Model name: model_name=EAM_Mendelev_2019_CuZr__MO_945018740343_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.640646010637284
cohesive_energy=3.276684801703484
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=[1.6503220418516997e-19, 2.0759562864401396e-19, 2.4800893206003e-19, 2.8281621943367997e-19, 3.13299232072164e-19, 3.38562353237076e-19, 3.59959422184146e-19, 3.79464320526462e-19, 3.9825945461991593e-19, 4.1661559231565395e-19, 4.342203091700459e-19, 4.504663802388059e-19, 4.647882371701319e-19, 4.7691991864278e-19, 4.86996007494006e-19, 4.95482737124304e-19, 5.02809490871586e-19, 5.09088421100232e-19, 5.14271462511222e-19, 5.18337786808314e-19, 5.2134026582043e-19, 5.23376632322244e-19, 5.24555834324868e-19, 5.249419588936619e-19, 5.24555834324868e-19, 5.23288512607374e-19, 5.20673760340686e-19, 5.16238935417774e-19, 5.0960432197638e-19, 5.00395010684148e-19, 4.8824730744516e-19, 4.72880831348466e-19, 4.54173816969882e-19, 4.3216792090189196e-19, 4.068166800221099e-19, 3.77868552598998e-19, 3.4476918551719196e-19, 3.0654765973648797e-19, 2.61754005403116e-19, 2.0820125141166598e-19, 1.4244808256996938e-19, 6.01788758966838e-20, -4.549717009336139e-20, -1.8965765904975e-19, -4.04110603687284e-19, -7.57544360441148e-19, -1.407385601014914e-18, -2.7288913300941596e-18, -5.54768079112206e-18, -1.154499643280988e-17, -2.5593489986842796e-17, -6.36225943538034e-17, -1.8991721166445798e-16, -7.60848048660456e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012459351550577752
Energy: 0.5588277100053571
Energy: 0.012874058155401677
Energy: 0.01265312944194237
Energy: 0.5585914340126301
Energy: 0.012875400824677172
Energy: 0.5588277100032614
Energy: 0.10600573999368665
Energy: 0.10597358315604442
Energy: 0.10590596822627045
Energy: 0.10599410034897401
Energy: 0.10594723148478213
Energy: 0.012874058151450717
Energy: 0.10597358315724688
Energy: 0.1070205842923363
Energy: 0.012869956830743304
Energy: 0.10596192561170463
Energy: 0.10653758300609954
Energy: 0.012653129450084781
Energy: 0.10590596819572781
Energy: 0.012869956822291691
Energy: 0.012693963558368573
Energy: 0.105976396134835
Energy: 0.012774662251296602
Energy: 0.5585914339990594
Energy: 0.10599410033749905
Energy: 0.10596192559507625
Energy: 0.10597639615902175
Energy: 0.1058460233074501
Energy: 0.10600739985509372
Energy: 0.01287540082800972
Energy: 0.10594723147846062
Energy: 0.1065375829988504
Energy: 0.012774662246761593
Energy: 0.10600739989498122
Energy: 0.012638071967004443

minimum gb energy = 0.012459351550577752 eV
minimum distance =  2.57188563772651 Angstroms
sigma value = 1


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

Energy: 1.3071360606708136
Energy: 0.9116421641212396
Energy: 0.8998797835679438
Energy: 0.840101697705859
Energy: 0.9116745985431911
Energy: 0.8999680720290979
Energy: 1.2762197095245624
Energy: 0.832834609464481
Energy: 0.8320962763360371
Energy: 0.8225977104410442
Energy: 0.8207156448766598
Energy: 0.833012072234709
Energy: 1.3209983747690803
Energy: 0.8632901795348471
Energy: 0.8509257983552793
Energy: 0.8457708284370762
Energy: 0.8680801511016888
Energy: 0.8345660672043447
Energy: 1.3215664934358031
Energy: 0.8463307567723581
Energy: 0.845116797062849
Energy: 0.8417559556183007
Energy: 0.8678854395130994
Energy: 0.8434242887718912
Energy: 1.337180348929064
Energy: 0.8337996804040968
Energy: 0.8326352550306353
Energy: 0.8322526890588559
Energy: 0.8507873236762483
Energy: 0.8323002939566628
Energy: 1.2059293728089717
Energy: 0.850247173300201
Energy: 0.84746899381273
Energy: 0.8442997412951109
Energy: 0.85065954836757
Energy: 0.8476703048526446
Energy: 1.2063987840467296
Energy: 0.8434631766133754
Energy: 0.844284760372601
Energy: 0.8443137537129637
Energy: 0.8429615008432028
Energy: 0.8490449233080567
Energy: 1.2447546636515192
Energy: 0.8457245434197636
Energy: 0.8457774645433224
Energy: 0.8514587296546797
Energy: 0.8449576992433023
Energy: 0.8493619396343732
Energy: 0.931543280358593
Energy: 0.8449015226772509
Energy: 0.8441700746938351
Energy: 0.8502862904105281
Energy: 0.8458535160920722
Energy: 0.8550303767558919
Energy: 0.9306456676877175
Energy: 0.8347963801343087
Energy: 0.8338314266972394
Energy: 0.8502887140933805
Energy: 0.8324036826485
Energy: 0.8338687029088716
Energy: 0.9879879412156634
Energy: 0.8204103902474669
Energy: 0.8219589408880424
Energy: 0.8997217794351048
Energy: 0.8187646765776105
Energy: 0.8514668325431931
Energy: 0.8830029452887014
Energy: 0.8325130348980747
Energy: 0.8440182646548071
Energy: 0.8449325564127291
Energy: 0.8462920767981476
Energy: 0.8436528555815584
Energy: 0.882019449999983
Energy: 0.8316893048046266
Energy: 0.8317957607736198
Energy: 0.8469106612548581
Energy: 0.8320931859391058
Energy: 0.8317531463714377
Energy: 0.8902521127094212
Energy: 0.8404970917619689
Energy: 0.8406835911722899
Energy: 0.8701312259366805
Energy: 0.8402878724765136
Energy: 0.8458564359664773
Energy: 0.8902754217808846
Energy: 0.8325909229622963
Energy: 0.8316242538916395
Energy: 0.8674174186876638
Energy: 0.8342821798165342
Energy: 0.8339331058946734
Energy: 0.8904848845928367
Energy: 0.8461986962646784
Energy: 0.8571316025678654
Energy: 0.8679599723611598
Energy: 0.8460085722812345
Energy: 0.8580502577125394
Energy: 1.101857233568841
Energy: 0.8473508913187033
Energy: 0.8442507836389841
Energy: 0.8572042007932962
Energy: 0.8463010189981243
Energy: 0.8499755144512356
Energy: 1.0444135306683877
Energy: 0.8469451597568237
Energy: 0.8465653478731117
Energy: 0.8468269478250965
Energy: 0.8484127024331238
Energy: 0.8463543108538003
Energy: 1.043931935951492
Energy: 0.8470913309482181
Energy: 0.8464794651072215
Energy: 0.8456974691299174
Energy: 0.8465432441274113
Energy: 0.8459138948311837
Energy: 1.3229860142409033
Energy: 0.8469024868298879
Energy: 0.8472987068069793
Energy: 0.8457073376678526
Energy: 0.8468925003147486
Energy: 0.8462853333172518
Energy: 1.3106077111194478
Energy: 0.8499845289829491
Energy: 0.8364717295167661
Energy: 0.8204317915001688
Energy: 0.8601530049952324
Energy: 0.8365501607304037
Energy: 1.2809541288611164
Energy: 0.8688162083165966
Energy: 0.8559249508241642
Energy: 0.8445155031336935
Energy: 0.8667929457658142
Energy: 0.8478213486829679
Energy: 1.3077243144820705
Energy: 0.83296468635646
Energy: 0.8319663712196053
Energy: 0.8186132472763294
Energy: 0.828590377814292
Energy: 0.8327930798962564

minimum gb energy = 0.8186132472763294 eV
minimum distance =  2.36970089495887 Angstroms
sigma value = 33


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

Energy: 1.5211052677874988
Energy: 0.9267987224586338
Energy: 0.9230920997021377
Energy: 0.9285876945100109
Energy: 0.9338904678473834
Energy: 0.9231211021865969
Energy: 1.2617471918953316
Energy: 0.9007024665084656
Energy: 0.887112533202293
Energy: 0.8900692227994117
Energy: 0.9006137057390846
Energy: 0.873437339554323
Energy: 1.2444521563735407
Energy: 0.9007337007727036
Energy: 0.8844183525703204
Energy: 0.8773022127899226
Energy: 0.9006209438813924
Energy: 0.8909149535317031
Energy: 1.2774714914072793
Energy: 0.8955774865191257
Energy: 0.8954432639023093
Energy: 0.8733056936993876
Energy: 0.8953138900124697
Energy: 0.8731406270065595
Energy: 1.3534079632890712
Energy: 0.9006280195703957
Energy: 0.8857594772589368
Energy: 0.8847865005584672
Energy: 0.8997352294669405
Energy: 0.8856285839153887
Energy: 1.2291684263028395
Energy: 0.8993779570880591
Energy: 0.8907747748216858
Energy: 0.8908134049784737
Energy: 0.9000742631011414
Energy: 0.8913419847583769
Energy: 1.2273847993051898
Energy: 0.8584765024347477
Energy: 0.8582920065570052
Energy: 0.8909703555965665
Energy: 0.8678885157494098
Energy: 0.8583428014152888
Energy: 1.1433494412077114
Energy: 0.8745216891854936
Energy: 0.8748258982438534
Energy: 0.879889920313475
Energy: 0.8746150594016819
Energy: 0.8747581247302368
Energy: 0.9600802114550852
Energy: 0.8741464231601571
Energy: 0.8648840690609892
Energy: 0.8950342253107397
Energy: 0.873242228680835
Energy: 0.8659183698810934
Energy: 0.9598219702097254
Energy: 0.8662602703686557
Energy: 0.8680211122089709
Energy: 0.87566813852548
Energy: 0.8659638510797811
Energy: 0.868047854731303
Energy: 0.9941935473913802
Energy: 0.8499707041437377
Energy: 0.8501200821278275
Energy: 0.9156011239445804
Energy: 0.851134880220791
Energy: 0.8501167301141387
Energy: 0.901860248287138
Energy: 0.8601791424621424
Energy: 0.868610116433502
Energy: 0.8695140276756522
Energy: 0.8600803579777028
Energy: 0.8688727680906252
Energy: 0.9016284942909518
Energy: 0.8704675692817062
Energy: 0.8667768946397588
Energy: 0.8853832551841989
Energy: 0.8672657918609724
Energy: 0.8720270347991556
Energy: 1.080564194292331
Energy: 0.873197284194961
Energy: 0.8735009738454659
Energy: 0.8919002310200371
Energy: 0.8731751115954736
Energy: 0.8635672020676015
Energy: 0.9780748652071607
Energy: 0.8662647507545145
Energy: 0.8676792992521651
Energy: 0.8951636600812931
Energy: 0.8653002553358191
Energy: 0.867732942847285
Energy: 0.9852919275132871
Energy: 0.8978371045853069
Energy: 0.8960818562906545
Energy: 0.9037170807134137
Energy: 0.8988863789363375
Energy: 0.8962001576198492
Energy: 1.2667032897423172
Energy: 0.881386301012364
Energy: 0.8716787525461026
Energy: 0.8799802062683729
Energy: 0.8784315920739154
Energy: 0.8717828055854264
Energy: 1.046829758734187
Energy: 0.8823559353820258
Energy: 0.8951524156713804
Energy: 0.8746442547903861
Energy: 0.8941749789929925
Energy: 0.8750384632847968
Energy: 1.0521627963282698
Energy: 0.8832923496796967
Energy: 0.8831860622691372
Energy: 0.8750263425775977
Energy: 0.8840480773261762
Energy: 0.8812392038121882
Energy: 1.3268554455010164
Energy: 0.8685261859689882
Energy: 0.875163312055231
Energy: 0.8631714870340059
Energy: 0.8911693530747525
Energy: 0.8670121629053094
Energy: 1.4506076814147906
Energy: 0.8789161584950048
Energy: 0.8497777945208448
Energy: 0.8506113801839608
Energy: 0.8796546800224835
Energy: 0.8493901688255778
Energy: 1.3263630508370088
Energy: 0.8751911598449597
Energy: 0.8766192858349479
Energy: 0.8599113013942009
Energy: 0.8756611124609772
Energy: 0.8761013109143063
Energy: 1.1632870249775706
Energy: 0.8874046932053723
Energy: 0.8834945236598037
Energy: 0.8785077863546388
Energy: 0.8749460138929226
Energy: 0.8749426379831762
Energy: 1.2770518063322718
Energy: 0.8876087532410578
Energy: 0.8892166159294203
Energy: 0.8701441090769216
Energy: 0.9552855093332362
Energy: 0.9040681765823987
Energy: 1.1628239326415826
Energy: 0.8801694581843232
Energy: 0.8841931473301142
Energy: 0.8697349603638878
Energy: 0.8985543369518875
Energy: 0.8713604644763892
Energy: 1.2370058423863712
Energy: 0.9024880574062207
Energy: 0.8613498461866251
Energy: 0.8907882213111562
Energy: 0.9029968271314734
Energy: 0.8608961793954086
Energy: 1.2365773888743279
Energy: 0.8615527789549754
Energy: 0.8612575203147846
Energy: 0.862040593613305
Energy: 0.869355234485907
Energy: 0.8609006583476033
Energy: 1.2369737157509588
Energy: 0.8748859006579475
Energy: 0.8750587404505235
Energy: 0.8801288213002393
Energy: 0.8749084162462778
Energy: 0.8751099014579209
Energy: 0.9583117065059782
Energy: 0.8748148385478147
Energy: 0.8751507924188842
Energy: 0.8794566005770634
Energy: 0.8748529057763753
Energy: 0.8680565285889931
Energy: 0.9586500536555095
Energy: 0.8659457658101747
Energy: 0.8671200827672214
Energy: 0.8717915672323876
Energy: 0.866071062697896
Energy: 0.8697458826714791
Energy: 1.1325568829735329
Energy: 0.8493329901219492
Energy: 0.849251320475235
Energy: 0.8683085592536974
Energy: 0.8488506768995452
Energy: 0.8494905826887931
Energy: 0.9031036883189771
Energy: 0.8596640613800468
Energy: 0.8548763022622776
Energy: 0.872494633841446
Energy: 0.8594114475099134
Energy: 0.8723907508440594
Energy: 0.903344285964243
Energy: 0.8671053369652895
Energy: 0.8660394905299719
Energy: 0.8877030235698453
Energy: 0.8616638265520588
Energy: 0.8690797191673044
Energy: 0.9035818657041502
Energy: 0.8731382300445073
Energy: 0.8724767931135878
Energy: 0.8815355958018665
Energy: 0.8703214608666292
Energy: 0.8632305763089045
Energy: 0.9679994324325377
Energy: 0.8617883148569255
Energy: 0.8626611019185467
Energy: 0.879800387829435
Energy: 0.8617993027905507
Energy: 0.8627080533065614
Energy: 0.9677958019254218
Energy: 0.887638590393123
Energy: 0.8907594661782365
Energy: 0.8941907840114548
Energy: 0.8881659477203353
Energy: 0.8899562239624653
Energy: 0.9679999585420637
Energy: 0.8857655320498186
Energy: 0.8922023909356016
Energy: 0.8992103715926615
Energy: 0.892400360648118
Energy: 0.8906918794605035
Energy: 1.0523458775524193
Energy: 0.8858618227707602
Energy: 0.8954981127658165
Energy: 0.8745913089492345
Energy: 0.8960404383136905
Energy: 0.8958012082800834
Energy: 1.0465823787905466
Energy: 0.8983660282376279
Energy: 0.8954087137813074
Energy: 0.8745987197939037
Energy: 0.900397818509524
Energy: 0.8749299676118083
Energy: 1.3539644220916522
Energy: 0.9007833410551804
Energy: 0.8841363364876756
Energy: 0.8952798432097706
Energy: 0.9011612339915092
Energy: 0.8888038838879068
Energy: 1.3257309293242856
Energy: 0.9019299519483852
Energy: 0.8655243871948882
Energy: 0.8742353102073673
Energy: 0.8842675944620026
Energy: 0.849783807621661

minimum gb energy = 0.8488506768995452 eV
minimum distance =  2.35285104180624 Angstroms
sigma value = 51


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

Energy: 1.357904227282435
Energy: 0.978331080588981
Energy: 0.9834146132727226
Energy: 0.9046581201067502
Energy: 1.0011355793124084
Energy: 0.9033507521583801
Energy: 1.1351534865820605
Energy: 0.8961304409101284
Energy: 0.8936851132965717
Energy: 0.8532535957673745
Energy: 0.896182946925661
Energy: 0.8921143241091977
Energy: 1.230607532584445
Energy: 0.8962282622171299
Energy: 0.8881563605009415
Energy: 0.8790360249710751
Energy: 0.896595129700406
Energy: 0.8793705956198581
Energy: 1.2258745399432205
Energy: 0.8963069699159761
Energy: 0.8846287980208081
Energy: 0.8737763678423318
Energy: 0.8960272561562004
Energy: 0.8739322494242268
Energy: 1.1349038650109708
Energy: 0.898426537515285
Energy: 0.8989303250464993
Energy: 0.9132709132877761
Energy: 0.898057955282014
Energy: 0.8544457899687664
Energy: 1.0155809029834826
Energy: 0.8980044357115544
Energy: 0.8987315384569916
Energy: 0.8982374533658385
Energy: 0.8980185872697756
Energy: 0.8974208218117866
Energy: 1.0157754540857125
Energy: 0.8526481262485693
Energy: 0.8532266382603729
Energy: 0.89717393711783
Energy: 0.8526554348785937
Energy: 0.9090131880597067
Energy: 0.9279651525247085
Energy: 0.8556312908270775
Energy: 0.8555178330890368
Energy: 0.8956223089941869
Energy: 0.8553249031807215
Energy: 0.8550048738783594
Energy: 0.8957297723063161
Energy: 0.855115611662139
Energy: 0.8550266363639065
Energy: 0.8955846280268892
Energy: 0.8553429654703508
Energy: 0.8785926516022055
Energy: 0.8957346639676397
Energy: 0.8697819149737755
Energy: 0.8775694683245522
Energy: 0.895860489975388
Energy: 0.8698117580524788
Energy: 0.8924297288987998
Energy: 0.8968447134284437
Energy: 0.8836694605925435
Energy: 0.8843111830796874
Energy: 0.8968507866701368
Energy: 0.880468313012356
Energy: 0.8839304411022428
Energy: 0.9091228077188928
Energy: 0.8693066728419556
Energy: 0.8700592101275026
Energy: 0.8637637289057356
Energy: 0.8630496844042281
Energy: 0.8921818538644251
Energy: 0.9086529564056809
Energy: 0.8717086013723991
Energy: 0.870985832390308
Energy: 0.8856939955133292
Energy: 0.8803527280631583
Energy: 0.8862229103301201
Energy: 0.909116153077465
Energy: 0.8755731857412264
Energy: 0.8761038620958392
Energy: 0.9043196366097953
Energy: 0.8756824673327264
Energy: 0.8761324171479301
Energy: 1.090165468614034
Energy: 0.8881562614366076
Energy: 0.8883907806541973
Energy: 0.8877698781474562
Energy: 0.8892921924418483
Energy: 0.876770956672318
Energy: 1.0900824801068427
Energy: 0.8881492108035127
Energy: 0.8882153823376243
Energy: 0.8948750908358662
Energy: 0.8882974646921095
Energy: 0.8875945762244225
Energy: 1.13481836135612
Energy: 0.888613854051151
Energy: 0.8879932615557228
Energy: 0.8978004977793624
Energy: 0.8890768817582122
Energy: 0.8674396796081438
Energy: 1.3609457168790513
Energy: 0.89661591671723
Energy: 0.9051193719164364
Energy: 0.855885384676485
Energy: 0.8964813486320801
Energy: 0.8075994559757214

minimum gb energy = 0.8075994559757214 eV
minimum distance =  2.35321595580532 Angstroms
sigma value = 19


