.6422097629264779
Energy: 0.6485340972490731
Energy: 0.6696634307911052
Energy: 0.6330029963937517
Energy: 0.6630786031229463
Energy: 0.6397783983186063
Energy: 0.633355562939904
Energy: 0.6628065304045337
Energy: 0.6152383743159865
Energy: 0.7983075323422685
Energy: 0.663755432852392
Energy: 0.6632668096601019
Energy: 0.6590759590266249
Energy: 0.6653743792673766
Energy: 0.6148655833982223
Energy: 0.680361015235348
Energy: 0.6634892644251148
Energy: 0.6639179522494771
Energy: 0.6410883399527264
Energy: 0.6633088111409435
Energy: 0.6175669876381363
Energy: 0.6771112550994898
Energy: 0.6451652992195487
Energy: 0.6469678470191481
Energy: 0.6403806404294573
Energy: 0.6629604156360817
Energy: 0.6455077007468161
Energy: 0.6794258493270025
Energy: 0.6464154086343824
Energy: 0.6446918017106686
Energy: 0.6532216160957776
Energy: 0.649974348308748
Energy: 0.6200224526602423
Energy: 0.6538016308104908
Energy: 0.65084574667574
Energy: 0.6470106020494323
Energy: 0.6533955732894108
Energy: 0.6486255744926628
Energy: 0.647691080950106
Energy: 0.6520561166407374
Energy: 0.6317850927025719
Energy: 0.6316190461577437
Energy: 0.6522455090071642
Energy: 0.6372104034146916
Energy: 0.6530903801982884
Energy: 0.6817622732185605
Energy: 0.6138055566873837
Energy: 0.6140344057275288
Energy: 0.6357593464311481
Energy: 0.6143651836955318
Energy: 0.6405220569995603
Energy: 0.6846088603135778
Energy: 0.6332703912630081
Energy: 0.6317824943782677
Energy: 0.6519578173917
Energy: 0.6325265516474472
Energy: 0.639987123952837
Energy: 0.6837043172797975
Energy: 0.642500167844966
Energy: 0.6392473819094155
Energy: 0.6403898427826851
Energy: 0.6443940399180398
Energy: 0.6360187737468848
Energy: 0.685870120674732
Energy: 0.644499575368323
Energy: 0.6453752833406365
Energy: 0.6544429967205702
Energy: 0.6436868772803576
Energy: 0.6434447742561381
Energy: 0.7235305631113184
Energy: 0.6523390239301343
Energy: 0.6403742538745143
Energy: 0.6343263302604569
Energy: 0.6524822283058032
Energy: 0.6082844749107206

minimum gb energy = 0.6078985301700668 eV
minimum distance =  2.37257368388351 Angstroms
sigma value = 57


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

Energy: 0.3263153586199704
Energy: 0.5496087040589851
Energy: 0.36089851345372215
Energy: 0.3275028283853227
Energy: 0.36781625710442084
Energy: 0.3291059722555047
Energy: 0.39891841872565337
Energy: 0.34569387841255544
Energy: 0.34783576843321456
Energy: 0.3631037830590636
Energy: 0.3658389789314433
Energy: 0.35095438955206454
Energy: 0.40266795656775906
Energy: 0.36943932813008973
Energy: 0.34949091981616515
Energy: 0.36522421005050953
Energy: 0.36724849559389267
Energy: 0.34875425670563304
Energy: 0.40275746380654354
Energy: 0.36943884933208565
Energy: 0.34955206467398936
Energy: 0.3669926674923571
Energy: 0.3728429149397792
Energy: 0.3480498578160288
Energy: 0.3984685323947241
Energy: 0.3299282711759239
Energy: 0.3447893386923648
Energy: 0.4054801089662679
Energy: 0.32810607402499997
Energy: 0.3592302059877656
Energy: 0.3665406195201792
Energy: 0.32880222358511013
Energy: 0.33059099035750755
Energy: 0.34568868147350634
Energy: 0.33193086551567835
Energy: 0.34463251955650076
Energy: 0.3613308810573732
Energy: 0.3457686466515065
Energy: 0.3480504292344235
Energy: 0.362166489821767
Energy: 0.34284385630847874
Energy: 0.35271458164837455
Energy: 0.36676394348651503
Energy: 0.34950780617224647
Energy: 0.35158784808619614
Energy: 0.3670057483541608
Energy: 0.34554261860411356
Energy: 0.3477857591685989
Energy: 0.39803095836497326
Energy: 0.34894025629975617
Energy: 0.35423060237659454
Energy: 0.36671342174490323
Energy: 0.3646708946312758
Energy: 0.34821132184426445
Energy: 0.33227592346720813
Energy: 0.3694722091485032
Energy: 0.3303762324379876
Energy: 0.32746475066077274
Energy: 0.36459065821582526
Energy: 0.34414966086312193
Energy: 0.32717762543397605
Energy: 0.34689277869992646
Energy: 0.3497198053436487
Energy: 0.32764041859166537
Energy: 0.3433767069057816
Energy: 0.3304524255927113
Energy: 0.39985597532823025
Energy: 0.3686338537945193
Energy: 0.3516123517466236
Energy: 0.36363346053013357
Energy: 0.3650441614519742
Energy: 0.35117360433225786
Energy: 0.4031363318477564
Energy: 0.40566544922760134
Energy: 0.36713411988770617
Energy: 0.34667682571083414
Energy: 0.40342484695004294
Energy: 0.36889594421637684
Energy: 0.3988815111501152
Energy: 0.3676809560872002
Energy: 0.3566888174651216
Energy: 0.3653068690021526
Energy: 0.3646078223488565
Energy: 0.35322925404641664
Energy: 0.4025981738571843
Energy: 0.3334978615257306
Energy: 0.3288265748501884
Energy: 0.36662625815897576
Energy: 0.3291202243199327
Energy: 0.32891771948567333
Energy: 0.36400446995348756
Energy: 0.3482869554332079
Energy: 0.3517892021532891
Energy: 0.36498148243112544
Energy: 0.32879336744756965
Energy: 0.3487468449609857
Energy: 0.3662186482132118
Energy: 0.3403131634889243
Energy: 0.3556540287143603
Energy: 0.3665904462528946
Energy: 0.36591457313923764
Energy: 0.35034189817494726
Energy: 0.40260731075860495
Energy: 0.34885526107298076
Energy: 0.3581137947296126
Energy: 0.4034162007084866
Energy: 0.34611372184727157
Energy: 0.34757273845527803
Energy: 0.3271824628431483
Energy: 0.346406523460814
Energy: 0.34733897411636117
Energy: 0.32772941745867573
Energy: 0.34741252423852514
Energy: 0.3615949501818856

minimum gb energy = 0.3263153586199704 eV
minimum distance =  2.43115682228064 Angstroms
sigma value = 11


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

Energy: 1.01434976214929
Energy: 0.5301714743234888
Energy: 0.633290963116409
Energy: 0.5563736961015061
Energy: 0.5315145877526519
Energy: 0.6277546587533375
Energy: 0.5247020708415007
Energy: 0.5353001219878255
Energy: 0.5359237128753563
Energy: 0.5341706277273547
Energy: 0.5280257865081598
Energy: 0.5314138089115288
Energy: 0.5270437330413775
Energy: 0.5323431647693136
Energy: 0.5339830515513879
Energy: 0.5274850706645083
Energy: 0.5321908419485502
Energy: 0.524795955037603
Energy: 0.5268837589732991
Energy: 0.5388716994120694
Energy: 0.5397298649940476
Energy: 0.5275540969429496
Energy: 0.5254296205931606
Energy: 0.5303299020719594
Energy: 0.5247754971927832
Energy: 0.6170411411680412
Energy: 0.5763977165323545
Energy: 0.5441624775833982
Energy: 0.5351896183231083
Energy: 0.530421421105365
Energy: 0.5655866407295121
Energy: 0.5777219751653291
Energy: 0.5805806591401022
Energy: 0.5355171738433637
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Energy: 0.5675842415387627
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Energy: 0.5271515381926567
Energy: 0.5312219795686404
Energy: 0.5250455019883513
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Energy: 0.5255108563911467
Energy: 0.5393220415410698
Energy: 0.5386015566209471
Energy: 0.5407300775634928
Energy: 0.5381938590204979
Energy: 0.5376633719329839
Energy: 0.5381022926295387
Energy: 0.5654789810523808
Energy: 0.5305160320340244
Energy: 0.5225323597880824
Energy: 0.5408646440501488
Energy: 0.5250507548386256
Energy: 0.5318320785274724
Energy: 0.7328527073345521
Energy: 0.5661447328066815
Energy: 0.5667774872455171
Energy: 0.5308236556015341
Energy: 0.5840470496481267
Energy: 0.5794698608901524
Energy: 0.5977688780188738
Energy: 0.5651694692859583
Energy: 0.5666410764834426
Energy: 0.5335336934508913
Energy: 0.5753646676669678
Energy: 0.576590372644239
Energy: 0.6508399236265642
Energy: 0.5151595100166313
Energy: 0.5229278277404538
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Energy: 0.512401738902652
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Energy: 0.6273206581651293
Energy: 0.51772181672389
Energy: 0.5428204613973342
Energy: 0.5411559755982696
Energy: 0.5139254324795186
Energy: 0.5411450396654984
Energy: 0.6262878132400773
Energy: 0.616625625258425
Energy: 0.6148236750438434
Energy: 0.533893599274723
Energy: 0.619913997284559
Energy: 0.6145191996254677
Energy: 0.6292948423122491
Energy: 0.537655616875053
Energy: 0.5563775190358979
Energy: 0.5869005764136977
Energy: 0.5421073659452901
Energy: 0.5361478960521157
Energy: 0.7773001665984539
Energy: 0.6168350109738018
Energy: 0.6151628463981822
Energy: 0.5748841352330915
Energy: 0.580441817215629
Energy: 0.6153455815734081
Energy: 0.8610076284635894
Energy: 0.5859212713018643
Energy: 0.5393938995336642
Energy: 0.7472899531800362
Energy: 0.588610806919709
Energy: 0.5249501081440613
Energy: 0.9841715173563863
Energy: 0.5732682421016103
Energy: 0.6158472277507765
Energy: 0.5402758504514074
Energy: 0.5745820498353963
Energy: 0.6158771993046068
Energy: 0.7800905287208596
Energy: 0.534397282980172
Energy: 0.5825869842005714
Energy: 0.5251464431265954
Energy: 0.5342487934491743
Energy: 0.579675385308979
Energy: 0.7050889994018226
Energy: 0.6464373960643606
Energy: 0.5375910526604541
Energy: 0.6569962312290104
Energy: 0.6235608136060771
Energy: 0.5383358078017225
Energy: 0.7775171382284419
Energy: 0.5788869889522197
Energy: 0.5765334589864983
Energy: 0.5683604403475276
Energy: 0.6164139503613226
Energy: 0.5676869505104107
Energy: 0.7451904448375308
Energy: 0.5448857600906124
Energy: 0.525868511151529
Energy: 0.7919663071483518
Energy: 0.5415463928867292
Energy: 0.6189851586076651
Energy: 0.5259137385820879
Energy: 0.579941712887755
Energy: 0.5693760362021895
Energy: 0.5278015585904899
Energy: 0.5790469870882649
Energy: 0.5675435665194318
Energy: 0.5337204547452448
Energy: 0.529648329186785
Energy: 0.5249890141090359
Energy: 0.5337328947547704
Energy: 0.5276343806058836
Energy: 0.5312373849810456
Energy: 0.6239129095461131
Energy: 0.5269162467118258
Energy: 0.5434357767875232
Energy: 0.5983894792579874
Energy: 0.526360250306538
Energy: 0.5314175478566605
Energy: 0.5939722936620347
Energy: 0.5257646475056645
Energy: 0.5289237379950077
Energy: 0.5263293557781565
Energy: 0.5415144522316477
Energy: 0.5096279773349999

minimum gb energy = 0.5096279773349999 eV
minimum distance =  2.384127310016 Angstroms
sigma value = 41


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

Energy: 1.123323285155759
Energy: 0.5897995532779526
Energy: 0.5995499542326561
Energy: 0.6469207259283672
Energy: 0.5863256638437524
Energy: 0.6469070757737749
Energy: 0.565018771813132
Energy: 0.5725783085730431
Energy: 0.5621295090038021
Energy: 0.5657953563488112
Energy: 0.5660349745516435
Energy: 0.5613112664871792
Energy: 0.5674052496801312
Energy: 0.5627711915777045
Energy: 0.5623514648990441
Energy: 0.5664077966149033
Energy: 0.5672914259703824
Energy: 0.5615572345736506
Energy: 0.5671165431728495
Energy: 0.5717999830151981
Energy: 0.5625683415044861
Energy: 0.568346970307516
Energy: 0.5659026709005597
Energy: 0.5664187487687922
Energy: 0.5648752813678684
Energy: 0.5828111366856967
Energy: 0.574112139106966
Energy: 0.5797627360483757
Energy: 0.5625940847637129
Energy: 0.5628423620455236
Energy: 0.6255754079172767
Energy: 0.5726231673263904
Energy: 0.5728740395293315
Energy: 0.5792796548963169
Energy: 0.5695494668319061
Energy: 0.5686525883223595
Energy: 0.6286999768713328
Energy: 0.5663582618226154
Energy: 0.5683081772253991
Energy: 0.5665017565407313
Energy: 0.5800031430137128
Energy: 0.5638815272042269
Energy: 0.5879946487103438
Energy: 0.5983707218168874
Energy: 0.5983907248393969
Energy: 0.5416786716274182
Energy: 0.5980869050830234
Energy: 0.5583434026673219
Energy: 0.6283930736247397
Energy: 0.5629599059593196
Energy: 0.5620647754292362
Energy: 0.5807136511642103
Energy: 0.5657907569919147
Energy: 0.5622324962030664
Energy: 0.830659267030885
Energy: 0.5676071978771043
Energy: 0.5653245814858674
Energy: 0.7306756090649104
Energy: 0.5837570306782036
Energy: 0.5719733287129408
Energy: 0.6286298572552547
Energy: 0.5674383357114786
Energy: 0.5615165808513909
Energy: 0.5673166156585323
Energy: 0.5794946991101882
Energy: 0.5620653957836567
Energy: 0.6801558167771323
Energy: 0.541681063566653
Energy: 0.5414020967091944
Energy: 0.5829581242971031
Energy: 0.5414529527423189
Energy: 0.572406213839477
Energy: 0.5671586139153688
Energy: 0.5409569811498522
Energy: 0.5412834606563314
Energy: 0.5833435703322108
Energy: 0.5411560772356915
Energy: 0.5420127350150706
Energy: 0.5684165700064244
Energy: 0.5797237082549952
Energy: 0.5622378453112198
Energy: 0.5669757223650207
Energy: 0.5802680155940871
Energy: 0.562137586506186
Energy: 0.5996373502977018
Energy: 0.5698033734695093
Energy: 0.5949434701869424
Energy: 0.599780196388852
Energy: 0.5718857575294506
Energy: 0.5949922410589196
Energy: 0.5653130164828377
Energy: 0.5809308895123814
Energy: 0.5627523211600758
Energy: 0.5801846981691656
Energy: 0.5659814668593498
Energy: 0.5633738465956759
Energy: 1.0728159458376838
Energy: 0.5672712710480321
Energy: 0.5765775522907968
Energy: 0.5908907548416925
Energy: 0.572969875585323
Energy: 0.5417250953614522
Energy: 0.5879423074921584
Energy: 0.5671540342452528
Energy: 0.5675341407445541
Energy: 0.5393711690971121
Energy: 0.5786905624177381
Energy: 0.5418979929405598
Energy: 0.5672416706802151
Energy: 0.567963875321643
Energy: 0.5634136320937776
Energy: 0.5677611516822871
Energy: 0.5664458655035085
Energy: 0.5634735822407513
Energy: 0.5657216154159884
Energy: 0.5663399443197171
Energy: 0.562421583036268
Energy: 0.5662998688421167
Energy: 0.5678254867209392
Energy: 0.5640784249602442
Energy: 0.5650593072374841
Energy: 0.563333193317354
Energy: 0.561102841019194
Energy: 0.5655903026436311
Energy: 0.5664304860099366
Energy: 0.5612372869570845
Energy: 0.73030978148304
Energy: 0.5945243391306434
Energy: 0.6167671868807268
Energy: 0.9087088655571488
Energy: 0.5953592133130079
Energy: 0.5765113626447362
Energy: 0.6284349291859561
Energy: 0.5628849165018422
Energy: 0.5627281537000188
Energy: 0.5836762529208327
Energy: 0.5659276180358159
Energy: 0.5619817711666036
Energy: 0.5879160512175424
Energy: 0.600067496979025
Energy: 0.5677845433435689
Energy: 0.5418459424569022
Energy: 0.6006647041315238
Energy: 0.5449310308981355
Energy: 0.6288919249029985
Energy: 0.5661984112993089
Energy: 0.5642781725421203
Energy: 0.5807164451215137
Energy: 0.5681460728452333
Energy: 0.5626975937620537
Energy: 0.6287078399214804
Energy: 0.5672983203057641
Energy: 0.5668575733037101
Energy: 0.5671254644549362
Energy: 0.5831464834440105
Energy: 0.5613026518953438
Energy: 0.8304319952398853
Energy: 0.5670655331253323
Energy: 0.5729121388053734
Energy: 0.5681014420719701
Energy: 0.5841585905015071
Energy: 0.5707833427577201
Energy: 0.6256425530885464
Energy: 0.5573467481402552
Energy: 0.5738715885071684
Energy: 0.5792172747197599
Energy: 0.5660206247982629
Energy: 0.571491742368444
Energy: 0.5677234657247082
Energy: 0.5415547172862507
Energy: 0.5416844458376993
Energy: 0.5822578296540385
Energy: 0.5418868660893068
Energy: 0.5423052127074176
Energy: 0.5677731872800957
Energy: 0.5688761301761421
Energy: 0.5664141853892455
Energy: 0.5646465980481551
Energy: 0.578205799745196
Energy: 0.5668825709199967
Energy: 0.5681420675331861
Energy: 0.562358295861148
Energy: 0.5609722642905212
Energy: 0.568271082001844
Energy: 0.5676514421424831
Energy: 0.5625452407927857
Energy: 0.5659148468057222
Energy: 0.5670183318777965
Energy: 0.5612985667903398
Energy: 0.569984210235689
Energy: 0.5666327421396334
Energy: 0.5666855109336085
Energy: 1.0721710500400596
Energy: 0.5661935478290085
Energy: 0.5583150624881287
Energy: 0.5507831177101299
Energy: 0.5810714103334773
Energy: 0.5583285207060579

minimum gb energy = 0.5393711690971121 eV
minimum distance =  2.3874431666478 Angstroms
sigma value = 33


