Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.075408697128296
cohesive_energy=2.975284478183433
mass=107.8682
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=[1.1792436592164838e-19, 1.7070711382279797e-19, 2.1251110655712598e-19, 2.4773656203224998e-19, 2.78040130887726e-19, 3.0450648670477197e-19, 3.27887050324734e-19, 3.48611205085524e-19, 3.67033032023256e-19, 3.83421696812442e-19, 3.98102441309784e-19, 4.1124189188521797e-19, 4.2288330730786196e-19, 4.3314524864863196e-19, 4.42127050858836e-19, 4.49913629300076e-19, 4.56589899333954e-19, 4.622183458491959e-19, 4.66847034144822e-19, 4.70528836049754e-19, 4.733086125097439e-19, 4.75228020117276e-19, 4.76322306758298e-19, 4.7665555949817e-19, 4.762405957499639e-19, 4.748915630241359e-19, 4.724290175376779e-19, 4.68639869798268e-19, 4.63264567191198e-19, 4.55990685272838e-19, 4.464849713033159e-19, 4.342635679391639e-19, 4.1873366982580196e-19, 3.9918391053773397e-19, 3.74728286396358e-19, 3.44341404355914e-19, 3.06533240146782e-19, 2.59490129819274e-19, 2.0092416514003798e-19, 1.277699015552418e-19, 3.5900933144018397e-20, -7.97858328905856e-20, -2.2704124645087195e-19, -4.1634802881777596e-19, -6.62503242512268e-19, -9.86958430486974e-19, -1.4224188243717359e-18, -2.0190629941668e-18, -2.8582510715233197e-18, -4.07763566412804e-18, -5.926050825007499e-18, -8.88797874651696e-18, -1.400973690125646e-17, -2.3913287350766998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.009028255213369555
Energy: 0.009511593610688167
Energy: 0.009901872785470415
Energy: 0.009281003879843432
Energy: 0.5912362246105807
Energy: 0.009145810576005017
Energy: 0.009511593610921212
Energy: 0.11733615453119467
Energy: 0.11723009214139449
Energy: 0.11738365635124741
Energy: 0.11678538934964369
Energy: 0.11712896266045358
Energy: 0.009901872785470415
Energy: 0.11723009214139449
Energy: 0.11728432631064087
Energy: 0.009345429926812247
Energy: 0.11690610068892875
Energy: 0.11741635222168523
Energy: 0.009281003879843432
Energy: 0.11738365635149416
Energy: 0.009345429926812247
Energy: 0.009312278667881887
Energy: 0.11733837105383817
Energy: 0.009157540541202982
Energy: 0.5912362246110604
Energy: 0.1167853893491502
Energy: 0.1169061006891755
Energy: 0.11733837105359143
Energy: 0.11676217458241038
Energy: 0.11714075325814406
Energy: 0.009145810575758265
Energy: 0.11712896266045358
Energy: 0.11741635222168523
Energy: 0.009157540541436027
Energy: 0.11714075325789731
Energy: 0.009135156276286397

minimum gb energy = 0.009028255213369555 eV
minimum distance =  2.88054239152054 Angstroms
sigma value = 1