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

Energy: 1.137503360946226
Energy: 0.8080120911101983
Energy: 0.8308498607057766
Energy: 0.9564903430069753
Energy: 0.8065370259091975
Energy: 0.955708625008569
Energy: 0.966228974859182
Energy: 0.8068842377738479
Energy: 0.8069020720125183
Energy: 0.8376250874436451
Energy: 0.8071036862660318
Energy: 0.8068828106583593
Energy: 0.965690155260138
Energy: 0.806754316456262
Energy: 0.8068484732089329
Energy: 0.837544682511666
Energy: 0.806846575433728
Energy: 0.8068473842392359
Energy: 0.9608862572097092
Energy: 0.806615056991101
Energy: 0.8067136587806015
Energy: 0.8357276399352158
Energy: 0.8066747208043626
Energy: 0.8067106112031488
Energy: 0.9652892077718941
Energy: 0.8065925804108773
Energy: 0.8378703941362239
Energy: 0.8379511583941168
Energy: 0.8065453701382563
Energy: 0.8373144547594582
Energy: 0.9657915906669701
Energy: 0.782681292421133
Energy: 0.8367806674395631
Energy: 0.8382633139359369
Energy: 0.782574760585279
Energy: 0.837720209400856
Energy: 0.9654152843323918
Energy: 0.8376210845148362
Energy: 0.83749480865014
Energy: 0.8380731785584536
Energy: 0.7907056125041553
Energy: 0.8378025677592578
Energy: 0.9189275625965627
Energy: 0.7828392229075987
Energy: 0.7826461505780984
Energy: 0.8065239979908794
Energy: 0.7828220726118185
Energy: 0.782836891098468
Energy: 0.8070792457856396
Energy: 0.7827969170039772
Energy: 0.7829855908001127
Energy: 0.8070537234227354
Energy: 0.7827710404592544
Energy: 0.782892488037777
Energy: 0.8066477458548921
Energy: 0.8067570650000323
Energy: 0.8068140549931925
Energy: 0.8067477479093345
Energy: 0.8383263151003383
Energy: 0.8069932616533962
Energy: 0.8069044515720285
Energy: 0.8772500555320365
Energy: 0.8352901844756906
Energy: 0.8066269954354764
Energy: 0.8776514100372522
Energy: 0.8069635211837124
Energy: 0.9664431862243295
Energy: 0.8375138279239976
Energy: 0.8375616910497908
Energy: 0.8068375162726399
Energy: 0.8377321702513484
Energy: 0.8068111565612331
Energy: 0.782514500281921
Energy: 0.8377898056987343
Energy: 0.8374926842565938
Energy: 0.782566002514369
Energy: 0.8379763707389732
Energy: 0.8378929903535116
Energy: 0.9679909473966637
Energy: 0.8377891126022989
Energy: 0.8381158226142404
Energy: 0.8069384687867037
Energy: 0.8383495199169213
Energy: 0.8382449617466143
Energy: 1.139772007060832
Energy: 0.8067734341730974
Energy: 0.8067052549485042
Energy: 0.7827632979127068
Energy: 0.8069541249882572
Energy: 0.7830757217369382
Energy: 1.140195475240096
Energy: 0.8068222572214917
Energy: 0.7829214825130064
Energy: 0.7829457895012379
Energy: 0.8064987015984086
Energy: 0.78274069455005
Energy: 0.9652722565901822
Energy: 0.8070069400648012
Energy: 0.8069468574551677
Energy: 0.8379329036061682
Energy: 0.8067250523853766
Energy: 0.8068981328660695
Energy: 0.9598496169846755
Energy: 0.8066879388337953
Energy: 0.8067042809469297
Energy: 0.8358333011309722
Energy: 0.8066405915876391
Energy: 0.8067323425403411
Energy: 0.9598163474812603
Energy: 0.8067809313888812
Energy: 0.8067356656147604
Energy: 0.8550657680795052
Energy: 0.8067105023439749
Energy: 0.806877151376874
Energy: 0.9668833880187924
Energy: 0.7826647656515775
Energy: 0.8377684291889147
Energy: 0.8378380285372078
Energy: 0.7825936706201786
Energy: 0.8365683885789219
Energy: 0.9643249208267318
Energy: 0.8376518819787492
Energy: 0.838258382662226
Energy: 0.8394003313330854
Energy: 0.8066449517015519
Energy: 0.8378425085970375
Energy: 0.9658564522549374
Energy: 0.8378001306194578
Energy: 0.8374454310397966
Energy: 0.8381796494297843
Energy: 0.8378299466305104
Energy: 0.8374723571239717
Energy: 0.9192743116336776
Energy: 0.7827970818179321
Energy: 0.7831757977938556
Energy: 0.9187458400209658
Energy: 0.7826925908607131
Energy: 0.7831513836051243
Energy: 0.806737397139521
Energy: 0.8069395708385457
Energy: 0.8068649408715233
Energy: 0.8067230935798735
Energy: 0.8245447115078005
Energy: 0.8069397301972516
Energy: 0.8069562985529896
Energy: 0.8070164150997993
Energy: 0.8068991741883199
Energy: 0.8068730303248756
Energy: 0.8379084176191397
Energy: 0.8069458026209493
Energy: 0.9196118958515894
Energy: 0.8356428510088973
Energy: 0.8351348908793382
Energy: 0.8067116445635203
Energy: 0.8353469224358703
Energy: 0.8067184006166541
Energy: 0.9663444914011609
Energy: 0.8377246224604461
Energy: 0.8374173288814688
Energy: 0.8064695537291781
Energy: 0.8378188967204526
Energy: 0.8373261727549524
Energy: 0.7825858231704037
Energy: 0.8378414876313903
Energy: 0.8381754613030703
Energy: 0.7826108601135455
Energy: 0.8380199693830562
Energy: 0.8361406102606669
Energy: 0.9194870861464417
Energy: 0.8377834414495089
Energy: 0.8383191260671542
Energy: 0.7907638497648872
Energy: 0.8379541434402502
Energy: 0.8367765662410598
Energy: 1.1402254689844384
Energy: 0.8066550649628645
Energy: 0.7828947879254717
Energy: 0.7831985874559242
Energy: 0.8066147966147381
Energy: 0.7828403724830074

minimum gb energy = 0.782514500281921 eV
minimum distance =  2.39808199040899 Angstroms
sigma value = 27


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

Energy: 0.9660175741314564
Energy: 0.8293191227839082
Energy: 0.9631371381440123
Energy: 0.8666030006370776
Energy: 0.8293199134908625
Energy: 0.9638726620939606
Energy: 0.9672793162039529
Energy: 0.829586352844091
Energy: 0.8295365293034552
Energy: 0.8027197449702115
Energy: 0.8295765993992497
Energy: 0.8297288093072792
Energy: 0.8763166439451763
Energy: 0.8296257159329486
Energy: 0.8296061088921298
Energy: 0.8017086323285559
Energy: 0.8296458074050431
Energy: 0.8299331384891901
Energy: 0.8763598741678075
Energy: 0.8297529644017974
Energy: 0.7892329841480987
Energy: 0.8161000717521433
Energy: 0.8297131258864445
Energy: 0.7890784490763183
Energy: 0.9665663578899764
Energy: 0.7763901123976091
Energy: 0.7878379234702834
Energy: 0.8297929702502648
Energy: 0.7758316638163172
Energy: 0.7896830429272721
Energy: 0.8310682595095003
Energy: 0.867652986251286
Energy: 0.776635880595418
Energy: 0.8312479839753127
Energy: 0.8675495902183159
Energy: 0.7767408047756517
Energy: 0.8300504821753588
Energy: 0.7895334669758646
Energy: 0.7888889068399828
Energy: 0.8295555406700134
Energy: 0.7896997899185342
Energy: 0.7890922999062303
Energy: 0.877249708461344
Energy: 0.7857591873593986
Energy: 0.7835407460228321
Energy: 0.8302884925201893
Energy: 0.7852722987654742
Energy: 0.8274723603119877
Energy: 0.8765824625087103
Energy: 0.783770741559549
Energy: 0.7887623432200919
Energy: 0.8295355988504707
Energy: 0.8135527777589274
Energy: 0.7888592172468937
Energy: 0.876590791437642
Energy: 0.8165383627442624
Energy: 0.8167648474371516
Energy: 0.8316421882932316
Energy: 0.8180770463818564
Energy: 0.8181942137258543
Energy: 0.8765177186500395
Energy: 0.8295082097031399
Energy: 0.830225534309549
Energy: 0.8309494809036938
Energy: 0.8279412704304617
Energy: 0.8332121005351543
Energy: 0.9681616874180728
Energy: 0.8303999443906808
Energy: 0.789040432601395
Energy: 0.8023387120238388
Energy: 0.8300439837517712
Energy: 0.7888758564256036

minimum gb energy = 0.7758316638163172 eV
minimum distance =  2.38255526963456 Angstroms
sigma value = 9


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

Energy: 1.438338193296189
Energy: 1.0012139343992887
Energy: 0.8221305951908396
Energy: 1.1775034696853834
Energy: 1.0011155857201497
Energy: 0.9761364962594593
Energy: 0.7470600287095016
Energy: 0.7282748570209536
Energy: 0.7285528845936596
Energy: 0.7190434637356352
Energy: 0.7284916529420022
Energy: 0.7238271425586691
Energy: 0.7478788319709656
Energy: 0.7296073914284535
Energy: 0.7291635280273657
Energy: 0.7428919026754073
Energy: 0.7295672643396459
Energy: 0.7408038809489519
Energy: 0.747766613284124
Energy: 0.6977857050441943
Energy: 0.743417121271956
Energy: 0.7285287223665858
Energy: 0.7250511728042351
Energy: 0.7273410616743257
Energy: 1.004733824216176
Energy: 0.7096193086673681
Energy: 0.6973440622397578
Energy: 0.752620808824188
Energy: 0.7206461495514572
Energy: 0.7015088299614771
Energy: 0.7522247039044019
Energy: 0.7126993971897516
Energy: 0.6917114463399189
Energy: 0.7522773456479595
Energy: 0.7111012653504794
Energy: 0.7730121165772255
Energy: 0.752203748378249
Energy: 0.7009695645796209
Energy: 0.7005181313305443
Energy: 0.7532207453377664
Energy: 0.7006033211085788
Energy: 0.752551159880399
Energy: 0.7525208554764662
Energy: 0.7339860641872965
Energy: 0.7009106009824403
Energy: 0.7526093896791838
Energy: 0.7271678571267561
Energy: 0.7687290230874042
Energy: 1.022673264147938
Energy: 0.7369760467026998
Energy: 0.7488025548671267
Energy: 0.7602017656988003
Energy: 0.7374363487681748
Energy: 0.7289423918492343
Energy: 0.6945712470536478
Energy: 0.7275839917081144
Energy: 0.7781536031015769
Energy: 0.715143152805941
Energy: 0.7372863496379599
Energy: 0.6895758849789725
Energy: 0.694428207610327
Energy: 0.7522484786081923
Energy: 0.7523100921144885
Energy: 0.7262297485913773
Energy: 0.7524347691923642
Energy: 0.6987812542018262
Energy: 0.8843771351721956
Energy: 0.7521856525485733
Energy: 0.7521163982053548
Energy: 0.7140716950507952
Energy: 0.7523295578013944
Energy: 0.7809978676914612
Energy: 1.2708304771605137
Energy: 0.7606306835581581
Energy: 0.8448597878075939
Energy: 0.7554980167997842
Energy: 0.8429514939569037
Energy: 0.714788780671686
Energy: 0.8842440295693076
Energy: 0.7520255700284689
Energy: 0.7450133994500705
Energy: 0.7145070006476821
Energy: 0.7525794299772811
Energy: 0.7450799710429706
Energy: 0.7281750372317167
Energy: 0.7395128434248737
Energy: 0.7387504948639263
Energy: 0.7285049900849807
Energy: 0.7383952770068508
Energy: 0.7431978915014607
Energy: 0.7282975849635515
Energy: 0.7241053708370084
Energy: 0.722210238105487
Energy: 0.7286488410739039
Energy: 0.7390313955641047
Energy: 0.7290923535763035
Energy: 0.7282120937918711
Energy: 0.6987405925504537
Energy: 0.7001061249688799
Energy: 0.7283995634464941
Energy: 0.7119194500520352
Energy: 0.7383552807372584
Energy: 0.8489691881866618
Energy: 0.7135365313454384
Energy: 0.6988660935387795
Energy: 0.7297097440483166
Energy: 0.7225799429585104
Energy: 0.7766888308004306
Energy: 0.7484647986922472
Energy: 0.7201086931131861
Energy: 0.7301706948516824
Energy: 0.7290282186047387
Energy: 0.7193042872967575
Energy: 0.7200938991234977
Energy: 0.747182601107797
Energy: 0.7198350166549292
Energy: 0.722199101949891
Energy: 0.719094180717776
Energy: 0.7186073475241953
Energy: 0.7177879619094201
Energy: 0.7476842240489748
Energy: 0.7422544928680083
Energy: 0.7398145441961818
Energy: 0.7415823086241004
Energy: 0.7296830186982505
Energy: 0.7210572650471941
Energy: 0.8063300008947925
Energy: 0.7288581404651047
Energy: 0.7539738618786651
Energy: 0.7203827379392054
Energy: 0.7290653973868533
Energy: 0.6905527414710371
Energy: 0.8065865054017881
Energy: 0.7283204638329407
Energy: 0.7293081773320321
Energy: 0.7201108852232522
Energy: 0.7284458255724396
Energy: 0.70002324176256
Energy: 0.7470274807746642
Energy: 0.7295635836030452
Energy: 0.7298115947034888
Energy: 0.7417782905093315
Energy: 0.7291510647329495
Energy: 0.7426402249948668
Energy: 0.9502734824826214
Energy: 0.6961846872868859
Energy: 0.7571923976687951
Energy: 0.841437443697253
Energy: 0.7286470729132017
Energy: 0.7393040887189947
Energy: 0.7473797915308064
Energy: 0.7137084451029084
Energy: 0.7007523418611978
Energy: 0.7527935993820574
Energy: 0.7136902265077507
Energy: 0.7450051909118448
Energy: 0.6971522576939918
Energy: 0.9375894238299223
Energy: 0.8321525242901627
Energy: 0.697262633051468
Energy: 0.9377388311015654
Energy: 0.6970242789312855
Energy: 0.7522369709018273
Energy: 0.7008885609777041
Energy: 0.7010440234607173
Energy: 0.7521731542410514
Energy: 0.7141117897650713
Energy: 0.7376749735961023
Energy: 0.7523572322698913
Energy: 0.7153571367353073
Energy: 0.6987306952260939
Energy: 0.7524079024840751
Energy: 0.7260090881110539
Energy: 0.7524854790000173
Energy: 0.750977677942382
Energy: 0.733553558272288
Energy: 0.6986179547069287
Energy: 0.7593166143068135
Energy: 0.7271502580707195
Energy: 0.6971506027666444
Energy: 0.6943983187252363
Energy: 0.7704441996538509
Energy: 0.7758416597412211
Energy: 0.7270536061335918
Energy: 0.7529267732335898
Energy: 0.7387856501141187
Energy: 0.698781484225673
Energy: 0.7522754553137154
Energy: 0.7526311981632587
Energy: 0.7157882110134428
Energy: 0.7523502396900995
Energy: 0.690450638325565
Energy: 0.8838922028668657
Energy: 0.7525095315681658
Energy: 0.752510054239071
Energy: 0.7463537597634081
Energy: 0.7530515492851456
Energy: 0.7695487818104131
Energy: 0.7518422819853272
Energy: 0.7522136387149501
Energy: 0.7523010264043175
Energy: 0.7252549017735409
Energy: 0.7520392727301526
Energy: 0.6929027423207472
Energy: 0.7515577300384826
Energy: 0.7522728675858956
Energy: 0.7820397197693526
Energy: 0.7242858432807645
Energy: 0.7524399420017479
Energy: 0.7012344365222553
Energy: 0.7537723543137939
Energy: 0.7371694936448507
Energy: 0.7248196897261102
Energy: 0.7477043890287246
Energy: 0.7369491032149497
Energy: 0.7419129561666916
Energy: 0.7303778133736339
Energy: 0.7404104700528106
Energy: 0.7237285145485732
Energy: 0.7293874989140969
Energy: 0.7368791273666477
Energy: 0.7289414182552855
Energy: 0.7287556497371916
Energy: 0.7187838749045442
Energy: 0.7181817546889963
Energy: 0.7286152914039038
Energy: 0.7180592502159625
Energy: 0.7292091257663614
Energy: 0.7286670578858878
Energy: 0.8135391493955617
Energy: 0.7508753735952629
Energy: 0.7290336721564156
Energy: 0.7579688863366495
Energy: 0.777044728920134
Energy: 0.7472216254379602
Energy: 0.7186960490080311
Energy: 0.718244807048118
Energy: 0.728628726905724
Energy: 0.7179743710058065
Energy: 0.727266231125565
Energy: 0.7452976599789148
Energy: 0.738623781864853
Energy: 0.716989670072537
Energy: 0.7155159518526218
Energy: 0.7224824669333507
Energy: 0.7215574989992476
Energy: 0.7482283418155521
Energy: 0.720195955432026
Energy: 0.7233167655591483
Energy: 0.7270815095855991
Energy: 0.7189627577327229
Energy: 0.7228838753494412
Energy: 0.8067248836590858
Energy: 0.7285047440272049
Energy: 0.7269514825248338
Energy: 0.7201105519402036
Energy: 0.728387927000895
Energy: 0.7001775166393545

minimum gb energy = 0.6895758849789725 eV
minimum distance =  2.4003382271282 Angstroms
sigma value = 57


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

Energy: 0.37036355896803785
Energy: 0.4118107908021407
Energy: 0.3737714823051164
Energy: 0.3732483192792674
Energy: 0.41160673721963326
Energy: 0.422629752843686
Energy: 0.4483052061700909
Energy: 0.39139620098294114
Energy: 0.43316771865413267
Energy: 0.41090161703124584
Energy: 0.39055392825677016
Energy: 0.4300811982611391
Energy: 0.4512502457717129
Energy: 0.4162369432831895
Energy: 0.43492698461113366
Energy: 0.41236123158453897
Energy: 0.4121501780632073
Energy: 0.4324118441998831
Energy: 0.451217733120089
Energy: 0.4166192892510179
Energy: 0.4368195501835362
Energy: 0.38984055725097233
Energy: 0.4124094470379553
Energy: 0.43187089904141857
Energy: 0.44779198515080026
Energy: 0.40957632862448595
Energy: 0.37405958199968947
Energy: 0.41269804816879146
Energy: 0.3718625549638898
Energy: 0.4314467515427857
Energy: 0.41236671577679107
Energy: 0.37211175827668963
Energy: 0.3753513821291416
Energy: 0.3882559008809615
Energy: 0.3715135831189204
Energy: 0.427731761756582
Energy: 0.4081537923781077
Energy: 0.3933623950243097
Energy: 0.43463652752937854
Energy: 0.4095110682453694
Energy: 0.38861477359237967
Energy: 0.4324347032658386
Energy: 0.4119589060805557
Energy: 0.39570031454274834
Energy: 0.4350878534727811
Energy: 0.41197159577366194
Energy: 0.3895959366325237
Energy: 0.4319641044172937
Energy: 0.4480086460978817
Energy: 0.38425652664500526
Energy: 0.43419369474100256
Energy: 0.41196802930130993
Energy: 0.41264930515230147
Energy: 0.4346267596441142
Energy: 0.3714503772233733
Energy: 0.43323084433603565
Energy: 0.3735612629928466
Energy: 0.3714641485730565
Energy: 0.41352592014193273
Energy: 0.42532180648212564
Energy: 0.37153789390471004
Energy: 0.41672536081220884
Energy: 0.41802504680016106
Energy: 0.3716130555637147
Energy: 0.3884310630043244
Energy: 0.3737910104244908
Energy: 0.45083384603146365
Energy: 0.3896463373682252
Energy: 0.4302668685329337
Energy: 0.3883515682952891
Energy: 0.41170915208473297
Energy: 0.4299650975138449
Energy: 0.4510707224259415
Energy: 0.38885621798318937
Energy: 0.38878006657613906
Energy: 0.43868509449293
Energy: 0.45111822994164846
Energy: 0.3890671077422885
Energy: 0.44922182710074926
Energy: 0.38924417380867565
Energy: 0.4315422518044136
Energy: 0.4115362069377252
Energy: 0.41182540365752146
Energy: 0.4304907181170379
Energy: 0.4516072994891183
Energy: 0.37171385354441877
Energy: 0.42017022133961157
Energy: 0.3887747628761153
Energy: 0.3713735057946924
Energy: 0.4242738125061274
Energy: 0.41093741166693576
Energy: 0.4168756415276988
Energy: 0.4304553752562519
Energy: 0.41173845291216704
Energy: 0.37179565601027037
Energy: 0.43130313138827847
Energy: 0.4119776530408303
Energy: 0.42973510943385157
Energy: 0.431728825368124
Energy: 0.41201541106592354
Energy: 0.39100614639411513
Energy: 0.43498532546350277
Energy: 0.45103596111213784
Energy: 0.39640638527259875
Energy: 0.43263950643457344
Energy: 0.45102844364946426
Energy: 0.38990888893750225
Energy: 0.43248695070779414
Energy: 0.37152828878126937
Energy: 0.39457665465683833
Energy: 0.43516648734114044
Energy: 0.3717221419046274
Energy: 0.38898513604535323
Energy: 0.4320130923764651

minimum gb energy = 0.37036355896803785 eV
minimum distance =  2.44813723640857 Angstroms
sigma value = 11