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

Energy: 0.7579510424999262
Energy: 0.6775630568305103
Energy: 0.6078055542931339
Energy: 0.6038604878106845
Energy: 0.6587359942167177
Energy: 0.6078307367226775
Energy: 0.6164581309025947
Energy: 0.5987095490086562
Energy: 0.597628379894749
Energy: 0.6132318486437984
Energy: 0.6146597583952054
Energy: 0.599052964809112
Energy: 0.6171048713724169
Energy: 0.5996150736106088
Energy: 0.6000546960757396
Energy: 0.5998216164144461
Energy: 0.5995619065302223
Energy: 0.6004820710339004
Energy: 0.6263865933303586
Energy: 0.6007071711403241
Energy: 0.604624632697484
Energy: 0.614398065974307
Energy: 0.6001862242319533
Energy: 0.6033607196878076
Energy: 0.615765461453573
Energy: 0.6019840500852213
Energy: 0.5835997326491135
Energy: 0.6163114407389589
Energy: 0.6179736831202819
Energy: 0.6132530313118375
Energy: 0.6496375605681118
Energy: 0.6043174139112212
Energy: 0.6039039494043353
Energy: 0.6585584457604508
Energy: 0.6027883690925275
Energy: 0.6053809655370312
Energy: 0.6502255147739533
Energy: 0.6008155502958031
Energy: 0.6171337309887979
Energy: 0.6184171626771133
Energy: 0.6349544156583118
Energy: 0.6016804778858942
Energy: 0.646957660768241
Energy: 0.6253785297337267
Energy: 0.6029839720658758
Energy: 0.5835794451594566
Energy: 0.652479779600627
Energy: 0.603904520402774
Energy: 0.6493224582112193
Energy: 0.5830331013063111
Energy: 0.5829405321389768
Energy: 0.5837666613666491
Energy: 0.5843477928718349
Energy: 0.5867269055954798
Energy: 0.7020044170363364
Energy: 0.5982308997051083
Energy: 0.5983916300437371
Energy: 0.5991278001922934
Energy: 0.600217479923707
Energy: 0.6044588341877483
Energy: 0.6493098207851541
Energy: 0.6003346096984
Energy: 0.6015770812092848
Energy: 0.6141355036982304
Energy: 0.5851965079130422
Energy: 0.601792680514705
Energy: 0.6522621739029772
Energy: 0.5816632297792236
Energy: 0.5818278167541333
Energy: 0.6351701190600085
Energy: 0.5903610819335682
Energy: 0.5819576846131438
Energy: 0.6575205545889826
Energy: 0.5819942950051121
Energy: 0.5821925542721651
Energy: 0.5857800733549814
Energy: 0.5824251154278668
Energy: 0.5816781972820582
Energy: 0.6202274252043117
Energy: 0.6015583231012978
Energy: 0.6009150591320459
Energy: 0.6199645200708715
Energy: 0.6173420182954228
Energy: 0.6013076628445502
Energy: 0.581428537662482
Energy: 0.5992139438469027
Energy: 0.5986638068038629
Energy: 0.5994141705396998
Energy: 0.5990768566179369
Energy: 0.599491229930343
Energy: 0.6164010338301428
Energy: 0.6127109477302672
Energy: 0.5988943957192517
Energy: 0.6188734990471627
Energy: 0.6167835343667534
Energy: 0.6001734641408358
Energy: 0.9815742343920278
Energy: 0.5850613822310503
Energy: 0.6039536076420955
Energy: 0.6017795802102944
Energy: 0.649004061930379
Energy: 0.6088938637825829
Energy: 0.6516637212381595
Energy: 0.5849958262061661
Energy: 0.5831840986341571
Energy: 0.6425099945195657
Energy: 0.5843282048655875
Energy: 0.5834112045377537
Energy: 0.6243645761723389
Energy: 0.5827115093251942
Energy: 0.5831025881468445
Energy: 0.5998182811211052
Energy: 0.5848526042180673
Energy: 0.6045308165331043
Energy: 0.5870323295001386
Energy: 0.5831584943779707
Energy: 0.5833135967663456
Energy: 0.5848470811566808
Energy: 0.5852261779071647
Energy: 0.6020225074964183
Energy: 0.5839465307518179
Energy: 0.5853054453816197
Energy: 0.5847904464176852
Energy: 0.584808057783602
Energy: 0.586019018169101
Energy: 0.5851843364816035
Energy: 0.6555628263539885
Energy: 0.6064641790824662
Energy: 0.5985756538564309
Energy: 0.6556653112754073
Energy: 0.6053720073537313
Energy: 0.6232891865770548
Energy: 0.6158794610497165
Energy: 0.6178701520398799
Energy: 0.5997581980127673
Energy: 0.6038362328545792
Energy: 0.6327063985684814
Energy: 0.5848050420437025
Energy: 0.649797562204538
Energy: 0.5977997226400625
Energy: 0.5829714940652102
Energy: 0.5823100225592751
Energy: 0.6488378128279023
Energy: 0.5831827281585567
Energy: 0.6474544153676605
Energy: 0.6171613677333232
Energy: 0.5980969337618485
Energy: 0.6134897526417582
Energy: 0.6118438055179986
Energy: 0.5977839734326751
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Energy: 0.6014790930664528
Energy: 0.6025387977030334
Energy: 0.6001930081694823
Energy: 0.6013723060211613
Energy: 0.597980948172343
Energy: 0.6171133609391573
Energy: 0.604208795119576
Energy: 0.6026220977942645
Energy: 0.6004647666636312
Energy: 0.6195653119443918
Energy: 0.6030184821349185
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Energy: 0.5855734533986737
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Energy: 0.6154210003163213
Energy: 0.5972939296857589
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Energy: 0.606238726015424
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Energy: 0.6069244111473058
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Energy: 0.7015881769496953
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Energy: 0.6029401971990597
Energy: 0.5998069495364233
Energy: 0.5837500116396085
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Energy: 0.650473203767961
Energy: 0.5900999175597003
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Energy: 0.6152926273019732
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Energy: 0.5995404393525958
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Energy: 0.6149966404046108
Energy: 0.5997702158450777
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Energy: 0.5994919608981327
Energy: 0.6266864586245309
Energy: 0.5984500104744751
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Energy: 0.9800631924502035
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Energy: 0.586007382970975
Energy: 0.6038110392040068
Energy: 0.7018095236678731
Energy: 0.5847740446187741
Energy: 0.5834973268390284
Energy: 0.6241837040285437
Energy: 0.5857225807400631
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Energy: 0.6216229731094594
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Energy: 0.5828128644281266
Energy: 0.5835175316465706
Energy: 0.58591701393232
Energy: 0.5835845367590348
Energy: 0.5856254418135715
Energy: 0.5833388704376268
Energy: 0.6539987281396032
Energy: 0.6065173454892251
Energy: 0.6233937189028307
Energy: 0.6533325521598733
Energy: 0.6064996543098409
Energy: 0.623634304116718
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Energy: 0.6167547156917285
Energy: 0.6018219691825276
Energy: 0.6231458676407804
Energy: 0.6121481627412114
Energy: 0.6019398145163815
Energy: 0.7050381877911888
Energy: 0.5846623496052266
Energy: 0.5827224585535686
Energy: 0.5822773652977739
Energy: 0.605790926568616
Energy: 0.581784250567917

minimum gb energy = 0.5812282532985332 eV
minimum distance =  2.39106786173775 Angstroms
sigma value = 67


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

Energy: 0.8899385872234125
Energy: 0.6702676640736343
Energy: 0.6496613354495333
Energy: 0.6623130124197598
Energy: 0.6701195363251884
Energy: 0.6484263642729574
Energy: 0.6654164849554386
Energy: 0.6328172152844976
Energy: 0.6323238619905951
Energy: 0.6325695506112665
Energy: 0.633924976392003
Energy: 0.6319766282928443
Energy: 0.6601436029837696
Energy: 0.6136541245987398
Energy: 0.6331581315664192
Energy: 0.633203788558517
Energy: 0.6108621086027934
Energy: 0.6330437095894728
Energy: 0.660256142790821
Energy: 0.6325506243181879
Energy: 0.6328458229102805
Energy: 0.6311773918363163
Energy: 0.6331607956995811
Energy: 0.6331608987068108
Energy: 0.6629393801973791
Energy: 0.6336088192513774
Energy: 0.6346084239903514
Energy: 0.6634651568055324
Energy: 0.6335967007925271
Energy: 0.6349347956650532
Energy: 0.6646063412579748
Energy: 0.6385196350443788
Energy: 0.6368994369602308
Energy: 0.6650037964847314
Energy: 0.6380350559478644
Energy: 0.6368566251606748
Energy: 0.7031136611020051
Energy: 0.6334358461051812
Energy: 0.6324889825563388
Energy: 0.6094253798061109
Energy: 0.6341409944430931
Energy: 0.6321903543285216

minimum gb energy = 0.6094253798061109 eV
minimum distance =  2.42536798103792 Angstroms
sigma value = 3


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

Energy: 1.010009675440142
Energy: 1.2137132041900232
Energy: 0.7362135934673806
Energy: 0.7127303721694711
Energy: 1.2138526745574616
Energy: 0.7245414661166848
Energy: 0.7101841329382685
Energy: 0.7325588577926209
Energy: 0.7272893023735179
Energy: 0.7399155598840643
Energy: 0.7545589285967131
Energy: 0.7149034720497883
Energy: 0.7677356003978182
Energy: 0.7243325432748248
Energy: 0.7242843494623286
Energy: 0.7672859916059755
Energy: 0.7230772961152702
Energy: 0.7170100824272027
Energy: 0.7152619960578883
Energy: 0.7121703045725178
Energy: 0.7134464406589845
Energy: 0.7161955519942879
Energy: 0.7254069155664361
Energy: 0.7135364435243726
Energy: 0.7265864719878483
Energy: 0.7038808478775282
Energy: 0.7037141091119858
Energy: 0.7143118738188947
Energy: 0.7050867018702256
Energy: 0.7056846544489767
Energy: 0.7130499417570956
Energy: 0.7076398542754235
Energy: 0.7068722311140129
Energy: 0.7135408569297143
Energy: 0.7154160524520106
Energy: 0.7069179008474886
Energy: 0.7151583788624739
Energy: 0.7181266268524363
Energy: 0.7287431998542276
Energy: 0.7096814934665625
Energy: 0.7296008571807625
Energy: 0.7204096336420577
Energy: 0.9871776963144269
Energy: 0.7469898006888479
Energy: 0.7672065520049609
Energy: 0.7090443627155708
Energy: 0.7553592888405526
Energy: 0.7656020807596733
Energy: 0.718989790683255
Energy: 0.706290215885399
Energy: 0.723758615403408
Energy: 0.7129245501770952
Energy: 0.704804802319613
Energy: 0.7345767732905766
Energy: 0.8135608304133966
Energy: 0.7064262946899057
Energy: 0.7061521879557283
Energy: 0.7621941849776012
Energy: 0.7064065529017952
Energy: 0.7345829190119146
Energy: 0.7353091624650948
Energy: 0.7119074740139039
Energy: 0.714378748462194
Energy: 0.7356000341512979
Energy: 0.7024392445736523
Energy: 0.7363650138556771
Energy: 0.7499215851451743
Energy: 0.7100963947197391
Energy: 0.7096226839231126
Energy: 0.7245068293019062
Energy: 0.7201699431105131
Energy: 0.7089249059241197
Energy: 0.7325026570165698
Energy: 0.7080726364180678
Energy: 0.7081149185527219
Energy: 0.7000565013268943
Energy: 0.7086162687444467
Energy: 0.7082609305337897
Energy: 0.760474745120312
Energy: 0.7123661665644019
Energy: 0.7095853305754264
Energy: 0.7384885587318645
Energy: 0.7092729447064644
Energy: 0.7084688583479295
Energy: 0.7646429416232755
Energy: 0.7114270490407475
Energy: 0.7638641997195578
Energy: 0.7194754978134683
Energy: 0.7098575818042542
Energy: 0.7123231791191249
Energy: 0.7472720961058568
Energy: 0.7412849430473157
Energy: 0.7354684890538785
Energy: 0.7461272151737809
Energy: 0.7397759909851164
Energy: 0.7385203787745158
Energy: 0.8252854934214718
Energy: 0.7206770702051111
Energy: 0.7233275948097251
Energy: 0.8260510861050925
Energy: 0.7222314105100734
Energy: 0.7276627325571555
Energy: 0.7510936394030012
Energy: 0.7400488564288998
Energy: 0.7239951690990285
Energy: 0.7326567154202834
Energy: 0.7110220407631294
Energy: 0.7157498492004092
Energy: 0.8339526968491793
Energy: 0.7122898111439075
Energy: 0.7131623672956283
Energy: 0.7470634627267279
Energy: 0.7944675474893566
Energy: 0.7086389962938211
Energy: 0.7967730958656958
Energy: 0.7134079631264709
Energy: 0.7129479345326397
Energy: 0.75247756757847
Energy: 0.7160118121575311
Energy: 0.709486795049523
Energy: 0.7225619732640334
Energy: 0.7153745274478651
Energy: 0.7145308972949896
Energy: 0.714918977865956
Energy: 0.715668087729321
Energy: 0.7321285297001251
Energy: 0.7234518811566008
Energy: 0.7184663326056023
Energy: 0.7142081919268811
Energy: 0.7262226507207389
Energy: 0.7137123155385839
Energy: 0.7117650298703324
Energy: 0.728738991536829
Energy: 0.7196635612494477
Energy: 0.7280513394894327
Energy: 0.7293328284337366
Energy: 0.7131732044038087
Energy: 0.726086165199317
Energy: 0.7280150114534109
Energy: 0.7089273199242995
Energy: 0.7095933375874881
Energy: 0.7282305082961662
Energy: 0.7089492251713485
Energy: 0.7290987139163937
Energy: 0.734378095038333
Energy: 0.7139592762944069
Energy: 0.7124927615281066
Energy: 0.708986471635568
Energy: 0.7390128306999801
Energy: 0.7129795783634814
Energy: 0.8505521514361452
Energy: 0.7073900489048497
Energy: 0.7077233369387286
Energy: 0.7205600217586842
Energy: 0.7078457592011277
Energy: 0.7299754763806916
Energy: 0.6959198310847061
Energy: 0.7302402962686318
Energy: 0.7389155521175907
Energy: 0.7406565028225057
Energy: 0.7074080360834369
Energy: 0.7262716260237321
Energy: 0.7316074843484052
Energy: 0.7122866967844481
Energy: 0.7136294477536558
Energy: 0.72556258339279
Energy: 0.7117270250150485
Energy: 0.7161398760370578
Energy: 0.727003844047621
Energy: 0.7234084564152734
Energy: 0.7232578462121564
Energy: 0.7273546035130187
Energy: 0.7261665011940153
Energy: 0.7285732210704273
Energy: 0.7277818091761556
Energy: 0.7244604212354935
Energy: 0.7279093463142471
Energy: 0.7295557477532212
Energy: 0.7217236463563828
Energy: 0.730741866341122
Energy: 0.7270806093483765
Energy: 0.7244023253569776
Energy: 0.722896153700228
Energy: 0.7283944862673565
Energy: 0.7275815185764949
Energy: 0.7249259739484337
Energy: 0.7369974681068749
Energy: 0.7222816231679092
Energy: 0.7218870244848624
Energy: 0.7331680567250134
Energy: 0.7231637942052757
Energy: 0.7235549702874547
Energy: 0.8375992115459608
Energy: 0.7326538284545596
Energy: 0.7293005821786093
Energy: 0.7086468400336038
Energy: 0.7626131289360509
Energy: 0.7221173804244166
Energy: 0.7703867420553732
Energy: 0.7086846440684235
Energy: 0.708231135162801
Energy: 0.7344817711291133
Energy: 0.7523352565815153
Energy: 0.7086522883051376
Energy: 0.7224897127280073
Energy: 0.7331665895502305
Energy: 0.7338436902908785
Energy: 0.7178986989589548
Energy: 0.7302239323219912
Energy: 0.7228216435270525
Energy: 0.7531416707071317
Energy: 0.7065412066312852
Energy: 0.7084128814319316
Energy: 0.7538928367277449
Energy: 0.7061712249280715
Energy: 0.7206818293582302
Energy: 0.7511631042965745
Energy: 0.7162052717928368
Energy: 0.7065723571866288
Energy: 0.7374614403074428
Energy: 0.7005864089469227
Energy: 0.707643888557993
Energy: 0.732485853918666
Energy: 0.7095753185301812
Energy: 0.7083322217398292
Energy: 0.7007490472899887
Energy: 0.7099686886196452
Energy: 0.7084062775835288
Energy: 0.7673886999261714
Energy: 0.7160337910848391
Energy: 0.7068023914532385
Energy: 0.7297285672730297
Energy: 0.7138097946088289
Energy: 0.7084228787257367
Energy: 0.7636520043327867
Energy: 0.7110195519114666
Energy: 0.7109899642723173
Energy: 0.7183348889390702
Energy: 0.7105338618546364
Energy: 0.711002612459368
Energy: 0.8130123790626366
Energy: 0.706992032179516
Energy: 0.7071948967573893
Energy: 0.7342247219674635
Energy: 0.7452082513486572
Energy: 0.7432433901946706
Energy: 0.8117620834582983
Energy: 0.7161652556259361
Energy: 0.7195448782201241
Energy: 0.7603512644159557
Energy: 0.7236088765143145
Energy: 0.7334413818574316
Energy: 0.8863379210285983
Energy: 0.7206918374182404
Energy: 0.7206725161822466
Energy: 0.8560268553813902
Energy: 0.7205918601780817
Energy: 0.7485596260920845
Energy: 0.7153637221165587
Energy: 0.740271727259543
Energy: 0.7399125025381816
Energy: 0.7144120094589135
Energy: 0.7430210706726113
Energy: 0.7439332152748618
Energy: 1.0470827636535
Energy: 0.7105173227795039
Energy: 0.7452943963596141
Energy: 0.7774075897954456
Energy: 0.7094557481538368
Energy: 0.7552998867168367
Energy: 0.7168474702616721
Energy: 0.713709172593474
Energy: 0.7147548923677021
Energy: 0.7145275522388136
Energy: 0.7144075210518603
Energy: 0.7129163192308882
Energy: 0.7092742584957332
Energy: 0.7126208248408539
Energy: 0.7110232022064646
Energy: 0.7111811835013134
Energy: 0.7121053670304712
Energy: 0.7099930001112463
Energy: 0.7070292791666544
Energy: 0.7196734081965036
Energy: 0.7136562591599267
Energy: 0.7096449069261399
Energy: 0.7081084902968158
Energy: 0.7104442444149859
Energy: 0.7072611669435181
Energy: 0.7501132609600463
Energy: 0.7086864407020099
Energy: 0.7077473214138374
Energy: 0.7164775573389167
Energy: 0.7091368447825052
Energy: 0.718496851754097
Energy: 0.7421438724181402
Energy: 0.7110641838833374
Energy: 0.718715587651728
Energy: 0.7074258935405536
Energy: 0.71801576782573
Energy: 0.7163883839907832
Energy: 0.7488158105904624
Energy: 0.7327102351142998
Energy: 0.728009484112847
Energy: 0.7353597020411703
Energy: 0.7191303773097171