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

Energy: 1.6523479152816676
Energy: 0.9371639827894861
Energy: 0.9531638847249391
Energy: 0.8823356019591112
Energy: 0.9172269355664994
Energy: 0.8858268072957366
Energy: 1.4942495571825225
Energy: 0.8869189205402588
Energy: 0.8835068975938914
Energy: 0.8814254630953543
Energy: 0.8893277682615615
Energy: 0.8824399018033363
Energy: 0.817877166358531
Energy: 0.8888997211180342
Energy: 0.8865600197185018
Energy: 0.9270652218692075
Energy: 0.8947819857333403
Energy: 0.8933336445909491
Energy: 1.5899571442065359
Energy: 0.8897720375453513
Energy: 0.913222226782274
Energy: 0.8897219730458575
Energy: 0.8812339316461412
Energy: 0.9050774525421483
Energy: 1.4545349177506235
Energy: 0.8970039663253043
Energy: 0.8945035814558878
Energy: 0.8805571491377561
Energy: 0.8865075651423641
Energy: 0.893246013828162
Energy: 1.431564344707111
Energy: 0.8943306662680683
Energy: 0.9175076298378565
Energy: 0.9157403142886773
Energy: 0.8832041542459188
Energy: 0.9167470114480253
Energy: 1.43158969519062
Energy: 0.919014968177221
Energy: 0.9176718426158398
Energy: 0.9078749103452673
Energy: 0.8882056025345464
Energy: 0.9167082787166957
Energy: 1.3423147135347477
Energy: 0.9025815830063824
Energy: 0.9258243746994524
Energy: 0.821309597119025
Energy: 0.9073160241447524
Energy: 0.9176713293996334
Energy: 1.1652440693762982
Energy: 0.9146476857031521
Energy: 0.9096073752382134
Energy: 0.8834158524389878
Energy: 0.9165694476365769
Energy: 0.9089465261793785
Energy: 1.1630196212183288
Energy: 0.8843925275856647
Energy: 0.8922110218194909
Energy: 0.8879916060286803
Energy: 0.8808514901568024
Energy: 0.893294506926577
Energy: 1.0870130437386947
Energy: 0.9008891198045502
Energy: 0.8840771815588163
Energy: 0.9116674531446134
Energy: 0.9007060070027124
Energy: 0.8894892534587173
Energy: 0.9832972782870415
Energy: 0.8925168894730258
Energy: 0.893687492238358
Energy: 0.8886231597404186
Energy: 0.9081489708713167
Energy: 0.8863082554194475
Energy: 0.9833538579153045
Energy: 0.881317936249981
Energy: 0.8812519733455211
Energy: 0.8902768782529752
Energy: 0.8817337183094222
Energy: 0.883390536072454
Energy: 1.057911818237884
Energy: 0.8894624591040374
Energy: 0.8893994786839001
Energy: 0.9180768414892688
Energy: 0.8885904632758884
Energy: 0.8784800633622332
Energy: 1.0368496122810618
Energy: 0.880800638050443
Energy: 0.8828791917506399
Energy: 0.8906283442267326
Energy: 0.8807939967192477
Energy: 0.8925142927986814
Energy: 1.0370591532802114
Energy: 0.9189154862094819
Energy: 0.8453701668162521
Energy: 0.8933766869325704
Energy: 0.9281178456098612
Energy: 0.9079877358017292
Energy: 1.3454026303979638
Energy: 0.9076107552147311
Energy: 0.9149655330755014
Energy: 0.8887163293930005
Energy: 0.9059045257631255
Energy: 0.9073309428949669
Energy: 1.3068195333384554
Energy: 0.9191598409581236
Energy: 0.9203409538421328
Energy: 0.8465908180616084
Energy: 0.907880343128991
Energy: 0.9277211111916006
Energy: 1.306921135633114
Energy: 0.9208563243810883
Energy: 0.9278779278807093
Energy: 0.9083070417412602
Energy: 0.9192280734723844
Energy: 0.9294183958054876
Energy: 1.3485733585970197
Energy: 0.9195473096367378
Energy: 0.9292113404142588
Energy: 0.9087127115443351
Energy: 0.909412939875539
Energy: 0.9294871705708417
Energy: 1.4904686434101402
Energy: 0.8897437552664584
Energy: 0.9028128873349843
Energy: 0.9017300606874393
Energy: 0.8935036793217956
Energy: 0.9021431390571608
Energy: 1.3151031173795205
Energy: 0.8900052144486733
Energy: 0.907980670981986
Energy: 0.9251182687429839
Energy: 0.8934838292028703
Energy: 0.9196520351558372
Energy: 1.494279559267065
Energy: 0.8867447607359042
Energy: 0.8829103620080831
Energy: 0.857401295457223
Energy: 0.8897394284020357
Energy: 0.882206284541468

minimum gb energy = 0.817877166358531 eV
minimum distance =  2.69641490245593 Angstroms
sigma value = 33


