Model name: model_name=EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999994635582
cohesive_energy=3.5402781770682505
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=[1.4500627800147719e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.53563387672328e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.00930524461851e-07 eV

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

Energy: 0.013653325738243918
Energy: 0.42597210978033684
Energy: 0.01412788581200591
Energy: 0.013855682419318515
Energy: 0.4258922696865055
Energy: 0.014010127877666128
Energy: 0.42597210978033684
Energy: 0.09808381923213627
Energy: 0.09950522462320864
Energy: 0.0981657551032872
Energy: 0.09817291157535143
Energy: 0.09930698906392606
Energy: 0.014127885813225497
Energy: 0.09950522462812185
Energy: 0.09912703795788362
Energy: 0.014156370075984775
Energy: 0.09818839613664462
Energy: 0.09882061788342587
Energy: 0.013855682419318515
Energy: 0.09816575510238124
Energy: 0.01415637007504395
Energy: 0.013937787065725791
Energy: 0.09813491331336538
Energy: 0.014032177062660864
Energy: 0.4258922696871328
Energy: 0.09817291157566505
Energy: 0.09818839613727184
Energy: 0.09813491331305178
Energy: 0.09814416679519465
Energy: 0.0980539310432102
Energy: 0.014010127878606954
Energy: 0.09930698906392606
Energy: 0.09882061788311229
Energy: 0.014032177062974474
Energy: 0.09805393104352382
Energy: 0.014097502627173629

minimum gb energy = 0.013653325738243918 eV
minimum distance =  2.55235887320412 Angstroms
sigma value = 1


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

Energy: 1.1985949412051549
Energy: 0.7745717889653272
Energy: 0.8025970651998415
Energy: 0.7307452895333474
Energy: 1.1329573827656192
Energy: 0.802675060411846
Energy: 1.0816569890511312
Energy: 0.742476600942092
Energy: 0.7484517122644206
Energy: 0.7451141075811849
Energy: 0.7491022929136705
Energy: 0.7576234214106865
Energy: 0.755294980069179
Energy: 0.7480711500603596
Energy: 0.760135237412638
Energy: 0.7624091126559329
Energy: 0.7478235615449537
Energy: 0.7475063646843721
Energy: 1.1939580586277678
Energy: 0.7487794151677648
Energy: 0.7520702222541168
Energy: 0.7482627134247998
Energy: 0.7476382184721011
Energy: 0.7534414903265234
Energy: 1.0820377984922003
Energy: 0.7564046251442698
Energy: 0.7561108256838274
Energy: 0.7441905239465069
Energy: 0.757370964883473
Energy: 0.7549156617356593
Energy: 1.0785023599412058
Energy: 0.7671554372823424
Energy: 0.7594011427580287
Energy: 0.7410510027765944
Energy: 0.7605481905982804
Energy: 0.7603660244146196
Energy: 1.0805002989350332
Energy: 0.7608522623129367
Energy: 0.7612658159857684
Energy: 0.7506490933717643
Energy: 0.7533030181588998
Energy: 0.7600362708084574
Energy: 1.0395809317282776
Energy: 0.7603834051814901
Energy: 0.7612606589384392
Energy: 0.707516046116993
Energy: 0.7597967125385857
Energy: 0.7613091685738373
Energy: 0.877843503889437
Energy: 0.7530973183999915
Energy: 0.7511568618313543
Energy: 0.7603493230718027
Energy: 0.7517624352558367
Energy: 0.7581628253806374
Energy: 0.8723710465505162
Energy: 0.7579321616259411
Energy: 0.7564676608106913
Energy: 0.7482414545590108
Energy: 0.7446429259673132
Energy: 0.756706632783104
Energy: 0.865062851870561
Energy: 0.747632736677751
Energy: 0.7462742446489185
Energy: 0.7818193632879264
Energy: 0.7468732954558108
Energy: 0.7508768653005073
Energy: 0.781384517018784
Energy: 0.7561197870372941
Energy: 0.7492053889213489
Energy: 0.7472292096360528
Energy: 0.7608232472280366
Energy: 0.7548639794725109
Energy: 0.7805179516881345
Energy: 0.7454155514254162
Energy: 0.7454174452782096
Energy: 0.7556550430739913
Energy: 0.7582958876557526
Energy: 0.7582502916071724
Energy: 0.8426200249602269
Energy: 0.745791674512625
Energy: 0.7522932494465087
Energy: 0.7614304657241701
Energy: 0.7471060812253205
Energy: 0.745856869856141
Energy: 0.8094051701114277
Energy: 0.7443113242376349
Energy: 0.754979798980853
Energy: 0.7656618585317626
Energy: 0.7438881884521383
Energy: 0.7492890832223816
Energy: 0.8133873127019374
Energy: 0.7540253494519857
Energy: 0.7475161335426225
Energy: 0.762639298064738
Energy: 0.7644795196304185
Energy: 0.7552981705149857
Energy: 1.0001931919347866
Energy: 0.7589437690473329
Energy: 0.7589250853066101
Energy: 0.7417352577245073
Energy: 0.7588468072771406
Energy: 0.7554400989970157
Energy: 0.9752135390099931
Energy: 0.7659882941379947
Energy: 0.7641765884493301
Energy: 0.7622066224618438
Energy: 0.7448754999381457
Energy: 0.7640214285252542
Energy: 0.9771106421356445
Energy: 0.7637971386866136
Energy: 0.7643121321933934
Energy: 0.7477774042489865
Energy: 0.7631600122551968
Energy: 0.7636305270335478
Energy: 1.0330564836763674
Energy: 0.7637935545985817
Energy: 0.7644605344632861
Energy: 0.7456432443230362
Energy: 0.7548968300230068
Energy: 0.7636237088056929
Energy: 1.1259341324052763
Energy: 0.7510866724620271
Energy: 0.7471132032888274
Energy: 0.7466538633596833
Energy: 0.7416180291828856
Energy: 0.7488448447020161
Energy: 1.1288593785136256
Energy: 0.7663434726693489
Energy: 0.7612308956572604
Energy: 0.7610604768312124
Energy: 0.7656106833166489
Energy: 0.7482249365179903
Energy: 1.120986319097049
Energy: 0.7514168389677097
Energy: 0.7568536577397863
Energy: 0.7516280804293729
Energy: 0.7432840282366968
Energy: 0.7566506289705026

minimum gb energy = 0.707516046116993 eV
minimum distance =  2.37053908639259 Angstroms
sigma value = 33


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

Energy: 1.430334464874548
Energy: 0.7685720462265054
Energy: 0.794455770697145
Energy: 0.8011597543938501
Energy: 0.820414255920079
Energy: 0.8729283966287412
Energy: 0.7828438473515915
Energy: 0.7722302081128506
Energy: 0.7494401721709877
Energy: 0.791917837840721
Energy: 0.7829836032323616
Energy: 0.7727091334131111
Energy: 0.8242892896798687
Energy: 0.7756153648507961
Energy: 0.7774811004785785
Energy: 0.8436578985528368
Energy: 0.7952888912174512
Energy: 0.7844378992851385
Energy: 1.1616409967507975
Energy: 0.8707344556300632
Energy: 0.7953347863889166
Energy: 0.8273360290791674
Energy: 0.7928239900943491
Energy: 0.8178395734463763
Energy: 0.7844677393799303
Energy: 0.7652538715975671
Energy: 0.7659189118568362
Energy: 0.7715905323478527
Energy: 0.7845188290353499
Energy: 0.792387707637757
Energy: 1.1189465031142127
Energy: 0.7725325060713897
Energy: 0.781671015988267
Energy: 0.8422682449359998
Energy: 0.7972614930051264
Energy: 0.9032469858795487
Energy: 1.1190093756226398
Energy: 0.844335647684044
Energy: 0.8420181725650089
Energy: 0.8521563346539297
Energy: 0.832664865623677
Energy: 0.8427516843265023
Energy: 0.8241831540578156
Energy: 0.8459101117494771
Energy: 0.848303751801245
Energy: 0.792268935857586
Energy: 0.8457440411399976
Energy: 0.8474558542567096
Energy: 0.8521123467686168
Energy: 0.8459974558386512
Energy: 0.8548214479370876
Energy: 0.8673523865319761
Energy: 0.8434688436453435
Energy: 0.8588573135736327
Energy: 0.9313754022116214
Energy: 0.8515447058354996
Energy: 0.8512665445220917
Energy: 0.8629074769673997
Energy: 0.9209897929530038
Energy: 0.8528287444480933
Energy: 0.8801392791751542
Energy: 0.7418986581805567
Energy: 0.7418227918224698
Energy: 0.8594877477347607
Energy: 0.7807638545714521
Energy: 0.7804347725764853
Energy: 0.843914357560126
Energy: 0.7842079674733629
Energy: 0.8215480218746636
Energy: 0.8519042247856552
Energy: 0.8162983779651857
Energy: 0.8284690040651118
Energy: 0.8434182405703773
Energy: 0.8578983136914987
Energy: 0.8540242520142842
Energy: 0.8497735924018484
Energy: 0.835249308999885
Energy: 0.8458190555420882
Energy: 0.8696444107140194
Energy: 0.8284581879379213
Energy: 0.8176767218075933
Energy: 0.921059712892634
Energy: 0.8286429991464039
Energy: 0.8185946526623066
Energy: 0.8636589379255035
Energy: 0.8446383050810795
Energy: 0.8476929835362611
Energy: 0.850817971442064
Energy: 0.8465028443875434
Energy: 0.8340304447101364
Energy: 0.8581831648001923
Energy: 0.8438041626933057
Energy: 0.8459783068104182
Energy: 0.8546642095348144
Energy: 0.918768397949666
Energy: 0.9017312564748826
Energy: 0.9952263211884691
Energy: 0.9005544681250061
Energy: 0.9013989886379672
Energy: 0.8869476968749305
Energy: 0.8998614840642504
Energy: 0.9010084897317064
Energy: 1.0227066650517749
Energy: 0.8558508447452233
Energy: 0.8571923076584455
Energy: 0.8451760246574358
Energy: 0.8468982264673299
Energy: 0.8469374069518054
Energy: 0.9686821798170864
Energy: 0.9168039399724154
Energy: 0.9151947707870238
Energy: 0.8463171141107109
Energy: 0.9178275017558127
Energy: 0.9142334977535439
Energy: 0.8774436366729348
Energy: 0.9152536278471992
Energy: 0.9077780713703352
Energy: 0.9076649526086752
Energy: 0.9161163191707486
Energy: 0.9043546223670198
Energy: 1.227256402928324
Energy: 0.8307493105039478
Energy: 0.7414879127904234
Energy: 0.7416021705451499
Energy: 0.8309858474643494
Energy: 0.7414452158778146
Energy: 0.738546450892954
Energy: 0.889468623269268
Energy: 0.8908584303092814
Energy: 0.7834725851523232
Energy: 0.9053249291776484
Energy: 0.8758141732622787
Energy: 0.9349310503347994
Energy: 0.9067289614074825
Energy: 0.8890758187687126
Energy: 0.896368091670797
Energy: 0.9074331025467455
Energy: 0.9073473759602179
Energy: 0.8243541125582704
Energy: 0.9428110633468348
Energy: 0.9491096129434999
Energy: 0.8176567382129301
Energy: 0.9201764729727815
Energy: 0.8576955037156181
Energy: 0.8742958120746548
Energy: 0.91702481822731
Energy: 0.9217595107339427
Energy: 0.9087141559834474
Energy: 0.9180986908235088
Energy: 0.9126967503693246
Energy: 0.8540832069241846
Energy: 0.9125678430734492
Energy: 0.9007243437024048
Energy: 0.9199816899970481
Energy: 0.9141285174859514
Energy: 0.901884281913096
Energy: 0.8511456320008373
Energy: 0.825273581504487
Energy: 0.8242926174560551
Energy: 0.8327829004871683
Energy: 0.840036452945407
Energy: 0.8310962382186494
Energy: 0.8364319252156311
Energy: 0.8451209205765103
Energy: 0.8470991979937652
Energy: 0.858489859657328
Energy: 0.8449386090201331
Energy: 0.8498890450027755
Energy: 0.916430796177026
Energy: 0.8451907095067521
Energy: 0.8472401896967672
Energy: 0.8575122616527364
Energy: 0.8449912102519408
Energy: 0.8523562927450746
Energy: 0.9300125037220656
Energy: 0.9227538315593654
Energy: 0.8528246106030027
Energy: 0.8535239971764069
Energy: 0.8485209660324625
Energy: 0.849846835928588
Energy: 0.921281796195931
Energy: 0.779860225536331
Energy: 0.7795000326565162
Energy: 0.842393054386411
Energy: 0.7416748520295022
Energy: 0.7414475090757727
Energy: 0.8521614250923125
Energy: 0.7865388694235859
Energy: 0.7693128861532377
Energy: 0.8423734015449224
Energy: 0.7848141965485799
Energy: 0.8221390286190631
Energy: 0.854760825105453
Energy: 0.9237350941304884
Energy: 0.8519954080139936
Energy: 0.8424816901732006
Energy: 0.8353457969174088
Energy: 0.8197505860122191
Energy: 0.8535514187978407
Energy: 0.8176793838944039
Energy: 0.8179149073791924
Energy: 0.8533138657716459
Energy: 0.8284394236631025
Energy: 0.8196490087741074
Energy: 0.8412044216217764
Energy: 0.91708940679928
Energy: 0.8570105791206769
Energy: 0.8469353860538709
Energy: 0.858312170074568
Energy: 0.8610097672931482
Energy: 0.8591441713272429
Energy: 0.8333530087470921
Energy: 0.7709346810994894
Energy: 0.8732450598621134
Energy: 0.8540853780124101
Energy: 0.856584101789324
Energy: 0.8512603670149044
Energy: 0.7836039206883273
Energy: 0.7767019886381836
Energy: 0.7815349268298315
Energy: 0.7734454850190379
Energy: 0.7704315514687156
Energy: 0.8794377092013463
Energy: 0.9134354348338133
Energy: 0.7924384357100015
Energy: 0.8393450226289921
Energy: 0.7914425471529671
Energy: 0.8499262395124851
Energy: 1.0207979617401113
Energy: 0.7790268760222813
Energy: 0.7911716299908891
Energy: 0.8453585262145227
Energy: 0.7983035848036744
Energy: 0.8470787484944208
Energy: 0.7565911626457519
Energy: 0.801428738239939
Energy: 0.7773195120224365
Energy: 0.7901870272088329
Energy: 0.8018088414198791
Energy: 0.7751914025004775
Energy: 0.8322007759292208
Energy: 0.7791305897187559
Energy: 0.7414511439114403
Energy: 0.7413404204554752
Energy: 0.7671694851459336
Energy: 0.8159070042761551

minimum gb energy = 0.738546450892954 eV
minimum distance =  2.32934805161475 Angstroms
sigma value = 51


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

Energy: 1.2432397994046185
Energy: 0.8148635175825941
Energy: 0.7780055670753817
Energy: 0.7756301977855716
Energy: 0.7647462071802188
Energy: 0.8232236449351029
Energy: 0.9496479888004853
Energy: 0.8021683111561759
Energy: 0.7896125043965181
Energy: 0.7547744719217464
Energy: 0.8019300732065072
Energy: 0.7749095319656945
Energy: 1.1195344303503711
Energy: 0.8023034544645429
Energy: 0.7747091344556364
Energy: 0.7750439748971216
Energy: 0.8026839601864632
Energy: 0.7986023041067679
Energy: 1.1157512719243807
Energy: 0.7753303242128041
Energy: 0.7755256699531033
Energy: 0.7859823714925808
Energy: 0.7755385759678901
Energy: 0.7864180492489861
Energy: 0.9516159274046886
Energy: 0.8087817312619433
Energy: 0.8079777271169102
Energy: 0.7691902409305295
Energy: 0.7981329560086473
Energy: 0.8072848807038032
Energy: 0.9509217661850423
Energy: 0.8072327110195429
Energy: 0.8073496766337875
Energy: 0.7982299136093057
Energy: 0.8066202107296155
Energy: 0.8071854609674847
Energy: 0.9511224682582811
Energy: 0.7688512687373228
Energy: 0.7682651064462803
Energy: 0.7980865373532602
Energy: 0.7550235061386891
Energy: 0.8067207475326411
Energy: 0.9368972683939383
Energy: 0.774228476422256
Energy: 0.7747782350436685
Energy: 0.7921002232278642
Energy: 0.7738578902847414
Energy: 0.774625377491946
Energy: 0.803059138358171
Energy: 0.7783649472695435
Energy: 0.7790839218017275
Energy: 0.8028497254355212
Energy: 0.7792815135956865
Energy: 0.7953612227523504
Energy: 0.8020502786072459
Energy: 0.7783112985507475
Energy: 0.7767432157979882
Energy: 0.8021700185863373
Energy: 0.7788874149442412
Energy: 0.7894351830325272
Energy: 0.8202118710894986
Energy: 0.7754334517733164
Energy: 0.7741981558727875
Energy: 0.7808211597651533
Energy: 0.7777891928338843
Energy: 0.774988296091397
Energy: 0.8374994227679896
Energy: 0.7788543513879161
Energy: 0.77874282903141
Energy: 0.7854463174788204
Energy: 0.7757521545101241
Energy: 0.8086486200780866
Energy: 0.8371718391874254
Energy: 0.7864452717224152
Energy: 0.7960953764003409
Energy: 0.8061728850836295
Energy: 0.7780869548624963
Energy: 0.7958886897471033
Energy: 0.8381939185814711
Energy: 0.788480868026544
Energy: 0.7884151540107831
Energy: 0.7752831502533241
Energy: 0.788357876007658
Energy: 0.7884841058142562
Energy: 1.0164755722784407
Energy: 0.7785477486618911
Energy: 0.7777673194695174
Energy: 0.7888570736565018
Energy: 0.7871186396562688
Energy: 0.778013580180818
Energy: 1.0182655106292948
Energy: 0.8090986280059522
Energy: 0.788150535317741
Energy: 0.7909579263192872
Energy: 0.8089006046933461
Energy: 0.7920514092825879
Energy: 1.0256258763187778
Energy: 0.8082266154643495
Energy: 0.8074843781669536
Energy: 0.8063905597317106
Energy: 0.8084764600716723
Energy: 0.7960829983258813
Energy: 1.211198536012689
Energy: 0.7864068694713134
Energy: 0.7920108143935026
Energy: 0.7732009999105829
Energy: 0.7860815847732937
Energy: 0.7775879237291233

minimum gb energy = 0.7547744719217464 eV
minimum distance =  2.37043788895511 Angstroms
sigma value = 19


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

Energy: 1.0504024474442573
Energy: 0.7484144349327357
Energy: 0.7689631088276708
Energy: 0.8491356715846641
Energy: 0.7476607872664895
Energy: 0.768214457551539
Energy: 0.8967469859153103
Energy: 0.7478882849971292
Energy: 0.7477983726058641
Energy: 0.7757777981590535
Energy: 0.7477211760335807
Energy: 0.7478395617295479
Energy: 0.8947125452571886
Energy: 0.7480266705211948
Energy: 0.7479727186176486
Energy: 0.7811656865232812
Energy: 0.7479614350021876
Energy: 0.7477667122519827
Energy: 0.8902217621518452
Energy: 0.7481749661641615
Energy: 0.7476657090952563
Energy: 0.771499268451261
Energy: 0.7475121810370422
Energy: 0.7477946128511985
Energy: 0.8965966972066544
Energy: 0.747770159794501
Energy: 0.7750632602528958
Energy: 0.7760202781810296
Energy: 0.7476459799775582
Energy: 0.7754876750443924
Energy: 0.8968782922786468
Energy: 0.7267635414261716
Energy: 0.7744865240935641
Energy: 0.7765619522269479
Energy: 0.7267759811279806
Energy: 0.7751685440914167
Energy: 0.896414716775097
Energy: 0.775241265328155
Energy: 0.7749569438870793
Energy: 0.7765462443222734
Energy: 0.7343292228007847
Energy: 0.7759700509245114
Energy: 0.8423080811052839
Energy: 0.7348373234042389
Energy: 0.7345181035485352
Energy: 0.74845120499281
Energy: 0.7438500237262141
Energy: 0.727768688895316
Energy: 0.7478512761342196
Energy: 0.7351876358401656
Energy: 0.7274780645001507
Energy: 0.7478539101369033
Energy: 0.734608613020306
Energy: 0.726786317008074
Energy: 0.7488663108626121
Energy: 0.7483651027325057
Energy: 0.7479626009175077
Energy: 0.7480084538322194
Energy: 0.7809232994422741
Energy: 0.747875545226115
Energy: 0.7461735818362797
Energy: 0.7720444686156543
Energy: 0.7724194667340638
Energy: 0.7471436483298797
Energy: 0.7728055477090219
Energy: 0.7476254462370365
Energy: 0.8951675804966412
Energy: 0.7766896800133303
Energy: 0.7745667458731037
Energy: 0.7474408097665846
Energy: 0.7807918558373287
Energy: 0.7476572823282995
Energy: 0.7265561974719837
Energy: 0.7756794732195458
Energy: 0.7758665915935721
Energy: 0.7288388301183543
Energy: 0.7765248150524229
Energy: 0.7761166655841617
Energy: 0.8960721570994998
Energy: 0.775545575226515
Energy: 0.7755812867497558
Energy: 0.747836915383923
Energy: 0.7755594598640825
Energy: 0.7753836327572416
Energy: 1.0552224071611596
Energy: 0.7478283824654083
Energy: 0.7479104134077449
Energy: 0.7347560159847414
Energy: 0.7476672070103616
Energy: 0.7272351113790915
Energy: 1.052303848741398
Energy: 0.7495821556117411
Energy: 0.7282146327713004
Energy: 0.728788230011536
Energy: 0.7479782734261334
Energy: 0.7343985942123028
Energy: 0.8967621086606404
Energy: 0.7478290803951784
Energy: 0.7478873794613072
Energy: 0.7755830917823324
Energy: 0.7479194679754091
Energy: 0.7479123140138481
Energy: 0.8915259608987227
Energy: 0.7477137533335297
Energy: 0.7478224238245389
Energy: 0.7714966739937305
Energy: 0.7477911488886032
Energy: 0.7478311275344178
Energy: 0.8887170014727682
Energy: 0.748066323994326
Energy: 0.7479574589976077
Energy: 0.7715631909431387
Energy: 0.7480426456006293
Energy: 0.7479704128802906
Energy: 0.896067015390758
Energy: 0.7267195433982572
Energy: 0.7755447796132718
Energy: 0.7751525871833959
Energy: 0.7265769573479905
Energy: 0.774097634436156
Energy: 0.8923269572914384
Energy: 0.7749332547176854
Energy: 0.775046589904602
Energy: 0.7766582683224528
Energy: 0.7477438587777595
Energy: 0.7753957334912299
Energy: 0.8957717650043096
Energy: 0.7752963050270454
Energy: 0.7748714302562556
Energy: 0.7748959429530665
Energy: 0.7345577177883419
Energy: 0.7747505499504422
Energy: 0.8441952289474605
Energy: 0.7287412214434152
Energy: 0.7280303122338821
Energy: 0.8444362676584007
Energy: 0.7278403391278163
Energy: 0.7269474169462228
Energy: 0.747804365577495
Energy: 0.7489213318710181
Energy: 0.7480078311480226
Energy: 0.7476867776223945
Energy: 0.767142383071594
Energy: 0.747823687298252
Energy: 0.7478641249105672
Energy: 0.7574774099263463
Energy: 0.7479855744906522
Energy: 0.7480020805372921
Energy: 0.7810739392464026
Energy: 0.7478779515343047
Energy: 0.845444741272272
Energy: 0.7719680770088978
Energy: 0.7728849753063233
Energy: 0.8451265349809018
Energy: 0.771511392754477
Energy: 0.7476618566479848
Energy: 0.8957676204893685
Energy: 0.7750986618508935
Energy: 0.7753842305007551
Energy: 0.7477433592539035
Energy: 0.7765953484080532
Energy: 0.7751289775331697
Energy: 0.7266092310591339
Energy: 0.7766052794683184
Energy: 0.7755799209143356
Energy: 0.7267149219754708
Energy: 0.7766211800418503
Energy: 0.7739628160863372
Energy: 0.8447893786741473
Energy: 0.7763519729564531
Energy: 0.7757794636489806
Energy: 0.7348033168356065
Energy: 0.7767604546834314
Energy: 0.7754674504669912
Energy: 1.0538252102979666
Energy: 0.748152799981484
Energy: 0.7267437940539057
Energy: 0.741914353107558
Energy: 0.7479533996132206
Energy: 0.7355522670014405

minimum gb energy = 0.7265561974719837 eV
minimum distance =  2.39968845190638 Angstroms
sigma value = 27