minimum gb energy = 0.6959198310847061 eV
minimum distance =  2.36596448437459 Angstroms
sigma value = 81


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

Energy: 1.4069065054958791
Energy: 0.7358626622523087
Energy: 0.7108806690125119
Energy: 0.7029621004243821
Energy: 0.7357138235333456
Energy: 0.7149940298663731
Energy: 0.7154142622948145
Energy: 0.72353157646794
Energy: 0.7253096875356522
Energy: 0.7508460981724024
Energy: 0.7110256246728339
Energy: 0.7278446217310087
Energy: 0.7686213058718476
Energy: 0.7109772676329746
Energy: 0.7114416230094713
Energy: 0.7652422963340569
Energy: 0.7109741772265445
Energy: 0.7432546806507314
Energy: 0.7162889888023579
Energy: 0.7117146134342047
Energy: 0.7172769899154738
Energy: 0.7164782640771495
Energy: 0.7121034926502562
Energy: 0.7221910760991735
Energy: 0.7186219702838531
Energy: 0.715937325718146
Energy: 0.7158234706391072
Energy: 0.7174325712986714
Energy: 0.7234492298407406
Energy: 0.7185106200104497
Energy: 0.7163380463845908
Energy: 0.7234799230911243
Energy: 0.7212106600886546
Energy: 0.7204190906321467
Energy: 0.722260948741295
Energy: 0.7187568023977712
Energy: 0.7070446076799144
Energy: 0.7196796879237523
Energy: 0.7230933715296195
Energy: 0.7400577899199127
Energy: 0.7221663667399894
Energy: 0.7211424785885672
Energy: 0.8108755621298445
Energy: 0.7723780600974655
Energy: 0.7755851496631438
Energy: 0.6901162889004249
Energy: 0.8508238530048932
Energy: 0.7048441166290681
Energy: 0.7082660519612358
Energy: 0.7100670011253702
Energy: 0.7155923811702998
Energy: 0.7421616696789193
Energy: 0.6976434612876179
Energy: 0.7141937410674927
Energy: 0.7318114213439928
Energy: 0.6756413199118202
Energy: 0.6755514994710815
Energy: 0.7113374523001007
Energy: 0.6758724239575087
Energy: 0.6917845547210267
Energy: 0.6660883591117949
Energy: 0.6930618457232708
Energy: 0.6931938116682302
Energy: 0.7142615460253533
Energy: 0.6828086826976479
Energy: 0.7057443287403163
Energy: 0.7153671614005269
Energy: 0.715940139091139
Energy: 0.7177959851052296
Energy: 0.705205895563823
Energy: 0.7149791138773712
Energy: 0.7136366185025628
Energy: 0.7143707577448521
Energy: 0.743238257678662
Energy: 0.7342937393927049
Energy: 0.7124456104168173
Energy: 0.7412505423999893
Energy: 0.7098641008057466
Energy: 0.6640874118494631
Energy: 0.7322440167069504
Energy: 0.7331054792561851
Energy: 0.714767097996104
Energy: 0.7380393339329548
Energy: 0.7321995934652737
Energy: 0.8043116101360456
Energy: 0.7405090036155003
Energy: 0.6666348467361612
Energy: 0.6692059691699863
Energy: 0.7330790962131034
Energy: 0.6549075667479523
Energy: 0.662743997457448
Energy: 0.6534918827909936
Energy: 0.6661222350232867
Energy: 0.6645210853617941
Energy: 0.6552457072090918
Energy: 0.6663053656565513
Energy: 0.8086329918112597
Energy: 0.6896120277292158
Energy: 0.6893138329370626
Energy: 0.8087748772550692
Energy: 0.6896595027763465
Energy: 0.7178834010458103
Energy: 0.65225814976096
Energy: 0.6533911328546463
Energy: 0.6538579954936296
Energy: 0.6526420782237196
Energy: 0.7031941545980688
Energy: 0.6688454042229173
Energy: 0.7879388332543915
Energy: 0.6549094983501328
Energy: 0.6562980781972287
Energy: 0.6554559107810591
Energy: 0.6548295009919982
Energy: 0.6577407311555955
Energy: 0.8271709608959948
Energy: 0.6545398859342193
Energy: 0.6551605196304452
Energy: 0.6551967801703423
Energy: 0.653527932331193
Energy: 0.6560624217135228
Energy: 0.6523254907420053
Energy: 0.6532589020734401
Energy: 0.6684081348521661
Energy: 0.6528355867482663
Energy: 0.6530478785635074
Energy: 0.6721507101193785
Energy: 0.7377349651371151
Energy: 0.6882011675535147
Energy: 0.7317484787784413
Energy: 0.7391886126473781
Energy: 0.6886512102332082
Energy: 0.7311811765433754
Energy: 0.6645306103068505
Energy: 0.6566085380397738
Energy: 0.671969690939322
Energy: 0.666248472372084
Energy: 0.6536638546620961
Energy: 0.6686705621741639
Energy: 0.7490372236609975
Energy: 0.7336633096814967
Energy: 0.654538626681182
Energy: 0.6560513617360741
Energy: 0.7395234887047185
Energy: 0.6546296420506967
Energy: 0.6676662272329599
Energy: 0.7375435717276502
Energy: 0.735651421635134
Energy: 0.7213351661593506
Energy: 0.734641807697299
Energy: 0.7356517147328014
Energy: 0.8079232804769255
Energy: 0.7781625491942006
Energy: 0.7008866454398643
Energy: 0.7053485386515727
Energy: 0.75505885253184
Energy: 0.769704303166092
Energy: 0.8099453328191918
Energy: 0.7678703886864171
Energy: 0.7695506700265854
Energy: 0.6975922376634083
Energy: 0.7719946388582847
Energy: 0.71229793911118
Energy: 0.6658841399863277
Energy: 0.6936725873752614
Energy: 0.7071262921653116
Energy: 0.7062733437950223
Energy: 0.6878362628813026
Energy: 0.707150600017198
Energy: 0.7992528160332352
Energy: 0.6753920117274387
Energy: 0.6757302113588978
Energy: 0.7102768738736904
Energy: 0.6755181732246143
Energy: 0.6916511584966607
Energy: 0.7135319740233647
Energy: 0.6968090491192966
Energy: 0.711220494481486
Energy: 0.7060107312834654
Energy: 0.6978741085951705
Energy: 0.7157253359850781
Energy: 0.715056987961515
Energy: 0.7519567622015724
Energy: 0.7178105529675762
Energy: 0.6874414733797274
Energy: 0.7514708585980172
Energy: 0.6884595182683381
Energy: 0.7134190972136889
Energy: 0.7118012659228456
Energy: 0.7197630468876942
Energy: 0.7072788836044708
Energy: 0.7111117163814632
Energy: 0.713888097868621
Energy: 0.7983146194756052
Energy: 0.7188327222694841
Energy: 0.7178548569608403
Energy: 0.7273272955130008
Energy: 0.7139358034340489
Energy: 0.7212130717996034
Energy: 0.722843434209741
Energy: 0.7154726238656347
Energy: 0.7166662983259676
Energy: 0.7361880643118937
Energy: 0.7185345151955828
Energy: 0.725116076851054
Energy: 0.7925541918403012
Energy: 0.7256964961188472
Energy: 0.72596632397274
Energy: 0.7287775245982592
Energy: 0.7057044343665974
Energy: 0.7310214035482511
Energy: 0.8015432315655906
Energy: 0.6896098456498343
Energy: 0.6899885429333942
Energy: 0.8016753575915578
Energy: 0.6896114005405877
Energy: 0.7832186461655076
Energy: 0.715574533879019
Energy: 0.7236951460175498
Energy: 0.7249536336140471
Energy: 0.7224323762887106
Energy: 0.710078893996571
Energy: 0.7250883128725428
Energy: 0.8081650877781906
Energy: 0.6678391395605069
Energy: 0.7041298759759714
Energy: 0.7019308640687105
Energy: 0.6597250508194937
Energy: 0.7048309791675017

minimum gb energy = 0.65225814976096 eV
minimum distance =  2.38927158014674 Angstroms
sigma value = 43


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

Energy: 1.2624604718775425
Energy: 0.8248493075516905
Energy: 0.7501903976270082
Energy: 0.6988095119413046
Energy: 0.8002555682886545
Energy: 0.6980917280687499
Energy: 0.6839894754578594
Energy: 0.7006312718123625
Energy: 0.6891657697713421
Energy: 0.724939680550299
Energy: 0.6820046777851823
Energy: 0.6878744313249504
Energy: 0.682526178291474
Energy: 0.6706291062933446
Energy: 0.6702072937290342
Energy: 0.7183783707501804
Energy: 0.6706502285375656
Energy: 0.6839905258989813
Energy: 0.6840135820475425
Energy: 0.6697908363797856
Energy: 0.688786980262611
Energy: 0.6840310762956364
Energy: 0.6752029125693493
Energy: 0.6842382193899059
Energy: 0.6826526594684467
Energy: 0.6953721345488282
Energy: 0.6916492914061908
Energy: 0.6825818747366352
Energy: 0.6889687541086436
Energy: 0.690773026967391
Energy: 0.6829624844615523
Energy: 0.6887192908601386
Energy: 0.6889202564714769
Energy: 0.6889098660584383
Energy: 0.6895834636883291
Energy: 0.6891759478102126
Energy: 0.683754437747723
Energy: 0.6839298554631764
Energy: 0.6905830244465658
Energy: 0.6883103325642554
Energy: 0.6838570448127227
Energy: 0.6904585381590734
Energy: 0.7735558980751946
Energy: 0.6823263067456713
Energy: 0.6824094976557874
Energy: 0.7014208627191012
Energy: 0.6830298180982819
Energy: 0.6829978587535864
Energy: 0.679033290446902
Energy: 0.682790236805332
Energy: 0.6823152040811488
Energy: 0.6789424595951575
Energy: 0.7251626577243142
Energy: 0.6903873138163149
Energy: 0.8202865475321617
Energy: 0.687348521732788
Energy: 0.6868353852902669
Energy: 0.7632364411343013
Energy: 0.688106266625754
Energy: 0.689898287237544
Energy: 0.6938649894385287
Energy: 0.6954975937227491
Energy: 0.7112655188593703
Energy: 0.6780496132153735
Energy: 0.6822541918467566
Energy: 0.6867040269160567
Energy: 0.6876764377912107
Energy: 0.6847780768833166
Energy: 0.6848724043733783
Energy: 0.6938450827140936
Energy: 0.6847897540735087
Energy: 0.6849664385062295
Energy: 0.8034695377420799
Energy: 0.68566348504733
Energy: 0.6945921188116067
Energy: 0.6733941753477007
Energy: 0.6842922726095352
Energy: 0.6947482077645808
Energy: 0.6927692137919962
Energy: 0.6904832609547703
Energy: 0.6901703505818904
Energy: 0.6813091317802574
Energy: 0.6838857057586986
Energy: 0.6900581443231081
Energy: 0.6951012833864146
Energy: 0.6959120632772567
Energy: 0.7116281484659285
Energy: 0.7031053687159925
Energy: 0.6870338623171739
Energy: 0.7117603437212459
Energy: 0.6919402726847599
Energy: 0.6904750012123563
Energy: 0.7084762322544306
Energy: 0.6917864753350503
Energy: 0.6938286465140533
Energy: 0.6911795220693203
Energy: 0.6898623887306652
Energy: 0.7042449180352646
Energy: 0.704497730024541
Energy: 0.6899346648615143
Energy: 0.7108450436617327
Energy: 0.706338632192428
Energy: 0.6896249222977933
Energy: 0.6961104938848984
Energy: 0.7058923771247457
Energy: 0.7081216356322534
Energy: 0.6965717387708145
Energy: 0.7079390890640345
Energy: 0.6931780593909241
Energy: 0.6919732419041215
Energy: 0.7011570677418534
Energy: 0.6933537393965671
Energy: 0.6919835191365765
Energy: 0.6857760115437453
Energy: 0.7891896107467702
Energy: 0.7010740626293205
Energy: 0.7015101785371499
Energy: 0.6946699739432062
Energy: 0.7015258214055623
Energy: 0.6849514787922506
Energy: 0.6895461157471164
Energy: 0.6963699496267267
Energy: 0.6962569026908386
Energy: 0.7038854286277314
Energy: 0.6904362565942099
Energy: 0.6962245074229962
Energy: 0.7734808216951642
Energy: 0.6994399777852076
Energy: 0.6974349010056458
Energy: 0.7738459568265936
Energy: 0.6784185794412919
Energy: 0.7773362224004167
Energy: 0.6965001539392931
Energy: 0.6968470696847703
Energy: 0.6961781697878123
Energy: 0.7045254356550759
Energy: 0.7069691879183395
Energy: 0.7077859990125276
Energy: 0.7472166843358895
Energy: 0.7011203198458474
Energy: 0.7014644881072463
Energy: 0.7308829121280371
Energy: 0.6917344947577929
Energy: 0.7056904678384156
Energy: 0.697897981043126
Energy: 0.6915403197205751
Energy: 0.7013378524568907
Energy: 0.6967746943856106
Energy: 0.6910141801245628
Energy: 0.7011904799482135
Energy: 0.7202319715303467
Energy: 0.7018315413192315
Energy: 0.7046827270909662
Energy: 0.7102095083929941
Energy: 0.6922849952167467
Energy: 0.7098227973918261
Energy: 0.7205961638319263
Energy: 0.7047763500427939
Energy: 0.7051617972916503
Energy: 0.6917460077059253
Energy: 0.7021335757482069
Energy: 0.710072683694336
Energy: 0.7292602554134334
Energy: 0.6912852188236949
Energy: 0.6908755425244582
Energy: 0.6835758851917734
Energy: 0.6951971642809922
Energy: 0.6894827906591577
Energy: 0.6840002895599412
Energy: 0.6852284007897419
Energy: 0.6848830899885066
Energy: 0.6838603554421254
Energy: 0.7015850989350537
Energy: 0.6847190176897581
Energy: 0.6833955789994158
Energy: 0.6912073623252049
Energy: 0.6906957388154954
Energy: 0.7240784089348711
Energy: 0.6823243334398342
Energy: 0.6881672882901033
Energy: 0.684866162842414
Energy: 0.73104675133409
Energy: 0.7059178494198763
Energy: 0.6985563754474052
Energy: 0.7311361106416965
Energy: 0.7066488250167117

minimum gb energy = 0.6697908363797856 eV
minimum distance =  2.36846610866688 Angstroms
sigma value = 57