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

Energy: 1.1389848105840679
Energy: 0.7199231375014636
Energy: 0.727299160674597
Energy: 0.9587554249825749
Energy: 0.7198705632568988
Energy: 1.1597453477326658
Energy: 0.6666489106532665
Energy: 0.6248988223159865
Energy: 0.6189457081200953
Energy: 0.6097254969137533
Energy: 0.5898449854660307
Energy: 0.5979403084094983
Energy: 0.5903633006870562
Energy: 0.5914769030565478
Energy: 0.5905905972797836
Energy: 0.591692901587098
Energy: 0.605835096425427
Energy: 0.5980468307056518
Energy: 0.59020800790416
Energy: 0.6211765659198301
Energy: 0.5968047687321305
Energy: 0.5912528007488143
Energy: 0.6006526984903409
Energy: 0.6118380762174598
Energy: 0.5904082342578482
Energy: 0.7073273205233418
Energy: 0.6447031925083948
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Energy: 0.667552076688766
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Energy: 0.6522909784321079
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Energy: 0.6614673421898832
Energy: 0.7078182863954621
Energy: 0.7070492837508603
Energy: 0.7883902987986935
Energy: 0.9055149954397372
Energy: 0.8549276686985976
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Energy: 0.9052515054605548
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Energy: 1.011572300870444
Energy: 0.7088483785402637
Energy: 0.7076602015471897
Energy: 0.6080240556268716
Energy: 0.6692652773245449
Energy: 0.7070447469341751
Energy: 0.8439459469198103
Energy: 0.6553042436637967
Energy: 0.5897107596109104
Energy: 0.8070735266386126
Energy: 0.8745508257251431
Energy: 0.5895250579062309
Energy: 1.075765934698479
Energy: 0.651968291631857
Energy: 0.7055338685704217
Energy: 0.6078950177153504
Energy: 0.650277883807435
Energy: 0.7074792200779934
Energy: 0.961063228628984
Energy: 0.5987994887239013
Energy: 0.5992873615599768
Energy: 0.5979959747533836
Energy: 0.6719997836260001
Energy: 0.6738168289125234
Energy: 0.7235226437621751
Energy: 0.6744985908637637
Energy: 0.6717036082752872
Energy: 0.7124255251640511
Energy: 0.8073484393773774
Energy: 0.6715692873253337
Energy: 1.0101720182216438
Energy: 0.7094346778438367
Energy: 0.6449295553569228
Energy: 0.6042140354329699
Energy: 0.7126968990209144
Energy: 0.6453136115211137
Energy: 0.8352176484405266
Energy: 0.7679440465350063
Energy: 0.772904068184345
Energy: 0.7801288650067101
Energy: 0.9610783030636264
Energy: 0.7069338530629748
Energy: 0.6768758294642611
Energy: 0.6744569903510611
Energy: 0.670341242483355
Energy: 0.5912021229004012
Energy: 0.6663876257509254
Energy: 0.6690548781646798
Energy: 0.6651215125407852
Energy: 0.7161613795479652
Energy: 0.6652368661145585
Energy: 0.666018143143052
Energy: 0.5901093509448498
Energy: 0.6657489073037542
Energy: 0.663896751239572
Energy: 0.6031009915419319
Energy: 0.6344928572003721
Energy: 0.6764397426065908
Energy: 0.5915494058746549
Energy: 0.5905382720614339
Energy: 0.9888203429688469
Energy: 0.6072412171109499
Energy: 0.5914326995284781
Energy: 0.5914536092105528
Energy: 0.6198082393488046
Energy: 0.5749681768163817

minimum gb energy = 0.5749681768163817 eV
minimum distance =  2.41160592584378 Angstroms
sigma value = 41


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

Energy: 1.1776840803577615
Energy: 0.7955370962346546
Energy: 0.6592130048088942
Energy: 0.9001922550127238
Energy: 0.7950267150633543
Energy: 0.8989683016018128
Energy: 0.6377111374807537
Energy: 0.6615389675695575
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Energy: 0.6382521022737008
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Energy: 0.7522467555334627
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Energy: 0.6826507686313352
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Energy: 0.6152269990798244
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Energy: 0.6495832696359549
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Energy: 0.7572952800350338
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Energy: 0.7635513595585951
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Energy: 0.6542896452371211
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Energy: 0.648927356456436
Energy: 0.6387951193894515
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Energy: 0.6527006134750473
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Energy: 0.6377197879838633
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Energy: 0.6380243981915772
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Energy: 0.6477430118336622
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Energy: 0.7688430293964356
Energy: 0.7952040678257705
Energy: 0.757018611492714
Energy: 0.7687024540527121
Energy: 0.9089617888534397
Energy: 0.6564578790382382
Energy: 0.6504074777902644
Energy: 0.6403846075366132
Energy: 0.6586247842324688
Energy: 0.6486862606403471
Energy: 0.6569907774572546
Energy: 0.7535021230099421
Energy: 0.7535139977707996
Energy: 0.6827881299329128
Energy: 0.7631761767219654
Energy: 0.6153408493590973
Energy: 0.8520011007036589
Energy: 0.6590988092749346
Energy: 0.6569081129053418
Energy: 0.6520008937776034
Energy: 0.6579602039504558
Energy: 0.6504260088350389
Energy: 0.8469828795907037
Energy: 0.768440331217169
Energy: 0.6588249587452343
Energy: 0.8168848770876193
Energy: 0.7690713674144082
Energy: 0.6463322777208601
Energy: 0.8463681868452834
Energy: 0.768434385604366
Energy: 0.7541815550911385
Energy: 0.814577636948718
Energy: 0.7575102845159021
Energy: 0.7701430778063372
Energy: 1.0315853661944605
Energy: 0.6421899852710597
Energy: 0.6570083891410214
Energy: 0.6542788543751418
Energy: 0.6298836877602895
Energy: 0.6592321947294305
Energy: 0.7580174066188072
Energy: 0.8922987133759404
Energy: 0.887169828337483
Energy: 0.7590009553994129
Energy: 0.8972095675484684
Energy: 0.8869730778226674
Energy: 0.7476866639011748
Energy: 0.6594335920005667
Energy: 0.6543319487063022
Energy: 0.7253510204153758
Energy: 0.6571553174967247
Energy: 0.6510955226401082
Energy: 0.7579758943672512
Energy: 0.7540996086844405
Energy: 0.7586986530205077
Energy: 0.7580947091215191
Energy: 0.7592453702497359
Energy: 0.7579997132440264
Energy: 0.757861894214851
Energy: 0.6595677392500227
Energy: 0.6577947576152352
Energy: 0.7693128156287946
Energy: 0.6392748975625987
Energy: 0.658982256977617
Energy: 1.035644420584665
Energy: 0.669602519770081
Energy: 0.6164760533189737
Energy: 0.9242378473209584
Energy: 0.6673728386704085
Energy: 0.6161872922631045

minimum gb energy = 0.6147900707981578 eV
minimum distance =  2.41267844429096 Angstroms
sigma value = 33


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

Energy: 0.7601854289075658
Energy: 0.9300426973682523
Energy: 1.0550375049809775
Energy: 0.6776293563634775
Energy: 0.9303627581096612
Energy: 1.0659668859056866
Energy: 0.6898878100793272
Energy: 0.7035232931010938
Energy: 0.6864559077893728
Energy: 0.7060255134650002
Energy: 0.6903612859937424
Energy: 0.6833671036144685
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Energy: 0.6842865887471784
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Energy: 0.6918887204279857
Energy: 0.6889062334343087
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Energy: 0.692136429540636
Energy: 0.6846792215229549
Energy: 0.6881514419831695
Energy: 0.6913227108244319
Energy: 0.6622730759231547
Energy: 0.6626109989296265
Energy: 0.709015518656328
Energy: 0.7093426818561247
Energy: 0.6625644833752566
Energy: 0.8894049087527386
Energy: 0.8587520141892859
Energy: 0.6620385620393023
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Energy: 0.8981968311828019
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Energy: 1.0293301674284887
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Energy: 0.7071103521846118
Energy: 0.6917180607680599
Energy: 0.7011791711834574
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Energy: 0.6650950795752754
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Energy: 1.0575999250628492
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Energy: 0.6872060529614399
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Energy: 0.6920450988519908
Energy: 0.706937778740663
Energy: 1.2529569833753353
Energy: 0.6866183770737939
Energy: 0.6600754355373013
Energy: 0.6632743708119484
Energy: 0.8995326443764884
Energy: 0.6830932162666268

minimum gb energy = 0.6598955407321805 eV
minimum distance =  2.43182018521496 Angstroms
sigma value = 67


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

Energy: 1.033427038337958
Energy: 0.7467514131836193
Energy: 0.7335194366516344
Energy: 0.7339213360495075
Energy: 0.7467725180881606
Energy: 0.7335000104109657
Energy: 0.7454999925134839
Energy: 0.7226117515386045
Energy: 0.7221298214284727
Energy: 0.7241780551081005
Energy: 0.7233409992710085
Energy: 0.7219043706319475
Energy: 0.742070250708561
Energy: 0.6937204969937364
Energy: 0.7247810573157797
Energy: 0.7241628797672358
Energy: 0.6948185847682831
Energy: 0.7247866042770165
Energy: 0.7428506751861302
Energy: 0.7232460090266566
Energy: 0.7232914235128028
Energy: 0.7429626692643224
Energy: 0.7231958660256078
Energy: 0.7234981097251455
Energy: 0.7429355942104766
Energy: 0.7240094321412621
Energy: 0.7238060761911642
Energy: 0.7430679876123847
Energy: 0.7234451367703716
Energy: 0.7255072011823147
Energy: 0.7458873673938661
Energy: 0.7378736902508803
Energy: 0.7249712929244386
Energy: 0.7457820207404466
Energy: 0.7376928242470402
Energy: 0.7453454517548053
Energy: 0.7797387387441007
Energy: 0.722755697234712
Energy: 0.7224229397372964
Energy: 0.7799495827141312
Energy: 0.7230643265680117
Energy: 0.7221575278885678

minimum gb energy = 0.6937204969937364 eV
minimum distance =  2.43390108611633 Angstroms
sigma value = 3


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

Energy: 1.3178208533526128
Energy: 0.8873116561520216
Energy: 0.8027040644023714
Energy: 0.8247506182841305
Energy: 0.887256840128118
Energy: 0.8318818773207707
Energy: 0.8857529827001669
Energy: 0.822986055126037
Energy: 0.8325327803952025
Energy: 0.8253013366801429
Energy: 0.9151705189956327
Energy: 0.8303964720983181
Energy: 0.9037310759248885
Energy: 0.8548272772094453
Energy: 0.8546671301446911
Energy: 0.8383146763607566
Energy: 0.8552975836676399
Energy: 0.8783438455733261
Energy: 0.8652229425773067
Energy: 0.834048328618097
Energy: 0.8555419150894419
Energy: 0.8658308169210732
Energy: 0.8379060865782852
Energy: 0.8710396763128155
Energy: 0.8697575715763439
Energy: 0.8725720534956753
Energy: 0.8709135393222169
Energy: 0.8706682224945188
Energy: 0.8693055692823821
Energy: 0.8829283524158469
Energy: 0.8664517455608505
Energy: 0.8756451722862564
Energy: 0.8741996630363947
Energy: 0.8794724190710574
Energy: 0.8758461329359105
Energy: 0.8693973322224775
Energy: 0.8649049726411702
Energy: 0.8744276394682783
Energy: 0.8746168609508007
Energy: 0.8480592920414032
Energy: 0.900280474214145
Energy: 0.8684170625201556
Energy: 0.9390511116549866
Energy: 1.0011792162869895
Energy: 0.831596424509765
Energy: 0.869486149485782
Energy: 0.8835980026961364
Energy: 0.8304089972920238
Energy: 0.8682270880778693
Energy: 0.8670866845253625
Energy: 0.8670960536204273
Energy: 0.8777074565801288
Energy: 0.907840927656772
Energy: 0.8708124417415497
Energy: 1.124860631558606
Energy: 0.8803915367784049
Energy: 0.8803894322632557
Energy: 1.0046158009314956
Energy: 0.8807410912253575
Energy: 0.8362528348337823
Energy: 0.914713056426075
Energy: 0.8340516580766296
Energy: 0.8353158539385488
Energy: 0.8999976831350472
Energy: 0.8327110323920642
Energy: 0.8881615300583056
Energy: 0.8927231901406754
Energy: 0.8761347813457327
Energy: 0.8768294650181597
Energy: 0.8803064763064012
Energy: 0.8788214283609371
Energy: 0.8679665344761236
Energy: 0.8402064476451674
Energy: 0.8858393733536278
Energy: 0.8776726624347381
Energy: 0.832714825106347
Energy: 0.8627059055386035
Energy: 0.8689254697309388
Energy: 0.904642179578561
Energy: 0.8626770109754767
Energy: 0.8572993552497448
Energy: 0.8657072959784642
Energy: 0.8601419489254578
Energy: 0.8622365120288924
Energy: 0.8717891974053673
Energy: 0.8622693072628795
Energy: 0.8576604841456869
Energy: 0.854020172580334
Energy: 0.8621941746295176
Energy: 0.8581089194718332
Energy: 0.9520309971237461
Energy: 0.8943025888232626
Energy: 0.8910209531734428
Energy: 0.9523626581509818
Energy: 0.8912547908676781
Energy: 0.8910701839469951
Energy: 0.9550773719011584
Energy: 0.851263392786714
Energy: 0.8511134749227439
Energy: 0.955533281302584
Energy: 0.8609550672174797
Energy: 0.8677409108067274
Energy: 0.9862664104912369
Energy: 0.8635283041036302
Energy: 0.9028702985172898
Energy: 0.9786106954804422
Energy: 0.8633245591040538
Energy: 0.8672564272334148
Energy: 1.0180709295515684
Energy: 0.9031158079497643
Energy: 0.8863763619438844
Energy: 0.8822542945110896
Energy: 0.8959143936682243
Energy: 0.880557374538393
Energy: 0.8956253863009853
Energy: 0.8443233305226601
Energy: 0.8998953351465787
Energy: 0.8833814562381148
Energy: 0.8478545148731377
Energy: 0.8805749733564046
Energy: 0.8486804896599714
Energy: 0.8648521159293653
Energy: 0.8633553202061085
Energy: 0.865742575785745
Energy: 0.8595347016567045
Energy: 0.8605300874011976
Energy: 0.8489709668761316
Energy: 0.8606269097123438
Energy: 0.8600793605434832
Energy: 0.8582434454279738
Energy: 0.859505036762424
Energy: 0.8597127819351966
Energy: 0.8493779870967502
Energy: 0.8613402565762316
Energy: 0.8582553987266262
Energy: 0.8504217878709692
Energy: 0.854394631525257
Energy: 0.8578841463692375
Energy: 0.8480069883451333
Energy: 0.8679112648293867
Energy: 0.8678089085573277
Energy: 0.8480018266814158
Energy: 0.8677135493849328
Energy: 0.8762398861798963
Energy: 0.9129901787876852
Energy: 0.8802494734013757
Energy: 0.9019995361176716
Energy: 0.8868364329192177
Energy: 0.8829125146099753
Energy: 0.8837826875302952
Energy: 0.9494439285118075
Energy: 0.9761304773638039
Energy: 0.8048930648509869
Energy: 0.8579507114981505
Energy: 0.9754151213090275
Energy: 0.8116170562938128
Energy: 1.0765717206946062
Energy: 0.9770438362985641
Energy: 0.8051030570856934
Energy: 0.8584804937297501
Energy: 0.975424052097265
Energy: 0.8257400328420182
Energy: 0.9149899611142689
Energy: 0.8766812704558499
Energy: 0.8807231285719654
Energy: 0.8969915943426169
Energy: 0.8841518165098127
Energy: 0.9020317905786429
Energy: 0.8694238393450796
Energy: 0.8544798732795912
Energy: 0.8405392453690774
Energy: 0.8705837145612781
Energy: 0.8550142449974933
Energy: 0.89180980781099
Energy: 0.8650478968074994
Energy: 0.8719722281428344
Energy: 0.8737121641593373
Energy: 0.8665076813866883
Energy: 0.8702411154802053
Energy: 0.8749071107111754
Energy: 0.863885705122109
Energy: 0.86063833316275
Energy: 0.8792394045322947
Energy: 0.8734833165977746
Energy: 0.898065607900041
Energy: 0.8797540237504112
Energy: 0.8693757887153964
Energy: 0.8575325060105223
Energy: 0.8564593867178782
Energy: 0.8548794850072637
Energy: 0.879427346873235
Energy: 0.8574030205660697
Energy: 0.9372197345521313
Energy: 0.8879641535357952
Energy: 0.8921471111341523
Energy: 0.8682820728457848
Energy: 0.8867029607648463
Energy: 0.8518291256949067
Energy: 1.0805878133551827
Energy: 0.920257913505578
Energy: 0.8809858207797584
Energy: 0.8585630007563645
Energy: 0.8947555951927759
Energy: 0.8651773740805
Energy: 0.9294783380411252
Energy: 0.8401920903223185
Energy: 0.8616659590031868
Energy: 0.9093009869347318
Energy: 0.8550838529034119
Energy: 0.8931788561478673
Energy: 0.8841000795661054
Energy: 0.8803953064630677
Energy: 0.8800479454405433
Energy: 0.8843458887970742
Energy: 0.8807698795779938
Energy: 0.8368718917893314
Energy: 0.9025775044296808
Energy: 0.8675215234288192
Energy: 0.8694870648592908
Energy: 0.903910836638633
Energy: 0.8489160164491658
Energy: 0.8654877954319203
Energy: 0.841082357074246
Energy: 0.8773995160187937
Energy: 0.880660982692606
Energy: 0.8374424327850681
Energy: 0.8782250005999905
Energy: 0.8523405096235294
Energy: 0.864827508052265
Energy: 0.8596541589815008
Energy: 0.8600193422012581
Energy: 0.8866032850964566
Energy: 0.8618296184129466
Energy: 0.8741519922747827
Energy: 0.8709744753555411
Energy: 0.8571289274644442
Energy: 0.8989981854258396
Energy: 0.8531833957719706
Energy: 0.8565044678272911
Energy: 0.8947891522345968
Energy: 0.9558947539832858
Energy: 0.890442711466853
Energy: 0.8901243142370993
Energy: 0.8853591109508279
Energy: 0.9111193828423805
Energy: 0.8898034650297088
Energy: 0.9898448845590229
Energy: 0.8306998820091116
Energy: 0.8299802670938651
Energy: 0.9749945968441777
Energy: 0.865561401703504
Energy: 0.8847343780617715
Energy: 1.0443834209153289
Energy: 0.8506195839023273
Energy: 0.8503718167631287
Energy: 0.9925869663065493
Energy: 0.8692934652842438
Energy: 0.8626104430240451
Energy: 0.9670738482874256
Energy: 0.8873869849305848
Energy: 0.8874272782073787
Energy: 0.8935580784889887
Energy: 0.8883001751127819
Energy: 0.8885253809552857
Energy: 1.1641472820169763
Energy: 0.848478169563399
Energy: 0.8608024571854047
Energy: 0.8874238322239347
Energy: 0.8482057831252809
Energy: 0.8188824141473191
Energy: 0.8637276007041174
Energy: 0.8510600344513761
Energy: 0.855345177150067
Energy: 0.8620665549304114
Energy: 0.848119006218634
Energy: 0.8620037047972042
Energy: 0.8491787704192536
Energy: 0.8603224845786622
Energy: 0.8594786999707528
Energy: 0.8625481076981105
Energy: 0.8603093522492191
Energy: 0.8568126684226004
Energy: 0.8494290093983458
Energy: 0.8661712572622297
Energy: 0.8650945196591941
Energy: 0.8495790873691594
Energy: 0.8593789633170368
Energy: 0.8642963098718232
Energy: 0.8485368576878869
Energy: 0.8660811090488674
Energy: 0.8771513206938172
Energy: 0.8496053489240812
Energy: 0.8673568640345476
Energy: 0.8413496304962335
Energy: 0.9145026191260586
Energy: 0.8671741288890984
Energy: 0.8670914368922872
Energy: 0.9069209598240928
Energy: 0.8672503014439142
Energy: 0.8352923486514671
Energy: 0.8485173100013766
Energy: 0.8403230567994922
Energy: 0.8274777900277951
Energy: 0.820992717256034
Energy: 0.8902217728295488
Energy: 0.8304667364665

minimum gb energy = 0.8027040644023714 eV
minimum distance =  2.35031302695218 Angstroms
sigma value = 81