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

Energy: 0.8964689383926725
Energy: 0.7208586367311629
Energy: 0.8985123920433699
Energy: 0.754175066773555
Energy: 0.7207175718038376
Energy: 0.7905891321856762
Energy: 0.8767264461476868
Energy: 0.7524947485262977
Energy: 0.7035835569464612
Energy: 0.7084736986242888
Energy: 0.7524001141792347
Energy: 0.6724759182555918
Energy: 0.8031320625727706
Energy: 0.7533564237618441
Energy: 0.7034174095841059
Energy: 0.6727416144453805
Energy: 0.753561487849926
Energy: 0.7053302540144946
Energy: 0.8041513605811754
Energy: 0.7044562945349809
Energy: 0.7052036593571442
Energy: 0.6959066476523514
Energy: 0.7202185841198572
Energy: 0.7032837643651051
Energy: 0.8770712584438707
Energy: 0.684335055412319
Energy: 0.6939138734549664
Energy: 0.7535478584315286
Energy: 0.6871372119462261
Energy: 0.6951253364507328
Energy: 0.7524980021818783
Energy: 0.6851934015195751
Energy: 0.6841610683962692
Energy: 0.7525228789268118
Energy: 0.6887372824381783
Energy: 0.6838661821217416
Energy: 0.753575744636169
Energy: 0.6950672724446064
Energy: 0.6941013889393148
Energy: 0.7538397216414654
Energy: 0.7076956232456751
Energy: 0.7044012582762761
Energy: 0.7533741382596474
Energy: 0.6905770816526235
Energy: 0.690724355142779
Energy: 0.7535539768287556
Energy: 0.6903992276716918
Energy: 0.6911837470502002
Energy: 0.8031793987304077
Energy: 0.6900635461583197
Energy: 0.672212122270715
Energy: 0.7527210117907311
Energy: 0.6906725613925002
Energy: 0.7031053166456418
Energy: 0.7021361040515813
Energy: 0.7255598612818615
Energy: 0.725643947920933
Energy: 0.7399440355442848
Energy: 0.6954402928579068
Energy: 0.7341810648480707
Energy: 0.8034052644954931
Energy: 0.74131054275354
Energy: 0.7392059034924486
Energy: 0.7047735899928176
Energy: 0.7410552994276455
Energy: 0.7381645570469546
Energy: 0.7856866708804732
Energy: 0.7035504670130488
Energy: 0.7030871599688053
Energy: 0.7087504800046746
Energy: 0.7534417912281081
Energy: 0.6724224294558562

minimum gb energy = 0.672212122270715 eV
minimum distance =  2.41790968542439 Angstroms
sigma value = 9


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

Energy: 1.4935390628036307
Energy: 0.7115491606617522
Energy: 0.6254729863829778
Energy: 0.6503073702183482
Energy: 0.7118804714514555
Energy: 0.6543269233926486
Energy: 0.685877029884694
Energy: 0.6530544922615252
Energy: 0.6482584932978601
Energy: 0.6345280062844616
Energy: 0.6528135851502641
Energy: 0.6360725043327164
Energy: 0.6850524848009297
Energy: 0.6530916064971772
Energy: 0.6532916473967676
Energy: 0.6511026694033094
Energy: 0.6540057584067757
Energy: 0.6472119408366256
Energy: 0.686279792290349
Energy: 0.6151174839576066
Energy: 0.6146970092644403
Energy: 0.6484870168050647
Energy: 0.6606440888829838
Energy: 0.6146336508952828
Energy: 0.7256298354056828
Energy: 0.6337433873774517
Energy: 0.6655723433241137
Energy: 0.6629255169558153
Energy: 0.6334052930350276
Energy: 0.6447859365868756
Energy: 0.6634536918936571
Energy: 0.6279287458182673
Energy: 0.6647532504992028
Energy: 0.6635436456576489
Energy: 0.6342266668834209
Energy: 0.6365969284055908
Energy: 0.6631961753277337
Energy: 0.6152844449226527
Energy: 0.6145694512454625
Energy: 0.664275639836588
Energy: 0.6348178603940647
Energy: 0.6688262977694461
Energy: 0.665414013765161
Energy: 0.6413660155791141
Energy: 0.6473793791598735
Energy: 0.662984729920811
Energy: 0.6414652444499453
Energy: 0.6329068705669247
Energy: 0.7858122816301905
Energy: 0.6476369918184165
Energy: 0.6695176279004049
Energy: 0.6678568931493124
Energy: 0.6514776802712414
Energy: 0.6528994939851833
Energy: 0.6351876116852188
Energy: 0.6159408862136319
Energy: 0.6178012723761189
Energy: 0.6334532588612749
Energy: 0.6562868243682214
Energy: 0.6150336658561907
Energy: 0.6285278603687486
Energy: 0.6633528540092434
Energy: 0.6684046471243642
Energy: 0.6431511658538221
Energy: 0.6633255011241624
Energy: 0.6659666205756918
Energy: 0.7994486730069769
Energy: 0.6638068611468357
Energy: 0.6638224728307612
Energy: 0.6258819149686187
Energy: 0.6638194423034859
Energy: 0.6453054095191858
Energy: 0.9137790918313423
Energy: 0.7915249435223288
Energy: 0.6129025448029927
Energy: 0.6168678706984274
Energy: 0.6494719139556656
Energy: 0.6162041082533722
Energy: 0.7958072220337438
Energy: 0.6636345940911005
Energy: 0.6444238626367705
Energy: 0.6259478743324887
Energy: 0.6631749153591658
Energy: 0.6455408103921759
Energy: 0.6531697881017426
Energy: 0.64595960540394
Energy: 0.6458262429347258
Energy: 0.6532438362868851
Energy: 0.6476571671728497
Energy: 0.6881643427888893
Energy: 0.6533325151819878
Energy: 0.6351318097183121
Energy: 0.6522739278459542
Energy: 0.6539179330843854
Energy: 0.6507731960755796
Energy: 0.6468349873097283
Energy: 0.6519595844862539
Energy: 0.6245739541407668
Energy: 0.64358450392106
Energy: 0.6518073323034602
Energy: 0.6246745666301035
Energy: 0.6357927543088184
Energy: 0.6860612145681066
Energy: 0.6141588885314085
Energy: 0.6432223771879546
Energy: 0.651377862056546
Energy: 0.6424842746871758
Energy: 0.6463744767390169
Energy: 0.685357829091624
Energy: 0.6328932528699388
Energy: 0.6331590453770496
Energy: 0.6524256156863236
Energy: 0.6430288675419975
Energy: 0.6299527712594511
Energy: 0.6849129699705839
Energy: 0.6430838131310377
Energy: 0.6353283095656395
Energy: 0.642125693782255
Energy: 0.6421591372174514
Energy: 0.638209145514818
Energy: 0.6849430549971409
Energy: 0.654987047625893
Energy: 0.6335823850233891
Energy: 0.6571180248215338
Energy: 0.653778901893035
Energy: 0.6375485854425925
Energy: 0.7261231439010986
Energy: 0.6690810130526199
Energy: 0.644004340920342
Energy: 0.6348352697278798
Energy: 0.6523185641299215
Energy: 0.6078885786128669
Energy: 0.7235800268085837
Energy: 0.6521410180984859
Energy: 0.6500469268760505
Energy: 0.6342745002049123
Energy: 0.6521786141414184
Energy: 0.6083267187441875
Energy: 0.6846229764185331
Energy: 0.6556912185536287
Energy: 0.6555151719912432
Energy: 0.6582625233325212
Energy: 0.6536822568755425
Energy: 0.6465969401029316
Energy: 0.9197515129371827
Energy: 0.6653848692325847
Energy: 0.645338097917007
Energy: 0.6489227839614609
Energy: 0.6545111101676039
Energy: 0.647344275046567
Energy: 0.6841113037718771
Energy: 0.6255746630045737
Energy: 0.6150781904119601
Energy: 0.6644079533959157
Energy: 0.6259699522585421
Energy: 0.6458150268278731
Energy: 0.632008880059752
Energy: 0.6421780641823172
Energy: 0.6176952443628467
Energy: 0.6323352076149781
Energy: 0.6444086660059636
Energy: 0.6415094288960673
Energy: 0.6634887319289836
Energy: 0.6149154590876699
Energy: 0.6152151121904779
Energy: 0.6637136334892723
Energy: 0.6258887034807314
Energy: 0.6672976726890569
Energy: 0.663386264401863
Energy: 0.6396085844628748
Energy: 0.667525136884896
Energy: 0.6636371963516458
Energy: 0.640111071173496
Energy: 0.6691493032616341
Energy: 0.6691052034878351
Energy: 0.6444223495138016
Energy: 0.6467397104196058
Energy: 0.6556350998155378
Energy: 0.6416893098269816
Energy: 0.6184300781122887
Energy: 0.6284915218584146
Energy: 0.6243699117335996
Energy: 0.6493067636896285
Energy: 0.6421812619464128
Energy: 0.648487711061318
Energy: 0.6696273200797638
Energy: 0.6329302458680853
Energy: 0.6630365689462567
Energy: 0.6397417044565242
Energy: 0.6333546080531743
Energy: 0.6627643761258395
Energy: 0.6152045015176273
Energy: 0.7982071329990341
Energy: 0.6637135121349792
Energy: 0.6632217055083528
Energy: 0.6590468960991697
Energy: 0.6653319250500584
Energy: 0.6148417198878605
Energy: 0.6804080199061666
Energy: 0.6634417058188591
Energy: 0.6638863385360111
Energy: 0.6410499412364742
Energy: 0.6632673573251441
Energy: 0.6175565922868287
Energy: 0.677003508829335
Energy: 0.6451318574046515
Energy: 0.6469392324920626
Energy: 0.6403402238145688
Energy: 0.6629203979871083
Energy: 0.6454769829060762
Energy: 0.6793923474555698
Energy: 0.6463840719870435
Energy: 0.6446624203697736
Energy: 0.6532007763815908
Energy: 0.6499459850234436
Energy: 0.6199968841296205
Energy: 0.6537623233142686
Energy: 0.6508116444525672
Energy: 0.6469794385008989
Energy: 0.6533563160855858
Energy: 0.648749063109923
Energy: 0.6476579702803316
Energy: 0.6520202407453641
Energy: 0.6317553139322246
Energy: 0.6315890947328623
Energy: 0.652206893447817
Energy: 0.6371937471770349
Energy: 0.6530569728624609
Energy: 0.6816853286137539
Energy: 0.6137688854307579
Energy: 0.6142601847229535
Energy: 0.6347378450442364
Energy: 0.6142585788848633
Energy: 0.6412073041312811
Energy: 0.684574412353144
Energy: 0.6332396799008668
Energy: 0.6317530556478708
Energy: 0.6519185023752259
Energy: 0.6324956600196979
Energy: 0.639957111116971
Energy: 0.6836669157801956
Energy: 0.6424739720494443
Energy: 0.6392251762296044
Energy: 0.6403566385261854
Energy: 0.6443610687277848
Energy: 0.6359867162480296
Energy: 0.6858353626068684
Energy: 0.6444680534264926
Energy: 0.645341365305662
Energy: 0.6544122597985177
Energy: 0.6436549891393396
Energy: 0.643415540381772
Energy: 0.7236425841010267
Energy: 0.6523004592026114
Energy: 0.6403482369773186
Energy: 0.6342822372512935
Energy: 0.6524543115682514
Energy: 0.6082574789189492

minimum gb energy = 0.6078885786128669 eV
minimum distance =  2.37261671919757 Angstroms
sigma value = 57


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

Energy: 0.326307567234049
Energy: 0.36799517740862214
Energy: 0.36088796810517293
Energy: 0.3274945921461568
Energy: 0.36778736427744974
Energy: 0.32909852905250436
Energy: 0.398891476452676
Energy: 0.34568267888209936
Energy: 0.3478248154057018
Energy: 0.3630885617507492
Energy: 0.36582203088629506
Energy: 0.35094319828506954
Energy: 0.4026454783051227
Energy: 0.36942047150922314
Energy: 0.3494787699515899
Energy: 0.3652075168538462
Energy: 0.36714656148449665
Energy: 0.3487433817430647
Energy: 0.4027349164404091
Energy: 0.3694226664741465
Energy: 0.34954073643938727
Energy: 0.36697398544542725
Energy: 0.37284692945279174
Energy: 0.34802457352185107
Energy: 0.3984452493237465
Energy: 0.32991781737898235
Energy: 0.3447775924052341
Energy: 0.405408202685459
Energy: 0.32809798301545884
Energy: 0.35921799752240624
Energy: 0.36652614600228534
Energy: 0.3287935512089572
Energy: 0.3305815635040573
Energy: 0.34567875870620063
Energy: 0.3319219008448259
Energy: 0.34462081180373294
Energy: 0.36131614367070486
Energy: 0.34575695589561534
Energy: 0.3480386601834021
Energy: 0.36215149073364394
Energy: 0.3428335011699576
Energy: 0.3527036443273337
Energy: 0.36670452371441614
Energy: 0.3494816551816448
Energy: 0.352183570163779
Energy: 0.3669916577150381
Energy: 0.3455319287127275
Energy: 0.3477726899486883
Energy: 0.3980082472983808
Energy: 0.3489316176518797
Energy: 0.3542207783833624
Energy: 0.3667007217500242
Energy: 0.3646549066358483
Energy: 0.34820112853162904
Energy: 0.3322673959771803
Energy: 0.3694576535435417
Energy: 0.33036815598567265
Energy: 0.3274571028136534
Energy: 0.3645754504942643
Energy: 0.34413803076548416
Energy: 0.32717003356666136
Energy: 0.3468795430506081
Energy: 0.3496934325757984
Energy: 0.327632720539923
Energy: 0.3433672569771789
Energy: 0.33044557689180337
Energy: 0.3998352784666747
Energy: 0.3686171658116184
Energy: 0.3516018104883289
Energy: 0.3636178687104327
Energy: 0.36502911537930643
Energy: 0.3511624637612514
Energy: 0.4031142703127631
Energy: 0.40567129117223194
Energy: 0.36715126165781387
Energy: 0.3466889360725374
Energy: 0.40340381046769896
Energy: 0.36889124149170355
Energy: 0.3988588716873952
Energy: 0.3676636880134845
Energy: 0.35671142812027556
Energy: 0.365291822520124
Energy: 0.3645925342106577
Energy: 0.3532208355601097
Energy: 0.40254999658154567
Energy: 0.33348776597955543
Energy: 0.3288185824340836
Energy: 0.3666136623876529
Energy: 0.3291114814202503
Energy: 0.32890933609469325
Energy: 0.3639896456814665
Energy: 0.34827520480873664
Energy: 0.3517782232394711
Energy: 0.36496534634379624
Energy: 0.32878495484122705
Energy: 0.34873456540568604
Energy: 0.3662067912965698
Energy: 0.3403152860203318
Energy: 0.3556483787589509
Energy: 0.3665747850004638
Energy: 0.36582941160899496
Energy: 0.35032997820382283
Energy: 0.4025876923367449
Energy: 0.3488436328119376
Energy: 0.35810572036568794
Energy: 0.4033925311625531
Energy: 0.3461030183962184
Energy: 0.34757733319030776
Energy: 0.32717480865275134
Energy: 0.3463948345216465
Energy: 0.34732813087351555
Energy: 0.32772160799516203
Energy: 0.3474041044653534
Energy: 0.36158468651695574

minimum gb energy = 0.326307567234049 eV
minimum distance =  2.43120586458987 Angstroms
sigma value = 11


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

Energy: 1.0117973812005716
Energy: 0.5301153770757006
Energy: 0.6331703811422401
Energy: 0.5566937152233701
Energy: 0.5313345201455354
Energy: 0.6277762530167684
Energy: 0.52467990936077
Energy: 0.5352531371961732
Energy: 0.5358981504919771
Energy: 0.5342734767336514
Energy: 0.5280009908794475
Energy: 0.5313870062292657
Energy: 0.5270189667298406
Energy: 0.5323154351961565
Energy: 0.5339553535994739
Energy: 0.5276101229505422
Energy: 0.5321633629694544
Energy: 0.5247810677243896
Energy: 0.5268590498523953
Energy: 0.5388526303978192
Energy: 0.5397028003489147
Energy: 0.5275336141586029
Energy: 0.5254031841384305
Energy: 0.5303023047342752
Energy: 0.524753505114445
Energy: 0.6170139946649904
Energy: 0.5763778457842094
Energy: 0.5441379119476762
Energy: 0.5352108318729174
Energy: 0.5303925724176064
Energy: 0.5653218254509816
Energy: 0.5776703923802993
Energy: 0.5806764538620438
Energy: 0.5355557474790086
Energy: 0.528395983667881
Energy: 0.56791316553745
Energy: 0.5649162800571217
Energy: 0.5271279478515845
Energy: 0.5312089021777869
Energy: 0.5250199651034397
Energy: 0.533547478404675
Energy: 0.5254781540834341
Energy: 0.5392980276260718
Energy: 0.5382400451212793
Energy: 0.54069673847544
Energy: 0.5381677422301385
Energy: 0.5376376359989733
Energy: 0.5380832439776876
Energy: 0.5654777277731424
Energy: 0.5304892537500085
Energy: 0.522503463794166
Energy: 0.5408431233101246
Energy: 0.5250951531690747
Energy: 0.5318025266529344
Energy: 0.7327799481863465
Energy: 0.5662438001937401
Energy: 0.5668811634190574
Energy: 0.5308099603493243
Energy: 0.5832114210386485
Energy: 0.5793938039148022
Energy: 0.5979420777253085
Energy: 0.5651285488600495
Energy: 0.5666368326207083
Energy: 0.5334659465275736
Energy: 0.5754311027353335
Energy: 0.5765462878597694
Energy: 0.6507257186952584
Energy: 0.5151218147066967
Energy: 0.5229200021652166
Energy: 0.6073002956538908
Energy: 0.5123890774731781
Energy: 0.5327654048257748
Energy: 0.6272894944115349
Energy: 0.5176965222230252
Energy: 0.5427916282121211
Energy: 0.5411157640332848
Energy: 0.5138988724327385
Energy: 0.5411548303392676
Energy: 0.6262555666058987
Energy: 0.6166018145474376
Energy: 0.6148008576779209
Energy: 0.5336842019605186
Energy: 0.6198899553221658
Energy: 0.6144959272211066
Energy: 0.6293461132733068
Energy: 0.5375338358968831
Energy: 0.5563964477140142
Energy: 0.5868125032107523
Energy: 0.5427255364435286
Energy: 0.5344188484624481
Energy: 0.7775830611988854
Energy: 0.616813344797915
Energy: 0.6151403461558969
Energy: 0.5749668742020995
Energy: 0.5804054502619967
Energy: 0.6153226486763126
Energy: 0.86096867913701
Energy: 0.5758224900061732
Energy: 0.5393779161130117
Energy: 0.7472539046173938
Energy: 0.5880596379561192
Energy: 0.5250947117330387
Energy: 0.9841164863139048
Energy: 0.5732751682799261
Energy: 0.6158238236340015
Energy: 0.5402473528254157
Energy: 0.5744859834595686
Energy: 0.6158540456316793
Energy: 0.7801967971883923
Energy: 0.5343304693996518
Energy: 0.5825576696320475
Energy: 0.5251317745510381
Energy: 0.5342194844713082
Energy: 0.579652176635028
Energy: 0.7050555714382314
Energy: 0.6464780235454669
Energy: 0.5375994772512256
Energy: 0.6569599621093088
Energy: 0.6232395882114173
Energy: 0.5383144050670158
Energy: 0.777464721066082
Energy: 0.5786717474672338
Energy: 0.5765094908338996
Energy: 0.5682720923754114
Energy: 0.6163969075095763
Energy: 0.5676634203504137
Energy: 0.745066099175177
Energy: 0.5449498406631427
Energy: 0.5257641432912601
Energy: 0.7917875714244904
Energy: 0.5413784817153112
Energy: 0.6184404088802221
Energy: 0.5258919484585768
Energy: 0.5805508331246403
Energy: 0.5695867255332249
Energy: 0.5277798713074103
Energy: 0.5790508100097693
Energy: 0.5675197929695069
Energy: 0.5336975285220272
Energy: 0.5296414103212724
Energy: 0.5249782934737468
Energy: 0.5334690401483314
Energy: 0.5278339264173116
Energy: 0.5312229244509052
Energy: 0.6238813667915485
Energy: 0.5268492253347593
Energy: 0.5434020029481379
Energy: 0.5990213763818459
Energy: 0.5264133709981563
Energy: 0.5313923013784699
Energy: 0.5937362265742925
Energy: 0.525795660697203
Energy: 0.528895805032323
Energy: 0.5262891303235533
Energy: 0.5414888094079934
Energy: 0.5096074002240489

minimum gb energy = 0.5096074002240489 eV
minimum distance =  2.38417134605165 Angstroms
sigma value = 41