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

Energy: 0.9666380831217475
Energy: 0.7913091491664103
Energy: 0.7028175998046
Energy: 0.6686223545515828
Energy: 0.790679730423776
Energy: 0.7025998811462806
Energy: 0.6927827485199477
Energy: 0.704510906538938
Energy: 0.6768653829425653
Energy: 0.7075564760056909
Energy: 0.7069967153101625
Energy: 0.6836722512352379
Energy: 0.6766217167431028
Energy: 0.6524967651455994
Energy: 0.651441427863085
Energy: 0.692986618771257
Energy: 0.6536994333834132
Energy: 0.649690209410458
Energy: 0.6954490192533892
Energy: 0.6779759246710654
Energy: 0.6513062270205469
Energy: 0.696056242204533
Energy: 0.650769455814991
Energy: 0.6823105870065184
Energy: 0.6951000356247111
Energy: 0.6739408838423192
Energy: 0.6720150734874792
Energy: 0.6775269614481021
Energy: 0.6809799485606045
Energy: 0.6761782237931129
Energy: 0.6522920745364156
Energy: 0.6711570856874726
Energy: 0.676249801918181
Energy: 0.6751125797024193
Energy: 0.6803767861945577
Energy: 0.6769383149996583
Energy: 0.7063995755956561
Energy: 0.6970402635782149
Energy: 0.6830553157093605
Energy: 0.6901476621683403
Energy: 0.6967889267580378
Energy: 0.6818190945996779
Energy: 0.702626898790198
Energy: 0.6829363277904026
Energy: 0.6744594405025157
Energy: 0.6826180844033256
Energy: 0.6829201214185291
Energy: 0.6953636662177941
Energy: 0.7036175163825299
Energy: 0.6938322888196409
Energy: 0.6919296126468449
Energy: 0.7063372265747677
Energy: 0.7023762273668034
Energy: 0.6849797422404218
Energy: 0.8360999913314134
Energy: 0.6905803448503016
Energy: 0.6943235199941122
Energy: 0.7159199993012918
Energy: 0.6782050189215518
Energy: 0.6944329543053469
Energy: 0.680985894058084
Energy: 0.6764768924736115
Energy: 0.6817036336120528
Energy: 0.7083944033530932
Energy: 0.6890831383510557
Energy: 0.7074692878854167
Energy: 0.6625010673870517
Energy: 0.6933832806934122
Energy: 0.7050419268835563
Energy: 0.6644104601301243
Energy: 0.7027219454091268
Energy: 0.7068150117125732
Energy: 0.6622054468132048
Energy: 0.6935649536113566
Energy: 0.7223134082863774
Energy: 0.649759390613733
Energy: 0.6942647165051209
Energy: 0.7241806798666162
Energy: 0.686551390772729
Energy: 0.684942463251661
Energy: 0.6858057381966637
Energy: 0.7066135573123202
Energy: 0.7075318676428681
Energy: 0.6838740177150273
Energy: 0.6800729834076885
Energy: 0.6621015431158501
Energy: 0.6628452300065348
Energy: 0.6981440320379304
Energy: 0.6559025336490903
Energy: 0.6625308403660803
Energy: 0.6957957656150072
Energy: 0.6830848974008746
Energy: 0.6817407116943074
Energy: 0.696308105943098
Energy: 0.6759811688093801
Energy: 0.682409337629835
Energy: 0.6989551423885928
Energy: 0.6741950644657112
Energy: 0.6741647695654833
Energy: 0.6782907708303916
Energy: 0.6742022801166628
Energy: 0.6775735285394988
Energy: 0.6980073570020038
Energy: 0.6784523986820886
Energy: 0.6720802143569184
Energy: 0.6797933516505564
Energy: 0.6799486685824504
Energy: 0.6816932094588835
Energy: 0.7125372252321903
Energy: 0.6973787628137627
Energy: 0.7039458196404031
Energy: 0.6761306060095067
Energy: 0.6961118113404275
Energy: 0.7073619194853495
Energy: 0.7131422726288742
Energy: 0.6935412719511466
Energy: 0.7045937660369991
Energy: 0.6766061471544428
Energy: 0.6929875995985642
Energy: 0.7072278299214295
Energy: 0.6922196097601423
Energy: 0.7174177934986726
Energy: 0.6902835237519502
Energy: 0.707724120906606
Energy: 0.7047655971577605
Energy: 0.6815994939341596
Energy: 0.8273632478480256
Energy: 0.689494236251176
Energy: 0.6767220951069826
Energy: 0.6783226061283915
Energy: 0.6889589188116501
Energy: 0.6770684368366113
Energy: 0.6864880560187234
Energy: 0.7056440207333953
Energy: 0.6731370170323832
Energy: 0.706950249469697
Energy: 0.7077002145307456
Energy: 0.6872993565811821
Energy: 0.6622421466559949
Energy: 0.6938332289623782
Energy: 0.7221818007698849
Energy: 0.6747630126674592
Energy: 0.693440689650967
Energy: 0.7242457724002946

minimum gb energy = 0.649690209410458 eV
minimum distance =  2.35200890890262 Angstroms
sigma value = 17


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

Energy: 0.6277645526846319
Energy: 0.7107034294186734
Energy: 0.8078624001834992
Energy: 0.6594385929824359
Energy: 0.8109906682450724
Energy: 0.6837826815694951
Energy: 0.7585582609637341
Energy: 0.7239204270291171
Energy: 0.7183340046888358
Energy: 0.7340336065085574
Energy: 0.7246367729210995
Energy: 0.6734609578672351
Energy: 0.8973223771474103
Energy: 0.6329166983552669
Energy: 0.633062585252454
Energy: 0.7248541098503146
Energy: 0.632738971331568
Energy: 0.6455066964245573
Energy: 0.7342766485077337
Energy: 0.6326798659841648
Energy: 0.6471711473514311
Energy: 0.7353203828010022
Energy: 0.6464824878734902
Energy: 0.7168939935125925
Energy: 0.6481231610007687
Energy: 0.6334780974861873
Energy: 0.6260116310741516
Energy: 0.6491579548183508
Energy: 0.6332220710230148
Energy: 0.6319603754506441
Energy: 0.6502195179660536
Energy: 0.6324896171932832
Energy: 0.6256209663090196
Energy: 0.6099570581623205
Energy: 0.6433542743384112
Energy: 0.6205575095987665
Energy: 0.6448265409636069
Energy: 0.639948171413877
Energy: 0.6399073985222138
Energy: 0.6414537066109246
Energy: 0.6433041677624589
Energy: 0.6259830674334399
Energy: 0.6295518748832241
Energy: 0.6174761999852492
Energy: 0.6122527985690274
Energy: 0.6128749369751167
Energy: 0.6129996826362829
Energy: 0.6149673737588738
Energy: 0.6416323956266204
Energy: 0.6135832091193979
Energy: 0.6133557851796884
Energy: 0.6429882660544567
Energy: 0.6158871537883446
Energy: 0.6315514899430672
Energy: 0.6452016434123723
Energy: 0.6245658503807869
Energy: 0.6248759140001068
Energy: 0.6411799316421068
Energy: 0.6245306380218989
Energy: 0.6249193926271049
Energy: 0.6522638819197827
Energy: 0.6318034085816282
Energy: 0.6323083294056342
Energy: 0.6407979209833757
Energy: 0.7305156279180153
Energy: 0.6330279521408878
Energy: 0.6492611809756463
Energy: 0.7304113442136232
Energy: 0.7298380630391935
Energy: 0.6293034378618484
Energy: 0.7301597646795908
Energy: 0.722235329694142
Energy: 0.7294266987776692
Energy: 0.7106214311479947
Energy: 0.7136046691715229
Energy: 0.6268338476024259
Energy: 0.7129089757843462
Energy: 0.7125885413210814
Energy: 0.7352746112474342
Energy: 0.7248684132183855
Energy: 0.7186141942529114
Energy: 0.734839268479117
Energy: 0.7308135776408263
Energy: 0.6576151528840923
Energy: 0.6993716704696751
Energy: 0.7222644455777445
Energy: 0.7194621672816943
Energy: 0.7133147390871277
Energy: 0.7183352497291338
Energy: 0.7314737673881527
Energy: 0.8151754899909819
Energy: 0.731006253990713
Energy: 0.665671022300695
Energy: 0.7246541512425586
Energy: 0.7347729407013983
Energy: 0.7286899908186765
Energy: 0.721407674999066
Energy: 0.7187878745800883
Energy: 0.8016327950947032
Energy: 0.6424881711532591
Energy: 0.7249962107843557
Energy: 0.801834583081614

minimum gb energy = 0.6099570581623205 eV
minimum distance =  2.37676868165996 Angstroms
sigma value = 17


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

Energy: 1.1807264313948742
Energy: 0.8706796308791552
Energy: 0.6487785569501705
Energy: 0.6465696555003775
Energy: 0.7229169740940091
Energy: 0.6486023201266168
Energy: 0.7785357882670476
Energy: 0.7048334606597357
Energy: 0.596369473426225
Energy: 0.7136267932152182
Energy: 0.7019048865274553
Energy: 0.6493561222696698
Energy: 0.8541432995290038
Energy: 0.5740935450826667
Energy: 0.6040911523030608
Energy: 0.7209640237128414
Energy: 0.5745840142284139
Energy: 0.6078221952387197
Energy: 0.7169552904180635
Energy: 0.6344008848537893
Energy: 0.6289795911256009
Energy: 0.7180349247821214
Energy: 0.5787459777470441
Energy: 0.648557961623874
Energy: 0.6275392650868923
Energy: 0.6002299634181104
Energy: 0.5966979188731831
Energy: 0.6280401994676712
Energy: 0.6145904818348374
Energy: 0.5984918901180315
Energy: 0.6301109871284508
Energy: 0.5935131720107181
Energy: 0.5718478476157909
Energy: 0.5762205699973659
Energy: 0.6186395506351497
Energy: 0.572710911111903
Energy: 0.5796163386874954
Energy: 0.6186610295866668
Energy: 0.6185794821569502
Energy: 0.5663159409024285
Energy: 0.6218882469514487
Energy: 0.568569053696407
Energy: 0.580624633678451
Energy: 0.5596724387681028
Energy: 0.5654392891943191
Energy: 0.5687162367415584
Energy: 0.5592758670674489
Energy: 0.5651881787333365
Energy: 0.5813304207324889
Energy: 0.565326987383141
Energy: 0.5810881212887159
Energy: 0.5820688959816893
Energy: 0.5748758113557234
Energy: 0.5804181020004958
Energy: 0.5797509451139847
Energy: 0.5630950565183974
Energy: 0.563401032399604
Energy: 0.5799017684765163
Energy: 0.5627165277825229
Energy: 0.5632860291438757
Energy: 0.5900927842324086
Energy: 0.580965512286685
Energy: 0.5625970740134334
Energy: 0.5621016980244159
Energy: 0.5800456296964352
Energy: 0.5622286516491111
Energy: 0.5830485627861449
Energy: 0.5807808741291685
Energy: 0.5804498844946442
Energy: 0.5841342799961192
Energy: 0.58463044320004
Energy: 0.5817261405265759
Energy: 0.5926132834576406
Energy: 0.5651379338961361
Energy: 0.5645854237188533
Energy: 0.5657873741176793
Energy: 0.6067772630665604
Energy: 0.5655704917937102
Energy: 0.6196888487411005
Energy: 0.5684091326106286
Energy: 0.5683487915694626
Energy: 0.6212689146316225
Energy: 0.5666201337735742
Energy: 0.6187187988991155
Energy: 0.6186536024475047
Energy: 0.568128714617506
Energy: 0.5739399238691119
Energy: 0.6188713340650732
Energy: 0.5668600567686908
Energy: 0.5897361751034432
Energy: 0.7150037494704019
Energy: 0.6166073319219183
Energy: 0.5976387873734876
Energy: 0.6143000915850781
Energy: 0.6248590225544348
Energy: 0.6010399756592766
Energy: 0.580814795279841
Energy: 0.7142970529521822
Energy: 0.7144214359171264
Energy: 0.5782572089794116
Energy: 0.72006143111037
Energy: 0.5950302006131373
Energy: 0.6412422666935108
Energy: 0.6961994198435097
Energy: 0.7009360136154029
Energy: 0.6304655363038424
Energy: 0.6989956324447946
Energy: 0.5942968381386777
Energy: 0.7936916653802523
Energy: 0.714052798493875
Energy: 0.6495657519468905
Energy: 0.7145660996005406
Energy: 0.6241831236833408
Energy: 0.5967179247936795
Energy: 0.8577309070140693
Energy: 0.6123948476720819
Energy: 0.6119963881266393
Energy: 0.6971051205475143
Energy: 0.5997469836463757
Energy: 0.7017326975427796
Energy: 0.8505398298244878
Energy: 0.6602407845257936
Energy: 0.6829348265139545
Energy: 0.7152215752252807
Energy: 0.6974892381914249
Energy: 0.7007860578944008
Energy: 0.5896095981547884
Energy: 0.7087429833307065
Energy: 0.7783045888565568
Energy: 0.6283709009632265
Energy: 0.7020555511617432
Energy: 0.631128347294973
Energy: 0.5918917191711107
Energy: 0.7070801792744381
Energy: 0.7017520426524039
Energy: 0.5933165387751516
Energy: 0.6977032033029997
Energy: 0.6626617890248805
Energy: 0.8492724073073162
Energy: 0.6220854669487618
Energy: 0.70088522516374
Energy: 0.7153136859483598
Energy: 0.5772366699559398
Energy: 0.661470077768431
Energy: 0.7137820922361159
Energy: 0.5763641449595859
Energy: 0.6043730295846172
Energy: 0.7139570029032563
Energy: 0.5762797942402998
Energy: 0.6104859471402456
Energy: 0.6300180085920323
Energy: 0.5941802650934908
Energy: 0.5987090598288898
Energy: 0.6271222569677825
Energy: 0.6137204242840891
Energy: 0.6170207521665451
Energy: 0.5707480994495672
Energy: 0.6014291729665947
Energy: 0.6039336905463873
Energy: 0.5740157913256062
Energy: 0.5955141103236913
Energy: 0.5747872366776952
Energy: 0.5768147248187634
Energy: 0.625042616976737
Energy: 0.619027070298627
Energy: 0.5769913478163172
Energy: 0.6210281420689998
Energy: 0.6187428486090459
Energy: 0.5803741733860512
Energy: 0.5681242579061342
Energy: 0.5688005714847272
Energy: 0.5677218716121036
Energy: 0.618720552124082
Energy: 0.5687983476946536
Energy: 0.5800950237037524
Energy: 0.5587473738566059
Energy: 0.5654675878813826
Energy: 0.5803480721918249
Energy: 0.559294700884017
Energy: 0.5650291707575242
Energy: 0.58441516866287
Energy: 0.5644794719538919
Energy: 0.5646293275062135
Energy: 0.5855354257780782
Energy: 0.5599804738679737
Energy: 0.5748332994281736
Energy: 0.5808313371522922
Energy: 0.5646024285246932
Energy: 0.5645164729872328
Energy: 0.5721994769263486
Energy: 0.5608949415892412
Energy: 0.5644638001937043
Energy: 0.5882805444311918
Energy: 0.5853920037840906
Energy: 0.580543148135829
Energy: 0.5885179272863031
Energy: 0.5815454729653905
Energy: 0.580550678677378
Energy: 0.6330526992927543
Energy: 0.5713760001003407
Energy: 0.5678212639172063
Energy: 0.566220558541403
Energy: 0.5652802827523166
Energy: 0.5691540151583313
Energy: 0.6252715047596928
Energy: 0.5680498459385723
Energy: 0.5679643033838275
Energy: 0.6256751783658574
Energy: 0.568247882423776
Energy: 0.5688068434712193
Energy: 0.6263602101031952
Energy: 0.5668287367222625
Energy: 0.593857699823486
Energy: 0.6272537305350354
Energy: 0.5670332674885155
Energy: 0.6150354887317809
Energy: 0.7981699722183272
Energy: 0.5944273084953223
Energy: 0.5941926125645061
Energy: 0.6166362922909784
Energy: 0.6245551113842746
Energy: 0.5895767836230189
Energy: 0.5866158104758178
Energy: 0.7188422750336383
Energy: 0.7144267955682929
Energy: 0.6064486804697086
Energy: 0.7156382950947587
Energy: 0.6167802821122728
Energy: 0.6106915469019967
Energy: 0.6856755671699828
Energy: 0.6119708010812155
Energy: 0.5905442759306456
Energy: 0.6789219128234892
Energy: 0.6038500130653808
Energy: 0.618706479760508
Energy: 0.697771447432665
Energy: 0.6795423228704405
Energy: 0.6296916091070789
Energy: 0.7171730113333405
Energy: 0.6240237809008868
Energy: 0.7995832095941057
Energy: 0.5958746988758804
Energy: 0.6888756291062283
Energy: 0.7012193713124881
Energy: 0.5967545999546108
Energy: 0.6921875395104603
Energy: 0.8555520923508991
Energy: 0.6484117504075078
Energy: 0.5975901100997112
Energy: 0.7153365543018401
Energy: 0.628539606380827
Energy: 0.6813894470934395
Energy: 0.5932668252452327
Energy: 0.7064067485967833
Energy: 0.7013243126712022
Energy: 0.5910342674613882
Energy: 0.7144892863469731
Energy: 0.6623048915581812

minimum gb energy = 0.5587473738566059 eV
minimum distance =  2.37150109577613 Angstroms
sigma value = 57