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

Energy: 1.4764196180722529
Energy: 0.8945511888332521
Energy: 0.7780085155173248
Energy: 0.777906333802516
Energy: 0.8422290095682087
Energy: 0.8588446363468364
Energy: 0.960562452630947
Energy: 0.8249149471425835
Energy: 0.8226351817861492
Energy: 0.8012639479351612
Energy: 0.8234929765971517
Energy: 0.8361579573558038
Energy: 0.9861530580202141
Energy: 0.8479009033295862
Energy: 0.844612889676338
Energy: 0.8470804088378118
Energy: 0.847534699718817
Energy: 0.804157334341172
Energy: 0.9310899566866374
Energy: 0.8468957919425247
Energy: 0.9418132559512571
Energy: 0.9169250468729119
Energy: 0.8460985205776343
Energy: 0.8267492980027626
Energy: 0.9165706449032901
Energy: 0.9098778251438071
Energy: 0.9125015759651037
Energy: 0.9173743597442658
Energy: 0.9121509256467247
Energy: 0.9120313655438633
Energy: 0.9184681906242594
Energy: 0.9117077331648021
Energy: 0.9115282521365028
Energy: 0.9143445714018543
Energy: 0.9091387719212202
Energy: 0.9102866713817488
Energy: 0.9178248585003709
Energy: 0.9627899505133812
Energy: 0.9250789343415105
Energy: 0.8649174395489371
Energy: 1.041281990500448
Energy: 0.8620507605804304
Energy: 0.9939448126143569
Energy: 0.9777616610146169
Energy: 0.9774259698116724
Energy: 0.8242310799397341
Energy: 1.0666510409916263
Energy: 0.8236744942261767
Energy: 0.9048539596210033
Energy: 0.8534655040379396
Energy: 0.8485822339475603
Energy: 0.8399962518178745
Energy: 0.9001325520787012
Energy: 0.8481303566743125
Energy: 1.0103665682631484
Energy: 0.7867788549593916
Energy: 0.7868349195360967
Energy: 1.0102752245508375
Energy: 0.8263897072368349
Energy: 0.8263552044317537
Energy: 0.8731221650647061
Energy: 0.786807540884364
Energy: 0.7867013497244273
Energy: 0.8654983802211773
Energy: 0.8261495973243944
Energy: 0.8458826519860627
Energy: 0.8666304587980883
Energy: 0.8573776992613925
Energy: 0.8623781737438981
Energy: 0.8462014100101398
Energy: 0.8520694791319512
Energy: 0.8630573243769654
Energy: 0.8668742092963528
Energy: 0.9405863947170793
Energy: 0.9408807822219821
Energy: 0.8477291963079612
Energy: 0.9404698624636394
Energy: 0.845198553570676
Energy: 0.9274717768639597
Energy: 0.9242016526839526
Energy: 0.9231964126052855
Energy: 0.9341979516380917
Energy: 0.9240168629721379
Energy: 0.922957730402998
Energy: 0.9167281045771292
Energy: 0.9460241443304866
Energy: 0.9272476249030277
Energy: 0.9291027847689697
Energy: 0.9264893302036714
Energy: 0.928309127505754
Energy: 1.038732985841043
Energy: 0.9270249685014432
Energy: 0.9283795877743336
Energy: 0.9758684071817266
Energy: 0.9267450219057028
Energy: 0.9267697267186542
Energy: 1.0128150466919685
Energy: 0.8237037772550518
Energy: 0.8285100372539553
Energy: 1.0126385983814994
Energy: 0.8240724751525595
Energy: 0.8227482851606445
Energy: 1.070047887175239
Energy: 0.9251055674525376
Energy: 0.9277069976402338
Energy: 1.0355214215526327
Energy: 0.9398030735392998
Energy: 0.9437453819960476
Energy: 0.8356436233530186
Energy: 0.9289895442512219
Energy: 0.8264521085336072
Energy: 0.8262117638901065
Energy: 0.9440726193625162
Energy: 0.8264880375303765
Energy: 0.8354144847348818
Energy: 0.9281416029275246
Energy: 0.8262162883141614
Energy: 0.8300273107681461
Energy: 0.9448185768353498
Energy: 0.826319915191534
Energy: 0.9486323253871439
Energy: 0.9282022802700886
Energy: 0.9329060869329973
Energy: 0.9159337798487774
Energy: 0.933549570109423
Energy: 0.9411719391119556
Energy: 0.9120948162246775
Energy: 0.8473457539491319
Energy: 0.8477089581228462
Energy: 0.9316610651315459
Energy: 0.8457480577010447
Energy: 0.8475506971919456
Energy: 0.9113578686562032
Energy: 0.9297645841829265
Energy: 0.929970855770508
Energy: 0.9121120071073989
Energy: 0.9317392964214248
Energy: 0.9152899982766355
Energy: 0.9138677612917764
Energy: 0.9246307721302806
Energy: 0.9240048394646311
Energy: 0.9242541909270667
Energy: 0.9459743883688382
Energy: 0.9252259019591733
Energy: 0.9141559086151835
Energy: 0.927078539931139
Energy: 0.9268943327123838
Energy: 0.9258612025262747
Energy: 0.9343945598614036
Energy: 0.9289487926771126
Energy: 0.9948681319551811
Energy: 1.023587396151726
Energy: 0.9611437057521213
Energy: 0.8289671336231849
Energy: 1.0233753931842724
Energy: 0.962554329363456
Energy: 0.9940840689747652
Energy: 1.0518091491723967
Energy: 0.9793398609148466
Energy: 0.8278525042729618
Energy: 0.9366941699959737
Energy: 0.90278826235669
Energy: 0.8721037041710099
Energy: 0.8246958691186405
Energy: 0.8386564656661544
Energy: 0.8458046056682674
Energy: 0.7977112667810417
Energy: 0.8396091615507825
Energy: 0.9116557761133142
Energy: 0.826517040605832
Energy: 0.8264924024880957
Energy: 0.9114941130918729
Energy: 0.7869722744337349
Energy: 0.7886943878207532
Energy: 0.9000291004347085
Energy: 0.8587605003730124
Energy: 0.8519496359524813
Energy: 0.8398695915364155
Energy: 0.8518271870706202
Energy: 0.8536264893582717
Energy: 0.8671238840953346
Energy: 0.9080922566370175
Energy: 0.8952564152061858
Energy: 0.8479161729537084
Energy: 0.9161754605751885
Energy: 0.8473298101696675
Energy: 0.8798720931966524
Energy: 0.9059602461882655
Energy: 0.8645640132733042
Energy: 0.8407547452802755
Energy: 0.9112380955006837
Energy: 0.9257849355485924
Energy: 1.0434092537365918
Energy: 0.9044194258913847
Energy: 0.9086120695151838
Energy: 0.9157473773989383
Energy: 0.9075790886608276
Energy: 0.9085197889400949
Energy: 1.0458773123341747
Energy: 0.9091811689444743
Energy: 0.9138452776525697
Energy: 0.9171674409993168
Energy: 0.9134479098303439
Energy: 0.9124556041894022
Energy: 1.04262099388812
Energy: 0.8196653060563064
Energy: 0.9566273756117679
Energy: 1.043408467095445
Energy: 0.8279867127415219
Energy: 0.8630836508933295
Energy: 1.0240084969972143
Energy: 0.8281871479204937
Energy: 0.8291299915487507
Energy: 0.9325647672862718
Energy: 0.8280639457598262
Energy: 0.8772448869418038
Energy: 1.0928794414941392
Energy: 0.8262439599178464
Energy: 0.7483465634802238
Energy: 0.8743116360304872
Energy: 0.7486021472749818
Energy: 0.8218542210852855
Energy: 0.8567192782270747
Energy: 0.879120232172477
Energy: 0.7773882494317307
Energy: 0.786685999983183
Energy: 0.879206024968507
Energy: 0.8670645078427975

minimum gb energy = 0.7483465634802238 eV
minimum distance =  2.27154491299983 Angstroms
sigma value = 43


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

Energy: 1.3817319071661676
Energy: 1.0026632747077067
Energy: 0.8305551034627441
Energy: 0.9243422619669872
Energy: 1.0023704660387207
Energy: 0.9243638628724368
Energy: 0.8228537583918196
Energy: 0.8203556492888882
Energy: 0.8166858113248205
Energy: 0.8203548219933066
Energy: 0.8108226613552415
Energy: 0.7914223944093253
Energy: 0.7692284595657733
Energy: 0.8292259903589175
Energy: 0.836835727832626
Energy: 0.915131436768825
Energy: 0.8500831064209384
Energy: 0.8615741752206437
Energy: 0.7832169603916406
Energy: 0.8489832834296278
Energy: 0.8267817309241815
Energy: 0.7833035770333158
Energy: 0.8492193246717911
Energy: 0.8234381238125567
Energy: 0.7830969434417959
Energy: 0.7985410613889298
Energy: 0.7984927521580975
Energy: 0.7835329923725929
Energy: 0.7982711490135942
Energy: 0.7975515836541099
Energy: 0.7828220735159428
Energy: 0.7985708886169546
Energy: 0.7992315854903941
Energy: 0.7980474676004903
Energy: 0.8006924017454727
Energy: 0.7993782766461293
Energy: 0.773676233102015
Energy: 0.7834197719647708
Energy: 0.7834437353456549
Energy: 0.8135953310713359
Energy: 0.7834379363466085
Energy: 0.7875003866701171
Energy: 0.8495175789364549
Energy: 0.8231182951812017
Energy: 0.8182064162483382
Energy: 0.8279249440981304
Energy: 0.8229864727083501
Energy: 0.823382949719888
Energy: 0.7736573766168543
Energy: 0.8230273862989594
Energy: 0.8226632943186731
Energy: 0.7798588608829954
Energy: 0.7842457835997457
Energy: 0.8363174171030577
Energy: 0.7735577429388983
Energy: 0.8831755926949821
Energy: 0.8802004926124857
Energy: 0.8613647460607837
Energy: 0.8672639867935653
Energy: 0.8804384733698182
Energy: 0.7910477056301859
Energy: 0.8439647872200506
Energy: 0.8216021453445906
Energy: 0.8030514463096621
Energy: 0.8243718658113894
Energy: 0.8161723532561349
Energy: 0.7778637371102876
Energy: 0.8559422574942135
Energy: 0.8558719616752375
Energy: 0.7955440193566545
Energy: 0.8202209600629273
Energy: 0.8667187444168949
Energy: 0.7792500344589571
Energy: 0.8348189157867133
Energy: 0.880004759705067
Energy: 0.863369905570692
Energy: 0.8341004498598424
Energy: 0.880564246197577
Energy: 0.7913385502979883
Energy: 0.8264888298054043
Energy: 0.8165292376811465
Energy: 0.8087308693478776
Energy: 0.7836899974523146
Energy: 0.8165788339302225
Energy: 0.790601002134579
Energy: 0.8113232508740993
Energy: 0.8351094901254984
Energy: 0.8165559284413006
Energy: 0.7962830467606365
Energy: 0.8152497449255599
Energy: 0.793211506631032
Energy: 0.8236133225191046
Energy: 0.8130608246206203
Energy: 0.7926090854735912
Energy: 0.8009060209188623
Energy: 0.8149665296032216
Energy: 0.7943200948718805
Energy: 0.8366231638474659
Energy: 0.8362712147387893
Energy: 0.8349921427929307
Energy: 0.8104047772283481
Energy: 0.795597382451102
Energy: 0.8258077031866932
Energy: 0.8128912399699039
Energy: 0.813229474289562
Energy: 0.7985215311463003
Energy: 0.8433502106662849
Energy: 0.8231998320511048
Energy: 0.7729004317298701
Energy: 0.8533918352409567
Energy: 0.8614944652871421
Energy: 0.8578912491177724
Energy: 0.8526595803848602
Energy: 0.8668712892596897
Energy: 0.7722843658439239
Energy: 0.8535983384467374
Energy: 0.8500444094949331
Energy: 0.8576874792706632
Energy: 0.8536447987701975
Energy: 0.8674091068891776
Energy: 0.8256515057966277
Energy: 0.7890414814557775
Energy: 0.8361493953799254
Energy: 0.7990374133877461
Energy: 0.7895675477536053
Energy: 0.830018262499528
Energy: 0.8581422223374873
Energy: 0.8010323465207418
Energy: 0.8011207952512329
Energy: 0.8581658952518831
Energy: 0.8415232293025318
Energy: 0.8012703522537534
Energy: 0.8614897248412152
Energy: 0.798363305392013
Energy: 0.8273390398595791
Energy: 0.7891786946168174
Energy: 0.817514481449195
Energy: 0.8109789048083109
Energy: 0.9120531752940364
Energy: 0.7954257488974003
Energy: 0.8334769814327087
Energy: 0.8313386927534192
Energy: 0.888652207908462
Energy: 0.8231080530612591
Energy: 0.8465855071288205
Energy: 0.7948967791402356
Energy: 0.8330456020302973
Energy: 0.8358271848636736
Energy: 0.7933230669426629
Energy: 0.835660022528433
Energy: 0.8343806037132183
Energy: 0.8152409851041075
Energy: 0.8156394939968669
Energy: 0.8149861961181665
Energy: 0.8104847737243336
Energy: 0.8161144213068615
Energy: 0.8343794185483928
Energy: 0.8155206061542833
Energy: 0.8158023795883487
Energy: 0.8146264142742282
Energy: 0.8164299903821287
Energy: 0.8156393395496754
Energy: 0.8470811573807198
Energy: 0.8069214739449916
Energy: 0.8130600178763128
Energy: 0.8205605651789925
Energy: 0.7937640073588014
Energy: 0.8323542598789513
Energy: 0.9436114147525154
Energy: 0.8227720432779521
Energy: 0.8233257418194412
Energy: 0.9043952043835999
Energy: 0.8267390545655732
Energy: 0.8234442012533377
Energy: 0.8203948152742017
Energy: 0.819107891378306
Energy: 0.8183589291529919
Energy: 0.8213668928300174
Energy: 0.8116049303933452
Energy: 0.7882629780727611
Energy: 0.7702204505372232
Energy: 0.8912812495578817
Energy: 0.865925264638133
Energy: 0.8026093940947658
Energy: 0.8908279793949044
Energy: 0.8673541074186778

minimum gb energy = 0.7692284595657733 eV
minimum distance =  2.24543666909858 Angstroms
sigma value = 57


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

Energy: 0.9513377615727695
Energy: 0.9099782088447578
Energy: 0.8211278665750221
Energy: 0.7758644970837133
Energy: 0.909872672455673
Energy: 0.8200984532276531
Energy: 0.8494927417970826
Energy: 0.840756533721229
Energy: 0.8072311872001949
Energy: 0.8090058621512976
Energy: 0.80733050699099
Energy: 0.7818846348674279
Energy: 0.7840395931238915
Energy: 0.7375723346690147
Energy: 0.7375071566258172
Energy: 0.798797010910366
Energy: 0.7700888133817256
Energy: 0.769216626682978
Energy: 0.7921122820328658
Energy: 0.7699167491902447
Energy: 0.769218113945882
Energy: 0.7914878095612525
Energy: 0.7697685765687461
Energy: 0.8000775818095204
Energy: 0.7909893427646509
Energy: 0.7737212159072037
Energy: 0.7766707383932373
Energy: 0.7913700598935982
Energy: 0.7749486830809214
Energy: 0.7767710942936576
Energy: 0.7609507267799475
Energy: 0.7745725481748088
Energy: 0.7744770699515152
Energy: 0.7744908649788194
Energy: 0.7735795800764864
Energy: 0.7739045119971955
Energy: 0.8008183272996402
Energy: 0.7923814487099277
Energy: 0.7918742610738393
Energy: 0.7942115635089484
Energy: 0.7922324642988215
Energy: 0.798642398664945
Energy: 0.789489958588792
Energy: 0.7954389286402072
Energy: 0.8020876889247051
Energy: 0.7746154976714642
Energy: 0.8014914241093101
Energy: 0.8013664376444596
Energy: 0.8011441166751954
Energy: 0.8413227108702626
Energy: 0.8393934651392513
Energy: 0.8041518757625975
Energy: 0.8392072005387502
Energy: 0.8426203763187268
Energy: 0.9298959315547353
Energy: 0.8127809241891567
Energy: 0.8124113808320226
Energy: 0.9305698193992581
Energy: 0.8126133798837543
Energy: 0.8126271435660126
Energy: 0.852831596191082
Energy: 0.8122903024316268
Energy: 0.769386523872871
Energy: 0.8201413654543228
Energy: 0.7669317819984527
Energy: 0.7990391568650553
Energy: 0.7613503821855083
Energy: 0.8094484242817508
Energy: 0.8003041516065684
Energy: 0.7377003158492442
Energy: 0.807373779074591
Energy: 0.8522828668928394
Energy: 0.7617601083429075
Energy: 0.8003747003274834
Energy: 0.8124816745104851
Energy: 0.8791925177211322
Energy: 0.7970806264964354
Energy: 0.812455968613018
Energy: 0.8516175891536506
Energy: 0.7819042669115779
Energy: 0.7818871655627391
Energy: 0.807564752935896
Energy: 0.806819747486816
Energy: 0.7840252709650319
Energy: 0.7921295151273883
Energy: 0.7385842629281377
Energy: 0.7393478668411513
Energy: 0.7816006394333251
Energy: 0.7385635813512899
Energy: 0.7861548331583749
Energy: 0.7915437940954315
Energy: 0.7746023119465079
Energy: 0.7786222517411829
Energy: 0.7913918340862796
Energy: 0.7676061097681529
Energy: 0.7794161982247892
Energy: 0.7912780199764685
Energy: 0.774579235817708
Energy: 0.7739258819507924
Energy: 0.7802753493251299
Energy: 0.7740868976992147
Energy: 0.7735760314419675
Energy: 0.7912967901753958
Energy: 0.7748197700741595
Energy: 0.7762701243127317
Energy: 0.774594613018809
Energy: 0.767737449537502
Energy: 0.7762051844853829
Energy: 0.8013246294128447
Energy: 0.7979350996487207
Energy: 0.7805321409170116
Energy: 0.7673340292500198
Energy: 0.7902156752518297
Energy: 0.8015078258842286
Energy: 0.801117917585088
Energy: 0.7972868730141388
Energy: 0.8013579464483509
Energy: 0.7995763051089709
Energy: 0.797808064249516
Energy: 0.7774222494926348
Energy: 0.8036489327684321
Energy: 0.8412066924935774
Energy: 0.7923507991023728
Energy: 0.8063178197712948
Energy: 0.7922312223767328
Energy: 0.773858334443512
Energy: 0.9349463958619297
Energy: 0.8125615640234872
Energy: 0.8125490683963604
Energy: 0.9346796022227662
Energy: 0.8130421563253396
Energy: 0.8452284819730929
Energy: 0.8493170232463182
Energy: 0.8403260971522459
Energy: 0.8405000645808383
Energy: 0.8050430757626869
Energy: 0.8520374396864864
Energy: 0.7814184064919208
Energy: 0.7616885021317022
Energy: 0.7997910146462889
Energy: 0.8126653593385728
Energy: 0.8783340043291797
Energy: 0.798329361466235
Energy: 0.812449599747403

minimum gb energy = 0.7375071566258172 eV
minimum distance =  2.28053997322139 Angstroms
sigma value = 17