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

Energy: 1.1233760441856524
Energy: 0.6268505961579061
Energy: 0.5993997850884241
Energy: 0.6467562744800301
Energy: 0.6272179201579611
Energy: 0.6469530236982605
Energy: 0.5649924619341384
Energy: 0.5724119572737024
Energy: 0.5621000969524375
Energy: 0.5658004457461564
Energy: 0.5660078776217768
Energy: 0.561278564835401
Energy: 0.5673776714836799
Energy: 0.5627428288301136
Energy: 0.5623220756875251
Energy: 0.5663784565093518
Energy: 0.5672627097737437
Energy: 0.5615281850712149
Energy: 0.5670898188971762
Energy: 0.5719700866320765
Energy: 0.5625385306848839
Energy: 0.568329071798339
Energy: 0.5658737956134882
Energy: 0.5663902898190565
Energy: 0.5648494764176649
Energy: 0.5827958627717426
Energy: 0.5740840417427965
Energy: 0.5797355372213688
Energy: 0.5626776107328815
Energy: 0.5628072909178743
Energy: 0.6256086331606763
Energy: 0.572894502272602
Energy: 0.5731286855674881
Energy: 0.5802552191326407
Energy: 0.5692003020277053
Energy: 0.5686271762275573
Energy: 0.6286753567091344
Energy: 0.5662783217337757
Energy: 0.5682793974069182
Energy: 0.5665163578724598
Energy: 0.5799731085439361
Energy: 0.563854052336802
Energy: 0.5878887012340575
Energy: 0.5983509597460306
Energy: 0.5983603273334591
Energy: 0.5416537318129306
Energy: 0.5981067909781621
Energy: 0.5583142899161677
Energy: 0.6282778812598355
Energy: 0.5629312935237921
Energy: 0.5620408796890888
Energy: 0.5806845303423922
Energy: 0.5657609635652229
Energy: 0.5622029994120854
Energy: 0.8306209126405638
Energy: 0.5675836478495965
Energy: 0.5652683596173617
Energy: 0.7306390421656657
Energy: 0.583745137453925
Energy: 0.5718551309715605
Energy: 0.6287349865630029
Energy: 0.5674362585038435
Energy: 0.5615117776577891
Energy: 0.5670585185324983
Energy: 0.5795178168550605
Energy: 0.5620055894783582
Energy: 0.6799859769508165
Energy: 0.5416541758465808
Energy: 0.541420815100299
Energy: 0.5831574300605084
Energy: 0.5412570589183717
Energy: 0.5722636669417128
Energy: 0.5671296536714352
Energy: 0.5410817068728314
Energy: 0.5412562845640352
Energy: 0.5833881532115404
Energy: 0.541133702545155
Energy: 0.541991456620639
Energy: 0.5683640761605804
Energy: 0.5796940871888948
Energy: 0.5622094642811264
Energy: 0.5669479964402672
Energy: 0.5802439755923765
Energy: 0.5621088794278178
Energy: 0.5996022976761274
Energy: 0.5698474318578977
Energy: 0.5949000312721441
Energy: 0.5991321953956068
Energy: 0.5718451316896682
Energy: 0.5949677514017849
Energy: 0.5652891744514076
Energy: 0.5809042428694111
Energy: 0.5627223869268244
Energy: 0.5798879394185628
Energy: 0.5659446936426211
Energy: 0.5633437163357626
Energy: 1.072765028626558
Energy: 0.5669091799005495
Energy: 0.5765184325292051
Energy: 0.5908707873607629
Energy: 0.5728968268384012
Energy: 0.5415229940977269
Energy: 0.5879750816346144
Energy: 0.5673151370148669
Energy: 0.5675069796825064
Energy: 0.5395289175466762
Energy: 0.5786632142196462
Energy: 0.5418704014251307
Energy: 0.5672166273506182
Energy: 0.5679342674359614
Energy: 0.563386354964737
Energy: 0.5677345592708292
Energy: 0.5664176999769999
Energy: 0.5634423462527545
Energy: 0.5656957799555694
Energy: 0.566308366328338
Energy: 0.5624416825917987
Energy: 0.5662724199095563
Energy: 0.5677963157550467
Energy: 0.5638948616193525
Energy: 0.5650331021101803
Energy: 0.563309939255278
Energy: 0.561073030630914
Energy: 0.565563437321691
Energy: 0.5664050793140024
Energy: 0.5612084435738459
Energy: 0.7301889758364207
Energy: 0.5947319040597251
Energy: 0.6187017076837712
Energy: 0.9085645297142213
Energy: 0.5952022716394375
Energy: 0.5764479999482693
Energy: 0.628463271975235
Energy: 0.562867272384714
Energy: 0.5626984127881354
Energy: 0.5837436803067468
Energy: 0.5659624121302249
Energy: 0.5619518247079048
Energy: 0.587890148066589
Energy: 0.5999942675167659
Energy: 0.5677632781019621
Energy: 0.5418186491117657
Energy: 0.6004856931822393
Energy: 0.5448924114825984
Energy: 0.6288687415008537
Energy: 0.5661695669780937
Energy: 0.5642503561139044
Energy: 0.5807089177804745
Energy: 0.5681165900010522
Energy: 0.562691626502878
Energy: 0.6286876510421096
Energy: 0.5672360052634277
Energy: 0.5668282064706769
Energy: 0.5673098197565557
Energy: 0.5831169675043222
Energy: 0.5612671692602096
Energy: 0.8303923001348296
Energy: 0.5670469767784707
Energy: 0.5729459554806524
Energy: 0.5682237719172982
Energy: 0.5841159880716019
Energy: 0.5709814439640581
Energy: 0.6255910372782533
Energy: 0.5573205881803031
Energy: 0.5738417467170471
Energy: 0.5791862895544658
Energy: 0.5659928411534333
Energy: 0.5714623911112044
Energy: 0.5677431295755694
Energy: 0.5416187726874439
Energy: 0.5415904975260861
Energy: 0.5826140480877493
Energy: 0.5419411513233566
Energy: 0.5423075769489136
Energy: 0.5675408395117555
Energy: 0.5688571906025633
Energy: 0.5663837027887301
Energy: 0.5646221481841139
Energy: 0.5782634688434107
Energy: 0.5668511151612263
Energy: 0.5681112656830983
Energy: 0.5623406175192505
Energy: 0.5609389634447178
Energy: 0.5682469278892909
Energy: 0.5676379731022172
Energy: 0.5625130498591364
Energy: 0.565885575968584
Energy: 0.5669884746706444
Energy: 0.5612668280017008
Energy: 0.5699562670371539
Energy: 0.5665404774033482
Energy: 0.5666561407256275
Energy: 1.0721195856577328
Energy: 0.5661675591239511
Energy: 0.5579859616598054
Energy: 0.5509277615357022
Energy: 0.5810186196806937
Energy: 0.5582735512451082

minimum gb energy = 0.5395289175466762 eV
minimum distance =  2.38511624523679 Angstroms
sigma value = 33


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

Energy: 0.7579177690230471
Energy: 0.6564923258484303
Energy: 0.607614626836943
Energy: 0.6038319404906556
Energy: 0.6583362764138282
Energy: 0.6078502369354819
Energy: 0.6164262935718472
Energy: 0.5986761502633204
Energy: 0.5975921297483261
Energy: 0.6131878673388648
Energy: 0.6146289390091674
Energy: 0.5990196047726885
Energy: 0.6170720197683678
Energy: 0.5993448069769828
Energy: 0.6000207431377514
Energy: 0.5997840589649956
Energy: 0.5995280257794378
Energy: 0.6004482763507382
Energy: 0.6263569661260893
Energy: 0.6006731955117595
Energy: 0.6045719665754392
Energy: 0.6143652669038262
Energy: 0.6001504973911053
Energy: 0.6033269312479258
Energy: 0.6156738837691828
Energy: 0.6019541658202437
Energy: 0.5835706917546094
Energy: 0.6162797010239496
Energy: 0.6179589999492187
Energy: 0.6132156322647481
Energy: 0.6498163886877962
Energy: 0.6042627630805861
Energy: 0.6038652398301875
Energy: 0.6575264839843336
Energy: 0.6027588972602325
Energy: 0.6053468964643286
Energy: 0.6501890664268631
Energy: 0.6007739060062329
Energy: 0.617100842173479
Energy: 0.6183858001761541
Energy: 0.6349270222955706
Energy: 0.6016469440233092
Energy: 0.6469275076123571
Energy: 0.6253416063417074
Energy: 0.6029504924607866
Energy: 0.5835316899224433
Energy: 0.6524218568282263
Energy: 0.6038723021559058
Energy: 0.6492917586970668
Energy: 0.5829970950711436
Energy: 0.5829078857743283
Energy: 0.5837421633835099
Energy: 0.5843162654085483
Energy: 0.5866942303727724
Energy: 0.7019035737640732
Energy: 0.5983623631845243
Energy: 0.5983569293038864
Energy: 0.5990894081091842
Energy: 0.6001878670071369
Energy: 0.6044238573787084
Energy: 0.6493078614150325
Energy: 0.6003444463613833
Energy: 0.6015447359774823
Energy: 0.614281253945932
Energy: 0.5851076420262126
Energy: 0.6017592534169085
Energy: 0.6522181212842971
Energy: 0.581630089295852
Energy: 0.5817947474124675
Energy: 0.6351683521374525
Energy: 0.5903382614585454
Energy: 0.5819262605673798
Energy: 0.6574905318492374
Energy: 0.581962797255805
Energy: 0.5821679455801506
Energy: 0.5857407664496745
Energy: 0.582393908688435
Energy: 0.5816470561805543
Energy: 0.6201955359964875
Energy: 0.6015251924255489
Energy: 0.6008802762394
Energy: 0.6199229368376923
Energy: 0.6173091675850796
Energy: 0.6012742711352901
Energy: 0.5813950657123873
Energy: 0.5991808783240095
Energy: 0.5986271688036354
Energy: 0.5993802605443729
Energy: 0.5990413946655472
Energy: 0.5994560577900754
Energy: 0.6163576591690035
Energy: 0.6126773514016254
Energy: 0.5988634033063145
Energy: 0.618630395687775
Energy: 0.6167556754433211
Energy: 0.6001400490601919
Energy: 0.9815255089362449
Energy: 0.5850338467477518
Energy: 0.6039381040881655
Energy: 0.601750657013227
Energy: 0.6489751904319475
Energy: 0.6086567801042788
Energy: 0.6516322820385904
Energy: 0.5850178832240895
Energy: 0.5831521126043804
Energy: 0.6424904702657729
Energy: 0.5840650443604092
Energy: 0.5833800202512075
Energy: 0.6243401037375842
Energy: 0.5826792799020019
Energy: 0.5832660228068139
Energy: 0.5997875429647811
Energy: 0.5848194752006521
Energy: 0.6044960073368848
Energy: 0.5869999394478377
Energy: 0.5831279754766573
Energy: 0.5832880293326932
Energy: 0.584815970519258
Energy: 0.5851978923946108
Energy: 0.6019890123919173
Energy: 0.5839151151659661
Energy: 0.5852755540011947
Energy: 0.5847588081763863
Energy: 0.5847765517511152
Energy: 0.5859781455851316
Energy: 0.585154183254716
Energy: 0.6556455963934051
Energy: 0.606127356475977
Energy: 0.598536052045884
Energy: 0.6554854862578321
Energy: 0.6055409905655704
Energy: 0.6235626218245013
Energy: 0.6158557422539324
Energy: 0.6178371091051851
Energy: 0.5997843891164566
Energy: 0.6038046778904209
Energy: 0.632675600835584
Energy: 0.5847687378846209
Energy: 0.649766176934403
Energy: 0.5978831167870288
Energy: 0.5829407468300313
Energy: 0.5822694433508137
Energy: 0.648606340421421
Energy: 0.5829475424479775
Energy: 0.6474435284175302
Energy: 0.6171279227872244
Energy: 0.5980641576203306
Energy: 0.6134517409423677
Energy: 0.6118124092261195
Energy: 0.5977495891090656
Energy: 0.6275872401943928
Energy: 0.601454266164409
Energy: 0.6025019806727343
Energy: 0.6003742656839463
Energy: 0.6013383848131327
Energy: 0.5979472327996012
Energy: 0.6170835087355906
Energy: 0.6041745403173537
Energy: 0.6025887655320801
Energy: 0.6004267074967302
Energy: 0.61953073115163
Energy: 0.6029842274161087
Energy: 0.6147813433630032
Energy: 0.5859013941796644
Energy: 0.6009138545784066
Energy: 0.6153040163571565
Energy: 0.6153881284880911
Energy: 0.5972598066556422
Energy: 0.7244010878042507
Energy: 0.6062004088096087
Energy: 0.6075079127620564
Energy: 0.7245685743399766
Energy: 0.605381164017401
Energy: 0.6068912207485335
Energy: 0.6488962886720836
Energy: 0.585802799145058
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Energy: 0.6368677762151325
Energy: 0.6043947656524123
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Energy: 0.6473005150059693
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Energy: 0.5836802172401059
Energy: 0.6533710981291013
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Energy: 0.6004061451199479
Energy: 0.6025439325468971
Energy: 0.701658099137928
Energy: 0.601421145069975
Energy: 0.6029042895732629
Energy: 0.5997112438210069
Energy: 0.5837079716249848
Energy: 0.6039629668607293
Energy: 0.6505063227744935
Energy: 0.5900678821365288
Energy: 0.581196613700264
Energy: 0.6436126173016123
Energy: 0.6092908273431071
Energy: 0.5873647133067782
Energy: 0.6593820494751056
Energy: 0.5825413645365748
Energy: 0.581814296151346
Energy: 0.5824835644338052
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Energy: 0.5829529627127699
Energy: 0.6175558682411182
Energy: 0.6141386364330551
Energy: 0.5995078934997582
Energy: 0.6175541334678024
Energy: 0.6149655418858057
Energy: 0.5997351630775584
Energy: 0.6248761553866617
Energy: 0.5989157765930855
Energy: 0.5994565028866291
Energy: 0.6266555015382342
Energy: 0.5984187043572512
Energy: 0.6001374669094535
Energy: 0.6176389923921668
Energy: 0.6136797133626459
Energy: 0.6001320253464971
Energy: 0.6023586574140797
Energy: 0.618298065947403
Energy: 0.6001621276147406
Energy: 0.9800160814096927
Energy: 0.6100391719805099
Energy: 0.5837847475174439
Energy: 0.6034250411358698
Energy: 0.5861307431552157
Energy: 0.6037737885466135
Energy: 0.701770332079387
Energy: 0.5847427441573796
Energy: 0.5834335168677564
Energy: 0.6240552087139405
Energy: 0.5856879915006673
Energy: 0.5835808260725941
Energy: 0.6210314284896663
Energy: 0.5828270973328106
Energy: 0.5814965958357536
Energy: 0.5997689578133031
Energy: 0.5856036616212658
Energy: 0.6022921565493119
Energy: 0.6215833493457603
Energy: 0.5824297504067346
Energy: 0.5836958230705673
Energy: 0.622826920137802
Energy: 0.5836342117321454
Energy: 0.5838087091944225
Energy: 0.582781696420619
Energy: 0.5834838003323463
Energy: 0.585886410597988
Energy: 0.5835536322508317
Energy: 0.5857126893460884
Energy: 0.5833062596939295
Energy: 0.6537764465334787
Energy: 0.6064812514740797
Energy: 0.6233714618621211
Energy: 0.6534710530302011
Energy: 0.6063611716142133
Energy: 0.6236230999030089
Energy: 0.6165505056699079
Energy: 0.6167141744131897
Energy: 0.6017876928592133
Energy: 0.6230400962352854
Energy: 0.6121415864739825
Energy: 0.601906572721517
Energy: 0.7052628465282659
Energy: 0.5846106274965679
Energy: 0.5827047923878851
Energy: 0.5822438390299333
Energy: 0.6057128006584283
Energy: 0.5817562166824174

minimum gb energy = 0.581196613700264 eV
minimum distance =  2.39105539157098 Angstroms
sigma value = 67


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

Energy: 0.8898993122546514
Energy: 0.6703810416655974
Energy: 0.6496282452095947
Energy: 0.6623686413528518
Energy: 0.6698383034974499
Energy: 0.6483881543580171
Energy: 0.6653824419393025
Energy: 0.6327796269240187
Energy: 0.6322865208538019
Energy: 0.6325299822214229
Energy: 0.6339034327354757
Energy: 0.6319391224424348
Energy: 0.6601094250353797
Energy: 0.6136235163759263
Energy: 0.6331225866852895
Energy: 0.6331653030180266
Energy: 0.6108308336012312
Energy: 0.6330058383633669
Energy: 0.6602217826052249
Energy: 0.632511051464776
Energy: 0.6328073450348817
Energy: 0.6311380201819792
Energy: 0.633121985058269
Energy: 0.6331200650031443
Energy: 0.6629072285776396
Energy: 0.6335704716102851
Energy: 0.634569324716859
Energy: 0.6634324457813949
Energy: 0.6335566222244626
Energy: 0.6349002050981079
Energy: 0.6645737759440077
Energy: 0.6384866679425698
Energy: 0.6368647219396328
Energy: 0.6649758616593479
Energy: 0.6380050814870994
Energy: 0.6368197189055705
Energy: 0.703079480102393
Energy: 0.6333984207688041
Energy: 0.6324523319828048
Energy: 0.6093847344964908
Energy: 0.6341077614968693
Energy: 0.6321536727237705

minimum gb energy = 0.6093847344964908 eV
minimum distance =  2.42540359004516 Angstroms
sigma value = 3