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

Energy: 0.5397132532668755
Energy: 0.8787585675850041
Energy: 0.6179087851017203
Energy: 0.5520753003008343
Energy: 0.8965022427746833
Energy: 0.6183374910183744
Energy: 0.7629816272626816
Energy: 0.5655484316960908
Energy: 0.5669785247045327
Energy: 0.6533755637577865
Energy: 0.5701109722075228
Energy: 0.5652059303043948
Energy: 0.8059119828704645
Energy: 0.5423791763896274
Energy: 0.542657993214345
Energy: 0.6942169819982082
Energy: 0.5419914353916913
Energy: 0.5817733507230501
Energy: 0.6889214864506126
Energy: 0.5418758110955457
Energy: 0.6110926682600967
Energy: 0.5916979557339933
Energy: 0.5434003245195203
Energy: 0.6138870614002826
Energy: 0.5938977977601615
Energy: 0.5653651363877842
Energy: 0.5683562259851637
Energy: 0.5936713777329249
Energy: 0.5884915182441102
Energy: 0.5654787461967465
Energy: 0.5462114470528531
Energy: 0.5634492460914213
Energy: 0.5410032746382089
Energy: 0.5244249094519636
Energy: 0.599175804782683
Energy: 0.5418907406366249
Energy: 0.5533193518548626
Energy: 0.6053601841664493
Energy: 0.5991584257147593
Energy: 0.5315220762503221
Energy: 0.6043081570756202
Energy: 0.5361176890804359
Energy: 0.723857971978516
Energy: 0.5201635157112121
Energy: 0.5201029395217394
Energy: 0.5346042991745498
Energy: 0.5198772530794359
Energy: 0.5306892272291944
Energy: 0.5562770946813511
Energy: 0.5526044479973186
Energy: 0.5542085109055296
Energy: 0.557780194163862
Energy: 0.55971213546804
Energy: 0.5539629518599719
Energy: 0.5670583318218998
Energy: 0.5260353436481091
Energy: 0.5254847328172321
Energy: 0.553245382055024
Energy: 0.525406847004992
Energy: 0.5263040787530474
Energy: 0.5387247412273907
Energy: 0.53303290194821
Energy: 0.529851670694276
Energy: 0.5148249759108727
Energy: 0.5455986167264847
Energy: 0.5164663831095154
Energy: 0.5571199324893479
Energy: 0.5401891103017389
Energy: 0.5447934995798783
Energy: 0.5338205076770759
Energy: 0.5375004635663998
Energy: 0.519213386918259
Energy: 0.5333449411767646
Energy: 0.5689554775272901
Energy: 0.5234171183622484
Energy: 0.5220229057698406
Energy: 0.5738773886010383
Energy: 0.5231488900992719
Energy: 0.5341688972123247
Energy: 0.5187281003936393
Energy: 0.5342087875380888
Energy: 0.5353247579462747
Energy: 0.5388645771692971
Energy: 0.5445560489257992
Energy: 0.5326262068352801
Energy: 0.5180357804399889
Energy: 0.5173697260786952
Energy: 0.5329679233109338
Energy: 0.5196134312522177
Energy: 0.5172749322301874
Energy: 0.5655082839493069
Energy: 0.5650208975458203
Energy: 0.5234586727711833
Energy: 0.5243702763713494
Energy: 0.5628262501491855
Energy: 0.5222901865424094
Energy: 0.5347621531754112
Energy: 0.563054038337746
Energy: 0.553240558117322
Energy: 0.5243725011990711
Energy: 0.559656231982122
Energy: 0.5361786219646093
Energy: 0.5362735824906306
Energy: 0.5393764227185273
Energy: 0.5400961433711557
Energy: 0.5369232303949567
Energy: 0.5393968987184653
Energy: 0.5402564755147244
Energy: 0.5996988043698692
Energy: 0.5372453655426117
Energy: 0.5659681849569017
Energy: 0.6013595633183645
Energy: 0.5394395503638146
Energy: 0.5996868664741989
Energy: 0.6809308832154274
Energy: 0.5439616935225854
Energy: 0.5432613058690101
Energy: 0.5882676001005691
Energy: 0.5341411172896579
Energy: 0.5664233680649253
Energy: 0.7512795595303108
Energy: 0.590703945499814
Energy: 0.5899340977288834
Energy: 0.5882407333544413
Energy: 0.5898724102787505
Energy: 0.5664420083800641
Energy: 0.5338382063430834
Energy: 0.6990584775728272
Energy: 0.6000397169588146
Energy: 0.532536516219874
Energy: 0.6960198428493612
Energy: 0.5629869840664139
Energy: 0.5581566516495419
Energy: 0.6364775556481957
Energy: 0.6302890749719156
Energy: 0.5696578536883562
Energy: 0.6900389257672137
Energy: 0.6282941695236568
Energy: 0.7514330624791092
Energy: 0.5927783950263767
Energy: 0.5658944204496958
Energy: 0.5898331234361858
Energy: 0.5992116213084762
Energy: 0.5692977039015699
Energy: 0.8099182270995205
Energy: 0.5655964519154973
Energy: 0.5619857526813719
Energy: 0.6754426176233099
Energy: 0.5657234568551915
Energy: 0.6516274105137377
Energy: 0.801583155372079
Energy: 0.6321586428008019
Energy: 0.6331016075698255
Energy: 0.6907272583145104
Energy: 0.6533068691123468
Energy: 0.5630575318144264
Energy: 0.5383999284458713
Energy: 0.6715579248266376
Energy: 0.6097362853407254
Energy: 0.5442405433595896
Energy: 0.6765042270043418
Energy: 0.5823489263578903

minimum gb energy = 0.5148249759108727 eV
minimum distance =  2.38824838093198 Angstroms
sigma value = 43


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

Energy: 0.46305383701271796
Energy: 0.6471575517287732
Energy: 0.5499868986435982
Energy: 0.46785004169413275
Energy: 0.68916995274703
Energy: 0.5175128893154524
Energy: 0.6417777064734266
Energy: 0.48156651792215366
Energy: 0.4775153899400762
Energy: 0.5591443484073495
Energy: 0.5126204896831587
Energy: 0.47824169594332094
Energy: 0.6902307690971038
Energy: 0.45417069105896335
Energy: 0.47103274426226566
Energy: 0.5624030506661984
Energy: 0.45336925263365085
Energy: 0.4715964705679792
Energy: 0.6014320715272633
Energy: 0.47026371241883175
Energy: 0.4719088854278402
Energy: 0.5141382027873305
Energy: 0.5599536312956221
Energy: 0.530948365140411
Energy: 0.5322998064961689
Energy: 0.4817619640208005
Energy: 0.47693549335835084
Energy: 0.5051509784400127
Energy: 0.50430589065687
Energy: 0.4775255421260367
Energy: 0.4491773942530618
Energy: 0.5324216409112011
Energy: 0.4645473192188956
Energy: 0.46241744181907307
Energy: 0.5320030941594407
Energy: 0.4717580150125321
Energy: 0.6341619205801424
Energy: 0.5321848101817671
Energy: 0.5320608428446747
Energy: 0.4551960021293982
Energy: 0.5373370770801158
Energy: 0.45330633545754123
Energy: 0.6279910948425101
Energy: 0.43819805621771485
Energy: 0.4463915030491167
Energy: 0.454874122781515
Energy: 0.437358425642259
Energy: 0.4451737311557839
Energy: 0.4939123330488948
Energy: 0.4446394802975069
Energy: 0.4999635299807006
Energy: 0.4954289633224167
Energy: 0.4580117670940096
Energy: 0.49186374123631754
Energy: 0.4792379784724054
Energy: 0.44000583436165414
Energy: 0.44012981385971894
Energy: 0.4922993487351542
Energy: 0.4395035582620343
Energy: 0.439788751963781
Energy: 0.44551324762143313
Energy: 0.4676733478718111
Energy: 0.43777358135540234
Energy: 0.4520190731446983
Energy: 0.4677964782810741
Energy: 0.43515764171719645
Energy: 0.4961731809051603
Energy: 0.4676885255443469
Energy: 0.4677939102870699
Energy: 0.43671844459280984
Energy: 0.47406323635544273
Energy: 0.4430161634465754
Energy: 0.6017262123448538
Energy: 0.4662807254593694
Energy: 0.4715033449942644
Energy: 0.4705810805813124
Energy: 0.4644654264362256
Energy: 0.4719445446162005
Energy: 0.45378805500846786
Energy: 0.43489322181974005
Energy: 0.4536321226274784
Energy: 0.4549187626784587
Energy: 0.44731213871517816
Energy: 0.45375447385161727
Energy: 0.4534296467372137
Energy: 0.43129823706323694
Energy: 0.4308551675102828
Energy: 0.45350173412062045
Energy: 0.4317589664250354
Energy: 0.43040399725431644
Energy: 0.4483134765604067
Energy: 0.44703014591031887
Energy: 0.43262895902348586
Energy: 0.42902946377431533
Energy: 0.4471014661550234
Energy: 0.4283835135265539
Energy: 0.45643805181416
Energy: 0.4469737120790185
Energy: 0.44711800493559123
Energy: 0.4324378187260645
Energy: 0.4470689402263525
Energy: 0.43371725179237414
Energy: 0.4473512910147295
Energy: 0.43312046743354427
Energy: 0.4339613127471805
Energy: 0.44704356172383536
Energy: 0.4623290512837667
Energy: 0.4336904476194871
Energy: 0.4474370568337239
Energy: 0.4452088603086358
Energy: 0.4472623917125078
Energy: 0.44858531080328773
Energy: 0.5269403327466199
Energy: 0.4471374310841544
Energy: 0.44704080904385995
Energy: 0.4378753691896632
Energy: 0.43839231778478094
Energy: 0.4477704894447948
Energy: 0.4621918272044499
Energy: 0.4383613058183415
Energy: 0.4705687790217782
Energy: 0.4535629926636746
Energy: 0.4537010030737465
Energy: 0.45198922929082935
Energy: 0.453734883187305
Energy: 0.43833734296843363
Energy: 0.45097311352568886
Energy: 0.4536153025048312
Energy: 0.4491141407124249
Energy: 0.4311210030719131
Energy: 0.45385834992876717
Energy: 0.4311419728967184
Energy: 0.4676226757004391
Energy: 0.43408773670599726
Energy: 0.4338028404621208
Energy: 0.4676586344028842
Energy: 0.4337335340185876
Energy: 0.43376987752772667
Energy: 0.46783653318668567
Energy: 0.4434179622513215
Energy: 0.4677486789133546
Energy: 0.469183806693468
Energy: 0.4459478347879896
Energy: 0.4675492910127203
Energy: 0.6124149073966121
Energy: 0.45358809997048494
Energy: 0.46207411843355706
Energy: 0.48468533192169005
Energy: 0.4530465601885205
Energy: 0.4610113450757154
Energy: 0.5657248139118227
Energy: 0.49221238887951424
Energy: 0.4918453371437242
Energy: 0.43879544327111947
Energy: 0.49228763472560855
Energy: 0.44499177362468967
Energy: 0.4477079350921487
Energy: 0.4917991477850582
Energy: 0.45265811925071636
Energy: 0.4381645936992393
Energy: 0.49177313114704263
Energy: 0.44261512833451044
Energy: 0.5072197398560206
Energy: 0.4562308496334668
Energy: 0.45468333019315255
Energy: 0.4966928052594696
Energy: 0.4787310912744918
Energy: 0.45361826419806656
Energy: 0.5345247741250245
Energy: 0.45678006749711164
Energy: 0.5353868366993363
Energy: 0.5357628153209978
Energy: 0.45576955729042284
Energy: 0.532011598608838
Energy: 0.649530934112999
Energy: 0.44595343992670033
Energy: 0.4584013927120691
Energy: 0.5128433140432207
Energy: 0.4455950336099452
Energy: 0.4581162649028919
Energy: 0.6484340714255646
Energy: 0.5123965949718826
Energy: 0.512443353980737
Energy: 0.5126654314349164
Energy: 0.5123440620741417
Energy: 0.48076991795706664
Energy: 0.4552049331548144
Energy: 0.5653252265118817
Energy: 0.4844259288769413
Energy: 0.4543595589838939
Energy: 0.6005062366445914
Energy: 0.4719562110993266
Energy: 0.5968086688374128
Energy: 0.5286813303012011
Energy: 0.5157160960388297
Energy: 0.5156593362779192
Energy: 0.5598054253143796
Energy: 0.5161434545844658
Energy: 0.6502702781121812
Energy: 0.4872916609517995
Energy: 0.48711160734322123
Energy: 0.5141070003907917
Energy: 0.5643642727124871
Energy: 0.5588279044092932
Energy: 0.6910940754589072
Energy: 0.4689537374475819
Energy: 0.4913247911195636
Energy: 0.5618372609062846
Energy: 0.46866379176170314
Energy: 0.5198444742806808
Energy: 0.659088429394886
Energy: 0.5174039636925257
Energy: 0.5154586780771958
Energy: 0.6006723617630388
Energy: 0.5587055573618459
Energy: 0.4790716204372239

minimum gb energy = 0.4283835135265539 eV
minimum distance =  2.41350563810338 Angstroms
sigma value = 81


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

Energy: 0.0364636567450186
Energy: 0.26480422405693577
Energy: 0.03703348687018737
Energy: 0.03853490077504725
Energy: 0.11378269675237342
Energy: 0.03704386558345312
Energy: 0.06732827545473985
Energy: 0.03740070824606096
Energy: 0.037418415676095905
Energy: 0.06844886199315398
Energy: 0.03844388610868755
Energy: 0.03743531062798178
Energy: 0.06621619306681317
Energy: 0.03711543061699513
Energy: 0.037511603193558694
Energy: 0.0660926489424481
Energy: 0.037004911231130116
Energy: 0.06644880649844369
Energy: 0.03929245529173985
Energy: 0.03714083343744507
Energy: 0.03709723844626404
Energy: 0.04098760690870348
Energy: 0.037034742873418895
Energy: 0.06683355407319408
Energy: 0.06641448442505017
Energy: 0.06629190322477405
Energy: 0.06637662925955885
Energy: 0.06731341196514293
Energy: 0.06607227843638752
Energy: 0.06781019666061353
Energy: 0.037531125238798986
Energy: 0.03773487316174305
Energy: 0.03710614429750553
Energy: 0.038767479099295475
Energy: 0.03712867422753692
Energy: 0.03702787268501215
Energy: 0.0669130908038058
Energy: 0.03753263542073135
Energy: 0.037510615278629436
Energy: 0.06663075045323433
Energy: 0.03915786832737083
Energy: 0.03753553764807548
Energy: 0.06618877781926423
Energy: 0.03717238683689754
Energy: 0.03722325399328954
Energy: 0.06617731387765692
Energy: 0.036885244400563344
Energy: 0.06759930317990308
Energy: 0.03818990436141554
Energy: 0.037149447153458144
Energy: 0.0685958555105855
Energy: 0.039143248741738565
Energy: 0.03719332630750781
Energy: 0.06811097920849711
Energy: 0.03734380751304951
Energy: 0.06599342533717635
Energy: 0.06623119715552073
Energy: 0.03739962621260641
Energy: 0.06602069693180072
Energy: 0.06598521792302861

minimum gb energy = 0.0364636567450186 eV
minimum distance =  2.53118493983763 Angstroms
sigma value = 3