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

Energy: 0.6927932640592659
Energy: 0.8076777283886026
Energy: 0.8850016187521147
Energy: 0.7577821385350876
Energy: 0.8110456542063118
Energy: 0.7604134971259506
Energy: 0.7881890073726072
Energy: 0.7868004119816414
Energy: 0.7875910296452365
Energy: 0.8071858576007603
Energy: 0.7990690925567071
Energy: 0.7171864330723478
Energy: 0.8054461784137382
Energy: 0.691473039764164
Energy: 0.6935416669558077
Energy: 0.8021884149111311
Energy: 0.6914147046407464
Energy: 0.6918259646319349
Energy: 0.801770400157603
Energy: 0.6938584436281686
Energy: 0.6918421429697172
Energy: 0.8017120786563525
Energy: 0.6931198930617926
Energy: 0.8018241740513813
Energy: 0.8032944217299429
Energy: 0.699059997498254
Energy: 0.6986718723629897
Energy: 0.803658846633103
Energy: 0.710757454645074
Energy: 0.6983141693919288
Energy: 0.7268152235160961
Energy: 0.6998960274354756
Energy: 0.6992379203416922
Energy: 0.6946508292678658
Energy: 0.7077190002107484
Energy: 0.6938049170324937
Energy: 0.7077564335227469
Energy: 0.7079503851917565
Energy: 0.7078301984402191
Energy: 0.7177812236962124
Energy: 0.7082002029294842
Energy: 0.7040604797807253
Energy: 0.7079181725388904
Energy: 0.6969780873026304
Energy: 0.7096456827279809
Energy: 0.6972385343139422
Energy: 0.6969562775156117
Energy: 0.7090040698017983
Energy: 0.7098416068881577
Energy: 0.6975624065559183
Energy: 0.6970060246671148
Energy: 0.7083428013013127
Energy: 0.6966639804311602
Energy: 0.70847792083348
Energy: 0.7075516572032298
Energy: 0.6981318842604071
Energy: 0.6982561660578895
Energy: 0.7074745007563448
Energy: 0.6983856584124026
Energy: 0.6986553412086264
Energy: 0.7106892160833408
Energy: 0.6985130297420392
Energy: 0.6986069770197264
Energy: 0.7174476002335175
Energy: 0.8027689799557988
Energy: 0.6986979710242858
Energy: 0.799638812126421
Energy: 0.8018589038729546
Energy: 0.8019069086373587
Energy: 0.7974566034033428
Energy: 0.8020319441912972
Energy: 0.8025590851496597
Energy: 0.8006108147241049
Energy: 0.7873332143534781
Energy: 0.7865848766669594
Energy: 0.7216231339635858
Energy: 0.7971679648109715
Energy: 0.7735790396257355
Energy: 0.8111309787621728
Energy: 0.7976541047062329
Energy: 0.7867976646094084
Energy: 0.7997126143368533
Energy: 0.8047529788077673
Energy: 0.7260102885694973
Energy: 0.9532290944481634
Energy: 0.7953103162689045
Energy: 0.795018440089103
Energy: 0.9522393607808396
Energy: 0.7952362359227435
Energy: 0.7850666167480883
Energy: 0.8348826174724312
Energy: 0.7992040227663679
Energy: 0.7166776730334511
Energy: 0.8132683407691847
Energy: 0.8071427621269287
Energy: 0.7744181770106375
Energy: 0.788599567072845
Energy: 0.7870871519396853
Energy: 0.8627527824036513
Energy: 0.7162249414833948
Energy: 0.8211578570753371
Energy: 0.8630394456734743

minimum gb energy = 0.6914147046407464 eV
minimum distance =  2.35180643013713 Angstroms
sigma value = 17


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

Energy: 0.642569595484638
Energy: 0.7712708609214839
Energy: 0.7166997703990553
Energy: 0.6931303352689904
Energy: 0.7774204031988776
Energy: 0.7169256417153381
Energy: 0.7471891071421707
Energy: 0.750737300275424
Energy: 0.7490920096792343
Energy: 0.7688084330687198
Energy: 0.7496719048987822
Energy: 0.6560885321084007
Energy: 0.931273782020006
Energy: 0.6478112513541645
Energy: 0.6587154890128075
Energy: 0.7685471735027528
Energy: 0.6480257691623069
Energy: 0.6591434544659193
Energy: 0.7702602024070202
Energy: 0.6600973809679492
Energy: 0.659192285563268
Energy: 0.7711094626330863
Energy: 0.6593531927543524
Energy: 0.6832458931656098
Energy: 0.6798318841098595
Energy: 0.6575420219136026
Energy: 0.6589192301433131
Energy: 0.6804252571365537
Energy: 0.6780839702003323
Energy: 0.6559424100545527
Energy: 0.6192538850839825
Energy: 0.6569632080476607
Energy: 0.646340396741353
Energy: 0.6473990802313135
Energy: 0.6711828852353761
Energy: 0.6465772383934704
Energy: 0.6296569873778098
Energy: 0.6719831503944175
Energy: 0.6713587958493294
Energy: 0.6454927929209917
Energy: 0.6737950757671539
Energy: 0.6565846324850867
Energy: 0.6296069785925867
Energy: 0.6313031165034747
Energy: 0.6391795528460291
Energy: 0.6497333595849036
Energy: 0.6313535364489539
Energy: 0.6396037028484616
Energy: 0.6306847024739171
Energy: 0.639074380944848
Energy: 0.6413847851157798
Energy: 0.6318195266955079
Energy: 0.6404449941425506
Energy: 0.6307335167265682
Energy: 0.6302857810967963
Energy: 0.633655932976379
Energy: 0.633497339773952
Energy: 0.6302463850225192
Energy: 0.6356107271093743
Energy: 0.6336390021863557
Energy: 0.6442474237719721
Energy: 0.6412878327255211
Energy: 0.6338943763746574
Energy: 0.634071756902633
Energy: 0.6307893646814765
Energy: 0.6336920737809484
Energy: 0.6324515990621924
Energy: 0.6306136605522891
Energy: 0.6307057493973912
Energy: 0.6410069400325874
Energy: 0.634125030822721
Energy: 0.6404982944026221
Energy: 0.6423743951541829
Energy: 0.6409248421610138
Energy: 0.6402375945872869
Energy: 0.6392375717882833
Energy: 0.6408494936789431
Energy: 0.6392425044943125
Energy: 0.6720508427722826
Energy: 0.646308238717254
Energy: 0.6430627802214557
Energy: 0.6720141457418913
Energy: 0.6453455888010253
Energy: 0.6712674722353293
Energy: 0.6709782862430202
Energy: 0.6402223975457555
Energy: 0.6401716842621477
Energy: 0.6709201765519577
Energy: 0.6403427485182833
Energy: 0.6564291197288924
Energy: 0.7734575242990125
Energy: 0.6803979771925779
Energy: 0.6556977681909806
Energy: 0.6780773584632749
Energy: 0.7691334249106285
Energy: 0.6577428288685087
Energy: 0.629570841919766
Energy: 0.768345015217283
Energy: 0.7685068195080133
Energy: 0.6774806775465734
Energy: 0.7681255284634958
Energy: 0.6576842295079608
Energy: 0.6817406029166484
Energy: 0.7489131183680747
Energy: 0.7352072363846072
Energy: 0.6882329733065583
Energy: 0.7927034791591221
Energy: 0.658169734884648
Energy: 0.8567396684213969
Energy: 0.7699054972067976
Energy: 0.7032441754959876
Energy: 0.769415890116988
Energy: 0.6778730623448518
Energy: 0.6585177880858085
Energy: 0.9278280678322198
Energy: 0.6792983578679089
Energy: 0.671133058322665
Energy: 0.7727931088515093
Energy: 0.6786593607081746
Energy: 0.7539806092090467
Energy: 0.8915844532277961
Energy: 0.7362974008127835
Energy: 0.7484806486413879
Energy: 0.7707436175864162
Energy: 0.7630800686644289
Energy: 0.7498719331701488
Energy: 0.638591087686309
Energy: 0.754724344125469
Energy: 0.8199528719700208
Energy: 0.6884933177595919
Energy: 0.7670027168590454
Energy: 0.6898545768875526
Energy: 0.6412988284434229
Energy: 0.7495380246483225
Energy: 0.7492465799683502
Energy: 0.6424899605059057
Energy: 0.7774606888905113
Energy: 0.802987626963958
Energy: 0.8922935931797338
Energy: 0.6622207561086741
Energy: 0.7170267059665951
Energy: 0.7694958565754997
Energy: 0.6580873253233493
Energy: 0.716927561616294
Energy: 0.7682182772265462
Energy: 0.6481034827303451
Energy: 0.6604630543816866
Energy: 0.7683996058618696
Energy: 0.6480554072775826
Energy: 0.6590370768112624
Energy: 0.771689209088135
Energy: 0.6798060878577282
Energy: 0.6588643384536921
Energy: 0.7721550355697893
Energy: 0.6798444055135993
Energy: 0.7238667830708598
Energy: 0.6194569615079053
Energy: 0.6568366051588944
Energy: 0.6569377027016073
Energy: 0.6473872302525666
Energy: 0.6571608828710156
Energy: 0.6466205652704609
Energy: 0.6700466660459939
Energy: 0.671632618604795
Energy: 0.6717224082653463
Energy: 0.6705962955732842
Energy: 0.6727938469268593
Energy: 0.6716569150064301
Energy: 0.630854896581625
Energy: 0.6416714007361978
Energy: 0.6417537266204418
Energy: 0.6428577580105963
Energy: 0.6709616147062298
Energy: 0.6463937730344077
Energy: 0.6306483990810107
Energy: 0.631276840422515
Energy: 0.639140139041656
Energy: 0.6307531523388092
Energy: 0.6314822816322486
Energy: 0.6389324716332834
Energy: 0.6344549451464789
Energy: 0.6366348175816267
Energy: 0.6354701074674095
Energy: 0.6308816055729229
Energy: 0.6337015918167258
Energy: 0.634907167765578
Energy: 0.6308690208430696
Energy: 0.6373987501502296
Energy: 0.6362558519372122
Energy: 0.6395502787417257
Energy: 0.6339301298940663
Energy: 0.6363083185281965
Energy: 0.6975027780710037
Energy: 0.6305705054070702
Energy: 0.6305894215306828
Energy: 0.6978732518787448
Energy: 0.6311098771348443
Energy: 0.6305954396199149
Energy: 0.6307061567902733
Energy: 0.6389673767791382
Energy: 0.6395115737002174
Energy: 0.6726083525934118
Energy: 0.6408595476835617
Energy: 0.6432201043803707
Energy: 0.6711781238244442
Energy: 0.643164101992282
Energy: 0.64268942451723
Energy: 0.6711737233109993
Energy: 0.6447786204779937
Energy: 0.6436339374340639
Energy: 0.6712185312264796
Energy: 0.6397493794955208
Energy: 0.655644098138486
Energy: 0.6713191124414015
Energy: 0.639608092836405
Energy: 0.678344022915696
Energy: 0.775517618141337
Energy: 0.6695214588494234
Energy: 0.655267482942411
Energy: 0.6808852152701396
Energy: 0.6795862010949462
Energy: 0.6585069355901583
Energy: 0.6288010208305361
Energy: 0.7683892868573219
Energy: 0.7683096239691278
Energy: 0.687233627595513
Energy: 0.7694357739060845
Energy: 0.7678955007610768
Energy: 0.6297191226529034
Energy: 0.7488251777175108
Energy: 0.669808080083333
Energy: 0.6560086713510073
Energy: 0.7496331184896589
Energy: 0.6566392685696603
Energy: 0.856245782566951
Energy: 0.7563777930788073
Energy: 0.7155352428813301
Energy: 0.7697611955241803
Energy: 0.7727543179801558
Energy: 0.6797728807098827
Energy: 0.8605160534244819
Energy: 0.6716911397789505
Energy: 0.7337100045874823
Energy: 0.768643369496705
Energy: 0.6572822150000172
Energy: 0.7343578800020729
Energy: 0.8902892819436332
Energy: 0.7016454423785432
Energy: 0.7486315455846708
Energy: 0.770358549973414
Energy: 0.6780500432148466
Energy: 0.7163844823496327
Energy: 0.6424762048100101
Energy: 0.7502197318950252
Energy: 0.7352678621104531
Energy: 0.6435665498900863
Energy: 0.7761695634741175
Energy: 0.8028074970712618

minimum gb energy = 0.6192538850839825 eV
minimum distance =  2.33846995176818 Angstroms
sigma value = 57


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

Energy: 0.7298530760873803
Energy: 0.7337310441252873
Energy: 0.657544901731284
Energy: 0.6331675632438631
Energy: 0.9625521945994548
Energy: 0.653417070284527
Energy: 0.8287099537538909
Energy: 0.7462495836628656
Energy: 0.7087069029264448
Energy: 0.7299954555530138
Energy: 0.7326329151931918
Energy: 0.6158905886031504
Energy: 0.8655934336320035
Energy: 0.6065817407968215
Energy: 0.6068687825619191
Energy: 0.7349598964546272
Energy: 0.6068839682674998
Energy: 0.628182429641728
Energy: 0.7325038336767947
Energy: 0.6067895795766212
Energy: 0.6280639654176676
Energy: 0.7323870747518646
Energy: 0.6524011494994552
Energy: 0.6521951311464811
Energy: 0.6713111029843684
Energy: 0.6431567667882315
Energy: 0.6222009186431323
Energy: 0.6713735802843132
Energy: 0.6441303768257184
Energy: 0.633826486171364
Energy: 0.5670616696193923
Energy: 0.6416772185019307
Energy: 0.606039841346337
Energy: 0.5863237911015166
Energy: 0.6415118673007348
Energy: 0.6060726589292842
Energy: 0.73540837706341
Energy: 0.6475235304619721
Energy: 0.6421986043741482
Energy: 0.6041193648776669
Energy: 0.6444882581057987
Energy: 0.6043110228212861
Energy: 0.7802623664228912
Energy: 0.5850778464311772
Energy: 0.5848847909113474
Energy: 0.6046225730535979
Energy: 0.5852554138062672
Energy: 0.5955477113765004
Energy: 0.5965543990840925
Energy: 0.5957732539670555
Energy: 0.6052487749643707
Energy: 0.5977322005731819
Energy: 0.6103173273300173
Energy: 0.5946789629811875
Energy: 0.594436602092263
Energy: 0.5875892042066945
Energy: 0.5867986593729911
Energy: 0.5944506490912125
Energy: 0.6041934318411802
Energy: 0.586933847320622
Energy: 0.5910843179373562
Energy: 0.572811350183301
Energy: 0.5906550105274728
Energy: 0.5773547277525408
Energy: 0.5727494958136777
Energy: 0.5810581058561767
Energy: 0.5972684363810099
Energy: 0.57946974707793
Energy: 0.5730355386296468
Energy: 0.5929440842172465
Energy: 0.5761924180069857
Energy: 0.5810229225093346
Energy: 0.5730879751446512
Energy: 0.6231284085396457
Energy: 0.6221099385678669
Energy: 0.5798865492828225
Energy: 0.6056395902577322
Energy: 0.6018414954332172
Energy: 0.5732759245328503
Energy: 0.5832983778607228
Energy: 0.5722457795409953
Energy: 0.5746119467103095
Energy: 0.5907190016951392
Energy: 0.572689940142503
Energy: 0.5726508049074263
Energy: 0.5819416495523914
Energy: 0.5815989229882959
Energy: 0.5724583140933559
Energy: 0.6054213230008202
Energy: 0.5818387117597202
Energy: 0.6893834876490716
Energy: 0.5948171646563899
Energy: 0.5931639052519081
Energy: 0.5929979502359742
Energy: 0.5944502143902956
Energy: 0.5918722640968829
Energy: 0.6058229498755999
Energy: 0.5947688994428073
Energy: 0.5948812667999165
Energy: 0.6080814272109156
Energy: 0.600203240973923
Energy: 0.6006237157991647
Energy: 0.6049767279577258
Energy: 0.602619151014491
Energy: 0.60305130998812
Energy: 0.6416828766081254
Energy: 0.6023851217830082
Energy: 0.600378951422932
Energy: 0.6421174860459766
Energy: 0.605050093908405
Energy: 0.6418661589225981
Energy: 0.6431574111660356
Energy: 0.6055686904996782
Energy: 0.642006595399494
Energy: 0.8081882891396046
Energy: 0.5959286677511586
Energy: 0.5957971938185194
Energy: 0.6468826520041131
Energy: 0.596353480105696
Energy: 0.6419951862662704
Energy: 0.8067519660563834
Energy: 0.6453728961302505
Energy: 0.6120417890299318
Energy: 0.6452071987860567
Energy: 0.6434872997351975
Energy: 0.6566100350564147
Energy: 0.63307159291183
Energy: 0.7300034398162105
Energy: 0.6214068854706757
Energy: 0.59809040332087
Energy: 0.7368420092388608
Energy: 0.6197614336246876
Energy: 0.6513144115597855
Energy: 0.7012157028804933
Energy: 0.6777771527606352
Energy: 0.651546173837823
Energy: 0.73320733497425
Energy: 0.6720450518397367
Energy: 0.8062716910775038
Energy: 0.6428641432942135
Energy: 0.6199330958923253
Energy: 0.7314642519506538
Energy: 0.6467139709722316
Energy: 0.6234461662132958
Energy: 0.8654626078032274
Energy: 0.6264821127222546
Energy: 0.6248500404909834
Energy: 0.7296455799249894
Energy: 0.6204054969036817
Energy: 0.6952104888989568
Energy: 0.8340311549028973
Energy: 0.7162023572216059
Energy: 0.6782592289671191
Energy: 0.7350051381084898
Energy: 0.7359769164468447
Energy: 0.6355078688572137
Energy: 0.5775426124979431
Energy: 0.7158204744578687
Energy: 0.6280146467919593
Energy: 0.6094196030116551
Energy: 0.73019328750492
Energy: 0.6277614648809233

minimum gb energy = 0.5670616696193923 eV
minimum distance =  2.38154347220763 Angstroms
sigma value = 43