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

Energy: 1.0457800932065358
Energy: 0.7981372094722625
Energy: 0.7203304930031207
Energy: 0.7047628676201608
Energy: 1.1486289482046474
Energy: 0.747882823109931
Energy: 0.7623627834043208
Energy: 0.740105141335812
Energy: 0.7162169527662398
Energy: 0.7287142012912172
Energy: 0.7412875638054243
Energy: 0.7162092345548172
Energy: 0.7733652269408364
Energy: 0.750516618175257
Energy: 0.7505848496956513
Energy: 0.7212001660604145
Energy: 0.7500311698990387
Energy: 0.7893612979097478
Energy: 0.7685306233457897
Energy: 0.7190814338095203
Energy: 0.7223637906622179
Energy: 0.7709067608219293
Energy: 0.7424000078144936
Energy: 0.7174041675892011
Energy: 0.7744606525521348
Energy: 0.709307456651969
Energy: 0.7719429756274753
Energy: 0.7765870058407597
Energy: 0.7684580871284907
Energy: 0.7114300727677328
Energy: 0.7647649657630784
Energy: 0.7589673555355133
Energy: 0.7581235525779589
Energy: 0.7670556071997275
Energy: 0.7663755720144909
Energy: 0.7572640882202101
Energy: 0.766693083335663
Energy: 0.7277813509799328
Energy: 0.7781003195586955
Energy: 0.7699212349288862
Energy: 0.7215102853788155
Energy: 0.7737852193611543
Energy: 0.9501561426266192
Energy: 0.8053190291714718
Energy: 0.7467193251188041
Energy: 0.7411957944839859
Energy: 0.7934051261705415
Energy: 0.8005783663897964
Energy: 0.7688188932894874
Energy: 0.7708925176856233
Energy: 0.777443607388723
Energy: 0.7865172383302912
Energy: 0.7674779117215677
Energy: 0.7857396609414776
Energy: 0.7794427966923696
Energy: 0.7329954503380578
Energy: 0.732123166364739
Energy: 0.7910511387791951
Energy: 0.7264548232973034
Energy: 0.7547236052056525
Energy: 0.807868136195808
Energy: 0.7336907529386079
Energy: 0.7461923562720136
Energy: 0.8125387014928876
Energy: 0.7238359539376287
Energy: 0.7937785694204459
Energy: 0.806324693838594
Energy: 0.7616803839558304
Energy: 0.761540740306632
Energy: 0.7693902420458524
Energy: 0.7625487260275902
Energy: 0.7613805766913342
Energy: 0.751524387789409
Energy: 0.7620113753884227
Energy: 0.7622459943322242
Energy: 0.721633124355547
Energy: 0.7620939841885911
Energy: 0.7621453110226669
Energy: 0.7959216230672423
Energy: 0.7661597192453931
Energy: 0.7636506649288306
Energy: 0.7804582924632425
Energy: 0.7627304495748474
Energy: 0.764333409421668
Energy: 0.7850650558862684
Energy: 0.7653085005676151
Energy: 0.8255634292542101
Energy: 0.734331892218872
Energy: 0.7648573278097744
Energy: 0.7685458575666431
Energy: 0.8181307317058315
Energy: 0.7919098452701615
Energy: 0.7929348969933453
Energy: 0.7958661287930775
Energy: 0.7921565107387066
Energy: 0.7903825701480213
Energy: 0.8803091743946916
Energy: 0.746177057266985
Energy: 0.7446608851559823
Energy: 0.8800674333315608
Energy: 0.7429165932732685
Energy: 0.7494643258306708
Energy: 0.7652549307504591
Energy: 0.7691122042631239
Energy: 0.7681320027682109
Energy: 0.7871634906308125
Energy: 0.7348096003968818
Energy: 0.7674461459660906
Energy: 0.8505042404897629
Energy: 0.7704771197795491
Energy: 0.7637882656930861
Energy: 0.7646130091687345
Energy: 0.8059143761214519
Energy: 0.7301541264494945
Energy: 0.8151795930560162
Energy: 0.7593924939376264
Energy: 0.7657636295716553
Energy: 0.7317009605783442
Energy: 0.76388728572195
Energy: 0.7294419167105041
Energy: 0.7628738973416799
Energy: 0.7716922099138193
Energy: 0.7735174870772532
Energy: 0.7640387305975364
Energy: 0.7724020436073037
Energy: 0.7729514411062877
Energy: 0.7630773771899921
Energy: 0.7683919550343831
Energy: 0.7636413466777826
Energy: 0.7693747058980779
Energy: 0.7660783248427833
Energy: 0.762877668729149
Energy: 0.767736781621432
Energy: 0.7678515613944286
Energy: 0.7657723136203222
Energy: 0.7686275724201506
Energy: 0.7624013255849528
Energy: 0.7668299313503547
Energy: 0.7658012103055577
Energy: 0.7407923530713627
Energy: 0.7407431085698359
Energy: 0.7658904969918708
Energy: 0.7405967887460969
Energy: 0.7830786396814697
Energy: 0.7639087388922003
Energy: 0.7873341687418665
Energy: 0.7939855245897065
Energy: 0.8084862343837074
Energy: 0.7668975497691046
Energy: 0.7930715261066645
Energy: 0.8499461730884591
Energy: 0.7854417224491916
Energy: 0.7461707026092694
Energy: 0.7214301432111125
Energy: 0.8112592096556235
Energy: 0.72657266069226
Energy: 0.6959340384875617
Energy: 0.7853497025875413
Energy: 0.7393513821070202
Energy: 0.7266027587878031
Energy: 0.8132904976600431
Energy: 0.7261668394083277
Energy: 0.7631508115570762
Energy: 0.7814819518461815
Energy: 0.7927531777867972
Energy: 0.8110560095750637
Energy: 0.767326877222861
Energy: 0.792071213306282
Energy: 0.7743230269734023
Energy: 0.7536503436042808
Energy: 0.7539260988355256
Energy: 0.7724508520718311
Energy: 0.7539147984548435
Energy: 0.7723075390795238
Energy: 0.7670195860020148
Energy: 0.7726598063318962
Energy: 0.7761244128480282
Energy: 0.7683235773985237
Energy: 0.7720951134245438
Energy: 0.7778349253599252
Energy: 0.7672229757449459
Energy: 0.7792320325382753
Energy: 0.7770851854007179
Energy: 0.774796289344694
Energy: 0.7983689836981112
Energy: 0.7759004075608821
Energy: 0.7749555604024992
Energy: 0.766830023288323
Energy: 0.7659531392742561
Energy: 0.7741094770201741
Energy: 0.7729507212046507
Energy: 0.7744538959740271
Energy: 0.8566139014072335
Energy: 0.7819923549023596
Energy: 0.7877568118831276
Energy: 0.739757576778109
Energy: 0.809917420964518
Energy: 0.7447514315663827
Energy: 0.7993527833524922
Energy: 0.7674341225864065
Energy: 0.7619676624107748
Energy: 0.758847636141359
Energy: 0.7757347103512406
Energy: 0.7612580464586999
Energy: 0.7658876272013061
Energy: 0.7487155829648989
Energy: 0.7449047317366155
Energy: 0.7665299703190969
Energy: 0.7531596612136596
Energy: 0.7579943974153859
Energy: 0.8069775764631769
Energy: 0.7332090028444438
Energy: 0.7322526334987397
Energy: 0.8069326813426279
Energy: 0.7262794560539493
Energy: 0.7418813486443752
Energy: 0.8064337707451387
Energy: 0.7712232857439382
Energy: 0.7767391996451243
Energy: 0.7878294337366819
Energy: 0.766207847075437
Energy: 0.7802799351102008
Energy: 0.7536061677747542
Energy: 0.7640998526649655
Energy: 0.7665541384839578
Energy: 0.7206932287488759
Energy: 0.7660981997620695
Energy: 0.8133462572261783
Energy: 0.7918246149608562
Energy: 0.7687395635547208
Energy: 0.7617295631217892
Energy: 0.7827003447014208
Energy: 0.7662502637286749
Energy: 0.7743270558962961
Energy: 0.7844560726122413
Energy: 0.765347064438784
Energy: 0.7659435709586893
Energy: 0.7332383376577719
Energy: 0.7647249464713499
Energy: 0.7718023820951878
Energy: 0.8754657673063648
Energy: 0.7612803487655371
Energy: 0.7628114417076203
Energy: 0.7887706791825475
Energy: 0.8044571855750815
Energy: 0.7935012937361814
Energy: 0.8643071232259183
Energy: 0.7387725601154623
Energy: 0.7418460782246915
Energy: 0.8297419816665623
Energy: 0.7486751570362971
Energy: 0.7933586365080657
Energy: 0.8587330647900783
Energy: 0.7421402975246293
Energy: 0.7417745717328683
Energy: 0.8831962045930863
Energy: 0.7454697112481627
Energy: 0.7621539728687404
Energy: 0.7660484239434563
Energy: 0.7920484427095843
Energy: 0.7909182981071885
Energy: 0.7811450194212258
Energy: 0.7921655813503489
Energy: 0.7957765210898541
Energy: 1.0452531104462581
Energy: 0.7022954270636601
Energy: 0.7683363422898501
Energy: 0.773048110349214
Energy: 0.7013200742510227
Energy: 0.7684689926238878
Energy: 0.7670524256254975
Energy: 0.7062513039116048
Energy: 0.7633659597745822
Energy: 0.7746842134140597
Energy: 0.7057012693822835
Energy: 0.7660680241617831
Energy: 0.7622919725100411
Energy: 0.764985812904091
Energy: 0.7651141680479044
Energy: 0.7654236394841022
Energy: 0.7644953006866638
Energy: 0.7644753161196679
Energy: 0.7761315467377777
Energy: 0.7246162365195655
Energy: 0.7741643716389132
Energy: 0.7650186956777079
Energy: 0.7609315208209888
Energy: 0.7153633038807602
Energy: 0.7608996061364006
Energy: 0.7679731681524167
Energy: 0.7107075354012867
Energy: 0.7631672888300787
Energy: 0.7357469461837945
Energy: 0.7183758885233407
Energy: 0.7722024142483908
Energy: 0.7701391208870597
Energy: 0.7405078828853242
Energy: 0.7185558478850648
Energy: 0.7404282598483113
Energy: 0.7370714595916552
Energy: 0.7525828400531918
Energy: 0.707890178595786
Energy: 0.7278467769453323
Energy: 0.7172522337540469
Energy: 0.6959254821832689
Energy: 0.7237812695579237

minimum gb energy = 0.6959254821832689 eV
minimum distance =  2.3591168318078 Angstroms
sigma value = 81


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

Energy: 1.4710607864841394
Energy: 0.7410765847850181
Energy: 0.7123877652289997
Energy: 0.7165517554924702
Energy: 0.7406684304295957
Energy: 0.7606245893974651
Energy: 0.7938913055572635
Energy: 0.695989851326636
Energy: 0.7115118523543499
Energy: 0.7218266022423538
Energy: 0.6834965444230596
Energy: 0.6985765785050245
Energy: 0.7974980714442235
Energy: 0.7255896693514422
Energy: 0.7406074929167291
Energy: 0.7438298746056091
Energy: 0.757968164168752
Energy: 0.73948541139634
Energy: 0.7965189756549461
Energy: 0.7266168459035971
Energy: 0.7253437810597088
Energy: 0.7984150945003327
Energy: 0.7557030016034418
Energy: 0.7345621765601762
Energy: 0.7965124291533919
Energy: 0.6965367120787922
Energy: 0.7984236104830086
Energy: 0.7243536004306753
Energy: 0.7312131366814867
Energy: 0.7206239677692386
Energy: 0.794700149280986
Energy: 0.8004291567194316
Energy: 0.7925314493247464
Energy: 0.7259639598546419
Energy: 0.7250365145625663
Energy: 0.7990906256984756
Energy: 0.8242116889161951
Energy: 0.7486340071823465
Energy: 0.7439743438767462
Energy: 0.7986867177820872
Energy: 0.6966216496094535
Energy: 0.7466348972605369
Energy: 0.8634533787822806
Energy: 0.79037618269754
Energy: 0.7899442451190392
Energy: 0.7276991180509979
Energy: 0.8545057648903706
Energy: 0.7405153352272005
Energy: 0.7815432185886556
Energy: 0.7453080209563622
Energy: 0.7493466674535989
Energy: 0.8023479619316309
Energy: 0.7439414010988376
Energy: 0.7449057996883197
Energy: 0.8116999626075039
Energy: 0.7615424199862817
Energy: 0.7587261799044125
Energy: 0.7603971518952669
Energy: 0.7481017184306906
Energy: 0.7573888232465944
Energy: 0.8039036968541214
Energy: 0.7486641076705023
Energy: 0.7452185496391447
Energy: 0.7562009081758854
Energy: 0.7292064335996196
Energy: 0.7547485673853889
Energy: 0.767526642866742
Energy: 0.7415858627793306
Energy: 0.7419334379962963
Energy: 0.750892844570019
Energy: 0.7409836940388795
Energy: 0.7419270884264367
Energy: 0.7663861514215167
Energy: 0.743991898709596
Energy: 0.7406034774667704
Energy: 0.7447241330001784
Energy: 0.7279285638476518
Energy: 0.7377253414409386
Energy: 0.8204256655031253
Energy: 0.7538720962359257
Energy: 0.753436503166854
Energy: 0.7829409398653993
Energy: 0.753850068268954
Energy: 0.7297665860010444
Energy: 0.8956967897193532
Energy: 0.8144975809127798
Energy: 0.8042376134743556
Energy: 0.8041485440497801
Energy: 0.804935783428722
Energy: 0.7979384481529839
Energy: 0.804906947614785
Energy: 0.7991286174774498
Energy: 0.8020668629296583
Energy: 0.8052899880236705
Energy: 0.7909499439433209
Energy: 0.8045233836719577
Energy: 0.8966236119942892
Energy: 0.7276261607050033
Energy: 0.7273387291843922
Energy: 0.897342893634889
Energy: 0.7277676415142798
Energy: 0.7405868009878479
Energy: 0.7893155240793648
Energy: 0.7419169358267893
Energy: 0.7978655455031313
Energy: 0.8271024228445474
Energy: 0.7796147570825817
Energy: 0.8461419750772883
Energy: 0.8190543119570686
Energy: 0.7744227021679071
Energy: 0.7087302068406186
Energy: 0.7088099610231613
Energy: 0.8318140008916239
Energy: 0.708255354706865
Energy: 0.8261341857809776
Energy: 0.782587572990811
Energy: 0.7076605821671447
Energy: 0.7084036068375837
Energy: 0.7972745637802321
Energy: 0.701767843503695
Energy: 0.7888629572532088
Energy: 0.7471045878902459
Energy: 0.7823365878669611
Energy: 0.827053424800224
Energy: 0.747330033907577
Energy: 0.835492151277666
Energy: 0.8001491628726244
Energy: 0.7266638497803584
Energy: 0.7265958158009496
Energy: 0.7985126411562739
Energy: 0.7274856364054983
Energy: 0.7384352219421649
Energy: 0.7984382633800328
Energy: 0.8004994979482594
Energy: 0.8014332858551079
Energy: 0.7991486306200734
Energy: 0.8016427392771753
Energy: 0.7968865629310168
Energy: 0.7997189252665445
Energy: 0.7969540726388342
Energy: 0.7969395329402683
Energy: 0.8031589607498458
Energy: 0.796774090801634
Energy: 0.7966859645906423
Energy: 0.8158608332199855
Energy: 0.7705473532264487
Energy: 0.7729882117992503
Energy: 0.7832949743351985
Energy: 0.7638819940633207
Energy: 0.7808084761787044
Energy: 0.8605708452176524
Energy: 0.7876883038345647
Energy: 0.7826717195007772
Energy: 0.7274620812135841
Energy: 0.7884831687413476
Energy: 0.7831239647661852
Energy: 0.8619929691935379
Energy: 0.7898368012899794
Energy: 0.782259387479109
Energy: 0.7368303113353738
Energy: 0.7870701633650874
Energy: 0.7442749913785642
Energy: 0.8034416379333432
Energy: 0.7471671787901801
Energy: 0.7441501150030154
Energy: 0.7576221595203678
Energy: 0.7429624405399906
Energy: 0.7551633157744371
Energy: 0.8011137327169836
Energy: 0.7609728776208857
Energy: 0.7543665332599484
Energy: 0.8203914324110376
Energy: 0.7493224125816428
Energy: 0.7573616788645462
Energy: 0.7800761745715462
Energy: 0.7447680672323289
Energy: 0.744223798929419
Energy: 0.7539638519961256
Energy: 0.7439070924200115
Energy: 0.7437497101221443
Energy: 0.7669971140514225
Energy: 0.7644893303645619
Energy: 0.7415155191914434
Energy: 0.7260583735001926
Energy: 0.7710053519048986
Energy: 0.7371920526393011
Energy: 0.8204303609074571
Energy: 0.7291224146980434
Energy: 0.7376557875521241
Energy: 0.744640141700017
Energy: 0.690455450997874
Energy: 0.7453425248430642
Energy: 0.889985578185576
Energy: 0.793888815289554
Energy: 0.797904151638577
Energy: 0.8089792348553362
Energy: 0.719853697701842
Energy: 0.7969707602893753
Energy: 0.8018847045853352
Energy: 0.7210027260652311
Energy: 0.7985960361025793
Energy: 0.7367380065373494
Energy: 0.7361927050158961
Energy: 0.7336978181928531
Energy: 0.8942324905948532
Energy: 0.7001113215334835
Energy: 0.7198995677083643
Energy: 0.8022962045736286
Energy: 0.7364350166912949
Energy: 0.7367636300221229
Energy: 0.8840309837641761
Energy: 0.7286732622363534
Energy: 0.7286061729306941
Energy: 0.7963254419514336
Energy: 0.7275708971124932
Energy: 0.8892180758284911
Energy: 0.794728082602819
Energy: 0.6985819019881027
Energy: 0.6971742688076912
Energy: 0.7218786514818398
Energy: 0.6828080261380159
Energy: 0.7534590684967023
Energy: 0.8429462643005801
Energy: 0.7326373076622431
Energy: 0.7135561988348892
Energy: 0.7015385317774331
Energy: 0.7910444232872264
Energy: 0.7479308455483198

minimum gb energy = 0.6828080261380159 eV
minimum distance =  2.35304122433003 Angstroms
sigma value = 43


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

Energy: 1.2624097076908187
Energy: 0.7998652975277107
Energy: 0.7499902610123013
Energy: 0.6984763751065405
Energy: 0.7989927650222144
Energy: 0.6980618016227814
Energy: 0.6839545017408096
Energy: 0.7005942898704374
Energy: 0.6891358138279398
Energy: 0.7249005112094395
Energy: 0.6819688873450563
Energy: 0.6878345485929844
Energy: 0.682493220690175
Energy: 0.670593137000652
Energy: 0.6701730743271612
Energy: 0.7183399700897134
Energy: 0.6706143299506508
Energy: 0.683957004442668
Energy: 0.6839783001825334
Energy: 0.6697522248903557
Energy: 0.6887498494099177
Energy: 0.6839960031544042
Energy: 0.6751647669088033
Energy: 0.6842042510842811
Energy: 0.682616719801936
Energy: 0.6953326016936614
Energy: 0.6916069051237483
Energy: 0.6825472642777244
Energy: 0.6889271502742207
Energy: 0.6907324523814863
Energy: 0.6829260313751232
Energy: 0.6886797134316357
Energy: 0.6888809406136773
Energy: 0.6888666596013069
Energy: 0.68954409515776
Energy: 0.6891344724897371
Energy: 0.6836948236783156
Energy: 0.6838934275877554
Energy: 0.6905445019314502
Energy: 0.6882687832998471
Energy: 0.6838209385639421
Energy: 0.6904171737323501
Energy: 0.7734730023868256
Energy: 0.6822934462780227
Energy: 0.6823799465619721
Energy: 0.701434459986973
Energy: 0.6829978944725624
Energy: 0.6831195996843442
Energy: 0.6789955125391384
Energy: 0.6827966144094899
Energy: 0.6822807840592029
Energy: 0.6789016570951457
Energy: 0.7257070338504016
Energy: 0.6903471629178765
Energy: 0.8202510250674168
Energy: 0.6873123705870313
Energy: 0.6868133907989725
Energy: 0.7635358313038938
Energy: 0.6880774248999664
Energy: 0.689863360419857
Energy: 0.6938324021422113
Energy: 0.6954636436682426
Energy: 0.7112298208254497
Energy: 0.6780158357824997
Energy: 0.6822210370089615
Energy: 0.6866719982414039
Energy: 0.6876040249528191
Energy: 0.6847077569992467
Energy: 0.6848360852209583
Energy: 0.693811890144799
Energy: 0.6847643881213594
Energy: 0.6849321410199262
Energy: 0.8034170801293754
Energy: 0.6852056342722296
Energy: 0.6945559346422505
Energy: 0.6733578783090716
Energy: 0.684258630480897
Energy: 0.6947167643616642
Energy: 0.6927365864465886
Energy: 0.6904427702342388
Energy: 0.690133382497763
Energy: 0.6812790279186489
Energy: 0.6838508828412797
Energy: 0.6900195182719772
Energy: 0.6950663851013729
Energy: 0.6958907120939763
Energy: 0.7113383345210216
Energy: 0.7030696781344125
Energy: 0.6869944044875704
Energy: 0.7117194242251889
Energy: 0.6919077937091949
Energy: 0.6904374253498906
Energy: 0.7084389172262733
Energy: 0.6917537024428951
Energy: 0.6937850099916404
Energy: 0.691145034875819
Energy: 0.6898270547978884
Energy: 0.7042109825475528
Energy: 0.7044636398162867
Energy: 0.6898997823640577
Energy: 0.7106314614005054
Energy: 0.7063045266550778
Energy: 0.6895903387736768
Energy: 0.6960763672068231
Energy: 0.7058573142618517
Energy: 0.7080987587300781
Energy: 0.6965372495440456
Energy: 0.7080481629138643
Energy: 0.6931518915473247
Energy: 0.6919427545215179
Energy: 0.7011174772857506
Energy: 0.693314575629797
Energy: 0.6919522160975143
Energy: 0.6857411090675721
Energy: 0.7891564142830534
Energy: 0.7011716440368291
Energy: 0.7014769589287437
Energy: 0.6946330406581306
Energy: 0.701531559397452
Energy: 0.684916660229659
Energy: 0.6895841376013939
Energy: 0.6963347831161
Energy: 0.6962225798286495
Energy: 0.7038426046058347
Energy: 0.6904010310610483
Energy: 0.6961871221733565
Energy: 0.7733613556987711
Energy: 0.6994052887391297
Energy: 0.6973926683485535
Energy: 0.7738326718873412
Energy: 0.6783889347179525
Energy: 0.7773018594545356
Energy: 0.6964245182049215
Energy: 0.6968225348389832
Energy: 0.6961437389290652
Energy: 0.7044932527409709
Energy: 0.7069277365906202
Energy: 0.7077469209526166
Energy: 0.7471859900945373
Energy: 0.7010838336371658
Energy: 0.7015191594108784
Energy: 0.7308428413115632
Energy: 0.6918058030149501
Energy: 0.704930309485763
Energy: 0.697897539850178
Energy: 0.6915079255609072
Energy: 0.7013008003054503
Energy: 0.6967407051520947
Energy: 0.690981308840667
Energy: 0.7011549584780454
Energy: 0.7203457528445943
Energy: 0.7017986246204343
Energy: 0.7046444116124647
Energy: 0.710169690405363
Energy: 0.6922516383704193
Energy: 0.7097846338966743
Energy: 0.7205655086409247
Energy: 0.7047341089187672
Energy: 0.7051247290563734
Energy: 0.6917159208310487
Energy: 0.7021006488845628
Energy: 0.7100327818048787
Energy: 0.7292193826074613
Energy: 0.6912471847822181
Energy: 0.6908386410697147
Energy: 0.6835353902783319
Energy: 0.6951619796708186
Energy: 0.6894452674484356
Energy: 0.6839685483405414
Energy: 0.6850099739071138
Energy: 0.6848496288894714
Energy: 0.6838286652619
Energy: 0.701551378245494
Energy: 0.6846862248979757
Energy: 0.683361274978966
Energy: 0.6911701830443648
Energy: 0.6906595626618538
Energy: 0.7241088623872174
Energy: 0.6822980300076624
Energy: 0.6881292044225259
Energy: 0.6848803042995772
Energy: 0.7310491899849688
Energy: 0.7058716766989023
Energy: 0.6985238988822071
Energy: 0.7376601092769711
Energy: 0.7066140442764633

minimum gb energy = 0.6697522248903557 eV
minimum distance =  2.36870836237345 Angstroms
sigma value = 57