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

Energy: 0.5497278217344694
Energy: 0.5348207361626663
Energy: 0.5389692768579828
Energy: 0.5123427718028907
Energy: 0.5331493136591376
Energy: 0.5140449506549646
Energy: 0.5552565227994124
Energy: 0.539219088474194
Energy: 0.5415986158513183
Energy: 0.5386540689363405
Energy: 0.5419601934965547
Energy: 0.5418514557333973
Energy: 0.5535889976072534
Energy: 0.5158607329061796
Energy: 0.5158780670263251
Energy: 0.5360253694241656
Energy: 0.5128640013826865
Energy: 0.5324463199194115
Energy: 0.5192388289644689
Energy: 0.5161912966243661
Energy: 0.515804901127949
Energy: 0.5191416675930524
Energy: 0.466477078117181
Energy: 0.5329487216708063
Energy: 0.47572730950164893
Energy: 0.5436658460300601
Energy: 0.5426612984683379
Energy: 0.475913464497714
Energy: 0.5406893293174356
Energy: 0.5420382925114287
Energy: 0.5139752784666387
Energy: 0.540628116128714
Energy: 0.5259735030564558
Energy: 0.44083743461194436
Energy: 0.5409469220295208
Energy: 0.4990357428407406
Energy: 0.5211387153907892
Energy: 0.48321718424756277
Energy: 0.4841518670821892
Energy: 0.5210905250319426
Energy: 0.4868308631078963
Energy: 0.5284469695259839
Energy: 0.5190649972140194
Energy: 0.5067022082348849
Energy: 0.5071382147913315
Energy: 0.5191303424428835
Energy: 0.48429954050206137
Energy: 0.48930598979231965
Energy: 0.5323563729099314
Energy: 0.5076358688273727
Energy: 0.5321990246707023
Energy: 0.5349989998741591
Energy: 0.4468670488300073
Energy: 0.5322634415490572
Energy: 0.4921606105944637
Energy: 0.48207880415123416
Energy: 0.48158993792841237
Energy: 0.4925792817338289
Energy: 0.48702860193732045
Energy: 0.4954566925127284
Energy: 0.5094946907129484
Energy: 0.5132200933887763
Energy: 0.5140652581174578
Energy: 0.4321901411947371
Energy: 0.5152909906944236
Energy: 0.49099583416167064
Energy: 0.45145747171951106
Energy: 0.5171448206686327
Energy: 0.5184791666118276
Energy: 0.45123139413441044
Energy: 0.5157818672802211
Energy: 0.45114486110601765
Energy: 0.4526614363855766
Energy: 0.4809674310166859
Energy: 0.49602144521030783
Energy: 0.4526730496634995
Energy: 0.41887879245588144
Energy: 0.4744844689746757
Energy: 0.5067653745776866
Energy: 0.47469344924276835
Energy: 0.49809304297296253
Energy: 0.4543311583920185
Energy: 0.43387428078437124
Energy: 0.4976472674945915
Energy: 0.503332664617319
Energy: 0.43009504728733766
Energy: 0.42982306748240395
Energy: 0.501365265081362
Energy: 0.4351205754919961
Energy: 0.4301403433876552
Energy: 0.5009034064567955
Energy: 0.4872114217960393
Energy: 0.48706513066402807
Energy: 0.4842751700952211
Energy: 0.49786893707147706
Energy: 0.4868501556732266
Energy: 0.4253607213472988
Energy: 0.48673108048409974
Energy: 0.48527824161961175
Energy: 0.41909554608295496
Energy: 0.48809562603320095
Energy: 0.4188906180803572
Energy: 0.4199568746941877
Energy: 0.481449617217279
Energy: 0.4817388583427799
Energy: 0.41997273901064486
Energy: 0.42125309573842895
Energy: 0.4821255683362355
Energy: 0.4939484129234147
Energy: 0.4563630497893671
Energy: 0.48074677881923655
Energy: 0.4535492748601834
Energy: 0.4547984652021671
Energy: 0.4810638855760524
Energy: 0.49749962460511216
Energy: 0.41912546138571183
Energy: 0.4188916079233779
Energy: 0.49862188294208726
Energy: 0.4244802625844927
Energy: 0.41917110519243933
Energy: 0.4974145661068996
Energy: 0.4837932630660502
Energy: 0.4868883084332995
Energy: 0.4972081760096674
Energy: 0.5020250276139763
Energy: 0.4855466262561871
Energy: 0.4334032367057175
Energy: 0.4840316560674927
Energy: 0.484575985301897
Energy: 0.4311227783607713
Energy: 0.48533414292565263
Energy: 0.43000470547720093
Energy: 0.43011563410586917
Energy: 0.498037014426676
Energy: 0.49818463992798345
Energy: 0.4301559147402432
Energy: 0.45329398485318284
Energy: 0.4957651418210501
Energy: 0.5040660389989848
Energy: 0.45265625174473106
Energy: 0.4801647229659663
Energy: 0.46351210197862874
Energy: 0.4524250167337964
Energy: 0.48627395688832953
Energy: 0.5231339475018053
Energy: 0.4511594824885918
Energy: 0.45095227271194555
Energy: 0.5229403604191601
Energy: 0.45697270147917246
Energy: 0.4513730103220608
Energy: 0.5179424465179333
Energy: 0.5000963060179001
Energy: 0.5003148582788702
Energy: 0.5191939601142583
Energy: 0.4811673373467173
Energy: 0.5137380645041757
Energy: 0.4860151361457313
Energy: 0.49978110057429265
Energy: 0.5000118389889158
Energy: 0.4854831039253375
Energy: 0.5208403029970827
Energy: 0.49642727407637416
Energy: 0.46177633926805717
Energy: 0.536648787172278
Energy: 0.5355928878637246
Energy: 0.4617551680046154
Energy: 0.479100888805491
Energy: 0.5360134437389099
Energy: 0.5131127911376949
Energy: 0.5196632875977255
Energy: 0.5109337396843772
Energy: 0.4319275627695274
Energy: 0.5200158517101623
Energy: 0.4945477227934817
Energy: 0.4844893488955367
Energy: 0.5236284485103458
Energy: 0.5238916800424883
Energy: 0.48468844963129887
Energy: 0.5244987046910974
Energy: 0.5321033672289955
Energy: 0.521411001706711
Energy: 0.5120081190277433
Energy: 0.5125337846723506
Energy: 0.5216513207325701
Energy: 0.48600343213008756
Energy: 0.5126977492847383
Energy: 0.5560614461392105
Energy: 0.5101084811029192
Energy: 0.540783799514192
Energy: 0.5376110840211784
Energy: 0.48786457663492677
Energy: 0.5419557647489759
Energy: 0.48659705641965717
Energy: 0.5186215039947653
Energy: 0.5178127324773859
Energy: 0.48640637327889735
Energy: 0.5240821617692079
Energy: 0.5140718462969668

minimum gb energy = 0.41887879245588144 eV
minimum distance =  2.35252104449325 Angstroms
sigma value = 67


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

Energy: 0.6622588514375407
Energy: 0.6590719303498457
Energy: 0.6515625328940179
Energy: 0.5515027473695346
Energy: 0.6589660299018755
Energy: 0.6552128663199507
Energy: 0.6764565837148673
Energy: 0.6536607721548598
Energy: 0.6461756641203378
Energy: 0.6515287056523004
Energy: 0.6541539659763028
Energy: 0.6487177421603986
Energy: 0.6703511182704257
Energy: 0.6276307372203148
Energy: 0.646127499629299
Energy: 0.6512081462313539
Energy: 0.628606637240707
Energy: 0.6425557609953917
Energy: 0.619587545606372
Energy: 0.6431738710273055
Energy: 0.6427788811695161
Energy: 0.6196145875937009
Energy: 0.6371088251708815
Energy: 0.6421321335806481
Energy: 0.6131750238901004
Energy: 0.653836221563427
Energy: 0.6508420883811178
Energy: 0.6134915111011073
Energy: 0.6544848276933284
Energy: 0.6490545425146484
Energy: 0.6226210757488558
Energy: 0.6444010734080644
Energy: 0.6299397850067711
Energy: 0.5686536359454237
Energy: 0.6444372321838702
Energy: 0.6290615171583436
Energy: 0.6233012292441295
Energy: 0.6212401504990291
Energy: 0.6188309647087995
Energy: 0.6224652527434834
Energy: 0.6190035989327124
Energy: 0.6175392761668763
Energy: 0.6206754926126784
Energy: 0.60996974963712
Energy: 0.6151405912000957
Energy: 0.6154853966460198
Energy: 0.5418234879658691
Energy: 0.6172864658227257
Energy: 0.6302094579910849
Energy: 0.6341498518989548
Energy: 0.6369094539447999
Energy: 0.6322283284226329
Energy: 0.5687584575431223
Energy: 0.6367237824054977
Energy: 0.6334591256179678
Energy: 0.5721836792144552
Energy: 0.5689863478394668
Energy: 0.6337325357045037
Energy: 0.5706389519782974
Energy: 0.5689879385223618
Energy: 0.6302577638719585
Energy: 0.6163345265631845
Energy: 0.6156864644266223
Energy: 0.5423355043936287
Energy: 0.6162647228969521
Energy: 0.6164975810187149
Energy: 0.5468687976418866
Energy: 0.6121367917288297
Energy: 0.612378876051532
Energy: 0.5465937250642303
Energy: 0.5715532569400773
Energy: 0.5409905511551989
Energy: 0.5486214692332488
Energy: 0.6070631805672022
Energy: 0.6057731089135641
Energy: 0.5415246767919368
Energy: 0.5441538275000154
Energy: 0.5413703361793293
Energy: 0.6139707080651442
Energy: 0.6077665034267378
Energy: 0.6052863746368148
Energy: 0.542463732528958
Energy: 0.5821519090953972
Energy: 0.6044393266523541
Energy: 0.6159716136162214
Energy: 0.5446923827965071
Energy: 0.5490411622562368
Energy: 0.61613469929142
Energy: 0.5436081653916289
Energy: 0.5417780377992544
Energy: 0.6164936371606503
Energy: 0.6174522258769521
Energy: 0.6139445811088232
Energy: 0.5709494763086019
Energy: 0.5896511114319678
Energy: 0.6119541844898062
Energy: 0.5737290522622165
Energy: 0.6080333330200796
Energy: 0.6045291388198166
Energy: 0.5742535442038688
Energy: 0.5365338756081716
Energy: 0.5685002041957126
Energy: 0.5687558852502193
Energy: 0.6340004958508466
Energy: 0.6377946960984853
Energy: 0.5691671067840147
Energy: 0.6340427931727243
Energy: 0.611424571482986
Energy: 0.6138710585180617
Energy: 0.6311803954040636
Energy: 0.6207588729145874
Energy: 0.550112314035846
Energy: 0.6311262288463464
Energy: 0.6205912777282022
Energy: 0.6235826244763728
Energy: 0.6259919785423232
Energy: 0.6182766079602336
Energy: 0.623818952767997
Energy: 0.6195972771747256
Energy: 0.6170589685429945
Energy: 0.6174061037915528
Energy: 0.6423721186753572
Energy: 0.6399191252788679
Energy: 0.6176478708592015
Energy: 0.6161651740370163
Energy: 0.6418095240147124
Energy: 0.6697793773923174
Energy: 0.6151837513573891
Energy: 0.6402180723625001
Energy: 0.6506940320552879
Energy: 0.6151523889242922
Energy: 0.6415444022740251
Energy: 0.635529526639903
Energy: 0.6199523005250421
Energy: 0.6262699116494223
Energy: 0.6359991634028608
Energy: 0.6178962554742502
Energy: 0.6175463361565263

minimum gb energy = 0.5365338756081716 eV
minimum distance =  2.34824140009551 Angstroms
sigma value = 33


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

Energy: 0.7653579514101138
Energy: 0.7451658775409467
Energy: 0.7618123806353094
Energy: 0.7443603393379672
Energy: 0.7458146641874331
Energy: 0.7222945092796434
Energy: 0.7723860869444666
Energy: 0.6798318777915905
Energy: 0.6794283295111223
Energy: 0.6773525226022319
Energy: 0.7461278597085551
Energy: 0.6341827266753971
Energy: 0.7575062144471596
Energy: 0.6708367339320176
Energy: 0.7180374765387846
Energy: 0.7299880962022713
Energy: 0.6776652143896212
Energy: 0.679926100949742
Energy: 0.6807187825075471
Energy: 0.7018814858872755
Energy: 0.7180037816038236
Energy: 0.6808052194367101
Energy: 0.7283315174799212
Energy: 0.7190880721557543
Energy: 0.6790224727388313
Energy: 0.6822660517090391
Energy: 0.6281447154528506
Energy: 0.6791458449149719
Energy: 0.6818593043835074
Energy: 0.6342917921298485
Energy: 0.7144663514039111
Energy: 0.6281028710240882
Energy: 0.6272929536323725
Energy: 0.6292260207245056
Energy: 0.6274273623617791
Energy: 0.6366549667939395
Energy: 0.6793819212078415
Energy: 0.6290975682025522
Energy: 0.6282223178827138
Energy: 0.6794880948589666
Energy: 0.62825184003763
Energy: 0.6791266070848782
Energy: 0.6805925794580644
Energy: 0.6253646950669584
Energy: 0.6423422918379887
Energy: 0.6804463584295652
Energy: 0.6304203406074254
Energy: 0.6336627443839279
Energy: 0.6991673442072446
Energy: 0.6778650478897552
Energy: 0.7058632220413582
Energy: 0.6345396461403068
Energy: 0.6282456889792312
Energy: 0.7025635904332531
Energy: 0.6992286925421962
Energy: 0.6310290604328036
Energy: 0.6270206018677541
Energy: 0.7002230439218587
Energy: 0.6273159270541532
Energy: 0.6267029265327402
Energy: 0.6644119578578526
Energy: 0.6722258527144093
Energy: 0.6876970531653885
Energy: 0.6294180578388905
Energy: 0.6646716149476515
Energy: 0.686117048338416
Energy: 0.6259551799900794
Energy: 0.6278918106433931
Energy: 0.6286394300905573
Energy: 0.6258084891983934
Energy: 0.638352958080864
Energy: 0.6262306756739017
Energy: 0.6264393257051222
Energy: 0.703332269663245
Energy: 0.7037994781730978
Energy: 0.6264223085938907
Energy: 0.6354837157975299
Energy: 0.6264716793863518
Energy: 0.6137900959552115
Energy: 0.6331931060167796
Energy: 0.6995750877822605
Energy: 0.6144513830671368
Energy: 0.6992838313607227
Energy: 0.6844434663668325
Energy: 0.7090403123100928
Energy: 0.6832100187800585
Energy: 0.636396494411692
Energy: 0.6120460919075498
Energy: 0.6801413235985007
Energy: 0.677593289225598
Energy: 0.673592924389015
Energy: 0.6116773466519208
Energy: 0.6104402627964599
Energy: 0.6744331495015609
Energy: 0.6379506523481804
Energy: 0.67397998610209
Energy: 0.7596220652164853
Energy: 0.6375730642826009
Energy: 0.6113334636064875
Energy: 0.7304070709779187
Energy: 0.6425228728697618
Energy: 0.6106042872646595
Energy: 0.7596711302263599
Energy: 0.6809075902823026
Energy: 0.679136275676968
Energy: 0.6767209427196187
Energy: 0.680023470581471
Energy: 0.7280298809887127
Energy: 0.7173444613180847
Energy: 0.731613952291396
Energy: 0.7346497702963481
Energy: 0.6429851768658065
Energy: 0.7315706974429772
Energy: 0.7048371097924929
Energy: 0.7112348484781252
Energy: 0.6821601170253689
Energy: 0.6827882217442602
Energy: 0.7117457974994293
Energy: 0.6819104560133896
Energy: 0.6338554282867292
Energy: 0.7610018149507044
Energy: 0.7121618469007894
Energy: 0.629758637934966
Energy: 0.7314055156436645
Energy: 0.6845606333315979
Energy: 0.6297401953781991
Energy: 0.7326397390930324
Energy: 0.6711052950351216
Energy: 0.7180767589735334
Energy: 0.7316861048765353
Energy: 0.6712080668455171
Energy: 0.719556589383693
Energy: 0.6792097688786709
Energy: 0.6826895390797302
Energy: 0.6345623553581804
Energy: 0.6794293520851848
Energy: 0.6823389272095599
Energy: 0.6784665157769293
Energy: 0.7143481835349206
Energy: 0.6274514863765439
Energy: 0.6278394998226605
Energy: 0.6254042884817267
Energy: 0.626698151702631
Energy: 0.6945178189639251
Energy: 0.6788698502200762
Energy: 0.6281613922128345
Energy: 0.6276872901217674
Energy: 0.6790224506369305
Energy: 0.6283258952957784
Energy: 0.724359509586682
Energy: 0.6840600518142442
Energy: 0.625657775585309
Energy: 0.7021255952230452
Energy: 0.6803902720449905
Energy: 0.6297491491839209
Energy: 0.6348587597915545
Energy: 0.6984857518831952
Energy: 0.676833346336135
Energy: 0.7069450036461011
Energy: 0.7017883124740852
Energy: 0.6425537901044212
Energy: 0.7034489079036371
Energy: 0.69917932243327
Energy: 0.6268447368329467
Energy: 0.6269312398184306
Energy: 0.7001146583105637
Energy: 0.6277444067768754
Energy: 0.626538250124623
Energy: 0.6634111321647499
Energy: 0.6656578510589255
Energy: 0.6844858035231988
Energy: 0.6302358508029438
Energy: 0.6635715816350132
Energy: 0.6880334900302354
Energy: 0.6258200222821109
Energy: 0.6270777893394148
Energy: 0.628632296135896
Energy: 0.6258820474177057
Energy: 0.6406139075211765
Energy: 0.6264216102442264
Energy: 0.6286361521012335
Energy: 0.701535913342995
Energy: 0.6695402769762702
Energy: 0.6267560734022607
Energy: 0.6346177765893268
Energy: 0.6263032985588243
Energy: 0.6112907403310405
Energy: 0.6328973597162785
Energy: 0.6988213910994536
Energy: 0.6146190249075085
Energy: 0.7031639731462479
Energy: 0.6850593554230564
Energy: 0.7031771732763935
Energy: 0.6841366805574964
Energy: 0.636359093438388
Energy: 0.6130574226847829
Energy: 0.6810447378689505
Energy: 0.6741792348973983
Energy: 0.6734084915600296
Energy: 0.7157983922875725
Energy: 0.6730520736724963
Energy: 0.6337177093803904
Energy: 0.6383471424665424
Energy: 0.672808913107973
Energy: 0.8001303257982618
Energy: 0.6377243150187416
Energy: 0.6112318828365277
Energy: 0.7329236336493036
Energy: 0.615154960972397
Energy: 0.6108268273131812
Energy: 0.7636391455626383
Energy: 0.6823306368098553
Energy: 0.6326807581147565
Energy: 0.6823871583013592
Energy: 0.6822764179446625
Energy: 0.6325986165570762
Energy: 0.717629803969926
Energy: 0.7314578043553125
Energy: 0.7341096046316951
Energy: 0.6408195333311021
Energy: 0.7314272327292843
Energy: 0.7040333282356814

minimum gb energy = 0.6104402627964599 eV
minimum distance =  2.36725712139569 Angstroms
sigma value = 41