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

Energy: 0.4921739400069154
Energy: 0.6304148392851703
Energy: 0.5777481873428408
Energy: 0.5366577856191918
Energy: 0.6302658715229945
Energy: 0.5600882053718551
Energy: 0.7018115547382461
Energy: 0.6345896157184867
Energy: 0.5192225309099656
Energy: 0.6285716557228633
Energy: 0.6286217281336158
Energy: 0.5181951029788343
Energy: 0.7027674023736167
Energy: 0.5066343784456745
Energy: 0.5198905606427504
Energy: 0.6288493804913308
Energy: 0.5076315690410279
Energy: 0.5201601392944454
Energy: 0.6314064140776066
Energy: 0.5197958540131384
Energy: 0.5205622683036151
Energy: 0.6285891326791819
Energy: 0.5387016839477524
Energy: 0.5563876091601457
Energy: 0.5844985119139071
Energy: 0.5561509223618198
Energy: 0.5191182943646759
Energy: 0.5846024907053675
Energy: 0.5633151202290841
Energy: 0.5188789888281851
Energy: 0.4773140678708246
Energy: 0.5615667218128058
Energy: 0.5118631026446822
Energy: 0.4912222061879212
Energy: 0.5616042519868707
Energy: 0.5009252821031557
Energy: 0.6312633332072421
Energy: 0.5617869477912096
Energy: 0.56171694104948
Energy: 0.5036951104563906
Energy: 0.5618986128573932
Energy: 0.5026178422785208
Energy: 0.6687006399967397
Energy: 0.48825060311922275
Energy: 0.4959232636954501
Energy: 0.502936077692133
Energy: 0.488152303660982
Energy: 0.4958833868421257
Energy: 0.5243992508594366
Energy: 0.49642084475129716
Energy: 0.5235565501646889
Energy: 0.5257771329467976
Energy: 0.536709063513725
Energy: 0.522663757457833
Energy: 0.5226950393819609
Energy: 0.4985447330154989
Energy: 0.4987119688996624
Energy: 0.5227201494750376
Energy: 0.49946461209421067
Energy: 0.4987615837320422
Energy: 0.4994680304967436
Energy: 0.4979207452743083
Energy: 0.4898155287961559
Energy: 0.4815297460472861
Energy: 0.4978381117387137
Energy: 0.4853182795470977
Energy: 0.522786760834081
Energy: 0.49811983066971904
Energy: 0.49794749261790733
Energy: 0.4949358203511824
Energy: 0.49833786317580964
Energy: 0.4963774254377669
Energy: 0.6483883599419499
Energy: 0.47965509596479516
Energy: 0.48184398884502316
Energy: 0.6503531554453731
Energy: 0.47976250809890697
Energy: 0.48191648730149794
Energy: 0.4830068462342025
Energy: 0.5306721257962644
Energy: 0.4830774735305523
Energy: 0.48447864686544356
Energy: 0.49823504885997116
Energy: 0.4831276016924272
Energy: 0.48317264156261014
Energy: 0.48071407113876297
Energy: 0.4804201652747442
Energy: 0.4831017988748053
Energy: 0.49216921885709586
Energy: 0.4836095237619437
Energy: 0.5614672981933669
Energy: 0.47611123297504426
Energy: 0.48194017550894624
Energy: 0.47941456227078877
Energy: 0.4760458395766931
Energy: 0.4794726289499883
Energy: 0.48598583870491247
Energy: 0.47609289276337546
Energy: 0.4758853199853877
Energy: 0.4812586354765123
Energy: 0.47610595233359726
Energy: 0.48265761057523754
Energy: 0.5649319543281056
Energy: 0.5035220206528985
Energy: 0.49270077332172607
Energy: 0.5654254634277126
Energy: 0.5027611546523757
Energy: 0.49209850276829853
Energy: 0.4760858805686808
Energy: 0.4858522203902355
Energy: 0.4760606911656439
Energy: 0.47690217366324295
Energy: 0.5763318063565044
Energy: 0.47598905794418894
Energy: 0.6433542618489314
Energy: 0.4931102964519304
Energy: 0.4928790161434015
Energy: 0.6448836360267143
Energy: 0.4932055646236685
Energy: 0.5056364805967245
Energy: 0.5003525160414031
Energy: 0.48311717278187916
Energy: 0.4830233260228133
Energy: 0.4869035897590918
Energy: 0.4833160680171434
Energy: 0.4880900933343176
Energy: 0.4796709806266879
Energy: 0.48310509519000644
Energy: 0.4899260535030314
Energy: 0.4822374435091813
Energy: 0.48317055788677266
Energy: 0.48205370853711105
Energy: 0.49787619464438576
Energy: 0.48442562662652366
Energy: 0.4842177765465159
Energy: 0.49792218673326294
Energy: 0.5032852983720667
Energy: 0.4846473696338137
Energy: 0.4980891114687471
Energy: 0.49427611335843225
Energy: 0.4980381311381128
Energy: 0.4995781605116532
Energy: 0.522614641767042
Energy: 0.4979441190304177
Energy: 0.6559416675501907
Energy: 0.48405345022836543
Energy: 0.49004097205146124
Energy: 0.6580865608416663
Energy: 0.48423266848711877
Energy: 0.48984524756809156
Energy: 0.5618837503945978
Energy: 0.5228224629816105
Energy: 0.522750292513359
Energy: 0.4985301973167084
Energy: 0.5229702744543089
Energy: 0.4983150434514507
Energy: 0.5107611314068288
Energy: 0.5227492173055162
Energy: 0.5030060188322446
Energy: 0.48632827997776257
Energy: 0.5228341985621607
Energy: 0.49319483724114227
Energy: 0.5617437100909289
Energy: 0.5073702514626877
Energy: 0.5037121037093737
Energy: 0.5619072514069124
Energy: 0.5205029702969148
Energy: 0.5039369922096957
Energy: 0.5633281836276117
Energy: 0.5066657999273153
Energy: 0.5619896969163424
Energy: 0.564601604098197
Energy: 0.5605068571579825
Energy: 0.5617934938514787
Energy: 0.689536387857715
Energy: 0.49673887591463517
Energy: 0.5067678546348566
Energy: 0.5499861838153669
Energy: 0.496682319304771
Energy: 0.5065796457135391
Energy: 0.6880847311138084
Energy: 0.5527029805486758
Energy: 0.5503681117520521
Energy: 0.5496236247569961
Energy: 0.551680388897434
Energy: 0.5219052435670783
Energy: 0.4837777135917756
Energy: 0.628539672311135
Energy: 0.5293098759005057
Energy: 0.5014258702483863
Energy: 0.6285490008385471
Energy: 0.5137446568107327
Energy: 0.6293800207088064
Energy: 0.5799655012444425
Energy: 0.5557100172470579
Energy: 0.5534729759774598
Energy: 0.6310873367526947
Energy: 0.5558762888647788
Energy: 0.6868708960370813
Energy: 0.5357753395393594
Energy: 0.5359551521028695
Energy: 0.6290378784555631
Energy: 0.5651676533308647
Energy: 0.5879417259740283
Energy: 0.702594421232646
Energy: 0.5211210939618597
Energy: 0.535792678889892
Energy: 0.6288145702993087
Energy: 0.524276383803472
Energy: 0.5568179112378614
Energy: 0.7018429494979742
Energy: 0.5965727710563871
Energy: 0.5558839184985261
Energy: 0.6287680066871216
Energy: 0.631312911701338
Energy: 0.555639707239352

minimum gb energy = 0.4758853199853877 eV
minimum distance =  2.38349867353847 Angstroms
sigma value = 81


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

Energy: 0.03203087467771662
Energy: 0.03313793582460054
Energy: 0.03264228940164417
Energy: 0.03387037045499667
Energy: 0.03413468267850683
Energy: 0.032563081969979896
Energy: 0.06521622146702918
Energy: 0.03328206316670199
Energy: 0.033366579022779855
Energy: 0.06421209442778247
Energy: 0.03349754000163445
Energy: 0.03337434244069629
Energy: 0.06460354696704824
Energy: 0.03250884471169348
Energy: 0.03262310128787884
Energy: 0.06445137217163872
Energy: 0.032394804787854135
Energy: 0.06451517399285164
Energy: 0.03319082779896668
Energy: 0.03253487622851302
Energy: 0.032753223279564675
Energy: 0.033258192875965036
Energy: 0.032478222655941955
Energy: 0.06507438583564049
Energy: 0.06453856227255639
Energy: 0.06429442630776537
Energy: 0.06436161949422324
Energy: 0.06567183644584579
Energy: 0.0644550256740604
Energy: 0.06433686233680191
Energy: 0.03310981535755613
Energy: 0.03324306637369837
Energy: 0.03263310832988958
Energy: 0.034374684318032304
Energy: 0.03327962661209634
Energy: 0.032618005674897525
Energy: 0.06444322137315855
Energy: 0.033365810252282184
Energy: 0.0331923581639407
Energy: 0.06464124943648297
Energy: 0.03315394194513056
Energy: 0.033361010574963545
Energy: 0.06452924933904981
Energy: 0.03250897394164655
Energy: 0.032503531635945576
Energy: 0.06435455735853135
Energy: 0.032443155847180716
Energy: 0.06496194099805035
Energy: 0.03442585060635394
Energy: 0.032636268593631085
Energy: 0.06578280923888855
Energy: 0.03501014117071281
Energy: 0.03261908361935491
Energy: 0.06643607157464806
Energy: 0.03246004257316893
Energy: 0.06455203800357599
Energy: 0.06463773853634014
Energy: 0.03285741055990577
Energy: 0.06458970187491986
Energy: 0.06444069849604048

minimum gb energy = 0.03203087467771662 eV
minimum distance =  2.54903813229428 Angstroms
sigma value = 3


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

Energy: 0.5970655117156662
Energy: 0.5893629531793266
Energy: 0.5864704178895952
Energy: 0.5801067015557743
Energy: 0.5893587383128358
Energy: 0.5849470760336428
Energy: 0.6217479583277236
Energy: 0.6020983841072968
Energy: 0.602216820647908
Energy: 0.5864815781625722
Energy: 0.6024160064745248
Energy: 0.6022162824435084
Energy: 0.6304017995219775
Energy: 0.5749742487040855
Energy: 0.574965415460033
Energy: 0.6050966523017502
Energy: 0.5751044543411424
Energy: 0.5931910476455081
Energy: 0.5864978788932996
Energy: 0.5755268387549262
Energy: 0.5758308581906342
Energy: 0.5864086766299428
Energy: 0.5324879478651021
Energy: 0.5932092197492298
Energy: 0.5338403425837006
Energy: 0.5976472482596437
Energy: 0.6022098261583639
Energy: 0.5337377243273274
Energy: 0.6023104553079166
Energy: 0.6021225173553573
Energy: 0.5655230458475071
Energy: 0.5997556343882152
Energy: 0.5863905778486617
Energy: 0.5555899600262892
Energy: 0.5983547810484928
Energy: 0.5553162430751558
Energy: 0.5882272170250239
Energy: 0.5417317241382646
Energy: 0.5876569263957175
Energy: 0.588163215780051
Energy: 0.5430943194176623
Energy: 0.593065334503608
Energy: 0.5859845732312563
Energy: 0.5623499781253191
Energy: 0.5624863323719883
Energy: 0.5861566579215955
Energy: 0.538498067644577
Energy: 0.5447208687505112
Energy: 0.5889376273207099
Energy: 0.5620013123040261
Energy: 0.5964136389528208
Energy: 0.5937662826399513
Energy: 0.501806225431898
Energy: 0.5923727131639233
Energy: 0.546326343635347
Energy: 0.5424408936005298
Energy: 0.5421077533321319
Energy: 0.5463665473233422
Energy: 0.5436005110878824
Energy: 0.5518161187559733
Energy: 0.5577632032911533
Energy: 0.5691743833488347
Energy: 0.5692293361921491
Energy: 0.5438279437324675
Energy: 0.5626612357345422
Energy: 0.544311334373535
Energy: 0.5078902032064502
Energy: 0.5712842773051983
Energy: 0.5702570635384573
Energy: 0.5081875396683737
Energy: 0.571564053182595
Energy: 0.5065589341253384
Energy: 0.5061016192726763
Energy: 0.5328984471812144
Energy: 0.5486026935467256
Energy: 0.5062885073918812
Energy: 0.5327416289657919
Energy: 0.5271155833596106
Energy: 0.5470268536768719
Energy: 0.520862954839218
Energy: 0.5483235561900905
Energy: 0.5502553841918664
Energy: 0.5206620916428997
Energy: 0.5492543958192331
Energy: 0.5481805013187516
Energy: 0.4827591431528176
Energy: 0.48288299760737347
Energy: 0.5460899914935399
Energy: 0.48391508868292094
Energy: 0.48298182585002253
Energy: 0.5464381097685845
Energy: 0.5378073162408908
Energy: 0.5377337767592401
Energy: 0.5356986539583533
Energy: 0.5397107615673041
Energy: 0.5375289222100614
Energy: 0.47593104143305237
Energy: 0.5373170062024075
Energy: 0.5369621669858559
Energy: 0.47593719493284714
Energy: 0.5360748587757781
Energy: 0.4728985381837171
Energy: 0.4751811098560776
Energy: 0.5329906866859564
Energy: 0.5329921083417098
Energy: 0.47483232871371106
Energy: 0.532923605450533
Energy: 0.5327429278802681
Energy: 0.5390042509121881
Energy: 0.538132579468549
Energy: 0.5323052807832398
Energy: 0.5328661830619557
Energy: 0.5386277046050294
Energy: 0.5327625678047184
Energy: 0.5385166396602324
Energy: 0.47203947589482104
Energy: 0.47162153179619465
Energy: 0.539242697923952
Energy: 0.4753295571790291
Energy: 0.4716199222015826
Energy: 0.5382993076809357
Energy: 0.5360855528480662
Energy: 0.5379408589148238
Energy: 0.5388979827467208
Energy: 0.5456047554284065
Energy: 0.5368895582968513
Energy: 0.49213325953987375
Energy: 0.5359960211680233
Energy: 0.5108384244802313
Energy: 0.4833575007564374
Energy: 0.549670584766073
Energy: 0.48274038360386384
Energy: 0.4846258657160565
Energy: 0.5484643974557004
Energy: 0.5486522547252587
Energy: 0.48464203690415
Energy: 0.5483971695306158
Energy: 0.5487892812275168
Energy: 0.5503570718572696
Energy: 0.5063872554569542
Energy: 0.548395485133663
Energy: 0.5386798489030286
Energy: 0.506219508350592
Energy: 0.5386825320870108
Energy: 0.5630539013397251
Energy: 0.5071781010803827
Energy: 0.5068805212245135
Energy: 0.5647693284498619
Energy: 0.5080358406170149
Energy: 0.5065593775729786
Energy: 0.5641694058700815
Energy: 0.5536419162780392
Energy: 0.5539635886653113
Energy: 0.5636635959702533
Energy: 0.5337136872992106
Energy: 0.5690961095774816
Energy: 0.544077294445579
Energy: 0.5534892227111289
Energy: 0.5540243332290594
Energy: 0.5441235941179754
Energy: 0.571111788953635
Energy: 0.5418539603967726
Energy: 0.5182941505256976
Energy: 0.5988943755027636
Energy: 0.5975452006345943
Energy: 0.5183338348938835
Energy: 0.5925919179750537
Energy: 0.5973576963539641
Energy: 0.564140309134338
Energy: 0.5832898773893821
Energy: 0.5771719629446797
Energy: 0.5477125539592426
Energy: 0.586325284376435
Energy: 0.5480913329556897
Energy: 0.5414057220776857
Energy: 0.5893012066859016
Energy: 0.5870331506837547
Energy: 0.5413711471318291
Energy: 0.5887654870776508
Energy: 0.5867122991307783
Energy: 0.5979429745030033
Energy: 0.5694884315877019
Energy: 0.5693210300316155
Energy: 0.597789495353398
Energy: 0.542132439702925
Energy: 0.5692870093851176
Energy: 0.6314370444797346
Energy: 0.5695257894224872
Energy: 0.6075843329868884
Energy: 0.6015653806195563
Energy: 0.5418855884509505
Energy: 0.5975067627225419
Energy: 0.5473778582825695
Energy: 0.5865601807522789
Energy: 0.5866805355200818
Energy: 0.547486612595678
Energy: 0.5889423026565509
Energy: 0.5713519331491009

minimum gb energy = 0.4716199222015826 eV
minimum distance =  2.29463339250748 Angstroms
sigma value = 67


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

Energy: 0.7326910790662863
Energy: 0.7021666882689326
Energy: 0.7242803380653428
Energy: 0.69891998836169
Energy: 0.7030057925291333
Energy: 0.741463631977858
Energy: 0.744033017236111
Energy: 0.7182853913995259
Energy: 0.717860647640708
Energy: 0.7176129107928131
Energy: 0.7320694539434474
Energy: 0.7153096569864376
Energy: 0.7541732857692796
Energy: 0.6975213653449585
Energy: 0.7106726236728537
Energy: 0.718328264671007
Energy: 0.6975557619891944
Energy: 0.710668135604285
Energy: 0.6976698371791685
Energy: 0.7108704141303561
Energy: 0.7111410701696866
Energy: 0.697037131899039
Energy: 0.6990301646183924
Energy: 0.7110539522435302
Energy: 0.6885653181629289
Energy: 0.7316377478011654
Energy: 0.7170721682646366
Energy: 0.6886367952861087
Energy: 0.7329658019238348
Energy: 0.7161821755387721
Energy: 0.6866288245839965
Energy: 0.7066419703005525
Energy: 0.691958160487345
Energy: 0.6998103340684648
Energy: 0.7042980880734725
Energy: 0.6995273579952144
Energy: 0.692755645961824
Energy: 0.6895784649940907
Energy: 0.6886611771497109
Energy: 0.6888118698658164
Energy: 0.6875888752268421
Energy: 0.6872563077229876
Energy: 0.6920001242449196
Energy: 0.6735450182166338
Energy: 0.6735332207220851
Energy: 0.6890759487630934
Energy: 0.6731519929087988
Energy: 0.6922389287067101
Energy: 0.6890012198907159
Energy: 0.7036881883850796
Energy: 0.7021567812233899
Energy: 0.6950965616892006
Energy: 0.6321173940474869
Energy: 0.7056713024067438
Energy: 0.6940994246333815
Energy: 0.6374290597110371
Energy: 0.6326905083900289
Energy: 0.6948453239494294
Energy: 0.6348062008743921
Energy: 0.6330010090845155
Energy: 0.6894273689084163
Energy: 0.6754733683936374
Energy: 0.6758005455140438
Energy: 0.6750932693714773
Energy: 0.6770217157279472
Energy: 0.675314297919501
Energy: 0.603312536631933
Energy: 0.677761347510327
Energy: 0.6767596906803789
Energy: 0.6016045144554414
Energy: 0.6783116942822075
Energy: 0.6013069022078056
Energy: 0.6015396737579121
Energy: 0.6651455237692692
Energy: 0.6689667877889962
Energy: 0.6014673490154779
Energy: 0.6654287517810081
Energy: 0.6013295846644393
Energy: 0.6727257260673883
Energy: 0.676852445544375
Energy: 0.6678979002497752
Energy: 0.6655639214272802
Energy: 0.672814725479273
Energy: 0.6674748500273303
Energy: 0.6728769343972985
Energy: 0.6058629287739353
Energy: 0.601495520941973
Energy: 0.6736954737056879
Energy: 0.6023240816195327
Energy: 0.6011330986355559
Energy: 0.6747850927495809
Energy: 0.6761479000192668
Energy: 0.6781927821381718
Energy: 0.678465326893823
Energy: 0.6462225428921272
Energy: 0.676064450698508
Energy: 0.6414460888986246
Energy: 0.6629880968147819
Energy: 0.667198387872711
Energy: 0.6337391747025967
Energy: 0.6632628916408848
Energy: 0.6336399543812752
Energy: 0.6327080230106649
Energy: 0.7020174866593418
Energy: 0.7037839893701446
Energy: 0.6320406262678739
Energy: 0.7016698401843824
Energy: 0.6324428908078823
Energy: 0.6747351798278826
Energy: 0.6910215962773112
Energy: 0.6839762917594983
Energy: 0.683103119611696
Energy: 0.6884482554017768
Energy: 0.683963960008171
Energy: 0.6788085846299439
Energy: 0.6883141915856275
Energy: 0.6878154136420055
Energy: 0.6786714706537397
Energy: 0.690246204006841
Energy: 0.68734626378145
Energy: 0.6870275001434907
Energy: 0.7166332892818754
Energy: 0.7168598957036076
Energy: 0.6871785449878488
Energy: 0.699777166073501
Energy: 0.7169532842575695
Energy: 0.7541923619484154
Energy: 0.6803943275628195
Energy: 0.7166096448912914
Energy: 0.7185630344505455
Energy: 0.6803925588361761
Energy: 0.7166658216438226
Energy: 0.7198838057806589
Energy: 0.6919913362572178
Energy: 0.6911329530934176
Energy: 0.7200412458386585
Energy: 0.6904559544497274
Energy: 0.6873111500049075

minimum gb energy = 0.6011330986355559 eV
minimum distance =  2.30631201044672 Angstroms
sigma value = 33