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

Energy: 0.9665976918875367
Energy: 0.7912469494879547
Energy: 0.7027935880908771
Energy: 0.6685894237146849
Energy: 0.7905769295318973
Energy: 0.7025712911568415
Energy: 0.692752039535093
Energy: 0.7044888161442306
Energy: 0.676831273490356
Energy: 0.7075636698066153
Energy: 0.7069633771944548
Energy: 0.683635534224478
Energy: 0.676593830620828
Energy: 0.6524886156634321
Energy: 0.651423496306392
Energy: 0.692952925316576
Energy: 0.6535103099242799
Energy: 0.64965586192628
Energy: 0.6954175082254688
Energy: 0.6779324302434369
Energy: 0.6512803880352838
Energy: 0.6960248618269365
Energy: 0.6507506532692324
Energy: 0.6822712875933769
Energy: 0.6950714290685606
Energy: 0.6739030052853053
Energy: 0.6719863463672736
Energy: 0.6775026430620241
Energy: 0.6809451633402595
Energy: 0.6761304877539761
Energy: 0.6522623184973427
Energy: 0.6711164327254698
Energy: 0.676206233979912
Energy: 0.675076873315229
Energy: 0.680340633541765
Energy: 0.6768908863943981
Energy: 0.7063637780203007
Energy: 0.6970080729487411
Energy: 0.68294531950684
Energy: 0.6901092743214168
Energy: 0.6967570821073709
Energy: 0.6817804611396704
Energy: 0.7025908879984268
Energy: 0.6828898247199149
Energy: 0.6744372455588497
Energy: 0.6825830652355402
Energy: 0.6828880737049496
Energy: 0.6953482088916503
Energy: 0.7035831451837948
Energy: 0.6937967740663892
Energy: 0.6919055917778892
Energy: 0.7063023316538686
Energy: 0.7023006617717825
Energy: 0.6849416604802202
Energy: 0.8360639071704613
Energy: 0.6905515482898786
Energy: 0.6942918675132435
Energy: 0.7049894773622906
Energy: 0.6781613654017098
Energy: 0.6943982696659226
Energy: 0.6809474020014111
Energy: 0.676439176821697
Energy: 0.6816612856843788
Energy: 0.7083691328929739
Energy: 0.6890442685827128
Energy: 0.7074291233838508
Energy: 0.6624718954024569
Energy: 0.6933556366874228
Energy: 0.704999146798381
Energy: 0.6643793633579802
Energy: 0.7026984903338843
Energy: 0.7067910683821879
Energy: 0.6621711318636584
Energy: 0.6937033054591023
Energy: 0.7222839891889322
Energy: 0.6497487629540982
Energy: 0.6942199606459499
Energy: 0.7243596047769544
Energy: 0.6865201351836058
Energy: 0.6849109661683841
Energy: 0.6857677178556995
Energy: 0.7066049232261833
Energy: 0.7074973189731072
Energy: 0.6838406846445257
Energy: 0.680045733511357
Energy: 0.6620663677412485
Energy: 0.6628145072645721
Energy: 0.6981114715835384
Energy: 0.6558628568479052
Energy: 0.6624974081616823
Energy: 0.6957640390006904
Energy: 0.6830476096239821
Energy: 0.6817032655790689
Energy: 0.6962763115910606
Energy: 0.6759402862888974
Energy: 0.6823705930061779
Energy: 0.6989229106901871
Energy: 0.6741568560176946
Energy: 0.6741313544656924
Energy: 0.6782549754321155
Energy: 0.6741651242997406
Energy: 0.6773712178918755
Energy: 0.6979773015067315
Energy: 0.6784151115909749
Energy: 0.6720328089507029
Energy: 0.679753680402999
Energy: 0.6799323680508318
Energy: 0.6816513746136775
Energy: 0.7125046378347379
Energy: 0.6973473762809919
Energy: 0.7039142469893984
Energy: 0.676091945329754
Energy: 0.6960805041069316
Energy: 0.7073242418194594
Energy: 0.7130489127806346
Energy: 0.6934910537608266
Energy: 0.7045653781527524
Energy: 0.6765653848325042
Energy: 0.6929595983557306
Energy: 0.7071917933153904
Energy: 0.6919682426449056
Energy: 0.7173802245293468
Energy: 0.6902427922266422
Energy: 0.7076904724851776
Energy: 0.7047287383007133
Energy: 0.6815508904917865
Energy: 0.8274274750420947
Energy: 0.6894693131338684
Energy: 0.676685374254582
Energy: 0.6781756107013938
Energy: 0.6889421889890033
Energy: 0.6770406299576366
Energy: 0.6864645856839946
Energy: 0.705616957477924
Energy: 0.673100942718227
Energy: 0.7065527821360992
Energy: 0.707377201186868
Energy: 0.6872637913699462
Energy: 0.6622237635912623
Energy: 0.6938062762935455
Energy: 0.7221524239483702
Energy: 0.6747414480368065
Energy: 0.6934081174169232
Energy: 0.7242148655339173

minimum gb energy = 0.64965586192628 eV
minimum distance =  2.35194939428266 Angstroms
sigma value = 17


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

Energy: 0.6277698292476364
Energy: 0.7106006799191181
Energy: 0.8078076980456426
Energy: 0.65957378295625
Energy: 0.6962734700424593
Energy: 0.6837393502897923
Energy: 0.7586407537568018
Energy: 0.7238806374135983
Energy: 0.7182812018645958
Energy: 0.7343998356600238
Energy: 0.7245918651979026
Energy: 0.6734180474905349
Energy: 0.8972774293190642
Energy: 0.6328748524572322
Energy: 0.633030954665622
Energy: 0.7247930611507708
Energy: 0.6326998546363223
Energy: 0.6454727820391336
Energy: 0.7342393145577473
Energy: 0.6326356183045216
Energy: 0.6471305199755231
Energy: 0.7352836360207518
Energy: 0.6464450028748103
Energy: 0.7168520479241276
Energy: 0.6480851290931884
Energy: 0.6334479893103873
Energy: 0.6259718603832038
Energy: 0.6491265120887032
Energy: 0.6331811702551348
Energy: 0.6321174666963321
Energy: 0.6503280208425425
Energy: 0.6324480770106667
Energy: 0.6255657371935671
Energy: 0.6099193609518394
Energy: 0.6433215781965769
Energy: 0.6205170249195961
Energy: 0.6447971248898743
Energy: 0.6399154536699256
Energy: 0.6398738049623166
Energy: 0.6414155563331537
Energy: 0.6432710947342173
Energy: 0.6259464771848091
Energy: 0.6295167750853121
Energy: 0.6174377356606938
Energy: 0.61221286576666
Energy: 0.6128342373781096
Energy: 0.6129574434464243
Energy: 0.6149332332467562
Energy: 0.6415995332917805
Energy: 0.6135452277785957
Energy: 0.613317857438359
Energy: 0.6429552309180612
Energy: 0.6158477642196075
Energy: 0.6315215920356626
Energy: 0.6451662937275344
Energy: 0.6245239746358598
Energy: 0.6248273610786803
Energy: 0.6411419447865915
Energy: 0.6244899631899584
Energy: 0.6248704587610365
Energy: 0.652237631497803
Energy: 0.6317620161131171
Energy: 0.6322677021052768
Energy: 0.6407600815469874
Energy: 0.7304745244305249
Energy: 0.632796828375711
Energy: 0.6492266995345444
Energy: 0.7303700590640892
Energy: 0.7295384068097677
Energy: 0.6292754547445993
Energy: 0.7301178892389677
Energy: 0.7197933014796489
Energy: 0.7293826892547034
Energy: 0.7105944857511742
Energy: 0.7136731914065952
Energy: 0.6267934637894371
Energy: 0.7128820707384973
Energy: 0.7126348806392747
Energy: 0.7352320662399576
Energy: 0.7248233866899143
Energy: 0.718565482995932
Energy: 0.7347990476490756
Energy: 0.7307625705534442
Energy: 0.6575596030208186
Energy: 0.699396645120426
Energy: 0.7222219942653314
Energy: 0.7194127073512764
Energy: 0.7133755088732311
Energy: 0.7183024161534551
Energy: 0.7312443260873656
Energy: 0.8151176624113456
Energy: 0.7309606219142534
Energy: 0.6656250507694872
Energy: 0.7246069849116219
Energy: 0.7347172595540398
Energy: 0.7286475855193758
Energy: 0.7213676915669663
Energy: 0.7187433899258348
Energy: 0.8014316085619713
Energy: 0.6424438771106511
Energy: 0.7250615141500727
Energy: 0.801782826413851

minimum gb energy = 0.6099193609518394 eV
minimum distance =  2.37687005799486 Angstroms
sigma value = 17


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

Energy: 1.1806696786633015
Energy: 0.8709054756681242
Energy: 0.6487311515301891
Energy: 0.6465431283997191
Energy: 0.7227392191311456
Energy: 0.646476604559062
Energy: 0.7784891272920538
Energy: 0.7047849699397417
Energy: 0.5963263047926476
Energy: 0.7135801615218806
Energy: 0.701856890501317
Energy: 0.6493093070738746
Energy: 0.8540932244449331
Energy: 0.5740533817213723
Energy: 0.6040471169776139
Energy: 0.720917713024176
Energy: 0.5745439026652002
Energy: 0.60777963073274
Energy: 0.7169089696277121
Energy: 0.6343604259066455
Energy: 0.6289396041848179
Energy: 0.7179720709582161
Energy: 0.5787041308995252
Energy: 0.6485167909243332
Energy: 0.6275042736144434
Energy: 0.6001849205757633
Energy: 0.596650447747657
Energy: 0.6280025365055953
Energy: 0.6145221250493806
Energy: 0.5982139706745522
Energy: 0.6300671059050433
Energy: 0.5934697477536376
Energy: 0.5718080866052059
Energy: 0.5761795633081854
Energy: 0.6186024858445872
Energy: 0.5726704556102757
Energy: 0.5795833648382309
Energy: 0.6186264901805146
Energy: 0.6185423302185237
Energy: 0.56629531066497
Energy: 0.6218503983058981
Energy: 0.5685317078358095
Energy: 0.5805967028668748
Energy: 0.5596339294576334
Energy: 0.5653991998941414
Energy: 0.5686767296031212
Energy: 0.5592377800513406
Energy: 0.5651506680554657
Energy: 0.5812991390990221
Energy: 0.5652882556952741
Energy: 0.581053285594577
Energy: 0.5820373932228273
Energy: 0.574842269035783
Energy: 0.5803981760943756
Energy: 0.5797193106565629
Energy: 0.5630575908414128
Energy: 0.563363666270195
Energy: 0.5798702124955999
Energy: 0.5626787499357295
Energy: 0.5632486922132062
Energy: 0.5900544038499089
Energy: 0.5809297372260358
Energy: 0.562559917357928
Energy: 0.562063808412414
Energy: 0.5800141071536434
Energy: 0.562191806178603
Energy: 0.5830168796484172
Energy: 0.580749893329042
Energy: 0.5804152913696241
Energy: 0.5840996964487231
Energy: 0.5845983910439555
Energy: 0.5816907666634062
Energy: 0.5925792618029696
Energy: 0.5651015964396092
Energy: 0.5645467446025699
Energy: 0.5657492416720291
Energy: 0.6067360484058679
Energy: 0.5655318104041067
Energy: 0.619651805000507
Energy: 0.5683694920921205
Energy: 0.568310043511676
Energy: 0.6212320492893393
Energy: 0.5665837232557555
Energy: 0.6186764105558327
Energy: 0.618616376882474
Energy: 0.5680701292521165
Energy: 0.5739040511230933
Energy: 0.6188343138601764
Energy: 0.5668216369905602
Energy: 0.5896921213550735
Energy: 0.7149548152142482
Energy: 0.6165647510652031
Energy: 0.5975960322925316
Energy: 0.6142631829331898
Energy: 0.6248148201827884
Energy: 0.6009951827609182
Energy: 0.5807802148213114
Energy: 0.7142506625557008
Energy: 0.714066417412729
Energy: 0.5782186387373297
Energy: 0.7200147257709456
Energy: 0.5949962713123126
Energy: 0.6412106364991706
Energy: 0.6961603017412785
Energy: 0.7008868888205514
Energy: 0.6304256863888938
Energy: 0.6989516253166409
Energy: 0.5942528591928113
Energy: 0.7936438663585497
Energy: 0.7139954032372953
Energy: 0.6495185485184699
Energy: 0.714522664716133
Energy: 0.6241413218162449
Energy: 0.5966726418359963
Energy: 0.857681949127512
Energy: 0.6123519739470528
Energy: 0.6119558247896212
Energy: 0.6972452131732745
Energy: 0.5997025438461504
Energy: 0.7016841687356038
Energy: 0.8504962381902115
Energy: 0.6604330830804169
Energy: 0.6826879129883213
Energy: 0.7151670865791778
Energy: 0.697488821552996
Energy: 0.7007609590047249
Energy: 0.5895870609442355
Energy: 0.7086950082852045
Energy: 0.7782590674557861
Energy: 0.6283282671049771
Energy: 0.7020086373048285
Energy: 0.6313660752087803
Energy: 0.5918596839865042
Energy: 0.7067905159385616
Energy: 0.7017171840873562
Energy: 0.5932836584461266
Energy: 0.6976550455038737
Energy: 0.6623692277521387
Energy: 0.8492278256729989
Energy: 0.6220426886173606
Energy: 0.7008550450891989
Energy: 0.7152662859349489
Energy: 0.5771908814512197
Energy: 0.661576877599099
Energy: 0.7137351775688761
Energy: 0.5763211743671061
Energy: 0.604325209493651
Energy: 0.7139103503398984
Energy: 0.5762387671717994
Energy: 0.6104508312363194
Energy: 0.6299786818344905
Energy: 0.5941404225646777
Energy: 0.5986566044498399
Energy: 0.6268888368424944
Energy: 0.6136777493171954
Energy: 0.6169807090008741
Energy: 0.5707279158662883
Energy: 0.6013896648506335
Energy: 0.6038899226965244
Energy: 0.5742194458075948
Energy: 0.5954713080309574
Energy: 0.5747422868350455
Energy: 0.576783351286642
Energy: 0.6250053082850674
Energy: 0.6189899759533065
Energy: 0.5769608199911506
Energy: 0.620990855064551
Energy: 0.6187058701239518
Energy: 0.5801324069099989
Energy: 0.5680856734777945
Energy: 0.568760615795498
Energy: 0.5676831556518747
Energy: 0.6186842221181899
Energy: 0.5687603396253692
Energy: 0.5800706115589122
Energy: 0.5587095103553517
Energy: 0.5654289364215824
Energy: 0.5803165403376958
Energy: 0.5592568038931449
Energy: 0.5649911840744594
Energy: 0.5843829844748565
Energy: 0.5644443720175469
Energy: 0.5645935397042074
Energy: 0.5855030213589443
Energy: 0.5599444515300475
Energy: 0.5747957904003085
Energy: 0.5807972472920998
Energy: 0.5645672854648288
Energy: 0.5644804331577166
Energy: 0.5721485081395347
Energy: 0.560855869196067
Energy: 0.5644284848211658
Energy: 0.5882470645210597
Energy: 0.5853597531848391
Energy: 0.58051163537428
Energy: 0.588484591881684
Energy: 0.5815140172547326
Energy: 0.5805190109560193
Energy: 0.6335492081452971
Energy: 0.5713465871191953
Energy: 0.5677836256957758
Energy: 0.5661835736164322
Energy: 0.5652410550414813
Energy: 0.5691162681772156
Energy: 0.6252334117883277
Energy: 0.5680133291679504
Energy: 0.5679275261450505
Energy: 0.6256370720741591
Energy: 0.5682114064380605
Energy: 0.5687701561180645
Energy: 0.6263233462612723
Energy: 0.566790335466749
Energy: 0.5938174999949559
Energy: 0.6272165275170339
Energy: 0.5669941920119326
Energy: 0.6149936097440809
Energy: 0.7981257807155281
Energy: 0.5943847375130097
Energy: 0.5941503044559795
Energy: 0.6165945826403044
Energy: 0.6245063090910695
Energy: 0.5895394700077368
Energy: 0.5865837596411442
Energy: 0.7187955930968559
Energy: 0.714379321942015
Energy: 0.6063996088980027
Energy: 0.7155920786652481
Energy: 0.6167383407627035
Energy: 0.610426149226387
Energy: 0.6856293922208937
Energy: 0.6116915101240004
Energy: 0.5905018198718714
Energy: 0.6788770741386417
Energy: 0.6038047662270078
Energy: 0.6186746695088169
Energy: 0.6977122651582861
Energy: 0.6795809906876734
Energy: 0.6296518744299756
Energy: 0.7171303544604524
Energy: 0.6239232286329235
Energy: 0.7995220157724062
Energy: 0.5958353476358822
Energy: 0.6885390981655151
Energy: 0.701207362225873
Energy: 0.5964876100010835
Energy: 0.6921427733102199
Energy: 0.8555073306097203
Energy: 0.6483675080312875
Energy: 0.5975552598522762
Energy: 0.7153011021649937
Energy: 0.6284961000411543
Energy: 0.681342144152293
Energy: 0.5932224895208983
Energy: 0.7063581018855176
Energy: 0.7012772731271536
Energy: 0.5910035951242375
Energy: 0.7142182754447591
Energy: 0.6620602640527291

minimum gb energy = 0.5587095103553517 eV
minimum distance =  2.37677951054033 Angstroms
sigma value = 57


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

Energy: 0.5396394915501633
Energy: 0.8786063878652692
Energy: 0.6178546414840584
Energy: 0.5521314611430129
Energy: 0.895989292024196
Energy: 0.6182870705521168
Energy: 0.7629230911478694
Energy: 0.565505042867235
Energy: 0.5669540725876642
Energy: 0.6536155315692537
Energy: 0.5700745342177556
Energy: 0.5651567600381724
Energy: 0.8058592168611783
Energy: 0.5420640505411691
Energy: 0.5426176229609465
Energy: 0.6938033859003565
Energy: 0.5419509701209125
Energy: 0.5817233591537262
Energy: 0.6888736305257599
Energy: 0.5418352470457105
Energy: 0.6110450830997661
Energy: 0.5915168987164939
Energy: 0.5434305609224318
Energy: 0.6138407025894969
Energy: 0.5938595500180508
Energy: 0.5653208537831704
Energy: 0.5683116274425186
Energy: 0.5936329734380459
Energy: 0.5884471469745942
Energy: 0.5654343405438298
Energy: 0.546172124024068
Energy: 0.5634501582790166
Energy: 0.5409629665748066
Energy: 0.5243864433362783
Energy: 0.599136258655696
Energy: 0.5417452487360833
Energy: 0.5532695606604011
Energy: 0.605327932224446
Energy: 0.5991181176150346
Energy: 0.5314816946354113
Energy: 0.6042661630079702
Energy: 0.5360798426598401
Energy: 0.7238153879673735
Energy: 0.5201238747214956
Energy: 0.5200675448153234
Energy: 0.5345671113516299
Energy: 0.5198401891251444
Energy: 0.5306433199664427
Energy: 0.5562434148120903
Energy: 0.5525538342257431
Energy: 0.5542399119357904
Energy: 0.5577484012141762
Energy: 0.5596864797749025
Energy: 0.5539310253534618
Energy: 0.5670222535317269
Energy: 0.5259995836603671
Energy: 0.5254486918982993
Energy: 0.5532117876943647
Energy: 0.5253712309112634
Energy: 0.5262684962527031
Energy: 0.538696596828577
Energy: 0.5330032739793562
Energy: 0.5298158503047882
Energy: 0.5147891171583594
Energy: 0.545890329203875
Energy: 0.5167650443200785
Energy: 0.5570847775619052
Energy: 0.5401581611474607
Energy: 0.5447610468103768
Energy: 0.5337767918787731
Energy: 0.5374690512436134
Energy: 0.5191772920130776
Energy: 0.5333056974843143
Energy: 0.5689192057582124
Energy: 0.5233803900832379
Energy: 0.5219877472807626
Energy: 0.5738398644485444
Energy: 0.5231114330868493
Energy: 0.5341380666474224
Energy: 0.5186923626845114
Energy: 0.5341770826939107
Energy: 0.5352940397118107
Energy: 0.5388296547268464
Energy: 0.544523843643987
Energy: 0.5325919992832532
Energy: 0.5179977348196324
Energy: 0.5173356042030969
Energy: 0.5329376253697388
Energy: 0.5195763032217803
Energy: 0.5172394918404553
Energy: 0.5654757496634378
Energy: 0.5649858330557016
Energy: 0.5234224461721324
Energy: 0.5243340359551707
Energy: 0.5627784742521673
Energy: 0.5222541936910099
Energy: 0.5347453027212064
Energy: 0.5630184387664905
Energy: 0.5532161393770015
Energy: 0.5251486699154809
Energy: 0.5598694714661244
Energy: 0.5361390696282784
Energy: 0.5362423955257917
Energy: 0.5393364940309218
Energy: 0.5400554118244819
Energy: 0.536893012788564
Energy: 0.5393560979019385
Energy: 0.5402166920868428
Energy: 0.5996591056102436
Energy: 0.5372067733906185
Energy: 0.5659063843262411
Energy: 0.6013195793248941
Energy: 0.5393989487249334
Energy: 0.5996494634241091
Energy: 0.6808881513980988
Energy: 0.5439252182070967
Energy: 0.5432206751100215
Energy: 0.5882221026156403
Energy: 0.5340838396291288
Energy: 0.566379797052124
Energy: 0.751234567836335
Energy: 0.5906598513255751
Energy: 0.5898941817312798
Energy: 0.5881982103917911
Energy: 0.5898276913360854
Energy: 0.5663985863399127
Energy: 0.5338087187875797
Energy: 0.69900298460111
Energy: 0.5999981983586131
Energy: 0.532498311032248
Energy: 0.6959727830664377
Energy: 0.5629380316316271
Energy: 0.557779326987857
Energy: 0.6367521830253118
Energy: 0.6308308242628844
Energy: 0.5696161429644798
Energy: 0.6904011208343406
Energy: 0.6282580434909752
Energy: 0.7513794662261447
Energy: 0.592734207074711
Energy: 0.5658516893690629
Energy: 0.5897650796832387
Energy: 0.5991665378949951
Energy: 0.5692538520071926
Energy: 0.8099481476307011
Energy: 0.5655542768953632
Energy: 0.5619603660331802
Energy: 0.6694659874680046
Energy: 0.5656698949468372
Energy: 0.6515829745414052
Energy: 0.8015356309999687
Energy: 0.6321114382493811
Energy: 0.6330543628488764
Energy: 0.6906909245745402
Energy: 0.6539180084437711
Energy: 0.5626502271181876
Energy: 0.5383742140368776
Energy: 0.6715094536350026
Energy: 0.6096919635928476
Energy: 0.5441821603507271
Energy: 0.6764535135901063
Energy: 0.5823032338016384

minimum gb energy = 0.5147891171583594 eV
minimum distance =  2.38820628876522 Angstroms
sigma value = 43