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

Energy: 0.8736453249736351
Energy: 0.7714468698349761
Energy: 0.8403473041898483
Energy: 0.7380773763834744
Energy: 0.7715732432170437
Energy: 0.8391749770522646
Energy: 0.8759190211358023
Energy: 0.775739506234925
Energy: 0.7768668292188747
Energy: 0.7733542294731549
Energy: 0.7749983123844887
Energy: 0.7525829489814727
Energy: 0.8782070929535789
Energy: 0.7371822943118148
Energy: 0.7348279930888728
Energy: 0.7737964468542978
Energy: 0.7403088257538298
Energy: 0.7368139599894196
Energy: 0.7769375504753842
Energy: 0.7373944727182571
Energy: 0.7354206063753194
Energy: 0.7772530673185233
Energy: 0.7386161695026052
Energy: 0.7617610327405124
Energy: 0.760860454667113
Energy: 0.7766365883081244
Energy: 0.7545196430764919
Energy: 0.7611029391460375
Energy: 0.7761471839176599
Energy: 0.7376965574226578
Energy: 0.7746253916661664
Energy: 0.7788431093817637
Energy: 0.7370212812204094
Energy: 0.7634402980523508
Energy: 0.7786786345386881
Energy: 0.7362729511160458
Energy: 0.7597038939603984
Energy: 0.7397412734362012
Energy: 0.7510427610482067
Energy: 0.7597523824807418
Energy: 0.7381762953586052
Energy: 0.7403116529644395
Energy: 0.7636169825482927
Energy: 0.7388710057562015
Energy: 0.7373367203749115
Energy: 0.7645295371893307
Energy: 0.7647028042182797
Energy: 0.7643352780126512
Energy: 0.803920557554838
Energy: 0.7385805725034575
Energy: 0.7366162447825705
Energy: 0.8037962079275873
Energy: 0.78172270141982
Energy: 0.7366585041700939
Energy: 0.7780160568211301
Energy: 0.7647553877768319
Energy: 0.772424114823895
Energy: 0.7664465222739953
Energy: 0.7609019573861168
Energy: 0.7365593241630884
Energy: 0.8304580372004159
Energy: 0.7741812084739453
Energy: 0.7408071491560447
Energy: 0.8297370109207148
Energy: 0.7232737449317399
Energy: 0.740155776530708
Energy: 0.8825994311399166
Energy: 0.722915122758751
Energy: 0.7234614423407756
Energy: 0.8837143361238858
Energy: 0.7226469470030501
Energy: 0.7742112511193264
Energy: 0.8812577689596974
Energy: 0.7628733049710795
Energy: 0.7530051575986672
Energy: 0.7743759342594423
Energy: 0.7638289836815243
Energy: 0.7524215573149179
Energy: 0.7218384381600937
Energy: 0.7752712950957064
Energy: 0.7284069590281967
Energy: 0.7265025126884267
Energy: 0.7752172283051999
Energy: 0.7247099069124456

minimum gb energy = 0.7218384381600937 eV
minimum distance =  2.35483905624062 Angstroms
sigma value = 11


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

Energy: 0.8515810781402496
Energy: 0.9290182319115357
Energy: 0.9068124956041628
Energy: 0.8844595609354812
Energy: 0.8830254717343667
Energy: 0.8603034252008072
Energy: 1.0088215830912666
Energy: 0.8557693908591247
Energy: 0.8588685795972947
Energy: 0.8926854742909985
Energy: 0.855028040410581
Energy: 0.8842416813826222
Energy: 1.0088938396382336
Energy: 0.8578389325014734
Energy: 0.8624514559762732
Energy: 0.861527655618661
Energy: 0.8585350898745617
Energy: 0.8754967765195687
Energy: 0.8844566047320321
Energy: 0.8487643644676253
Energy: 0.8796323076465171
Energy: 0.8579242043797171
Energy: 0.8510101655456384
Energy: 0.8792254972132385
Energy: 0.8790293046590082
Energy: 0.8567836711956284
Energy: 0.8570498370682201
Energy: 0.8645400719021248
Energy: 0.8595285043213003
Energy: 0.8849907442594809
Energy: 0.901157655042674
Energy: 0.863087093228226
Energy: 0.8664738566252096
Energy: 0.8567239662711476
Energy: 0.8726542630429139
Energy: 0.8710308949903757
Energy: 0.8729010293595225
Energy: 0.8662312930526168
Energy: 0.8664231076676053
Energy: 0.8728431364591531
Energy: 0.8743015544391401
Energy: 0.8706454376421117
Energy: 0.870838730219739
Energy: 0.8573176461824538
Energy: 0.8840911228698051
Energy: 0.8569834002300637
Energy: 0.8993421488752742
Energy: 0.8583136492339432
Energy: 0.85053499441995
Energy: 0.8753431178613635
Energy: 0.879986914399094
Energy: 0.8451810934848264
Energy: 0.8635868954275799
Energy: 0.846998173448377
Energy: 0.8504410932433654
Energy: 0.8750278966814409
Energy: 0.8804527965253867
Energy: 0.8473095294901368
Energy: 0.8616477134279148
Energy: 0.8509621596499272
Energy: 0.871224508308481
Energy: 0.8591920185546403
Energy: 0.8850466288654851
Energy: 0.857056245614686
Energy: 0.8610606740453539
Energy: 0.8578139992336938
Energy: 0.8564840053292858
Energy: 0.8551257999000661
Energy: 0.8617388309315291
Energy: 0.8567398374695484
Energy: 0.8613409960146752
Energy: 0.871485205201721
Energy: 0.8550932568665057
Energy: 0.8575017748285585
Energy: 0.8571750515463329
Energy: 0.8549285303285208
Energy: 0.8652735602547065
Energy: 0.8856708987335654
Energy: 0.8705076083803708
Energy: 0.873998082487011
Energy: 0.8690418546968081
Energy: 0.8585001560903137
Energy: 0.8933937120970136
Energy: 0.8634266476621832
Energy: 0.8496415044794745
Energy: 0.856941526549087
Energy: 0.8781404666655153
Energy: 0.8539753683605821
Energy: 0.8586746262470744
Energy: 0.8785692640037598
Energy: 0.8497020094835611
Energy: 0.8562049580932493
Energy: 0.8796566065757561
Energy: 0.8508055341442187
Energy: 0.8588820161798375
Energy: 0.8493538825164887
Energy: 0.848814324936021
Energy: 0.8536646666156043
Energy: 0.8810663044764889
Energy: 0.8492248163118346
Energy: 0.8546703965802854
Energy: 0.8719897843088549
Energy: 0.8873167163492867
Energy: 0.873501905198855
Energy: 0.8938537977690234
Energy: 0.8584173151543578
Energy: 0.9229186111389511
Energy: 0.8590528748820608
Energy: 0.8646547872937095
Energy: 0.8542917993875854
Energy: 0.8535310907360925
Energy: 0.8652008493225883
Energy: 0.8545189938622224
Energy: 0.8816816153392645
Energy: 0.8747458026213842
Energy: 0.8475535951003127
Energy: 0.8591706575090131
Energy: 0.8601619951639096
Energy: 0.8514404892290207
Energy: 0.8732383241397934
Energy: 0.9285469373463136
Energy: 0.8508409916293698
Energy: 0.8738343818444473
Energy: 0.857487320374523
Energy: 0.8511070716764996
Energy: 0.8567555257606482
Energy: 0.8904022635764771
Energy: 0.8569638871185369
Energy: 0.8561269482008002
Energy: 0.8707740688767767
Energy: 0.8579463769812218
Energy: 0.871160449586883
Energy: 0.8711473382682307
Energy: 0.8691969542541141
Energy: 0.8740482023391464
Energy: 0.8582516896705971
Energy: 0.8601003357005036
Energy: 0.8621407200523218
Energy: 0.925473147434631
Energy: 0.8653085717912193
Energy: 0.8726366777829703
Energy: 0.8664578112753929
Energy: 0.8614186236081646
Energy: 0.8533210367706178
Energy: 0.921286475297063
Energy: 0.857935173345572
Energy: 0.872034946825957
Energy: 0.9223280489278581
Energy: 0.8558214897305072
Energy: 0.8614673513930973
Energy: 0.9193739344234153
Energy: 0.8638009308537272
Energy: 0.8791545938612709
Energy: 0.8584763916266063
Energy: 0.8533148580745034
Energy: 0.8792705985350439
Energy: 0.8985002253989754
Energy: 0.855101676274382
Energy: 0.8495189331112903
Energy: 0.8588118395951508
Energy: 0.8511215231350052
Energy: 0.8787996902020381
Energy: 0.8987914018069387
Energy: 0.8505544161606199
Energy: 0.8790726953693692
Energy: 0.8583813819921093
Energy: 0.8538391906938102
Energy: 0.8782511644745327
Energy: 0.9126392776020728
Energy: 0.8597237193850632
Energy: 0.8607335676451103
Energy: 0.8589312320816107
Energy: 0.8813826954481844
Energy: 0.8679097567145626
Energy: 1.0081170502740364
Energy: 0.855508295545126
Energy: 0.8840193812746178
Energy: 0.86574189819071
Energy: 0.855160449044869
Energy: 0.8787320655018276
Energy: 0.8847298633736416
Energy: 0.8585567167396672
Energy: 0.8715898590495819
Energy: 0.8506694109697267
Energy: 0.8576003023434239
Energy: 0.8589908423536738

minimum gb energy = 0.8451810934848264 eV
minimum distance =  2.34923166036102 Angstroms
sigma value = 57


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

Energy: 1.184303336090865
Energy: 0.875114737727356
Energy: 0.9650176815794435
Energy: 0.9618210857541354
Energy: 1.271327784118073
Energy: 0.9635476562085492
Energy: 0.9136070356460428
Energy: 0.8742923511130498
Energy: 0.8715203241248293
Energy: 0.8802303520997274
Energy: 0.87838994642272
Energy: 0.8687340951468935
Energy: 0.9144288361757898
Energy: 0.8908612108848627
Energy: 0.8889852768178074
Energy: 0.9153681688179454
Energy: 0.8750498620511326
Energy: 0.8729168668186186
Energy: 0.8724913895262554
Energy: 0.8765066364765096
Energy: 0.8678438608491629
Energy: 0.8736068647542763
Energy: 0.8713641181761218
Energy: 0.8689050720861389
Energy: 0.878071619407147
Energy: 0.8760969500316472
Energy: 0.8718774221384991
Energy: 0.8744020817176198
Energy: 0.8738247277211081
Energy: 0.8693747460231126
Energy: 0.8744547170334388
Energy: 0.8796012484757021
Energy: 0.8780044924728793
Energy: 0.8779868476059349
Energy: 0.916391171473275
Energy: 0.8716282918432113
Energy: 0.9130613384480752
Energy: 0.8892081213785712
Energy: 0.8943259706232551
Energy: 0.9140685171848968
Energy: 0.8853805925669953
Energy: 0.9339812903212613
Energy: 0.9553981593400515
Energy: 0.8762452349849308
Energy: 0.8725804567372013
Energy: 0.8767595433526427
Energy: 0.8749516325830826
Energy: 0.8679652008816077
Energy: 0.8513180222543137
Energy: 0.8751569347831305
Energy: 0.8892128038828867
Energy: 0.8557788032602301
Energy: 0.8723657221400156
Energy: 0.8912589391674619
Energy: 0.8505546434895938
Energy: 0.8744709453902217
Energy: 0.8894095400707874
Energy: 0.8551458833329815
Energy: 0.8734088939416169
Energy: 0.8524954423417608
Energy: 0.913289948214648
Energy: 0.8774189094005742
Energy: 0.8806784844245318
Energy: 0.8770569166674609
Energy: 0.8752229413575956
Energy: 0.868389755940828
Energy: 0.9041929630481079
Energy: 0.8920797168126627
Energy: 0.8893948730908376
Energy: 0.904432958095837
Energy: 0.8937991835248161
Energy: 0.8755745151789319
Energy: 0.8809003739418928
Energy: 0.8733081921071895
Energy: 0.8993420859316155
Energy: 0.8797760558659482
Energy: 0.8775095551622034
Energy: 0.8680491882049531
Energy: 0.8735284062312193
Energy: 0.9153708034398499
Energy: 0.8750243269355359
Energy: 0.8780123189730055
Energy: 0.9159151843920043
Energy: 0.8772993726121848
Energy: 0.8782316632535232
Energy: 0.8866707411163126
Energy: 0.8697587619270053
Energy: 0.8767368904137047
Energy: 0.8863114742200864
Energy: 0.8681362910804555
Energy: 0.9163883376222974
Energy: 0.8871852297745125
Energy: 0.8869684568214036
Energy: 0.9143948619234775
Energy: 0.8867789018884966
Energy: 0.8782495234610281
Energy: 0.8507536269912761
Energy: 0.8801147445819618
Energy: 0.8713038070490052
Energy: 0.8513457885748528
Energy: 0.8788309679881174
Energy: 0.872389581521642

minimum gb energy = 0.8505546434895938 eV
minimum distance =  2.35837691801425 Angstroms
sigma value = 9


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

Energy: 1.4492222258727192
Energy: 0.9418891724350946
Energy: 0.9251184570129627
Energy: 0.9234623659676128
Energy: 1.3640146685125751
Energy: 0.9237849300243489
Energy: 0.9307629593401939
Energy: 0.9172501032279173
Energy: 0.918934628939279
Energy: 0.9147397148610252
Energy: 0.9395581955205297
Energy: 0.917448515165455
Energy: 0.9255209548000219
Energy: 0.9243878501785047
Energy: 0.9214267352589544
Energy: 0.9054456263253996
Energy: 0.9141843212381309
Energy: 0.9187543059496582
Energy: 0.9110940642107125
Energy: 0.9160477608293381
Energy: 0.9308365754892189
Energy: 0.9138043345569438
Energy: 0.9139615527037102
Energy: 0.9290789825279978
Energy: 0.9504426486940453
Energy: 0.8915764367668599
Energy: 0.8888296979040479
Energy: 0.8871523656123381
Energy: 0.887929858081476
Energy: 0.8876816707921692
Energy: 0.9219130285887694
Energy: 0.9173292900714816
Energy: 0.9153677977843343
Energy: 0.9227892472251175
Energy: 0.9204854723858756
Energy: 0.9155057802639044
Energy: 0.9055919836328604
Energy: 0.9159745509848197
Energy: 0.9077646162343675
Energy: 0.8867125082614554
Energy: 0.91922981524717
Energy: 0.9170346353286712
Energy: 0.9417855303746376
Energy: 0.915776336859685
Energy: 0.9196243465118761
Energy: 0.906603994566246
Energy: 0.914849181786043
Energy: 0.9202380020280331
Energy: 0.9611745767345996
Energy: 0.8911852750288063
Energy: 0.889588971629058
Energy: 0.9373953135794179
Energy: 0.8879856268906149
Energy: 0.9203533759692063
Energy: 0.9609337665924763
Energy: 0.8896045967569829
Energy: 0.887073766339499
Energy: 0.9374476914177525
Energy: 0.9069953001914515
Energy: 0.8869396646680602
Energy: 0.9417228490102267
Energy: 0.9041002203872682
Energy: 0.9033473133416292
Energy: 0.908264347395889
Energy: 0.9022713952863225
Energy: 0.8887155734335497
Energy: 0.9469273691343111
Energy: 0.9161269793110934
Energy: 0.9225621443135273
Energy: 0.9270337419157746
Energy: 0.9144978715800752
Energy: 0.9168556489414962
Energy: 0.9610173124915529
Energy: 0.9162669881479675
Energy: 0.9168627086024056
Energy: 0.9275806608194828
Energy: 0.913407045096365
Energy: 0.9149872990054667
Energy: 0.9474377364095974
Energy: 0.9144130279009479
Energy: 0.915805764999372
Energy: 0.9278456847089352
Energy: 0.9148813605414948
Energy: 0.928506821751124
Energy: 0.9409123090042106
Energy: 0.9030428693047244
Energy: 0.8863198424960573
Energy: 0.9266853796235949
Energy: 0.9009977471556706
Energy: 0.890559717196364
Energy: 0.9257368262180675
Energy: 0.927691259663011
Energy: 0.8854313839855746
Energy: 0.9263276920393212
Energy: 0.9355326416992402
Energy: 0.8855883441300613
Energy: 0.9318227809985562
Energy: 0.9273261577304086
Energy: 0.9294857835925808
Energy: 0.9335288081826544
Energy: 0.9133074663043439
Energy: 0.9156128172260581
Energy: 1.029779759640453
Energy: 0.9159786119580281
Energy: 0.8876410681343123
Energy: 0.8915919794636747
Energy: 0.9326626932042066
Energy: 0.8879074585584776
Energy: 0.9267282587592572
Energy: 0.9150282525662468
Energy: 0.9230782811045228
Energy: 0.9269626008480835
Energy: 0.9089170014740996
Energy: 0.9196127651013751
Energy: 0.9260957881730216
Energy: 0.9300386184427467
Energy: 0.9243173217624625
Energy: 0.8871764147610676
Energy: 0.9145851906799911
Energy: 0.9195196556932701
Energy: 0.9310618442086589
Energy: 0.8892308420321572
Energy: 0.9175704837508903
Energy: 0.9146197690426316
Energy: 0.9299814664393569
Energy: 0.8866515270987745

minimum gb energy = 0.8854313839855746 eV
minimum distance =  2.35670746373702 Angstroms
sigma value = 27