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

Energy: 0.8794048595304006
Energy: 0.8188744958451678
Energy: 0.890150861635896
Energy: 0.8182572669567959
Energy: 0.8583021523998251
Energy: 0.8606427859243946
Energy: 0.8945677405818574
Energy: 0.859397531335727
Energy: 0.8122349390616018
Energy: 0.8010733525448455
Energy: 0.8128375643407489
Energy: 0.8578465164826886
Energy: 0.9178718085963339
Energy: 0.8412646822225908
Energy: 0.8412681555961697
Energy: 0.8090012014719697
Energy: 0.841298389090794
Energy: 0.8414212128080948
Energy: 0.8633698850440414
Energy: 0.8424892345991304
Energy: 0.8421501121872096
Energy: 0.8085205814676436
Energy: 0.78293858905924
Energy: 0.8421749107783101
Energy: 0.7965232113454447
Energy: 0.8587633869456986
Energy: 0.8580047210399145
Energy: 0.7964026782042244
Energy: 0.859511146197277
Energy: 0.8576832313432
Energy: 0.8224371097495392
Energy: 0.8569324162074796
Energy: 0.865744430238254
Energy: 0.7955381493091103
Energy: 0.8218062509458327
Energy: 0.793182033898972
Energy: 0.7967427408372377
Energy: 0.824463850096259
Energy: 0.8245028701559921
Energy: 0.7967036375053733
Energy: 0.8240202510369095
Energy: 0.7928399316127308
Energy: 0.7969722103924933
Energy: 0.8063161842192288
Energy: 0.8059651870907871
Energy: 0.7969532732488792
Energy: 0.7746074739628557
Energy: 0.7929528155109372
Energy: 0.8185011272898695
Energy: 0.810790698480706
Energy: 0.807730620564078
Energy: 0.8223596025594561
Energy: 0.7322753187235361
Energy: 0.8193281688348745
Energy: 0.8211460593758866
Energy: 0.7324636232875555
Energy: 0.7318589735660734
Energy: 0.8219028072335983
Energy: 0.733985700062819
Energy: 0.731930350278697
Energy: 0.8238710359032232
Energy: 0.7950880263168353
Energy: 0.8146778377140185
Energy: 0.7886141358249598
Energy: 0.7902313950809108
Energy: 0.8097316515287539
Energy: 0.733507937322801
Energy: 0.7864670178116353
Energy: 0.8042424179998284
Energy: 0.7334091806683739
Energy: 0.7654929650237505
Energy: 0.7344523917131074
Energy: 0.733366250231148
Energy: 0.824470068044528
Energy: 0.8206810501227053
Energy: 0.7334746707253903
Energy: 0.8131952853096338
Energy: 0.7334077027839551
Energy: 0.8067764220172448
Energy: 0.8270027419921385
Energy: 0.8269265265388805
Energy: 0.7780501727931379
Energy: 0.8296286006206214
Energy: 0.7783374719524722
Energy: 0.7760401184428742
Energy: 0.8006729926562897
Energy: 0.800182431141396
Energy: 0.77602822605397
Energy: 0.8007487173355493
Energy: 0.8000955299570315
Energy: 0.8125219603071469
Energy: 0.8296302308716402
Energy: 0.8298085403523309
Energy: 0.8134283941144007
Energy: 0.7371308833199882
Energy: 0.8189367318068902
Energy: 0.8758742450251169
Energy: 0.8297388065014397
Energy: 0.8299298939422677
Energy: 0.8764006487057137
Energy: 0.7887514102762332
Energy: 0.8298363025425094
Energy: 0.8751194583118047
Energy: 0.8585657803054592
Energy: 0.8576010396143516
Energy: 0.8205317917001766
Energy: 0.8645125207629497
Energy: 0.8549968652239547
Energy: 0.7988855695252252
Energy: 0.8951961281426286
Energy: 0.8192693088670313
Energy: 0.7563860682216681
Energy: 0.8994462572199932
Energy: 0.7858101288680774
Energy: 0.7961300469458329
Energy: 0.8632204746055608
Energy: 0.8633373429917697
Energy: 0.7963401683735072
Energy: 0.8626589388582888
Energy: 0.8631270616291357
Energy: 0.8769988764240683
Energy: 0.8420018006756887
Energy: 0.8418609748849142
Energy: 0.8770204651899225
Energy: 0.8481720887375095
Energy: 0.8420300343207795
Energy: 0.8219274052165283
Energy: 0.8415465718965932
Energy: 0.8415585783933756
Energy: 0.8218424315694127
Energy: 0.8413518499899891
Energy: 0.8414446426779536
Energy: 0.7982057263973341
Energy: 0.8642970904504207
Energy: 0.8634002189135329
Energy: 0.8009881162107154
Energy: 0.862204699981707
Energy: 0.8632806759821213
Energy: 0.8229055908750239
Energy: 0.8560366863663668
Energy: 0.8595724695894471
Energy: 0.7934976262780836
Energy: 0.9045657291759048
Energy: 0.7931899822598365
Energy: 0.7990447752862746
Energy: 0.8411748909188004
Energy: 0.8452014946710192
Energy: 0.7991953199074135
Energy: 0.8557912419309015
Energy: 0.7956030427521893
Energy: 0.7991519251559809
Energy: 0.7964430189937486
Energy: 0.7954976690342941
Energy: 0.7986646775116529
Energy: 0.8209954106113033
Energy: 0.7955390264995564
Energy: 0.8181802398202526
Energy: 0.7948783250314448
Energy: 0.8278039593545958
Energy: 0.8194689660448846
Energy: 0.7529145319624635
Energy: 0.8316046393927224
Energy: 0.8188936150811503
Energy: 0.7324570336292426
Energy: 0.7319256744609791
Energy: 0.8203951932334161
Energy: 0.7347146263085613
Energy: 0.7321147394648497
Energy: 0.8249975378204034
Energy: 0.7762435754103449
Energy: 0.8192547946466
Energy: 0.8170728455440148
Energy: 0.77485265328115
Energy: 0.793841704509218
Energy: 0.7306673296262816
Energy: 0.792585403479381
Energy: 0.7922786678741598
Energy: 0.7307224667597356
Energy: 0.7653937782951422
Energy: 0.7315083452517918
Energy: 0.7312865851914528
Energy: 0.7965329520151493
Energy: 0.7312123408224328
Energy: 0.7310702110327072
Energy: 0.7961111195966298
Energy: 0.7309604640980324
Energy: 0.8071096632208596
Energy: 0.8336709959651981
Energy: 0.8346723339570672
Energy: 0.7776273617027609
Energy: 0.8261136609880488
Energy: 0.7783646167345786
Energy: 0.8066102000282511
Energy: 0.7966342476271803
Energy: 0.7946669172112284
Energy: 0.806468580452871
Energy: 0.798678332249992
Energy: 0.7945819414634004
Energy: 0.8105619971535194
Energy: 0.7791867373320687
Energy: 0.7906134965879071
Energy: 0.8177567690169991
Energy: 0.7369440210760635
Energy: 0.7848574689775071
Energy: 0.9159703977348067
Energy: 0.8304524051065357
Energy: 0.8306846671377912
Energy: 0.8079448659142675
Energy: 0.7759737455610465
Energy: 0.8305341752568979
Energy: 0.895910330414802
Energy: 0.7964720855019342
Energy: 0.8095143932430042
Energy: 0.802122955983563
Energy: 0.7533564370263606
Energy: 0.8394813839791503
Energy: 0.8310706316331855
Energy: 0.815392410194016
Energy: 0.8218393817943781
Energy: 0.7855287137832299
Energy: 0.8153943552456013
Energy: 0.8279915500283896

minimum gb energy = 0.7306673296262816 eV
minimum distance =  2.28912342562995 Angstroms
sigma value = 41


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

Energy: 0.9772858401009675
Energy: 0.8423116827218932
Energy: 0.9864220009006949
Energy: 0.8994789308319618
Energy: 0.8448403622521173
Energy: 0.9845341239125519
Energy: 0.9735961019514053
Energy: 0.8445755389647782
Energy: 0.8425508789972221
Energy: 0.9014339684451887
Energy: 0.8445476259514585
Energy: 0.911569041784929
Energy: 0.9799912384427298
Energy: 0.811155437617865
Energy: 0.9094105288967036
Energy: 0.8436573589596541
Energy: 0.832500753728514
Energy: 0.9097113958515748
Energy: 0.8432560518752312
Energy: 0.8745090472279746
Energy: 0.9094712197259371
Energy: 0.8432949469519522
Energy: 0.8317716125720613
Energy: 0.8292098510430695
Energy: 0.8271889168411575
Energy: 0.8437679140985248
Energy: 0.8485662133604218
Energy: 0.8272638435422491
Energy: 0.8445760240036306
Energy: 0.8480086656518618
Energy: 0.9184130509797994
Energy: 0.8473804401308171
Energy: 0.8461928786622698
Energy: 0.8316951814686089
Energy: 0.8564477369142827
Energy: 0.8475008885277442
Energy: 0.8259098251239353
Energy: 0.9087893475019692
Energy: 0.8821608833183344
Energy: 0.8261570138604399
Energy: 0.9080711551131185
Energy: 0.8350902060038117
Energy: 0.8272512584185951
Energy: 0.8341849275846533
Energy: 0.8351664272882657
Energy: 0.8266304358581953
Energy: 0.8358776266230882
Energy: 0.8354397557763722
Energy: 0.8915691946963491
Energy: 0.8363605790107626
Energy: 0.8367140909449986
Energy: 0.8874308160932839
Energy: 0.8549673800892185
Energy: 0.8798234381201434
Energy: 0.8526114689361455
Energy: 0.831996802485852
Energy: 0.8360588206334251
Energy: 0.8430021482296508
Energy: 0.8278222280385534
Energy: 0.8352158343860681
Energy: 0.8571784197479964
Energy: 0.8371793763108073
Energy: 0.846530316018272
Energy: 0.8481954423290333
Energy: 0.7833471369884168
Energy: 0.8488592282080447
Energy: 0.9793466564822102
Energy: 0.8777619218431986
Energy: 0.8775246175340813
Energy: 0.844215922826965
Energy: 0.7839073243220519
Energy: 0.8769843374736833
Energy: 0.9721907057752228
Energy: 0.828818522844496
Energy: 0.8874976881946737
Energy: 0.8443449731741881
Energy: 0.9048836447706071
Energy: 0.9088270349387346
Energy: 0.9193166638478876
Energy: 0.8441514298280396
Energy: 0.7858494249350185
Energy: 0.7822691739367342
Energy: 0.8432260194566458
Energy: 0.7860642057284711

minimum gb energy = 0.7822691739367342 eV
minimum distance =  2.38169515577297 Angstroms
sigma value = 11


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

Energy: 0.9902707504350309
Energy: 1.065914230791208
Energy: 1.1954547069187915
Energy: 1.069052152984404
Energy: 1.1637733356126618
Energy: 1.032057346791302
Energy: 1.0954715818359246
Energy: 0.9433266619724668
Energy: 0.9426428338077847
Energy: 0.9681590343048997
Energy: 0.9472851832210212
Energy: 0.9694715277005685
Energy: 1.0949709038218378
Energy: 0.9405663325421368
Energy: 0.9413121029574887
Energy: 1.051387152098367
Energy: 0.9404444757381473
Energy: 0.9587487071922122
Energy: 0.9935030495184938
Energy: 0.9588862736241008
Energy: 0.9408954482491491
Energy: 0.9700577589010347
Energy: 0.949574360003361
Energy: 0.9638468396011639
Energy: 0.9667236307011379
Energy: 0.948534547985246
Energy: 0.9492565411799839
Energy: 0.9626732430232134
Energy: 0.9478461194175621
Energy: 0.9692428950118667
Energy: 0.9945512585947497
Energy: 0.9519383887174485
Energy: 0.9521159754570334
Energy: 0.9725879773053248
Energy: 0.9864926258978186
Energy: 0.9607890369126557
Energy: 0.9671591072625204
Energy: 0.9584663602373961
Energy: 0.9527236443722069
Energy: 0.9672745307114606
Energy: 0.9625041746182417
Energy: 0.9486671500179346
Energy: 0.9571922367894199
Energy: 0.9561452098308324
Energy: 0.9677607312015553
Energy: 0.9473158648294767
Energy: 0.9668674308917472
Energy: 0.9660361125578831
Energy: 0.9897974057821585
Energy: 0.9696273540381177
Energy: 0.9670586451710085
Energy: 0.9385868951338783
Energy: 0.9501717097942792
Energy: 0.9387747717956163
Energy: 0.9356784976380691
Energy: 0.9694399173835588
Energy: 0.9671092732794786
Energy: 0.9542791858988129
Energy: 0.9642499936670118
Energy: 0.9628176757829197
Energy: 0.9571643744898313
Energy: 0.9539639557433884
Energy: 0.9701815316500788
Energy: 0.9469967695669912
Energy: 0.9452915278003071
Energy: 0.96496900258808
Energy: 0.9981552216780649
Energy: 0.9691635842738549
Energy: 1.0024952260339954
Energy: 0.9986833363891109
Energy: 0.9447805463726376
Energy: 0.9733465553261313
Energy: 0.9419883303692387
Energy: 0.9740368941503013
Energy: 0.9717139273651826
Energy: 0.9418981486771959
Energy: 0.9676038489108533
Energy: 0.9528525101085501
Energy: 0.9606776995297415
Energy: 0.9493562467338813
Energy: 0.9493462315925397
Energy: 0.9599800570135315
Energy: 1.0286578691654147
Energy: 0.9448956814021181
Energy: 0.9422036924648122
Energy: 0.9613893130802856
Energy: 0.9618886912574148
Energy: 0.9458245554329529
Energy: 0.9652969844767888
Energy: 0.9612501028990141
Energy: 0.9362245449639809
Energy: 0.9613307860989143
Energy: 0.9616905045014293
Energy: 0.9372599768374908
Energy: 0.9616646881397346
Energy: 0.9621721423687312
Energy: 0.9536900478022996
Energy: 0.9611887171665864
Energy: 0.9615844958655495
Energy: 0.9537026742016335
Energy: 0.9714890438124429
Energy: 0.9559435132493677
Energy: 0.9506607751469138
Energy: 0.9775521822004316
Energy: 0.9770259335742346
Energy: 0.9687486058274201
Energy: 1.0157262596428855
Energy: 0.9504071655609306
Energy: 0.9462824274203531
Energy: 0.9531956110805587
Energy: 0.9592042380236185
Energy: 0.9467985853305805
Energy: 0.947847938190071
Energy: 0.9652074140104621
Energy: 0.9700057831259038
Energy: 0.9390076218247742
Energy: 0.9399999644468977
Energy: 0.952484701746361
Energy: 0.9388599663726437
Energy: 0.9598188619501151
Energy: 1.0112990560878539
Energy: 0.9629817565669688
Energy: 0.9558922224435015
Energy: 0.9612182081572386
Energy: 0.9523558360552465
Energy: 0.9601600599190103
Energy: 0.9775746427884929
Energy: 0.9588315212669194
Energy: 0.9598918813662447
Energy: 0.9442155619652406
Energy: 0.9575427883615772
Energy: 0.964140943874558
Energy: 0.9595571902647845
Energy: 0.9522255044082546
Energy: 0.9639844425707732
Energy: 0.939671597011026
Energy: 0.9579052166720918
Energy: 0.978491681869568
Energy: 1.0109929720978883
Energy: 0.9468190043176301
Energy: 0.9486975562242441
Energy: 0.9478597083284959
Energy: 0.9469275922266907
Energy: 0.9581641585960916
Energy: 1.0139399863778529
Energy: 0.960881135361501
Energy: 0.9597082877205593
Energy: 0.9955765113464888
Energy: 0.9703036064245427
Energy: 0.9439060417173717
Energy: 1.0050617411994904
Energy: 0.9452098567120422
Energy: 0.9454510638516305
Energy: 0.977507029222302
Energy: 0.9444764994791951
Energy: 0.9610245790499207
Energy: 1.0047969665634442
Energy: 0.9363862999888625
Energy: 0.9583912157836104
Energy: 0.9612940757684831
Energy: 0.9379984704204863
Energy: 0.9620361972364532
Energy: 0.9936509625924415
Energy: 0.9524184863278042
Energy: 0.9617117369333757
Energy: 0.978814464181445
Energy: 0.9508822377558677
Energy: 0.9624733617572365
Energy: 1.0948544673150165
Energy: 0.940453333704472
Energy: 0.9429779132810509
Energy: 1.0591708410060419
Energy: 0.9769501878201758
Energy: 0.9604403149647759
Energy: 1.0948281422755943
Energy: 0.943130394043944
Energy: 0.9532323393837917
Energy: 0.9732540519916317
Energy: 0.9423329819867606
Energy: 0.9615593984044887
Energy: 0.9721733503736716
Energy: 0.9963516644656876
Energy: 0.9497560866382578
Energy: 0.9380583672848872
Energy: 0.9959549622999607
Energy: 0.9510171098253977

minimum gb energy = 0.9356784976380691 eV
minimum distance =  2.28610945732069 Angstroms
sigma value = 57


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

Energy: 1.2527977114160482
Energy: 0.9750538904244326
Energy: 1.0479004029720067
Energy: 1.0490082325660437
Energy: 1.3223557950380254
Energy: 1.0480538384781064
Energy: 1.0397664465516558
Energy: 0.9900191439620539
Energy: 0.9899300837268605
Energy: 0.9755151107551805
Energy: 0.9772547630760733
Energy: 0.9814257401019357
Energy: 1.0382283218280313
Energy: 0.9962529508429384
Energy: 0.9990897476753181
Energy: 1.0105989336145982
Energy: 0.9969996703576725
Energy: 1.0132478993488652
Energy: 0.9728881156049773
Energy: 0.9758256531695638
Energy: 0.9787709865201365
Energy: 0.9728109920900551
Energy: 0.9970322612376648
Energy: 0.987510830942394
Energy: 0.9714931432056687
Energy: 1.011133777723805
Energy: 0.9903444691787229
Energy: 0.9701184302899334
Energy: 1.0105085095469302
Energy: 0.9901458577466192
Energy: 0.9774065294199697
Energy: 1.0177054010108348
Energy: 1.0084289135625923
Energy: 1.0099999614431454
Energy: 1.0203916548359937
Energy: 1.0120877318458408
Energy: 1.0193040503824957
Energy: 0.9438192013096927
Energy: 0.9581085652895058
Energy: 1.0176674770378429
Energy: 0.9410137039954365
Energy: 1.0072334930033968
Energy: 1.0395506619135768
Energy: 0.9747224192190179
Energy: 0.9772084649607407
Energy: 0.9760235070941407
Energy: 0.9697110570779518
Energy: 0.9832263675472538
Energy: 0.9658690973359884
Energy: 1.0103965192850692
Energy: 1.0377019104351854
Energy: 0.9900475925253148
Energy: 1.0105764825748924
Energy: 1.0397578640360319
Energy: 0.9658993362802855
Energy: 1.0104119552180097
Energy: 1.0379611798288082
Energy: 0.9789455395770096
Energy: 1.0125864153883317
Energy: 1.0398584632943433
Energy: 1.0407852896956402
Energy: 0.9755572601767062
Energy: 0.9768071118833161
Energy: 0.9652223254663307
Energy: 0.9711399535466677
Energy: 0.9800050446663312
Energy: 1.0135186545844488
Energy: 0.9960415379614979
Energy: 0.9970074944638061
Energy: 1.0115076571104726
Energy: 0.9971181824352185
Energy: 1.0131022478973375
Energy: 0.9749364918449542
Energy: 0.9806782967628876
Energy: 0.9800450135187091
Energy: 0.977854598783929
Energy: 0.9757870828613588
Energy: 0.9796419219131046
Energy: 0.9617733434278741
Energy: 1.0110384454572903
Energy: 1.0156134715750982
Energy: 1.0002987303179482
Energy: 1.0119321417748615
Energy: 1.0132081959348458
Energy: 0.9735297482765466
Energy: 0.9399969906238519
Energy: 0.9907332586129687
Energy: 0.9697755822118401
Energy: 0.9395508932425882
Energy: 0.9900728894036326
Energy: 1.0376202537449029
Energy: 0.9411618877698517
Energy: 0.9804399122340928
Energy: 1.0114157551026495
Energy: 0.9383563416633918
Energy: 1.0145477934998701
Energy: 0.9671240408681938
Energy: 0.9818061784356229
Energy: 0.9855700536512668
Energy: 0.9735892233454368
Energy: 0.9767476481626542
Energy: 0.9795527712969365

minimum gb energy = 0.9383563416633918 eV
minimum distance =  2.32441991441576 Angstroms
sigma value = 9


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

Energy: 1.4518920741876191
Energy: 1.0435319572753743
Energy: 1.0272715842769566
Energy: 1.02045100626598
Energy: 1.0646530260297333
Energy: 1.029221160885582
Energy: 1.1465589540372658
Energy: 0.99878258224115
Energy: 0.9981567338109529
Energy: 1.007983356234149
Energy: 0.9984708753251952
Energy: 1.0093845872988372
Energy: 1.052088606106732
Energy: 1.040436479128768
Energy: 1.0642995696082291
Energy: 1.0457299761699503
Energy: 1.0382128969357722
Energy: 1.0396458507059607
Energy: 1.0194266526873959
Energy: 1.0201327181537583
Energy: 1.0183897612626749
Energy: 1.0286945912817347
Energy: 1.025039917101303
Energy: 1.0183005343940605
Energy: 1.0158903181897518
Energy: 0.9987751077546599
Energy: 1.0009383675012433
Energy: 1.0158527241882183
Energy: 0.9997509891411935
Energy: 1.002416580965356
Energy: 1.0136013424315637
Energy: 1.0058522958329843
Energy: 1.004282651455035
Energy: 1.0090267029082292
Energy: 1.0036026816243064
Energy: 1.0039941695546004
Energy: 1.023691250366952
Energy: 1.0599493554724693
Energy: 1.015715317793858
Energy: 0.9973794412786724
Energy: 1.0635297159882635
Energy: 1.0149478455632561
Energy: 1.0596735475334786
Energy: 1.0222165730518527
Energy: 1.0082368214471311
Energy: 1.004590022296403
Energy: 1.0219443108393564
Energy: 1.007972744275038
Energy: 1.1192467488873992
Energy: 0.9977595510005924
Energy: 0.999280409141362
Energy: 1.0446103475079904
Energy: 0.9976556637604631
Energy: 1.0398730755471206
Energy: 1.1184071936143725
Energy: 0.9972551778752153
Energy: 1.0016209669955107
Energy: 1.0537460125852285
Energy: 0.997712600711647
Energy: 1.0040345141083376
Energy: 1.0601326565084161
Energy: 1.009416700656863
Energy: 1.0072354041081204
Energy: 0.9949313462498891
Energy: 1.01346451699532
Energy: 1.0059295626506948
Energy: 1.0601682343982302
Energy: 1.0120939194941254
Energy: 1.0096992790319343
Energy: 0.998585254654795
Energy: 1.0093553192843738
Energy: 1.0091559507941443
Energy: 1.1383017935118018
Energy: 1.038189955422594
Energy: 1.0387960817403987
Energy: 1.0715937208659734
Energy: 1.039907645804524
Energy: 1.0607665976652945
Energy: 1.1343140137587917
Energy: 1.0461141248802917
Energy: 1.045679401019919
Energy: 1.0702127340027507
Energy: 1.0452715679045785
Energy: 1.0464877890490858
Energy: 1.0775821343292393
Energy: 1.0087171329200237
Energy: 1.0069338114468604
Energy: 0.9954116705127424
Energy: 1.0121100413349413
Energy: 1.0031272124350519
Energy: 1.0835015135402515
Energy: 1.058629784205578
Energy: 0.9896396961223078
Energy: 1.0431887164291223
Energy: 1.0436789742063304
Energy: 0.9983012765545392
Energy: 1.079350647129554
Energy: 1.019686104012971
Energy: 1.020898437751278
Energy: 1.0503369878787916
Energy: 1.046252862089561
Energy: 1.0227248485335199
Energy: 1.0829838334631396
Energy: 1.0428272982864613
Energy: 1.0420651463684614
Energy: 1.0427307763776539
Energy: 1.045310136697853
Energy: 1.0423578358377752
Energy: 1.05054417494755
Energy: 1.0115383661747501
Energy: 1.010819867919928
Energy: 1.042711555075822
Energy: 1.0239629549551725
Energy: 1.009364856524047
Energy: 1.0516817831046927
Energy: 1.0132403979640952
Energy: 1.0117686715022043
Energy: 1.0426634025552468
Energy: 1.018269205288645
Energy: 1.0410202884924706
Energy: 1.1038787772691352
Energy: 1.0109023760053395
Energy: 1.0101954349149949
Energy: 1.0269918414792345
Energy: 0.9976739285378867
Energy: 1.010480314826005

minimum gb energy = 0.9896396961223078 eV
minimum distance =  2.24712512508358 Angstroms
sigma value = 27