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

Energy: 0.4630357791982863
Energy: 0.647307978574208
Energy: 0.5499442294915892
Energy: 0.4678164568860037
Energy: 0.6875376668141773
Energy: 0.5174711837088142
Energy: 0.641732735968036
Energy: 0.48153041296766724
Energy: 0.4774602083718111
Energy: 0.5590288087241257
Energy: 0.5125768163143609
Energy: 0.4782011628768884
Energy: 0.6900835707860369
Energy: 0.45413655111022255
Energy: 0.470997117956851
Energy: 0.5619602451975314
Energy: 0.4533378791893853
Energy: 0.47155957183136327
Energy: 0.6012983764628104
Energy: 0.47022120089599484
Energy: 0.4718621408029878
Energy: 0.5140975115742291
Energy: 0.5599166950785521
Energy: 0.5309238055844266
Energy: 0.5324412403082365
Energy: 0.4817364427772439
Energy: 0.4768953739326635
Energy: 0.5051118022013226
Energy: 0.5042707412305852
Energy: 0.4774820505524042
Energy: 0.4491498419710911
Energy: 0.532377410921837
Energy: 0.4645101415543582
Energy: 0.4623803320055929
Energy: 0.5319664771561358
Energy: 0.4717243555451468
Energy: 0.6341160220722274
Energy: 0.532134730964951
Energy: 0.5320196617420752
Energy: 0.4551728997050122
Energy: 0.537294307266776
Energy: 0.4532744625309864
Energy: 0.6279490467384187
Energy: 0.4381651988411328
Energy: 0.4463581037699846
Energy: 0.45484338210945574
Energy: 0.4373264221332238
Energy: 0.44514170604544034
Energy: 0.49387639724844634
Energy: 0.44460661840724147
Energy: 0.49992351244943406
Energy: 0.49539287674723886
Energy: 0.4579807227704172
Energy: 0.49182255279373627
Energy: 0.47916348069382764
Energy: 0.4399736374067697
Energy: 0.4400980100526706
Energy: 0.49226308835187643
Energy: 0.439471028336007
Energy: 0.43975708291271576
Energy: 0.44548687336741066
Energy: 0.4674583031975903
Energy: 0.43774127387296685
Energy: 0.4519768808965784
Energy: 0.46777185673771265
Energy: 0.4351272032795259
Energy: 0.49613595676048483
Energy: 0.4676570622267888
Energy: 0.4677624463347175
Energy: 0.4366981204839775
Energy: 0.47403089830128853
Energy: 0.44298751562987687
Energy: 0.6016881269514747
Energy: 0.4662478419316146
Energy: 0.47146902504260374
Energy: 0.470550162038304
Energy: 0.46443218925667196
Energy: 0.4719086331431989
Energy: 0.45375965637485094
Energy: 0.43503458592935096
Energy: 0.4536043963740117
Energy: 0.45489045858085253
Energy: 0.4472893298520144
Energy: 0.4537260652973404
Energy: 0.4534012793773722
Energy: 0.43126835470138974
Energy: 0.43082506739564264
Energy: 0.45347373391790896
Energy: 0.43172476799510917
Energy: 0.4303740550109063
Energy: 0.44828674704017507
Energy: 0.44700845449231186
Energy: 0.43259792147517373
Energy: 0.4288945145566097
Energy: 0.44707456218450237
Energy: 0.428353741245
Energy: 0.45640901052162614
Energy: 0.4469471176456334
Energy: 0.4470900419733478
Energy: 0.43240894371265925
Energy: 0.4470405285513594
Energy: 0.43368693341117887
Energy: 0.4473271088267609
Energy: 0.4330898701213013
Energy: 0.433930844208522
Energy: 0.4470189944066899
Energy: 0.46229929948774556
Energy: 0.43365995316100564
Energy: 0.4474095101418045
Energy: 0.4451800882782826
Energy: 0.44723511820605244
Energy: 0.4485580259969303
Energy: 0.5269081704811784
Energy: 0.4471103508802281
Energy: 0.44702925197633764
Energy: 0.437844066413353
Energy: 0.4383636783695338
Energy: 0.44775182172674044
Energy: 0.4621594548591513
Energy: 0.4383305456222513
Energy: 0.47054227027927054
Energy: 0.4535362088570475
Energy: 0.4536704647479604
Energy: 0.4519523370980766
Energy: 0.45370749480522743
Energy: 0.4383063465531304
Energy: 0.4509454765029325
Energy: 0.45358689417226716
Energy: 0.4490837817318636
Energy: 0.43109260518744424
Energy: 0.4538301320835852
Energy: 0.43111164677859465
Energy: 0.4675902943089693
Energy: 0.43405541250508645
Energy: 0.43377180794932096
Energy: 0.46762021563461753
Energy: 0.433703160818559
Energy: 0.43373987958316673
Energy: 0.46780509131307746
Energy: 0.4433443528685561
Energy: 0.46771781571869625
Energy: 0.46915233464001943
Energy: 0.44570863568543434
Energy: 0.4675183407839349
Energy: 0.6123750112173186
Energy: 0.45355585744280735
Energy: 0.46203972867725235
Energy: 0.484650694019881
Energy: 0.45301426342974377
Energy: 0.46097843136482813
Energy: 0.5656852211952983
Energy: 0.4921713587346847
Energy: 0.49180990592138474
Energy: 0.43876285930876247
Energy: 0.49225194409890527
Energy: 0.4452389045645844
Energy: 0.4476796140817551
Energy: 0.4917660823268544
Energy: 0.45262430802937936
Energy: 0.4381271212405622
Energy: 0.4917366255067874
Energy: 0.4425823226259997
Energy: 0.5071849282228116
Energy: 0.45619560816618393
Energy: 0.45464929463009024
Energy: 0.49665674991675196
Energy: 0.4786856082198434
Energy: 0.4535843325968818
Energy: 0.5344834928296571
Energy: 0.45674596273262097
Energy: 0.5355547876579129
Energy: 0.5357214214700818
Energy: 0.4557382314968255
Energy: 0.5319704640292194
Energy: 0.6494947422402619
Energy: 0.44592312298401027
Energy: 0.45836635180049656
Energy: 0.5127774575906726
Energy: 0.4455622177553551
Energy: 0.4580811439526257
Energy: 0.6483886547833708
Energy: 0.5123572155048626
Energy: 0.512403909407657
Energy: 0.5125132581170285
Energy: 0.512303824635959
Energy: 0.4807332102473167
Energy: 0.45534566286320993
Energy: 0.565229585134642
Energy: 0.4845953056831252
Energy: 0.45432440665908064
Energy: 0.6004591309700826
Energy: 0.4719177836660144
Energy: 0.596748420531199
Energy: 0.5154523224331155
Energy: 0.515676197022372
Energy: 0.5157179688706484
Energy: 0.559661508311199
Energy: 0.516101641519196
Energy: 0.6502366895581032
Energy: 0.4872811408488644
Energy: 0.4870749820895698
Energy: 0.5140656596575447
Energy: 0.5643187864636434
Energy: 0.5590581758966846
Energy: 0.6910441468566572
Energy: 0.46891037568534805
Energy: 0.49128811842436143
Energy: 0.5624377062805248
Energy: 0.46863890676294784
Energy: 0.5196559272913438
Energy: 0.6590614246805022
Energy: 0.5145081821806753
Energy: 0.5155590921419081
Energy: 0.6006105182742179
Energy: 0.558661131659134
Energy: 0.4789981236187456

minimum gb energy = 0.428353741245 eV
minimum distance =  2.41502004264254 Angstroms
sigma value = 81


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

Energy: 0.03646664941578179
Energy: 0.03720338535720619
Energy: 0.03703584421010355
Energy: 0.03853726211085797
Energy: 0.11415540336150254
Energy: 0.03704650089490572
Energy: 0.06729524950873712
Energy: 0.0374029939331965
Energy: 0.03741709315077902
Energy: 0.06844505256754588
Energy: 0.038437622720169755
Energy: 0.037404783102521474
Energy: 0.0662121404674687
Energy: 0.0371182593523563
Energy: 0.03751395148182222
Energy: 0.0663261805115523
Energy: 0.037007828673286725
Energy: 0.06644524794797264
Energy: 0.03928696704315582
Energy: 0.037143596782864635
Energy: 0.03709945656676006
Energy: 0.0411084517782866
Energy: 0.03703757886526786
Energy: 0.06683011420511085
Energy: 0.06641104278785137
Energy: 0.06629234807963505
Energy: 0.06637729975522738
Energy: 0.06730990024814103
Energy: 0.066069206027423
Energy: 0.06780688974365558
Energy: 0.03753371911654416
Energy: 0.037740566703111274
Energy: 0.03710868696794314
Energy: 0.03876990387725212
Energy: 0.03713664006916661
Energy: 0.03703064121260713
Energy: 0.0664347774947252
Energy: 0.03753545251986746
Energy: 0.037514655307741736
Energy: 0.06662778023846831
Energy: 0.03916003039885034
Energy: 0.03753791717049411
Energy: 0.06618793209042934
Energy: 0.03717531282948463
Energy: 0.037225793348183635
Energy: 0.06617380384791953
Energy: 0.0368881037760802
Energy: 0.06759541104696058
Energy: 0.03819215868184799
Energy: 0.0371522630121239
Energy: 0.06859166607941868
Energy: 0.039138886338867515
Energy: 0.03719607922232059
Energy: 0.06810735595495578
Energy: 0.03734635600212364
Energy: 0.06599098719324206
Energy: 0.06623403623407192
Energy: 0.03740196983162398
Energy: 0.06601863549649639
Energy: 0.06597128842414027

minimum gb energy = 0.03646664941578179 eV
minimum distance =  2.53115473265827 Angstroms
sigma value = 3


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

Energy: 0.549692104883282
Energy: 0.5347788494195632
Energy: 0.5389427917201626
Energy: 0.5121517499018032
Energy: 0.5335436682414902
Energy: 0.514021605325763
Energy: 0.5552175360990885
Energy: 0.5391910687204374
Energy: 0.5415804605711944
Energy: 0.5386241641704704
Energy: 0.5419243008140416
Energy: 0.541818937584428
Energy: 0.5535978051752097
Energy: 0.5158335798700588
Energy: 0.5158502299728894
Energy: 0.5359988239536028
Energy: 0.5128360796937219
Energy: 0.5324179170215106
Energy: 0.5193888149179933
Energy: 0.516165959265638
Energy: 0.5157772342755109
Energy: 0.5191187215553205
Energy: 0.4664521957922435
Energy: 0.5329321935779626
Energy: 0.4757017291191644
Energy: 0.543640669509939
Energy: 0.5426169754375351
Energy: 0.4758725847922961
Energy: 0.540661601807666
Energy: 0.5420080954808599
Energy: 0.5139449393122985
Energy: 0.5405847686864537
Energy: 0.525944607699945
Energy: 0.44081532755654784
Energy: 0.5406947708585702
Energy: 0.499007656104711
Energy: 0.5211088843549518
Energy: 0.48319102141593656
Energy: 0.48390950547818057
Energy: 0.5210571851315499
Energy: 0.48680127260121564
Energy: 0.5284855224922039
Energy: 0.5190364986842388
Energy: 0.506672778327548
Energy: 0.507111341112878
Energy: 0.5191005458727489
Energy: 0.48427207281990226
Energy: 0.4892782330295555
Energy: 0.5323208897888814
Energy: 0.5076064579166722
Energy: 0.5321657529447438
Energy: 0.5349645487951308
Energy: 0.44686954878769186
Energy: 0.5322308270836463
Energy: 0.49213192877691375
Energy: 0.4820519226443674
Energy: 0.4815628378074593
Energy: 0.4925470976076099
Energy: 0.48700173634794197
Energy: 0.4954295492947005
Energy: 0.5094626425709156
Energy: 0.513190347730076
Energy: 0.5140338559892271
Energy: 0.432171727464662
Energy: 0.5152572231630373
Energy: 0.49096721578800423
Energy: 0.451902782408056
Energy: 0.5171138096087458
Energy: 0.5184480024028896
Energy: 0.4512077546070108
Energy: 0.5157512726695245
Energy: 0.45112066594089767
Energy: 0.45263727304280815
Energy: 0.48093986091499324
Energy: 0.4959920787610548
Energy: 0.45264884320433824
Energy: 0.4188921251464046
Energy: 0.474458340254894
Energy: 0.5067318145490883
Energy: 0.47466554522209264
Energy: 0.4980636996870501
Energy: 0.45431650237708043
Energy: 0.43359895261169545
Energy: 0.4976178699264426
Energy: 0.5033002976536787
Energy: 0.4300731546068134
Energy: 0.42980114791939883
Energy: 0.5013332048238972
Energy: 0.4350973886281093
Energy: 0.4301192285039298
Energy: 0.5008714474609096
Energy: 0.4871830879952107
Energy: 0.48703718583705424
Energy: 0.4842462794571998
Energy: 0.49783712319065904
Energy: 0.4868224485957865
Energy: 0.42533937088882917
Energy: 0.4867029399761608
Energy: 0.4852500816804263
Energy: 0.41907482670644797
Energy: 0.4880688153868148
Energy: 0.4188699499492586
Energy: 0.41993895695617195
Energy: 0.48142132012458166
Energy: 0.481710785654581
Energy: 0.41995124946665596
Energy: 0.42125010750856046
Energy: 0.4820973568769553
Energy: 0.49391659657697967
Energy: 0.4563387303639155
Energy: 0.48071883411112326
Energy: 0.4535334874850024
Energy: 0.454771652414291
Energy: 0.4810356754068588
Energy: 0.4974677488074786
Energy: 0.41910750749039244
Energy: 0.41887102695651623
Energy: 0.49859014489178805
Energy: 0.424458413733242
Energy: 0.41915038838419183
Energy: 0.49738280325975076
Energy: 0.48376515914752516
Energy: 0.4868602697503275
Energy: 0.4971758194692535
Energy: 0.5019720722062315
Energy: 0.48551822598867367
Energy: 0.43338115133052885
Energy: 0.48400375971955484
Energy: 0.4845479981537364
Energy: 0.43110102103270587
Energy: 0.4853139095197514
Energy: 0.42998282373521685
Energy: 0.4300935921025485
Energy: 0.49800797278712783
Energy: 0.4981553338045972
Energy: 0.43013385051391206
Energy: 0.453277680549689
Energy: 0.4957366910576368
Energy: 0.5040750902189574
Energy: 0.45263166253566395
Energy: 0.4801321685002404
Energy: 0.46348327632762915
Energy: 0.4524016603466878
Energy: 0.4862459219566254
Energy: 0.5230996607845446
Energy: 0.4511354682939808
Energy: 0.4509279127635517
Energy: 0.5229066094822471
Energy: 0.4569456972632972
Energy: 0.45134862211626686
Energy: 0.5179093624485447
Energy: 0.5000669393976378
Energy: 0.5002852483180318
Energy: 0.5191608348802752
Energy: 0.4811396246453891
Energy: 0.5137087955348468
Energy: 0.4859889042309525
Energy: 0.4997518780006217
Energy: 0.4999827078610017
Energy: 0.4854568239619236
Energy: 0.5208064626082807
Energy: 0.4963989262244591
Energy: 0.461752136513459
Energy: 0.5366176019394191
Energy: 0.5355650018931811
Energy: 0.4617353312617007
Energy: 0.4789744147667435
Energy: 0.5359813118355238
Energy: 0.5130812469875928
Energy: 0.5196350175368909
Energy: 0.5109015735800899
Energy: 0.43191252299875743
Energy: 0.519987301512687
Energy: 0.4945191404922802
Energy: 0.4844836061254563
Energy: 0.5235997185533746
Energy: 0.5238576189796523
Energy: 0.4846611386175306
Energy: 0.5244626372387132
Energy: 0.532073988801474
Energy: 0.5213806634400381
Energy: 0.5119791729196908
Energy: 0.512504667793454
Energy: 0.5216181597834852
Energy: 0.4859593341422924
Energy: 0.5126683698455211
Energy: 0.5560181034323436
Energy: 0.5100801102884645
Energy: 0.5407500969220251
Energy: 0.5375570956814124
Energy: 0.4878386365367661
Energy: 0.5419456968038785
Energy: 0.48657091165785105
Energy: 0.5185933649371367
Energy: 0.5178003699362732
Energy: 0.4863747188627298
Energy: 0.523797017036558
Energy: 0.514057961211017

minimum gb energy = 0.4188699499492586 eV
minimum distance =  2.35334990022573 Angstroms
sigma value = 67


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

Energy: 0.6622252431074743
Energy: 0.6586067268269774
Energy: 0.6515298587472163
Energy: 0.551500281954848
Energy: 0.659640831032983
Energy: 0.6551824304108818
Energy: 0.6763562022188938
Energy: 0.6536601970675154
Energy: 0.6460061043108464
Energy: 0.6514892366728329
Energy: 0.6533111329355303
Energy: 0.6486854955812537
Energy: 0.6703204055823181
Energy: 0.6276019218658881
Energy: 0.6463087344018644
Energy: 0.6507301827218183
Energy: 0.6285783138957702
Energy: 0.642540281797528
Energy: 0.6195557833591293
Energy: 0.6431400110541126
Energy: 0.6427534472178863
Energy: 0.6195850727118809
Energy: 0.637078815402858
Energy: 0.6421049236663273
Energy: 0.6131460731201307
Energy: 0.6538207588699463
Energy: 0.6508149592252953
Energy: 0.6134622801958118
Energy: 0.6544438921946772
Energy: 0.6490443577766658
Energy: 0.6225888025025844
Energy: 0.6443702792304261
Energy: 0.6299075891945816
Energy: 0.5686308518552861
Energy: 0.6444038571327768
Energy: 0.6290297205594995
Energy: 0.6236875299606418
Energy: 0.6212061800245435
Energy: 0.6187996229637688
Energy: 0.6224439308977108
Energy: 0.618968237879821
Energy: 0.6175062037613547
Energy: 0.6206448012448628
Energy: 0.6099299373802975
Energy: 0.6151091095769483
Energy: 0.6154545748129134
Energy: 0.5417997056454253
Energy: 0.6172532598868672
Energy: 0.6301732598047254
Energy: 0.6341154371170459
Energy: 0.6368723870837509
Energy: 0.6321941485683815
Energy: 0.5687303512781532
Energy: 0.6366887962723267
Energy: 0.6334214215770333
Energy: 0.5721533294781045
Energy: 0.568958019353027
Energy: 0.6336975045943414
Energy: 0.570611845766881
Energy: 0.5689560135962503
Energy: 0.6302231752373813
Energy: 0.6163016273071114
Energy: 0.6156543157917951
Energy: 0.5423084799117378
Energy: 0.6162297404255452
Energy: 0.6164649691146878
Energy: 0.546840045431042
Energy: 0.6121059973473717
Energy: 0.6123459468219866
Energy: 0.5465657687755207
Energy: 0.5715306254668145
Energy: 0.540963130969214
Energy: 0.5486004398336255
Energy: 0.6070351085920729
Energy: 0.6057420370983738
Energy: 0.5414989555301334
Energy: 0.5441320317505987
Energy: 0.5413399951378662
Energy: 0.6139409108972099
Energy: 0.6077336992462685
Energy: 0.6052538941594007
Energy: 0.542437795058568
Energy: 0.5821189025173484
Energy: 0.6044042542180126
Energy: 0.6159356526672493
Energy: 0.5446644961951959
Energy: 0.5490125433867
Energy: 0.6160994860325517
Energy: 0.5435803515926558
Energy: 0.5417504444194733
Energy: 0.6164580125967192
Energy: 0.6174182144456447
Energy: 0.6139128950938375
Energy: 0.5709269396986865
Energy: 0.5896188539952039
Energy: 0.6119217639353514
Energy: 0.5736984658018431
Energy: 0.6080037497392882
Energy: 0.6044980887665691
Energy: 0.5742244311718467
Energy: 0.5365140332130272
Energy: 0.5684708485642339
Energy: 0.5687256321617843
Energy: 0.6339654577714571
Energy: 0.6377450821909125
Energy: 0.5691412807069987
Energy: 0.6340082430215567
Energy: 0.6113929211029561
Energy: 0.6138384207975758
Energy: 0.6311405779606841
Energy: 0.6207257133399271
Energy: 0.5500852748372905
Energy: 0.6310878337926983
Energy: 0.6205576392654994
Energy: 0.6235466128409033
Energy: 0.6259945964444581
Energy: 0.6189833017989145
Energy: 0.6237846790008645
Energy: 0.6195376280807753
Energy: 0.6170248368274389
Energy: 0.6174452890259597
Energy: 0.6423326947833884
Energy: 0.6398890065544235
Energy: 0.617616682385249
Energy: 0.6161346399715909
Energy: 0.641773353196165
Energy: 0.669791188747106
Energy: 0.6151542491945
Energy: 0.640186228933065
Energy: 0.6506624443340419
Energy: 0.6151231035290119
Energy: 0.6415030553486484
Energy: 0.6354954847806251
Energy: 0.6199461832771846
Energy: 0.6262334669702878
Energy: 0.6359658581358836
Energy: 0.6178480559249173
Energy: 0.617504851687386

minimum gb energy = 0.5365140332130272 eV
minimum distance =  2.34850027476088 Angstroms
sigma value = 33