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

Energy: 0.8746207957562756
Energy: 0.9596179342623571
Energy: 0.8564035341633365
Energy: 0.8747281790573458
Energy: 1.2991066984087365
Energy: 0.8576120477982511
Energy: 0.8684908347528932
Energy: 0.8654866770341287
Energy: 0.8673152543970442
Energy: 0.8690950897374575
Energy: 0.8625515918797346
Energy: 0.8690483998783934
Energy: 0.8700276407658951
Energy: 0.8687380327875242
Energy: 0.8682094386525818
Energy: 0.8707791592910866
Energy: 0.8760447442814487
Energy: 0.8676531467667877
Energy: 0.8619097005958201
Energy: 0.8633891532344472
Energy: 0.8635674875037692
Energy: 0.8628216272775818
Energy: 0.8677258157570088
Energy: 0.8704391526046108
Energy: 0.9049236971128941
Energy: 0.8651826629991499
Energy: 0.8633125674313746
Energy: 0.8661682210271383
Energy: 0.8653207718880097
Energy: 0.8646693256711069
Energy: 0.8747695311067346
Energy: 0.8687986390333176
Energy: 0.8682188467766848
Energy: 0.8732751771636612
Energy: 0.869375299842082
Energy: 0.86725246898161
Energy: 0.8645609244267648
Energy: 0.86199727937837
Energy: 0.8601106329500787
Energy: 0.8650787207234272
Energy: 0.8751934376841138
Energy: 0.8575362728819133
Energy: 0.8687347616928291
Energy: 0.8824393308902053
Energy: 0.8645100105007361
Energy: 0.8632088620276711
Energy: 0.8860528450407213
Energy: 0.8627153074580515
Energy: 0.9972511790707035
Energy: 0.8649446586956523
Energy: 0.8669896481838888
Energy: 0.8628295201622527
Energy: 0.8643076287943886
Energy: 0.8691025174247475
Energy: 1.0040838702844748
Energy: 0.8643902798904269
Energy: 0.8674413258944498
Energy: 0.8629459821995258
Energy: 0.8618545662453648
Energy: 0.8690719463507224
Energy: 0.8752291435217178
Energy: 0.8638097755923984
Energy: 0.8698605491388607
Energy: 0.8634297417997607
Energy: 0.8723533927040954
Energy: 0.8673232021175712
Energy: 0.8691375112873093
Energy: 0.8687360519069578
Energy: 0.8690050899475715
Energy: 0.8624317783001101
Energy: 0.8686666417828713
Energy: 0.8690306389637668
Energy: 0.8831704255068191
Energy: 0.8655804418352838
Energy: 0.8606908835732577
Energy: 0.881428638216772
Energy: 0.8625068345150742
Energy: 0.8626521312850665
Energy: 0.8760711088041206
Energy: 0.8664322899778057
Energy: 0.8679999823789685
Energy: 0.8574688902798892
Energy: 0.8639897759583403
Energy: 0.8585783602334442
Energy: 0.8714433003616354
Energy: 0.8624796935816312
Energy: 0.8679026507374616
Energy: 0.8633851769727764
Energy: 0.8629009235438418
Energy: 0.8685467961797425
Energy: 0.8608568299192741
Energy: 0.8651408916186749
Energy: 0.8679569412684266
Energy: 0.8611451555690004
Energy: 0.8633897303580262
Energy: 0.8684291411485772
Energy: 0.8987074396616779
Energy: 0.8655821110175196
Energy: 0.8626962400861382
Energy: 0.8727431016613381
Energy: 0.8631421951419744
Energy: 0.8633449393714603
Energy: 0.8771367749584702
Energy: 0.8652805368948837
Energy: 0.869461047381627
Energy: 0.8687747255922582
Energy: 0.8644473010613365
Energy: 0.8710315079234285
Energy: 0.8596913575707142
Energy: 0.8568534186846077
Energy: 0.8579038016885141
Energy: 0.8605007900125383
Energy: 0.8567514441635989
Energy: 0.8576866697064676
Energy: 0.870124032132708
Energy: 0.856924060517695
Energy: 0.8579422898244627
Energy: 0.8722467675379486
Energy: 0.8568199085287983
Energy: 0.8577288552056134
Energy: 0.8745400817905317
Energy: 0.8641843395423089
Energy: 0.8697310305721461
Energy: 0.8696028573767915
Energy: 0.8644717251065209
Energy: 0.8623591088549116
Energy: 0.8942135047736143
Energy: 0.8635859462981845
Energy: 0.8682010791416103
Energy: 0.8935498141347499
Energy: 0.8626566302159849
Energy: 0.8679832121250467
Energy: 0.8690415093837532
Energy: 0.8677125804141406
Energy: 0.8691184921482581
Energy: 0.8618869343854222
Energy: 0.868003760279839
Energy: 0.8683199972632981
Energy: 0.8723149257973187
Energy: 0.8633420333630695
Energy: 0.867108867230936
Energy: 0.8635608133682107
Energy: 0.8624970039921442
Energy: 0.8650995079786629
Energy: 0.8757330252131236
Energy: 0.8656991640538113
Energy: 0.8679737799003415
Energy: 0.8573376676433274
Energy: 0.8623447928100134
Energy: 0.8587105086595753

minimum gb energy = 0.8564035341633365 eV
minimum distance =  2.34612542801514 Angstroms
sigma value = 19


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

Energy: 0.9293154854563923
Energy: 0.9122181111307017
Energy: 0.8997804125716761
Energy: 0.8856907202952523
Energy: 0.9180220465867381
Energy: 0.8636565470284896
Energy: 0.9072006723552469
Energy: 0.8750389640526173
Energy: 0.8704126820479172
Energy: 0.8736851748713444
Energy: 0.875119162169398
Energy: 0.8732022915402299
Energy: 0.9069755883602111
Energy: 0.8735195958820048
Energy: 0.875049226222077
Energy: 0.8829552694883435
Energy: 0.8763644148133893
Energy: 0.871715998868483
Energy: 0.9040351909361259
Energy: 0.8763069981759696
Energy: 0.8743827758324876
Energy: 0.8745757678983227
Energy: 0.873253841751563
Energy: 0.8747478547544838
Energy: 0.8978159242446099
Energy: 0.8756835925618446
Energy: 0.8764544128008991
Energy: 0.8804963076332609
Energy: 0.8833940628179467
Energy: 0.8780191257622614
Energy: 0.9160080233707756
Energy: 0.9075587121592885
Energy: 0.8771620287050643
Energy: 0.8953850542863854
Energy: 0.8779125120636448
Energy: 0.8744884401648146
Energy: 0.8979319858073989
Energy: 0.8800031149520581
Energy: 0.8765900317368965
Energy: 0.8741872076897975
Energy: 0.883130712673375
Energy: 0.8739511987490824
Energy: 0.9015158486429892
Energy: 0.8781602208135232
Energy: 0.8684012423450531
Energy: 0.8748848294039517
Energy: 0.87231735468431
Energy: 0.8705993061906437
Energy: 0.8848501054465299
Energy: 0.8705054542082034
Energy: 0.8739280883268319
Energy: 0.8733587232621108
Energy: 0.8692151729990346
Energy: 0.8823860914018898
Energy: 0.8852913467826383
Energy: 0.8838339273637379
Energy: 0.8835084134617117
Energy: 0.8732711544698123
Energy: 0.8841688418848277
Energy: 0.8838198864171672
Energy: 0.9064699034723028
Energy: 0.8665251269060782
Energy: 0.868661226539861
Energy: 0.8841421356717922
Energy: 0.864760614957651
Energy: 0.8528614497151452
Energy: 0.905803141861166
Energy: 0.8687446819976428
Energy: 0.8563370116128564
Energy: 0.8478923894994804
Energy: 0.8736096076846775
Energy: 0.8563524880373362
Energy: 0.9150052022549293
Energy: 0.8729415936788433
Energy: 0.8603073804739914
Energy: 0.89430367137724
Energy: 0.8760132661166502
Energy: 0.8738561992672778
Energy: 0.9396376381796195
Energy: 0.8844996631203755
Energy: 0.8832198090724929
Energy: 0.8655327601251008
Energy: 0.8937833299541813
Energy: 0.8737486832380029
Energy: 0.9050434791240417
Energy: 0.8685666316713687
Energy: 0.869027529917878
Energy: 0.8583358203843516
Energy: 0.8691657422048251
Energy: 0.868535436039825
Energy: 0.9058645832869502
Energy: 0.8663402419985202
Energy: 0.8650990806084787
Energy: 0.8587306658844184
Energy: 0.8704838041628653
Energy: 0.8645071102910512
Energy: 0.8967888469154575
Energy: 0.8749140780999082
Energy: 0.8813430264126438
Energy: 0.8695350145418838
Energy: 0.8855174719071095
Energy: 0.880290520966238
Energy: 0.9219251130011511
Energy: 0.8590492855519132
Energy: 0.8642344567302138
Energy: 0.8753990396929284
Energy: 0.8638380282885066
Energy: 0.8642531328928368
Energy: 0.9159965782264466
Energy: 0.8678766923569815
Energy: 0.868517102916748
Energy: 0.8849034537269737
Energy: 0.8700180615742844
Energy: 0.8716582395928338
Energy: 0.8909528397124885
Energy: 0.8674845021831958
Energy: 0.868671102753223
Energy: 0.8769451892463399
Energy: 0.8672308257277235
Energy: 0.8816326668537944
Energy: 0.8710251565399929
Energy: 0.8751860042427113
Energy: 0.8644582269527932
Energy: 0.8736041381988277
Energy: 0.8598301126416003
Energy: 0.8651281216908553
Energy: 0.8685462072165809
Energy: 0.8474569832687241
Energy: 0.8560921148611663
Energy: 0.8697150849180949
Energy: 0.8474965025949717
Energy: 0.8562098715273597
Energy: 0.8947200957793541
Energy: 0.8834059266451656
Energy: 0.8790831388733167
Energy: 0.892154870646626
Energy: 0.8639108201207775
Energy: 0.8663914046154756
Energy: 0.9158921543025316
Energy: 0.8635062652869842
Energy: 0.8642261421434606
Energy: 0.8959729408650505
Energy: 0.8634951205488546
Energy: 0.870254200564303
Energy: 0.913501863732128
Energy: 0.8514806840238033
Energy: 0.8473674396501634
Energy: 0.8691486519671782
Energy: 0.8553184617544286
Energy: 0.8682761553664431
Energy: 0.9011362868191327
Energy: 0.8689003225303489
Energy: 0.868176377405363
Energy: 0.8725974269646812
Energy: 0.8720961509777281
Energy: 0.8735219551402774
Energy: 0.9081411580101688
Energy: 0.874297837529573
Energy: 0.8741779458453863
Energy: 0.8885010063365958
Energy: 0.873279543738422
Energy: 0.881300514552622
Energy: 0.9068843178501681
Energy: 0.8776088690486713
Energy: 0.8770972178663335
Energy: 0.8657599214161659
Energy: 0.8725206641581471
Energy: 0.8741103190230953
Energy: 0.9303685528646723
Energy: 0.9200930972517378
Energy: 0.9203559816562029
Energy: 0.8622477396749728
Energy: 0.9196104206182328
Energy: 0.8840856431232794

minimum gb energy = 0.8473674396501634 eV
minimum distance =  2.33099682332863 Angstroms
sigma value = 101


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

Energy: 1.3016029018661148
Energy: 0.8518649211994318
Energy: 0.8517733957831829
Energy: 0.8162173720237675
Energy: 0.8419295732011631
Energy: 0.8150000990165908
Energy: 0.8972332295311339
Energy: 0.8414275557856278
Energy: 0.8504660374772026
Energy: 0.8391416190650344
Energy: 0.8363957300544576
Energy: 0.8494661824137744
Energy: 0.8997847155368675
Energy: 0.8403852476195903
Energy: 0.8461633488457289
Energy: 0.8361795405601135
Energy: 0.839779938981563
Energy: 0.8370802457177052
Energy: 0.8861471166640328
Energy: 0.8429758829330013
Energy: 0.8515784183577421
Energy: 0.8374760623971007
Energy: 0.841634759726808
Energy: 0.8528216190200788
Energy: 0.8509679057729677
Energy: 0.8369197200001757
Energy: 0.8382572910022581
Energy: 0.8523132250363539
Energy: 0.8369426563253398
Energy: 0.8529371181516748
Energy: 0.856484998831573
Energy: 0.8493655992499324
Energy: 0.8495747356670356
Energy: 0.8398204261109431
Energy: 0.849940463661145
Energy: 0.8497321056856002
Energy: 0.8843299189667775
Energy: 0.8376521582356906
Energy: 0.8445966702058789
Energy: 0.8637664176433248
Energy: 0.8335420078139405
Energy: 0.8349112357122641
Energy: 0.8712388346468769
Energy: 0.8421369728674001
Energy: 0.8422040839954924
Energy: 0.8596869151279779
Energy: 0.8407399884708144
Energy: 0.8479094081798515
Energy: 0.8382957824985344
Energy: 0.8353992450106701
Energy: 0.8454361140968389
Energy: 0.8365084994710986
Energy: 0.8336449120804368
Energy: 0.8415002018661607
Energy: 0.8528283902324233
Energy: 0.8430935345239018
Energy: 0.8593360071144984
Energy: 0.8360540012446339
Energy: 0.8606313496027461
Energy: 0.8435136343291306
Energy: 0.8904489965847261
Energy: 0.8438211522876994
Energy: 0.8116323631166851
Energy: 0.8377500999239741
Energy: 0.8277604990347486
Energy: 0.8123541382924091
Energy: 0.8990092796357253
Energy: 0.8420797306387078
Energy: 0.8438527653469083
Energy: 0.845196219617252
Energy: 0.8407844449836877
Energy: 0.8440268876283247
Energy: 0.8581969269688006
Energy: 0.8369459784843379
Energy: 0.8372582136408644
Energy: 0.8333214306496188
Energy: 0.8383637426575625
Energy: 0.837061913067154
Energy: 0.8708012113401614
Energy: 0.8458320729788407
Energy: 0.8512281020814412
Energy: 0.833546589536201
Energy: 0.8377571623654719
Energy: 0.8484059157658286
Energy: 0.8951835082551433
Energy: 0.8396842364750069
Energy: 0.8425450038507049
Energy: 0.8413600337479733
Energy: 0.8371685126509053
Energy: 0.8448604329498756
Energy: 0.8958165198681814
Energy: 0.8460963953069949
Energy: 0.8515405250655618
Energy: 0.8415617265160381
Energy: 0.8403668769619169
Energy: 0.852868466940995
Energy: 0.8586485022446148
Energy: 0.8987336214628954
Energy: 0.8548026970081349
Energy: 0.8157633391032633
Energy: 0.8983028238543362
Energy: 0.8399972771614475
Energy: 0.9333107218018046
Energy: 0.8366201192799657
Energy: 0.8357557397547362
Energy: 0.8526021178436045
Energy: 0.8369647611090799
Energy: 0.8511141973745276
Energy: 0.8955677333428996
Energy: 0.8426700114594295
Energy: 0.8449574024977496
Energy: 0.8340692475848295
Energy: 0.8391514845884841
Energy: 0.8481350750098776
Energy: 0.8838224546744629
Energy: 0.8424507715341302
Energy: 0.8465998243051348
Energy: 0.8370616745216378
Energy: 0.8379487466054668
Energy: 0.8482893979339354
Energy: 0.8537006314908125
Energy: 0.8362256465551943
Energy: 0.836641200123046
Energy: 0.8542088849106383
Energy: 0.8370824031313702
Energy: 0.8481145110546551
Energy: 0.8727806022037723
Energy: 0.841901547440295
Energy: 0.8424100475122565
Energy: 0.856351240686677
Energy: 0.8359393399395438
Energy: 0.8424176844158681
Energy: 0.8680071317077995
Energy: 0.8379385885388847
Energy: 0.844100834377902
Energy: 0.8577097566366145
Energy: 0.8351138099542672
Energy: 0.854767287233388
Energy: 0.8802413973203794
Energy: 0.8393994841671936
Energy: 0.8429914644747095
Energy: 0.8575735462141718
Energy: 0.8364783300043321
Energy: 0.8535407847990166
Energy: 0.8498156492120233
Energy: 0.8522600545779849
Energy: 0.8494842746833199
Energy: 0.8400868870986492
Energy: 0.8346375571410374
Energy: 0.8474770242993314
Energy: 0.8389062051551487
Energy: 0.8547089482200781
Energy: 0.8513838058013264
Energy: 0.8369117154338078
Energy: 0.8436366132337674
Energy: 0.8496248979519312
Energy: 0.856863653781862
Energy: 0.8300026105435118
Energy: 0.831611930749263
Energy: 0.82572923407436
Energy: 0.8190686639876916
Energy: 0.840885413082245
Energy: 0.8961656837039363
Energy: 0.8271046376302184
Energy: 0.8412769103935571
Energy: 0.8414139231893842
Energy: 0.8194512530289083
Energy: 0.8487350384305641
Energy: 0.8571922904498768
Energy: 0.8380449913686321
Energy: 0.8525139497332607
Energy: 0.8330843210554857
Energy: 0.8421917812882823
Energy: 0.8455334979536893
Energy: 0.8591047982730429
Energy: 0.831718037165229
Energy: 0.8457694315205841
Energy: 0.8339781240362839
Energy: 0.8266209636812181
Energy: 0.8507684443549238
Energy: 0.8964844257369249
Energy: 0.845987155381769
Energy: 0.8470755569910425
Energy: 0.8402234991762894
Energy: 0.8356498939859611
Energy: 0.8482300150725024
Energy: 0.8953355367161844
Energy: 0.8415002951185886
Energy: 0.8422312923061505
Energy: 0.8341432184646167
Energy: 0.8401318282251352
Energy: 0.8500715103496269
Energy: 0.8594314963427685
Energy: 0.8379245383930606
Energy: 0.8475948754304452
Energy: 0.8161437315466362
Energy: 0.8383212999986034
Energy: 0.8469661692703621

minimum gb energy = 0.8116323631166851 eV
minimum distance =  2.32717321548056 Angstroms
sigma value = 33


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

Energy: 0.015448590501626391
Energy: 0.8376395278307623
Energy: 0.015974427317015615
Energy: 0.017195414528661752
Energy: 0.8392655065149477
Energy: 0.01601636854742073
Energy: 0.41207067927969293
Energy: 0.1053433968367525
Energy: 0.10382060178763212
Energy: 0.10625136127305726
Energy: 0.10564514261827014
Energy: 0.10361106776260795
Energy: 1.1478594932010249
Energy: 0.8385668880740667
Energy: 0.8371711719615416
Energy: 0.8402841345417381
Energy: 0.8397152118726174
Energy: 0.836953039083022
Energy: 0.4120706792788305
Energy: 0.10534339683544656
Energy: 0.10382060178807567
Energy: 0.10625136127350078
Energy: 0.10564514261913255
Energy: 0.10361106776260795

minimum gb energy = 0.015448590501626391 eV
minimum distance =  2.5216473740734 Angstroms
sigma value = 1