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

Energy: 0.9292583839815013
Energy: 1.2610999151965765
Energy: 0.9119125733329281
Energy: 0.9313413859820425
Energy: 1.2618230935549013
Energy: 0.9114749173848093
Energy: 1.1135450630375412
Energy: 0.9226325498927017
Energy: 0.9226269338895552
Energy: 0.9368696338212629
Energy: 0.9225887821155272
Energy: 0.9229002243391791
Energy: 0.9942783329771012
Energy: 0.9289838991250432
Energy: 0.9279161334504655
Energy: 0.937781402692791
Energy: 0.9335777965519351
Energy: 0.9282895595556153
Energy: 0.9886235639399972
Energy: 0.9225222768891127
Energy: 0.9223445643750767
Energy: 0.9292048508521836
Energy: 0.9225610947005235
Energy: 0.9225580969155304
Energy: 0.9485295366846442
Energy: 0.9250138227155684
Energy: 0.9235256820028734
Energy: 0.9485974786996435
Energy: 0.9221514188776284
Energy: 0.9233651886713953
Energy: 0.9970199255153783
Energy: 0.9305146232242615
Energy: 0.9298953092979203
Energy: 0.9382220093262776
Energy: 0.9289683630134499
Energy: 0.9296437213554928
Energy: 1.0383557743099505
Energy: 0.9154502972208672
Energy: 0.9144383933448218
Energy: 0.9250839290829602
Energy: 0.9115902597844856
Energy: 0.9134209270433735
Energy: 1.0613415764172756
Energy: 0.9388917333387851
Energy: 0.9214125732177081
Energy: 0.9219323320240175
Energy: 0.9493108972079507
Energy: 0.9211977904888181
Energy: 1.1140159613994782
Energy: 0.9306552173429654
Energy: 0.9282284414377865
Energy: 0.9217311571037111
Energy: 0.9290254255817024
Energy: 0.9287726192314396
Energy: 1.1139102273885992
Energy: 0.9292335504255019
Energy: 0.9216829570138182
Energy: 0.9220347186764087
Energy: 0.9289212423016043
Energy: 0.9228717124392009
Energy: 1.038042257340848
Energy: 0.9216158167180665
Energy: 0.9215043062029143
Energy: 0.922754851191273
Energy: 0.9496426655548639
Energy: 0.921734875513306
Energy: 1.0373605809319149
Energy: 0.9293347741634048
Energy: 0.9304287117103481
Energy: 0.9223070880159651
Energy: 0.9282775742081351
Energy: 0.9222241088463071
Energy: 0.939064054341816
Energy: 0.9235282349626432
Energy: 0.9118495047689651
Energy: 0.9381178775643346
Energy: 0.9226437081061515
Energy: 0.9118615148940916
Energy: 0.946949979762595
Energy: 0.921802481432416
Energy: 0.9211573576872512
Energy: 0.9485033829856027
Energy: 0.922968955163597
Energy: 0.9119838198899725
Energy: 0.9934407402752783
Energy: 0.9224569271450496
Energy: 0.9224562110656547
Energy: 0.9308476377551301
Energy: 0.9226890587011537
Energy: 0.9230582487908284
Energy: 0.9902290049098312
Energy: 0.923309092124142
Energy: 0.9288757754252012
Energy: 0.9307482754936193
Energy: 0.921952448365463
Energy: 0.9286312979406554
Energy: 0.9484382040366689
Energy: 0.9215246818897914
Energy: 0.9212665268228339
Energy: 0.9464567280197991
Energy: 0.9227120361869173
Energy: 0.921549328538345
Energy: 0.941850426620617
Energy: 0.9223897553134126
Energy: 0.9220604624686528
Energy: 0.9366355176715061
Energy: 0.922130007077718
Energy: 0.9375451744816901
Energy: 1.0367941248002437
Energy: 0.9119746403321207
Energy: 0.9120870927311994
Energy: 0.9220684445346853
Energy: 0.9473550110193357
Energy: 0.9117425859008301
Energy: 1.0396892068352337
Energy: 0.9120120931414197
Energy: 0.9121443930328061
Energy: 0.921390457688778
Energy: 0.949773945571548
Energy: 0.9117792352326946
Energy: 1.1146267196766464
Energy: 0.92997679140121
Energy: 0.9225415080504724
Energy: 0.9373396914252458
Energy: 0.928747442668278
Energy: 0.9220787297527167
Energy: 0.9390682373329157
Energy: 0.931066239451117
Energy: 0.9288559768399512
Energy: 0.9397304821879662
Energy: 0.9305163113874643
Energy: 0.9285514700270809
Energy: 1.059838358850496
Energy: 0.9366754702635125
Energy: 0.9230714217472424
Energy: 0.9224039744085646
Energy: 0.9371969864487555
Energy: 0.9228374723035466
Energy: 1.041543371626867
Energy: 0.9232465234620519
Energy: 0.9225807770792814
Energy: 0.9225527903219911
Energy: 0.9223274700097355
Energy: 0.9292165090354796
Energy: 0.9469593016974642
Energy: 0.9218959844484904
Energy: 0.9211529051663695
Energy: 0.9484843450356498
Energy: 0.9220896070024154
Energy: 0.9119517438065071

minimum gb energy = 0.9114749173848093 eV
minimum distance =  2.3029423658942 Angstroms
sigma value = 19


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

Energy: 1.4257080580430332
Energy: 0.9714562892877511
Energy: 0.9324433414417512
Energy: 0.9195410492514786
Energy: 1.0786270916117418
Energy: 0.9493005623746688
Energy: 1.044178010125418
Energy: 0.9669760531232142
Energy: 0.9394422357231218
Energy: 0.9391461041512059
Energy: 0.9657954008400333
Energy: 0.939091614393024
Energy: 1.0441218088142166
Energy: 0.9350067257417607
Energy: 0.9366622210162846
Energy: 0.9355776657730851
Energy: 0.9349277213011029
Energy: 0.9372069513118784
Energy: 0.9903620988519077
Energy: 0.9398729016692672
Energy: 0.9397911444786902
Energy: 0.9599499063227388
Energy: 0.9659253086645033
Energy: 0.9393704325543089
Energy: 0.9529169815445877
Energy: 0.9353558212810108
Energy: 0.9365485072168397
Energy: 0.9447781913256045
Energy: 0.9355426313562896
Energy: 0.9350177312238263
Energy: 0.9769367208096907
Energy: 0.9396309985115783
Energy: 0.9397668108066897
Energy: 0.9538616979365697
Energy: 0.9396521905837649
Energy: 0.9399392370019756
Energy: 0.9770441913126379
Energy: 0.9420876621867966
Energy: 0.9426680619475817
Energy: 1.0426598929704483
Energy: 0.9588692883176376
Energy: 0.9423975512599972
Energy: 1.0160093971436386
Energy: 0.9328096952070051
Energy: 0.9395331600178928
Energy: 1.0170687722292326
Energy: 0.9326256855962927
Energy: 0.9394518875079683
Energy: 0.9492066828939799
Energy: 0.940062228462919
Energy: 0.9399385557416423
Energy: 0.9497618150182557
Energy: 0.9401133242965037
Energy: 0.9390473124152551
Energy: 0.9559391907906405
Energy: 0.9556088458153509
Energy: 0.954038486817577
Energy: 0.9531213267493961
Energy: 0.9541174214980991
Energy: 0.9357568910138945
Energy: 1.0557144145456585
Energy: 0.922490885833453
Energy: 0.9219269083620261
Energy: 0.9290103955431277
Energy: 0.9246095433240279
Energy: 0.9228999116055198
Energy: 1.0581004531425813
Energy: 0.9353385251947877
Energy: 0.9205836043829987
Energy: 0.9205537945660923
Energy: 0.9253905400101043
Energy: 0.9206633239703473
Energy: 0.998872933001534
Energy: 0.9529020028428777
Energy: 0.9435101565607582
Energy: 0.9194815993622253
Energy: 0.9563479169314069
Energy: 0.9823503897507843
Energy: 1.065550259321821
Energy: 0.9352948609667981
Energy: 0.935170670770642
Energy: 0.9206661276435417
Energy: 0.9661999024149922
Energy: 0.9409162650467261
Energy: 1.0538635121315914
Energy: 0.9204133777840993
Energy: 0.9200255380051807
Energy: 0.9205349060665118
Energy: 0.9280088817411495
Energy: 0.9200084530587708
Energy: 1.0510384401488353
Energy: 0.9297389184897423
Energy: 0.9206600859448747
Energy: 0.9206321573975986
Energy: 0.9204367767410798
Energy: 0.9207859551799388
Energy: 0.9721233393422936
Energy: 0.9453725572209847
Energy: 0.9182027586302837
Energy: 0.9224761577832655
Energy: 0.9203192334225978
Energy: 0.9576651128780266
Energy: 1.0276413234318904
Energy: 0.920349343292678
Energy: 0.9203661993643689
Energy: 0.9197845080245818
Energy: 0.921623931099781
Energy: 0.9204747500397792
Energy: 1.037474386367777
Energy: 0.9184387647130708
Energy: 0.9182992118535941
Energy: 0.9600563749962608
Energy: 0.920415214106079
Energy: 0.9203753991574171
Energy: 0.9273429785742984
Energy: 0.9183191339905594
Energy: 0.9181861233562661
Energy: 0.9549998651302947
Energy: 0.9204628746870318
Energy: 0.920255623311353
Energy: 0.9253562777239166
Energy: 0.9204848378786852
Energy: 0.9202134446485118
Energy: 0.9283475396234412
Energy: 0.9205436677223402
Energy: 0.9200233141712075
Energy: 0.924457833929998
Energy: 0.9203715806982308
Energy: 0.9200937210533101
Energy: 0.9284677759807696
Energy: 0.9205946955462294
Energy: 0.9200245666934933
Energy: 0.9889469912243096
Energy: 0.9148277708703462
Energy: 0.9148036052740802
Energy: 0.93508066844937
Energy: 0.9178465531991022
Energy: 0.9472285117016135
Energy: 1.0247538539933485
Energy: 0.9146186320141461
Energy: 0.9217635365154899
Energy: 1.0004807186745328
Energy: 0.9214930834555185
Energy: 0.9217808567370291
Energy: 1.0057478292323214
Energy: 0.9206011992884252
Energy: 0.9204216930291764
Energy: 0.9327335302581294
Energy: 0.9208720409443018
Energy: 0.920343912717565
Energy: 0.9683573992277136
Energy: 0.9207506088637117
Energy: 0.9214486593698691
Energy: 0.9347681801918174
Energy: 0.9209723363442146
Energy: 0.964424182901049
Energy: 1.04648628528507
Energy: 0.934985565076588
Energy: 0.9399229065350324
Energy: 0.935611331442403
Energy: 0.9356142875404024
Energy: 0.935436418819652
Energy: 1.0440396824380511
Energy: 0.9394484471422363
Energy: 0.9389052719014456
Energy: 0.9402693594813482
Energy: 0.9593422072443921
Energy: 0.9389736977585014
Energy: 1.022585780238636
Energy: 1.0349091504457304
Energy: 0.9395011908357147
Energy: 0.9122579503804216
Energy: 0.9742135390285714
Energy: 0.9201548601326146

minimum gb energy = 0.9122579503804216 eV
minimum distance =  2.26191260280345 Angstroms
sigma value = 101


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

Energy: 1.304899109606743
Energy: 1.0465385072171254
Energy: 1.0570969487913335
Energy: 1.1810713373857002
Energy: 1.0716787883932626
Energy: 1.183090229669871
Energy: 1.0213342937073715
Energy: 0.9142656124514581
Energy: 0.8989928406704972
Energy: 0.8890855692488223
Energy: 0.9046760762639832
Energy: 0.8981530990366815
Energy: 1.0212766763819043
Energy: 0.8899254886586542
Energy: 0.8902501448383695
Energy: 0.9246368908811609
Energy: 0.8902057103689908
Energy: 0.8913186198021512
Energy: 0.9446255267904449
Energy: 0.8985581481791381
Energy: 0.8988407254321125
Energy: 0.8891052007760947
Energy: 0.9033866742139307
Energy: 0.8894450524127538
Energy: 0.9020910191277848
Energy: 0.8907450363016985
Energy: 0.891392578029077
Energy: 0.8971560032876745
Energy: 0.9244478310803289
Energy: 0.9008854872627657
Energy: 0.940417851078696
Energy: 0.9170003867220633
Energy: 0.9165462840716355
Energy: 0.8979522634420639
Energy: 0.8895504899486901
Energy: 0.889330649322662
Energy: 1.0507956498526652
Energy: 0.8973717365496793
Energy: 0.8858713856187157
Energy: 1.0569087927783547
Energy: 0.8849200545990946
Energy: 0.8972636222709094
Energy: 0.8965825035834212
Energy: 0.899565594995785
Energy: 0.8991044821812122
Energy: 0.9492288213436839
Energy: 0.882342674655156
Energy: 0.8989389682543111
Energy: 0.8903013543766388
Energy: 0.889665845642935
Energy: 0.8893654040311371
Energy: 0.8885443990889205
Energy: 0.8900443519300945
Energy: 0.892118998609954
Energy: 0.886550688814978
Energy: 0.8898334692460875
Energy: 0.8900298917561271
Energy: 0.8887877699337903
Energy: 0.8899904137781877
Energy: 0.8903784142645185
Energy: 1.0334284542409524
Energy: 0.8737380350309216
Energy: 0.8740511217775732
Energy: 0.9851681398788261
Energy: 0.8754015551584704
Energy: 0.8753849740825914
Energy: 1.0284750139484313
Energy: 0.8895276765364287
Energy: 0.8902080664334989
Energy: 0.8893943193714822
Energy: 0.8895560268592306
Energy: 0.8900417197552976
Energy: 0.9291966505311171
Energy: 0.9020458701056417
Energy: 0.9021768283556356
Energy: 0.8812504582121122
Energy: 0.8845836267672105
Energy: 0.9017974946929814
Energy: 0.9283503449831173
Energy: 0.8903949854046653
Energy: 0.8905248914315922
Energy: 0.8884031931930023
Energy: 0.8893184830310588
Energy: 0.8900095535021402
Energy: 1.0223307660619805
Energy: 0.8903024116094006
Energy: 0.8904851251639591
Energy: 0.8895429375202492
Energy: 0.8875396734184607
Energy: 0.8920762970644562
Energy: 1.0209227022761491
Energy: 0.9039293522170875
Energy: 0.8898728730260607
Energy: 0.8993996511379109
Energy: 0.8979761264407677
Energy: 0.889512427035508
Energy: 0.9494584587557984
Energy: 1.0404639591144176
Energy: 0.9030387127332304
Energy: 0.8633512678024242
Energy: 1.045054258009388
Energy: 0.8733444570910318
Energy: 1.0536004123506246
Energy: 0.8993870125152084
Energy: 0.8998179443101447
Energy: 0.8964634591316174
Energy: 0.8890583725140134
Energy: 0.9218421517583503
Energy: 1.020814130654839
Energy: 0.888942729505924
Energy: 0.8984692017071072
Energy: 0.935299272528479
Energy: 0.8907862206931381
Energy: 0.9003360565864906
Energy: 1.0009749129908525
Energy: 0.8898681285262586
Energy: 0.8992606367108813
Energy: 0.8892030294297264
Energy: 0.9001498827046597
Energy: 0.8997153348010736
Energy: 0.9044186874452813
Energy: 0.8896019460866916
Energy: 0.8914224143987649
Energy: 0.8979587046934994
Energy: 0.8896073137381492
Energy: 0.8999678431002801
Energy: 0.9444970740262373
Energy: 0.9002206798807759
Energy: 0.9005221086038211
Energy: 0.896206404539303
Energy: 0.899680837264092
Energy: 0.9002142076761583
Energy: 1.071143675977987
Energy: 0.8859148775327792
Energy: 0.8869602654486081
Energy: 1.0717277179603748
Energy: 0.8816798578334037
Energy: 0.8881047222906464
Energy: 1.0516513900116629
Energy: 0.8850492225917352
Energy: 0.8854966643283938
Energy: 1.0460784816640332
Energy: 0.8810816680219751
Energy: 0.8896126058133657
Energy: 0.8988027843897465
Energy: 0.8999014945234056
Energy: 0.899348942145604
Energy: 0.9005725581410111
Energy: 0.8894076237879913
Energy: 0.8989005888287257
Energy: 0.8903778688480669
Energy: 0.889838106872053
Energy: 0.8903000343298179
Energy: 0.8852709822540737
Energy: 0.8895962248701141
Energy: 0.8895420000340762
Energy: 0.9910195089216802
Energy: 0.8752354127482455
Energy: 0.8753407094898566
Energy: 0.8892271802041237
Energy: 0.8755449340571437
Energy: 0.8748644211713563
Energy: 1.0225536950390495
Energy: 0.8733543913972585
Energy: 0.8734918601650189
Energy: 0.9468536837068223
Energy: 0.8691458784968138
Energy: 0.8899075505201017
Energy: 0.9282024995282601
Energy: 0.8896910560305562
Energy: 0.889819591905821
Energy: 0.8829771434435669
Energy: 0.8895809458781097
Energy: 0.8893997039279586
Energy: 0.9286785546374172
Energy: 0.8898032598853488
Energy: 0.890026222560929
Energy: 0.8812032546806197
Energy: 0.8893569621681384
Energy: 0.8897586648921612
Energy: 1.0223331780475013
Energy: 0.8885020778646083
Energy: 0.889130718335341
Energy: 0.8897693555918255
Energy: 0.8856542789168458
Energy: 0.890111276749335
Energy: 1.0217564379977708
Energy: 0.8898401297169306
Energy: 0.8984535832342929
Energy: 0.8896221141367983
Energy: 0.8998123239329382
Energy: 0.8986352870148084
Energy: 0.9498091330286174
Energy: 0.8903506726692899
Energy: 0.8994826146696235
Energy: 0.8636891947632451
Energy: 0.8899638415833322
Energy: 0.9026888008976681

minimum gb energy = 0.8633512678024242 eV
minimum distance =  2.25173701951622 Angstroms
sigma value = 33


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

Energy: 0.01409614714442918
Energy: 0.7591243210672094
Energy: 0.014783026224706319
Energy: 0.01564447153585921
Energy: 0.760952210110382
Energy: 0.014612554401711834
Energy: 0.44984528661639506
Energy: 0.11087503338318011
Energy: 0.10942952031662215
Energy: 0.1088078853716928
Energy: 0.11060941971260682
Energy: 0.10926286353988836
Energy: 1.1034292141137416
Energy: 0.7620431254293767
Energy: 0.7603070347055296
Energy: 0.758546517677899
Energy: 0.7584487670640695
Energy: 0.7599102633928282
Energy: 0.014932137954383536
Energy: 0.11087503335368783
Energy: 0.10942952031919727
Energy: 0.1088078853913462
Energy: 0.11060941973226024
Energy: 0.1092628635189474

minimum gb energy = 0.01409614714442918 eV
minimum distance =  2.54116923511617 Angstroms
sigma value = 1