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

Energy: 0.7653275385330778
Energy: 0.7450741280343436
Energy: 0.7617746352263307
Energy: 0.7443188058090757
Energy: 0.7455901244973374
Energy: 0.7222560297911144
Energy: 0.7723475452562754
Energy: 0.6795446866876678
Energy: 0.679382642587088
Energy: 0.6773400407613202
Energy: 0.7460941890927334
Energy: 0.6344797009851114
Energy: 0.7574747948107358
Energy: 0.6707738800896031
Energy: 0.7180054010364344
Energy: 0.7299796902836423
Energy: 0.677626619978265
Energy: 0.6801652681999316
Energy: 0.680681329901656
Energy: 0.7018650454236792
Energy: 0.717974337959086
Energy: 0.6807842226916826
Energy: 0.7283970180601583
Energy: 0.7190529610869232
Energy: 0.6792886505592287
Energy: 0.6822311688981134
Energy: 0.6280518547551837
Energy: 0.6791108345728153
Energy: 0.6817959597724763
Energy: 0.6341659411569369
Energy: 0.7144333415393438
Energy: 0.628082862373908
Energy: 0.6274496984852953
Energy: 0.6291945525247178
Energy: 0.6274094880676537
Energy: 0.6363658611466236
Energy: 0.6793502000466827
Energy: 0.6290669467713476
Energy: 0.6280221948967026
Energy: 0.6794536696126166
Energy: 0.6282262974642662
Energy: 0.6790936526875562
Energy: 0.680536589154964
Energy: 0.6253682873114955
Energy: 0.641652859105306
Energy: 0.6804116309656578
Energy: 0.6303861703273057
Energy: 0.6337495581580382
Energy: 0.6991300816575713
Energy: 0.6778511563276008
Energy: 0.7058267723961291
Energy: 0.6345035099318242
Energy: 0.6282166598694453
Energy: 0.7025282889551773
Energy: 0.69919149809758
Energy: 0.6309948092929888
Energy: 0.6269895885530284
Energy: 0.7001857369708187
Energy: 0.6272819739558229
Energy: 0.6266692786203047
Energy: 0.6642846720934774
Energy: 0.6722279717609874
Energy: 0.6876608387151306
Energy: 0.6293857372972939
Energy: 0.6646347180293022
Energy: 0.6860818461547876
Energy: 0.6259214761421521
Energy: 0.6278632745423622
Energy: 0.62896631417229
Energy: 0.6257741280136946
Energy: 0.6383212701308874
Energy: 0.6261968739648516
Energy: 0.626405176717055
Energy: 0.7032978639123115
Energy: 0.7037645800491594
Energy: 0.6263933029269121
Energy: 0.6354422373476234
Energy: 0.626437659281116
Energy: 0.6137564637572188
Energy: 0.633030244855573
Energy: 0.6995374810946375
Energy: 0.6144210004000955
Energy: 0.6992466495734666
Energy: 0.6844071131317762
Energy: 0.7090026053061329
Energy: 0.6831736572058731
Energy: 0.6331821814146946
Energy: 0.6120323547832902
Energy: 0.6801200400565125
Energy: 0.6776190723244961
Energy: 0.6735575343592048
Energy: 0.6114738204891756
Energy: 0.6105261554875393
Energy: 0.6743970631010145
Energy: 0.6379157797994003
Energy: 0.6739347390461562
Energy: 0.7595852102135835
Energy: 0.637509242678803
Energy: 0.6113194543596588
Energy: 0.7303149777622311
Energy: 0.6424894171712292
Energy: 0.6106153122519699
Energy: 0.7597186810004438
Energy: 0.6808293327510055
Energy: 0.6791421428142586
Energy: 0.6766857927325121
Energy: 0.6799930252049943
Energy: 0.7279986088493299
Energy: 0.7173139599931575
Energy: 0.7315740067683622
Energy: 0.7346442866544167
Energy: 0.6429544965336228
Energy: 0.7315367048104552
Energy: 0.7048051707504903
Energy: 0.7112023001196298
Energy: 0.6821373740718749
Energy: 0.6827698410222326
Energy: 0.7117142152200493
Energy: 0.6818867978007519
Energy: 0.6341819610698868
Energy: 0.7609556019843998
Energy: 0.712131428209263
Energy: 0.6297389229472438
Energy: 0.7314363994744116
Energy: 0.6845279189662204
Energy: 0.62961451953765
Energy: 0.7326078078880836
Energy: 0.6711210943910335
Energy: 0.7180442474962537
Energy: 0.7321829141805463
Energy: 0.6711756623081039
Energy: 0.7195219997059474
Energy: 0.6791672053726435
Energy: 0.6827492584807692
Energy: 0.6345708350422026
Energy: 0.679394084507475
Energy: 0.6823623208828486
Energy: 0.6783007112987949
Energy: 0.7143016511815323
Energy: 0.6272389144387606
Energy: 0.6276216228738932
Energy: 0.625375781812495
Energy: 0.6266779812138852
Energy: 0.6944824330835951
Energy: 0.6788350541600858
Energy: 0.6281841283151691
Energy: 0.6277998810930215
Energy: 0.6789875248995594
Energy: 0.6281975972321517
Energy: 0.7243247633377635
Energy: 0.6840259784046988
Energy: 0.6256281357466427
Energy: 0.7021454584238092
Energy: 0.6803537706715143
Energy: 0.6297157339462262
Energy: 0.6351348238243202
Energy: 0.6984485730931229
Energy: 0.6767976393776574
Energy: 0.7069085614904853
Energy: 0.7017487034126264
Energy: 0.6425299067650297
Energy: 0.7034137609974599
Energy: 0.6991420292186077
Energy: 0.6268107734872121
Energy: 0.6268969394608583
Energy: 0.7000774299672958
Energy: 0.6277101063486079
Energy: 0.6265041312110684
Energy: 0.6630621091527513
Energy: 0.6656255104928508
Energy: 0.6844501841644853
Energy: 0.630203350061776
Energy: 0.6635378393125274
Energy: 0.6879987223189611
Energy: 0.6257863532381204
Energy: 0.6270413017696694
Energy: 0.628643392690414
Energy: 0.625848324842782
Energy: 0.6405839846975937
Energy: 0.6263877310308748
Energy: 0.6286020558796289
Energy: 0.7015023923745369
Energy: 0.6695062933680496
Energy: 0.6267222463145377
Energy: 0.6345832261623047
Energy: 0.6262692952958011
Energy: 0.6112530213523942
Energy: 0.6325561070510833
Energy: 0.6987827522361989
Energy: 0.614589976634649
Energy: 0.7031263139220714
Energy: 0.6850250944518044
Energy: 0.7031406514356412
Energy: 0.684101230384444
Energy: 0.6363540659115274
Energy: 0.613025907970009
Energy: 0.6810101700946112
Energy: 0.674140499912532
Energy: 0.6733720376253428
Energy: 0.715766304290844
Energy: 0.6730162239599612
Energy: 0.6336859789833674
Energy: 0.6383126719665115
Energy: 0.6727729392539025
Energy: 0.8000935566716503
Energy: 0.6376930843281616
Energy: 0.6112127608254153
Energy: 0.7329580766079562
Energy: 0.6151355953940056
Energy: 0.6108247801385489
Energy: 0.7635669006687926
Energy: 0.6822965542182623
Energy: 0.6326450105272703
Energy: 0.6823984784852806
Energy: 0.6822417825426546
Energy: 0.6325701567064824
Energy: 0.7175996152962942
Energy: 0.731423957537434
Energy: 0.7340747332057572
Energy: 0.6407872361163562
Energy: 0.7313936415694982
Energy: 0.7040021010068469

minimum gb energy = 0.6105261554875393 eV
minimum distance =  2.36729680556799 Angstroms
sigma value = 41


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

Energy: 0.8735891858204983
Energy: 0.7713587898578438
Energy: 0.8402949365783552
Energy: 0.7380289134064479
Energy: 0.771427502200553
Energy: 0.8391069962270741
Energy: 0.875876181110626
Energy: 0.775697698350278
Energy: 0.7768288812591262
Energy: 0.7733148520626903
Energy: 0.7749481649961896
Energy: 0.752540428926286
Energy: 0.8781669664075321
Energy: 0.7371350728827869
Energy: 0.7347872331559596
Energy: 0.7737744041610682
Energy: 0.7404139084288702
Energy: 0.7367932430307507
Energy: 0.7768967488943593
Energy: 0.7373511188727517
Energy: 0.7353805388325326
Energy: 0.7772115314568051
Energy: 0.738576155793039
Energy: 0.7617212403504838
Energy: 0.7608196861053766
Energy: 0.7765945595083138
Energy: 0.7544756472152975
Energy: 0.7610638213491451
Energy: 0.7761053739950092
Energy: 0.737657853739971
Energy: 0.7745866244199865
Energy: 0.7788053384992036
Energy: 0.7369829047308459
Energy: 0.7634045213861459
Energy: 0.7786427738022692
Energy: 0.7362314635549652
Energy: 0.7596641565012596
Energy: 0.7397092421275513
Energy: 0.7510041645107836
Energy: 0.7597134997355239
Energy: 0.7381336016242752
Energy: 0.7402781707187617
Energy: 0.7635763901626915
Energy: 0.7388326164177743
Energy: 0.737296309038176
Energy: 0.7644888131956938
Energy: 0.7646642762928125
Energy: 0.7643636789381929
Energy: 0.803883276323435
Energy: 0.7385320755475059
Energy: 0.7365750192004599
Energy: 0.8037587226566069
Energy: 0.7813681198888797
Energy: 0.7366132773925431
Energy: 0.7779756007093589
Energy: 0.7647139420821326
Energy: 0.772389160291719
Energy: 0.766408943925822
Energy: 0.7608614812192245
Energy: 0.7365193419539687
Energy: 0.8304178732965466
Energy: 0.7741441865002985
Energy: 0.7407671709324521
Energy: 0.8296988103487177
Energy: 0.7232345465474478
Energy: 0.7401175562313393
Energy: 0.882548383714308
Energy: 0.722880646066182
Energy: 0.7234241479465594
Energy: 0.8836562883888642
Energy: 0.7226097268523404
Energy: 0.7742047697049856
Energy: 0.8812140917610327
Energy: 0.7628379068276052
Energy: 0.7528640797096234
Energy: 0.7740793696260103
Energy: 0.7637867657684108
Energy: 0.7523787522551111
Energy: 0.7217936715006318
Energy: 0.7754727744798376
Energy: 0.7283759614285173
Energy: 0.7264648456169321
Energy: 0.7751776959823621
Energy: 0.7246734767819895

minimum gb energy = 0.7217936715006318 eV
minimum distance =  2.35491101489418 Angstroms
sigma value = 11


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

Energy: 0.8515465764940618
Energy: 0.9290897445697806
Energy: 0.9067691291891417
Energy: 0.8844180485577756
Energy: 0.8832540710089085
Energy: 0.860255499653625
Energy: 1.0087756769609233
Energy: 0.8557268750102228
Energy: 0.8588071412881272
Energy: 0.8926288651703201
Energy: 0.8549835138346028
Energy: 0.8841990252693758
Energy: 1.0088450326084588
Energy: 0.8577975899427845
Energy: 0.862401800510622
Energy: 0.8614624131684337
Energy: 0.8584927186253198
Energy: 0.8754509837057549
Energy: 0.8844573594100972
Energy: 0.8487223827982037
Energy: 0.8795926787791837
Energy: 0.857882248927654
Energy: 0.8509676444726376
Energy: 0.8791814013659781
Energy: 0.8789877819107426
Energy: 0.8567405217025224
Energy: 0.8570054697681095
Energy: 0.8644985768154814
Energy: 0.859484122164227
Energy: 0.8849494233075914
Energy: 0.9011128465117132
Energy: 0.8630427345015106
Energy: 0.8664357909336246
Energy: 0.8566936420348464
Energy: 0.8726182794468542
Energy: 0.8709886043068208
Energy: 0.8728557120443587
Energy: 0.8661873076635925
Energy: 0.8663809580020105
Energy: 0.8727977182688285
Energy: 0.874258740585656
Energy: 0.870603352495396
Energy: 0.8707948968588339
Energy: 0.8572758961223849
Energy: 0.8840630684976584
Energy: 0.8569399326559413
Energy: 0.8992965507134265
Energy: 0.858267170349804
Energy: 0.8504906454223651
Energy: 0.8753024920337635
Energy: 0.8799424569319337
Energy: 0.845140378673583
Energy: 0.8635477712006445
Energy: 0.8469555976695473
Energy: 0.8503982177528142
Energy: 0.8749907140755038
Energy: 0.880414015642766
Energy: 0.8472681764990762
Energy: 0.8616064008928471
Energy: 0.8509228195499362
Energy: 0.8711808921887318
Energy: 0.8591499935413196
Energy: 0.8850061627467471
Energy: 0.857015431281642
Energy: 0.8610159686298878
Energy: 0.8577663153972618
Energy: 0.8564337075664081
Energy: 0.8550839339029543
Energy: 0.8616884666162726
Energy: 0.8567686803307254
Energy: 0.861297088535464
Energy: 0.8714441511280373
Energy: 0.8550489938619009
Energy: 0.8574605066789046
Energy: 0.8571367814021092
Energy: 0.8548784788057416
Energy: 0.8652326591236853
Energy: 0.8856273772559531
Energy: 0.8704654899905162
Energy: 0.8739563507509266
Energy: 0.8689965397431468
Energy: 0.8584531638494126
Energy: 0.8933523137015332
Energy: 0.8633989370257765
Energy: 0.8495983706468756
Energy: 0.8568917148818811
Energy: 0.8781008137008656
Energy: 0.8539433704204356
Energy: 0.8586311984221948
Energy: 0.8785282334646295
Energy: 0.8496588520406603
Energy: 0.85616398160119
Energy: 0.8796160505558972
Energy: 0.8507621905143575
Energy: 0.8588392389896741
Energy: 0.8493111549937822
Energy: 0.848771116137297
Energy: 0.8536227750647936
Energy: 0.8810244276752733
Energy: 0.849181868660572
Energy: 0.854630527814146
Energy: 0.8719495764476113
Energy: 0.8872754459773894
Energy: 0.873477193104449
Energy: 0.8938087850156743
Energy: 0.8583780638214753
Energy: 0.9228723619549745
Energy: 0.8590123256363862
Energy: 0.8646106302973684
Energy: 0.8542508005567472
Energy: 0.8534855643826884
Energy: 0.8651568466420161
Energy: 0.8544760241764481
Energy: 0.8816418805841717
Energy: 0.874694078700715
Energy: 0.8475126837164483
Energy: 0.8592600287281975
Energy: 0.8601203386799233
Energy: 0.8514007919285431
Energy: 0.8731941750063765
Energy: 0.9285032568311568
Energy: 0.8507983703752326
Energy: 0.8737956818118503
Energy: 0.8574441514582752
Energy: 0.851066305339798
Energy: 0.8567146187280276
Energy: 0.8903578336367622
Energy: 0.8569214352681358
Energy: 0.8560847152641141
Energy: 0.8707275297708302
Energy: 0.8579041309890513
Energy: 0.8711129165024564
Energy: 0.8711057569755003
Energy: 0.869157489059586
Energy: 0.8740044257782046
Energy: 0.8582138337517842
Energy: 0.8600601127688853
Energy: 0.8620969832424791
Energy: 0.9254259652691277
Energy: 0.8652639617995591
Energy: 0.872599873200907
Energy: 0.8658731077156263
Energy: 0.8613751292272234
Energy: 0.8532748383106491
Energy: 0.9212400830702947
Energy: 0.8578928802215143
Energy: 0.8719921655021985
Energy: 0.9222816267309547
Energy: 0.855755607789909
Energy: 0.8614249253575215
Energy: 0.9193299631894539
Energy: 0.8637561460281972
Energy: 0.8791156940246119
Energy: 0.8584368715625394
Energy: 0.8532736769228692
Energy: 0.8792292853341226
Energy: 0.8984580087010056
Energy: 0.855057486770406
Energy: 0.8494753394119211
Energy: 0.8587689611484097
Energy: 0.8510782204793061
Energy: 0.8787588186707767
Energy: 0.8987491128733349
Energy: 0.8505204966149783
Energy: 0.8790317470913508
Energy: 0.8583398567558456
Energy: 0.853812255893689
Energy: 0.8782101815622182
Energy: 0.9125929705026953
Energy: 0.8596813187902458
Energy: 0.8606894753764824
Energy: 0.8588751260864632
Energy: 0.8813442354431715
Energy: 0.8678699816346739
Energy: 1.0080707510288283
Energy: 0.855462464077353
Energy: 0.8839818710129828
Energy: 0.8657452119449934
Energy: 0.8551163655738041
Energy: 0.8786911886434035
Energy: 0.8848004467757936
Energy: 0.858511431837794
Energy: 0.8715140472994748
Energy: 0.8519114164940066
Energy: 0.8575558853434497
Energy: 0.8589503340690048

minimum gb energy = 0.845140378673583 eV
minimum distance =  2.34926776159816 Angstroms
sigma value = 57


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

Energy: 1.1842160785617797
Energy: 0.8749265847330786
Energy: 0.9652868153443463
Energy: 0.9615278534805174
Energy: 1.2713580133988978
Energy: 0.9635066184337121
Energy: 0.9160873153920703
Energy: 0.8742372621834769
Energy: 0.8714766538940087
Energy: 0.8801894719471656
Energy: 0.8783490756592011
Energy: 0.8687210345955809
Energy: 0.9143993499575055
Energy: 0.8908239422547827
Energy: 0.8889489983772911
Energy: 0.915319549941032
Energy: 0.8752114660312569
Energy: 0.8726001778656778
Energy: 0.8724514672634369
Energy: 0.8764657380328664
Energy: 0.8677969763360963
Energy: 0.8735668101176162
Energy: 0.8713248377467119
Energy: 0.8688593488085086
Energy: 0.8774037063889765
Energy: 0.8760555386820438
Energy: 0.8718272213812611
Energy: 0.8743631940118294
Energy: 0.8737847609054885
Energy: 0.8693326684181985
Energy: 0.874414065844259
Energy: 0.8800357274594067
Energy: 0.8779574348221633
Energy: 0.877957934252443
Energy: 0.9163455929125829
Energy: 0.8715831677322964
Energy: 0.9130157348602337
Energy: 0.8891696413518473
Energy: 0.89428768029061
Energy: 0.9140214730887508
Energy: 0.8853425181295294
Energy: 0.9339390780937472
Energy: 0.955354390009098
Energy: 0.8762047282605963
Energy: 0.8725305957085175
Energy: 0.8767189033924625
Energy: 0.8749140384245686
Energy: 0.867921039746755
Energy: 0.8512762939278323
Energy: 0.8751157939122904
Energy: 0.8891735711482226
Energy: 0.8557381488918514
Energy: 0.8723238150746788
Energy: 0.8912226408782141
Energy: 0.8506239941162888
Energy: 0.8744256190984215
Energy: 0.8893717393075977
Energy: 0.8551051179117157
Energy: 0.8734347564969026
Energy: 0.8524342598946852
Energy: 0.9133762345134769
Energy: 0.8773786875155308
Energy: 0.880636722496896
Energy: 0.8770176100295862
Energy: 0.8751805345656049
Energy: 0.8683437926017695
Energy: 0.9040869679669721
Energy: 0.8920425214444064
Energy: 0.8893376099175777
Energy: 0.9044253773297112
Energy: 0.8937659349606424
Energy: 0.8755625307967166
Energy: 0.8808565058896368
Energy: 0.8738951836846955
Energy: 0.8993022786314301
Energy: 0.8797388919004198
Energy: 0.8774690873811947
Energy: 0.8680017343965746
Energy: 0.8734883612979749
Energy: 0.9153250238637112
Energy: 0.8749877830976427
Energy: 0.8780303390497711
Energy: 0.9158771188382766
Energy: 0.8772589263708485
Energy: 0.8781946165086265
Energy: 0.8866334391055787
Energy: 0.8697154110413311
Energy: 0.8764327450530538
Energy: 0.8862749066610491
Energy: 0.8680879618666674
Energy: 0.916339715479735
Energy: 0.8871474189572433
Energy: 0.8869323652867243
Energy: 0.9142284987492519
Energy: 0.8867417759511164
Energy: 0.8781660425765138
Energy: 0.8507043714701089
Energy: 0.8800730614962069
Energy: 0.8712570072976521
Energy: 0.8513052865798328
Energy: 0.8787898045292967
Energy: 0.8723353715001171

minimum gb energy = 0.8506239941162888 eV
minimum distance =  2.35843206635975 Angstroms
sigma value = 9


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

Energy: 1.4491614529229406
Energy: 0.9417810103130985
Energy: 0.9250529282563962
Energy: 0.9235494840813007
Energy: 1.364066819745804
Energy: 0.9237824813401989
Energy: 0.930891063106222
Energy: 0.9172009166644569
Energy: 0.918883400134659
Energy: 0.9146916257527854
Energy: 0.9395082004349624
Energy: 0.9174014970555723
Energy: 0.9254735160939109
Energy: 0.9243416610719335
Energy: 0.9213813972850592
Energy: 0.9053546231337334
Energy: 0.9141401700256883
Energy: 0.9187084086003869
Energy: 0.9110462124306892
Energy: 0.9159959860058211
Energy: 0.9307936588507384
Energy: 0.9137534434681234
Energy: 0.9139136113596745
Energy: 0.9290350053965137
Energy: 0.9504013931710994
Energy: 0.8915253799857704
Energy: 0.8887803526426239
Energy: 0.8873030836428345
Energy: 0.887848856159386
Energy: 0.887633073027093
Energy: 0.9218689980554048
Energy: 0.9172850171604798
Energy: 0.9153241215685193
Energy: 0.922744592830125
Energy: 0.9204412932851787
Energy: 0.9154622474663878
Energy: 0.905527038690713
Energy: 0.9159317318484977
Energy: 0.9077123049813092
Energy: 0.8866919553237083
Energy: 0.9193389696949877
Energy: 0.9169816618435976
Energy: 0.9417339960322698
Energy: 0.9157331733338738
Energy: 0.9195812044441147
Energy: 0.9065502020514971
Energy: 0.914805450967863
Energy: 0.9201958080949911
Energy: 0.9611200978981171
Energy: 0.8911381703636894
Energy: 0.8895391837247829
Energy: 0.9373505982927326
Energy: 0.887961698198094
Energy: 0.9203064299488867
Energy: 0.9609014628817333
Energy: 0.8895525535374492
Energy: 0.8870231915690678
Energy: 0.9374028657059966
Energy: 0.9069459447641935
Energy: 0.8868912581661239
Energy: 0.9416717829142872
Energy: 0.9040520346643136
Energy: 0.9033022230211897
Energy: 0.9082161962950995
Energy: 0.9022224833072088
Energy: 0.8886637309843571
Energy: 0.9468763304219748
Energy: 0.9160811412369374
Energy: 0.9225155190027431
Energy: 0.9269839585759448
Energy: 0.9144531981149212
Energy: 0.9168090470153977
Energy: 0.9609819320244994
Energy: 0.9162187754041188
Energy: 0.9168172181077006
Energy: 0.927538282730014
Energy: 0.9133604988238949
Energy: 0.9149484367083708
Energy: 0.9474004603011758
Energy: 0.9143656542751903
Energy: 0.9157613256089294
Energy: 0.9278038151239151
Energy: 0.9148333508378781
Energy: 0.9284621974180156
Energy: 0.9410209812035952
Energy: 0.902988081789041
Energy: 0.8862963307678414
Energy: 0.9266312977924916
Energy: 0.9009470920974628
Energy: 0.890509710410648
Energy: 0.9256870239647395
Energy: 0.9276462328721858
Energy: 0.8853847018410438
Energy: 0.9262885803504933
Energy: 0.9354882029862059
Energy: 0.885540433508601
Energy: 0.931778626733234
Energy: 0.9272815658691653
Energy: 0.9294418253216585
Energy: 0.9334870721834331
Energy: 0.9132600526004194
Energy: 0.9155655074495379
Energy: 1.0297311866671233
Energy: 0.9159297559822368
Energy: 0.8875922357143161
Energy: 0.89154400270148
Energy: 0.9326154255691028
Energy: 0.887858569142758
Energy: 0.9266797937671442
Energy: 0.9149812356098544
Energy: 0.9230311217872676
Energy: 0.9269148300450505
Energy: 0.9088617631258457
Energy: 0.9195659029825805
Energy: 0.9259240363173967
Energy: 0.9299934094495038
Energy: 0.9242710727159176
Energy: 0.8871265316149792
Energy: 0.9145260897825064
Energy: 0.9194728614868631
Energy: 0.9310175725868959
Energy: 0.8890178787020256
Energy: 0.9175237129796786
Energy: 0.9145763409728567
Energy: 0.9299330210556797
Energy: 0.8866019604933751

minimum gb energy = 0.8853847018410438 eV
minimum distance =  2.35676064068388 Angstroms
sigma value = 27


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

Energy: 1.0387779597096405
Energy: 0.9034285338958702
Energy: 0.8832551730968998
Energy: 0.8803947807314223
Energy: 0.9724319785288894
Energy: 0.885605211434983
Energy: 1.0349688190705302
Energy: 0.8995461054184988
Energy: 0.8956942580438351
Energy: 0.9013541584366306
Energy: 0.8958996863917759
Energy: 0.8970484580597302
Energy: 0.918655079986313
Energy: 0.9107643140584798
Energy: 0.911534873565729
Energy: 0.8886439046809332
Energy: 0.904235327730118
Energy: 0.9000148100083908
Energy: 0.9233139191347343
Energy: 0.9051017520077137
Energy: 0.903320921352738
Energy: 0.904787037233293
Energy: 0.9052012367891402
Energy: 0.9042152333886126
Energy: 0.90348589190469
Energy: 0.8902462554700652
Energy: 0.8889978022994393
Energy: 0.8919543530207845
Energy: 0.8887367465399122
Energy: 0.8918935492394077
Energy: 0.9354039775801153
Energy: 0.9032046335698274
Energy: 0.9035957764428042
Energy: 0.8961498376683004
Energy: 0.9029256312891902
Energy: 0.9047336914543108
Energy: 0.9129100424975567
Energy: 0.861931854735912
Energy: 0.8600665309641373
Energy: 0.88469143630905
Energy: 0.8751650169375745
Energy: 0.8574394750956806
Energy: 0.9107602667899176
Energy: 0.8824404513914575
Energy: 0.9160104461654551
Energy: 0.8872061004648322
Energy: 0.8851573018685162
Energy: 0.9150093269984918
Energy: 0.9117083150694086
Energy: 0.896498240876443
Energy: 0.8987072210282468
Energy: 0.8953693922443685
Energy: 0.8910357224634854
Energy: 0.9003303553815563
Energy: 0.9109423269299363
Energy: 0.8980206462887919
Energy: 0.8993270229023406
Energy: 0.8967449505642843
Energy: 0.8974217901409446
Energy: 0.9001075279990519
Energy: 0.9112090883850574
Energy: 0.8896114707082606
Energy: 0.890438449899794
Energy: 0.885185440619001
Energy: 0.9001326435824551
Energy: 0.8893926994401117
Energy: 0.9236556558235577
Energy: 0.9123874926514997
Energy: 0.9096271734944233
Energy: 0.9093704254013304
Energy: 0.9072048962125686
Energy: 0.9080194704040893
Energy: 0.8832097552346466
Energy: 0.9150650743652974
Energy: 0.8608383792932621
Energy: 0.8814363313577737
Energy: 0.9139545558961216
Energy: 0.8628444282718998
Energy: 0.8756732314331164
Energy: 0.9196200970365707
Energy: 0.9130580949094896
Energy: 0.8574778048572758
Energy: 0.9183997446684702
Energy: 0.858516037142602
Energy: 0.9275515196544268
Energy: 0.9093129135826807
Energy: 0.9071777145810042
Energy: 0.9077542982913508
Energy: 0.9078413141043216
Energy: 0.9085266815519467
Energy: 0.9418289442532073
Energy: 0.9026818410562083
Energy: 0.8999653757250076
Energy: 0.903692453697966
Energy: 0.9017459392647877
Energy: 0.9049514432455507
Energy: 0.9258303826158953
Energy: 0.9051513297348527
Energy: 0.9119506044801668
Energy: 0.9003031247674939
Energy: 0.9141515714413161
Energy: 0.9136128248558462
Energy: 0.9490260809307101
Energy: 0.900447878719405
Energy: 0.8970620681499735
Energy: 0.8969631783103397
Energy: 0.9003775988385111
Energy: 0.8984301090689756
Energy: 0.9086116267356089
Energy: 0.8568034037016731
Energy: 0.8578390851915338
Energy: 0.9093687838488589
Energy: 0.8566080708666577
Energy: 0.8457804031311347
Energy: 0.917489349205583
Energy: 0.8569346843917457
Energy: 0.8571989486397322
Energy: 0.8902693539751424
Energy: 0.8567805110330025
Energy: 0.8569046280576125
Energy: 0.9180231418882825
Energy: 0.9007513712866235
Energy: 0.901370217751377
Energy: 0.8956455729768816
Energy: 0.9002377352948483
Energy: 0.8996602078674205
Energy: 0.9066608784814039
Energy: 0.8929837032454399
Energy: 0.8951780988340989
Energy: 0.9112411266598573
Energy: 0.8902995245188989
Energy: 0.8951635508039629
Energy: 0.9259306871434092
Energy: 0.9025756205083737
Energy: 0.9071309615922319
Energy: 0.9146274496570616
Energy: 0.9050556274686897
Energy: 0.9025506665730525
Energy: 0.9346134373309722
Energy: 0.9038992077030946
Energy: 0.9017503149533629
Energy: 0.9033899869600348
Energy: 0.9066883502010188
Energy: 0.9009659914989075
Energy: 0.953423852613308
Energy: 0.9213342725664065
Energy: 0.9264663711825472
Energy: 0.8800230072058814
Energy: 0.9389671472642911
Energy: 0.8821818296246872

minimum gb energy = 0.8457804031311347 eV
minimum distance =  2.34175089876514 Angstroms
sigma value = 19


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

Energy: 0.9292773448572741
Energy: 0.912202671202992
Energy: 0.8997951412504896
Energy: 0.8856389371275319
Energy: 0.9183256408107636
Energy: 0.8636901890951629
Energy: 0.9071485533582446
Energy: 0.8749908740073145
Energy: 0.8703660594007403
Energy: 0.8735745911489845
Energy: 0.8750716131412593
Energy: 0.8731524310666435
Energy: 0.9069315303992723
Energy: 0.8734722453017699
Energy: 0.8750006507987154
Energy: 0.8829060844942606
Energy: 0.8763140207697183
Energy: 0.8716661141607114
Energy: 0.9039913361655574
Energy: 0.8762573398964911
Energy: 0.8743357057051164
Energy: 0.874527473956729
Energy: 0.8732514182934271
Energy: 0.8746976734851056
Energy: 0.8977668343492066
Energy: 0.8756307227954143
Energy: 0.8764059662088864
Energy: 0.8804481604658152
Energy: 0.8833451423252476
Energy: 0.8779727587397682
Energy: 0.9159578586170534
Energy: 0.9075131038219858
Energy: 0.8771108243900798
Energy: 0.8953417831158658
Energy: 0.8777132812710227
Energy: 0.8743558843375853
Energy: 0.8978592616016784
Energy: 0.8801143594581444
Energy: 0.8765455083090998
Energy: 0.8739464143322312
Energy: 0.8830912989115449
Energy: 0.8738592751758878
Energy: 0.9014708783853748
Energy: 0.878115911203549
Energy: 0.8683511526843841
Energy: 0.8748411589544914
Energy: 0.8722671347782105
Energy: 0.8705530523924675
Energy: 0.884803861844892
Energy: 0.8704571261013279
Energy: 0.8738798256587911
Energy: 0.873312138477397
Energy: 0.8691673655672955
Energy: 0.8823409526673566
Energy: 0.8852449871380541
Energy: 0.8837906411151141
Energy: 0.8834662691738393
Energy: 0.8732284749328068
Energy: 0.8841409697725413
Energy: 0.8837777503076971
Energy: 0.9064274839995761
Energy: 0.8654929877701608
Energy: 0.8686127906142924
Energy: 0.8842437738914872
Energy: 0.8646150129104172
Energy: 0.852812509100155
Energy: 0.905757430275262
Energy: 0.8686966032951783
Energy: 0.8562881851111204
Energy: 0.8478437663435678
Energy: 0.8734891785015139
Energy: 0.8563051817436986
Energy: 0.9149566958746048
Energy: 0.8728997910314852
Energy: 0.8602516099755078
Energy: 0.8942618248743945
Energy: 0.8759281940173114
Energy: 0.8738144268140322
Energy: 0.9395953138409299
Energy: 0.8844771250073055
Energy: 0.8831748673394122
Energy: 0.8654927810351881
Energy: 0.8937390384414612
Energy: 0.8737027379738554
Energy: 0.9049972892907714
Energy: 0.8685234225877642
Energy: 0.8689829038589766
Energy: 0.8582854623541729
Energy: 0.8691228607718993
Energy: 0.8684887812470221
Energy: 0.9058170305061585
Energy: 0.8662959856756092
Energy: 0.8650526209844326
Energy: 0.8586779652916667
Energy: 0.870437996451147
Energy: 0.8644589872936668
Energy: 0.8967321321146253
Energy: 0.8748794382774104
Energy: 0.8812962604685691
Energy: 0.8694912498117574
Energy: 0.8854729227227636
Energy: 0.8802417906811904
Energy: 0.9218816064356476
Energy: 0.8590108104475315
Energy: 0.8641889954061154
Energy: 0.8753563079843049
Energy: 0.8637916982871534
Energy: 0.8642072956021455
Energy: 0.9159527625772652
Energy: 0.8678329836564845
Energy: 0.8684727083448203
Energy: 0.8848605429524293
Energy: 0.869976040000685
Energy: 0.8716133256972218
Energy: 0.8909115641097671
Energy: 0.8674411383688377
Energy: 0.868632560920077
Energy: 0.8768991834388719
Energy: 0.8671892046227955
Energy: 0.8815875716001337
Energy: 0.8709817236214699
Energy: 0.8751429098300197
Energy: 0.864412091854409
Energy: 0.8735600689780408
Energy: 0.8597850667200397
Energy: 0.8650820410372566
Energy: 0.8685039458863895
Energy: 0.8474069677269539
Energy: 0.8560426525682744
Energy: 0.8696719324928571
Energy: 0.847448645009009
Energy: 0.8561649430745882
Energy: 0.8946816402581681
Energy: 0.8833579236681152
Energy: 0.879036646527413
Energy: 0.8921143969014306
Energy: 0.8638821708884766
Energy: 0.8663473539224451
Energy: 0.915849503301515
Energy: 0.8634641245886553
Energy: 0.8641812809367201
Energy: 0.8959416420751604
Energy: 0.863454029465865
Energy: 0.8702110926675912
Energy: 0.9134576488358903
Energy: 0.8514315408391238
Energy: 0.847315641410471
Energy: 0.8691056218565623
Energy: 0.8552675156312813
Energy: 0.8682298719339916
Energy: 0.901097604176613
Energy: 0.8687925972649184
Energy: 0.8681278370696452
Energy: 0.872550165888575
Energy: 0.8720508675325863
Energy: 0.8734754355837241
Energy: 0.9080971421782221
Energy: 0.8742490094797647
Energy: 0.8741306982977545
Energy: 0.8884547142476721
Energy: 0.8732346571856511
Energy: 0.8812569191915879
Energy: 0.9068397198098215
Energy: 0.877561460823678
Energy: 0.8770504952217117
Energy: 0.8657095975286627
Energy: 0.8724724999523554
Energy: 0.8740623419598041
Energy: 0.9303239726034565
Energy: 0.9200427780868957
Energy: 0.9203119950131267
Energy: 0.8622054938659913
Energy: 0.919569454888319
Energy: 0.8840467448548459

minimum gb energy = 0.847315641410471 eV
minimum distance =  2.33105421433632 Angstroms
sigma value = 101


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

Energy: 1.3015387436656558
Energy: 0.8518435091819094
Energy: 0.8517320719899073
Energy: 0.816228624273587
Energy: 0.8423526801846624
Energy: 0.8149632941739601
Energy: 0.8971981924594281
Energy: 0.8413937800752381
Energy: 0.8504266455214549
Energy: 0.8390998535536321
Energy: 0.8363532332233656
Energy: 0.849426810050878
Energy: 0.8997441306013162
Energy: 0.8403434625662628
Energy: 0.8461208365824555
Energy: 0.8361290477345633
Energy: 0.8394859310267514
Energy: 0.8370354530400915
Energy: 0.8861096941582721
Energy: 0.8427816719715642
Energy: 0.8515383154766603
Energy: 0.837433151727006
Energy: 0.8417609752019113
Energy: 0.8527823782149457
Energy: 0.8510920362510671
Energy: 0.8368729981661893
Energy: 0.8382098422357355
Energy: 0.8522678607993077
Energy: 0.8368985095010557
Energy: 0.8528925072088073
Energy: 0.8564429088140265
Energy: 0.8492947541180731
Energy: 0.8495326803703898
Energy: 0.8397692624727077
Energy: 0.8498877598000375
Energy: 0.8496906480985623
Energy: 0.8842854425154205
Energy: 0.8376147531124118
Energy: 0.8445529423841248
Energy: 0.8637527191756184
Energy: 0.8334967984331272
Energy: 0.8348620199541755
Energy: 0.8711940490793284
Energy: 0.8420947475407945
Energy: 0.8421627515031146
Energy: 0.8596428220057096
Energy: 0.8406949323981504
Energy: 0.8478715400954816
Energy: 0.8382530566940007
Energy: 0.8353544557701319
Energy: 0.8453937785588065
Energy: 0.8364655742212541
Energy: 0.8335987851247473
Energy: 0.8414588810540221
Energy: 0.852784650031718
Energy: 0.8430475390143461
Energy: 0.8592978244872225
Energy: 0.8360114147925877
Energy: 0.8605930485518569
Energy: 0.8434707199403874
Energy: 0.8905789847020541
Energy: 0.8437792383553661
Energy: 0.811586019130135
Energy: 0.8376796402220594
Energy: 0.8278923980040276
Energy: 0.8123263656813307
Energy: 0.8989704241367272
Energy: 0.8420313756511328
Energy: 0.8438097024040195
Energy: 0.8451694351692074
Energy: 0.8407451860456983
Energy: 0.8439846237018994
Energy: 0.85810744318763
Energy: 0.8369131009052913
Energy: 0.8372141147968027
Energy: 0.8333308367556285
Energy: 0.838341475862772
Energy: 0.83701808219389
Energy: 0.8707469430184558
Energy: 0.845789535115201
Energy: 0.851187477406664
Energy: 0.8335032926966843
Energy: 0.8377159162891945
Energy: 0.8483652814272585
Energy: 0.8951427538946858
Energy: 0.8396420252617695
Energy: 0.8425028597960453
Energy: 0.8413153162353456
Energy: 0.8371248979494409
Energy: 0.8448176545267627
Energy: 0.8957765002346466
Energy: 0.8460576702212154
Energy: 0.8515002085520627
Energy: 0.8415152139137376
Energy: 0.8403230657450264
Energy: 0.8528296722189954
Energy: 0.8586030020613755
Energy: 0.8987538897669484
Energy: 0.854761017932433
Energy: 0.8157237159029268
Energy: 0.8982057022420191
Energy: 0.839956236848781
Energy: 0.9332661218290697
Energy: 0.8365736656908025
Energy: 0.8357078183658495
Energy: 0.852558775828156
Energy: 0.8369207953989425
Energy: 0.8510737976056523
Energy: 0.8954810635786528
Energy: 0.8426251526429613
Energy: 0.8449170716609794
Energy: 0.8339578522681984
Energy: 0.839095782261409
Energy: 0.848118247982823
Energy: 0.8837869165697098
Energy: 0.8424072266809981
Energy: 0.8465599497149001
Energy: 0.8370150287115052
Energy: 0.8379031274113422
Energy: 0.8482491342218521
Energy: 0.8536556209607966
Energy: 0.8361845421596895
Energy: 0.8365956190537926
Energy: 0.8541630153821138
Energy: 0.8370402992250032
Energy: 0.8480722741504103
Energy: 0.8727367445897096
Energy: 0.8418558711881075
Energy: 0.8423679694343321
Energy: 0.8563077905610906
Energy: 0.8358927376474925
Energy: 0.8423758487118861
Energy: 0.8679703226835249
Energy: 0.8378993589054263
Energy: 0.8440577071417524
Energy: 0.8576698564984745
Energy: 0.835017975925277
Energy: 0.8547311317005898
Energy: 0.8801952086692965
Energy: 0.8393573526819673
Energy: 0.8429516598802698
Energy: 0.8575364048875637
Energy: 0.8364361295834942
Energy: 0.8534816034136768
Energy: 0.8497733248976282
Energy: 0.8522191035182756
Energy: 0.8494447353191752
Energy: 0.840044904618088
Energy: 0.8345903732130111
Energy: 0.847436498439879
Energy: 0.8388626461596923
Energy: 0.8546677676192841
Energy: 0.8513430754131761
Energy: 0.8368697421774117
Energy: 0.8435949311752474
Energy: 0.8495835146270286
Energy: 0.8568390049791784
Energy: 0.8299630650147367
Energy: 0.8315694846196515
Energy: 0.8256808421682841
Energy: 0.8190228744175301
Energy: 0.8408427617995547
Energy: 0.8961261755230377
Energy: 0.8270651500071342
Energy: 0.8412354264358656
Energy: 0.8413686165973281
Energy: 0.819409048173543
Energy: 0.8489177509520536
Energy: 0.8571418327554923
Energy: 0.838133147857314
Energy: 0.8524711855643872
Energy: 0.8330422680041077
Energy: 0.8421612227936436
Energy: 0.8454910138525347
Energy: 0.8590590588929218
Energy: 0.8316645878061003
Energy: 0.8457516829318376
Energy: 0.8337768033183152
Energy: 0.826553546839243
Energy: 0.8507205866117639
Energy: 0.8964456423920664
Energy: 0.8459453841067384
Energy: 0.8470342982141158
Energy: 0.8401826093129396
Energy: 0.8356076658933812
Energy: 0.8481886606001993
Energy: 0.8952963405101373
Energy: 0.8414571524360425
Energy: 0.8421895781288345
Energy: 0.8340968963699628
Energy: 0.8400913953801671
Energy: 0.850032465627623
Energy: 0.8593866658823001
Energy: 0.8378817727009353
Energy: 0.8475599339639445
Energy: 0.8161050180144674
Energy: 0.8382810971484841
Energy: 0.8469341480939153

minimum gb energy = 0.811586019130135 eV
minimum distance =  2.3275565198412 Angstroms
sigma value = 33


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

Energy: 0.015446974751691303
Energy: 0.8374685442788098
Energy: 0.016105499117187422
Energy: 0.01719347007325226
Energy: 0.8392542640171543
Energy: 0.016017530688601806
Energy: 0.4120378648522688
Energy: 0.10532446039076586
Energy: 0.10380235755199045
Energy: 0.10623274463606398
Energy: 0.10562585933072503
Energy: 0.10359233602726348
Energy: 1.1478373591359186
Energy: 0.8385196525442258
Energy: 0.8371296326765192
Energy: 0.8402441258845416
Energy: 0.8396689086618657
Energy: 0.8369069488506451
Energy: 0.01651317811677513
Energy: 0.10532446039162822
Energy: 0.10380235755199045
Energy: 0.10623274463606398
Energy: 0.1056258593311439
Energy: 0.10359233602856936

minimum gb energy = 0.015446974751691303 eV
minimum distance =  2.52169819802672 Angstroms
sigma value = 1