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

Energy: 1.804951500151283
Energy: 1.029368446390851
Energy: 0.9816922899535256
Energy: 0.9799753898193447
Energy: 0.9899237023892232
Energy: 1.0297412388265301
Energy: 1.2921866879000001
Energy: 0.9653100607043327
Energy: 0.9714040006952982
Energy: 0.9703257942654855
Energy: 0.9964447889859823
Energy: 0.9755599831534961
Energy: 1.3555632446660657
Energy: 0.9779490418595146
Energy: 0.9751016827841933
Energy: 0.9702142086824119
Energy: 0.97612270979475
Energy: 0.9762869263504861
Energy: 1.4705096083549423
Energy: 0.996419111640031
Energy: 0.990207715319222
Energy: 0.9835041343514123
Energy: 0.9977167331431931
Energy: 0.9617054289875802
Energy: 1.3576972683348592
Energy: 0.9664112655036445
Energy: 0.9751783668445371
Energy: 0.9646853152848359
Energy: 0.9758203316482253
Energy: 0.9765563412617643
Energy: 1.4713864235551266
Energy: 0.9933971351023916
Energy: 0.9794526298970696
Energy: 0.9776834750275313
Energy: 0.9765145849527016
Energy: 0.9812503348148984
Energy: 1.4709118092012725
Energy: 0.98372104038006
Energy: 0.9797510517524554
Energy: 0.9785116495381008
Energy: 0.9654921592348401
Energy: 0.9827284804752995
Energy: 1.3439779266872929
Energy: 0.9737742112187174
Energy: 0.97280055513213
Energy: 0.9763081285837663
Energy: 0.9714540345310023
Energy: 0.9728723850269025
Energy: 1.1409131722932673
Energy: 0.9655842872510232
Energy: 0.9802558297598979
Energy: 0.9919585775985268
Energy: 0.9429312308534397
Energy: 0.9803974699777287
Energy: 1.143100843376054
Energy: 0.9742887425474911
Energy: 0.9749808259815635
Energy: 0.9778881769611214
Energy: 0.9695279928752389
Energy: 0.9761317798479178
Energy: 1.1082217794275784
Energy: 0.9684600370280723
Energy: 0.9685482062250572
Energy: 0.9714647872927803
Energy: 0.9684998428925045
Energy: 0.9683410088228591
Energy: 0.9964154560367524
Energy: 0.9723638623634945
Energy: 0.9760671981320621
Energy: 0.9966087723816173
Energy: 0.9742401499522411
Energy: 0.9745606106227144
Energy: 0.9965797076151303
Energy: 0.9751814995857258
Energy: 0.9758875403599444
Energy: 0.9902922529425735
Energy: 0.972404065734012
Energy: 0.9773133187378321
Energy: 1.0093096376594093
Energy: 0.960215543576364
Energy: 0.961775169360627
Energy: 0.9964177045946536
Energy: 0.962877402854119
Energy: 0.9619076545221905
Energy: 1.143589608347775
Energy: 0.9738011887681614
Energy: 0.9755427963905791
Energy: 0.9774186961514694
Energy: 0.970101317272886
Energy: 0.9767272369900928
Energy: 1.1417203050676021
Energy: 0.9804844546044627
Energy: 0.9807495161246977
Energy: 0.976547051703491
Energy: 0.9777546777791897
Energy: 0.9786636478171761
Energy: 1.3448067664477692
Energy: 0.9817086897579917
Energy: 0.9834615988015243
Energy: 0.976464557002063
Energy: 0.9806693030792668
Energy: 0.9790476828442309
Energy: 1.29238444172692
Energy: 0.9668703610639606
Energy: 0.9822902279461184
Energy: 0.9441969042426667
Energy: 0.9790396756467808
Energy: 0.9741812033513534
Energy: 1.2908730995739335
Energy: 0.9939134340322769
Energy: 0.9791212449553962
Energy: 0.9423260637207223
Energy: 0.9909423285082293
Energy: 0.9815873411547493
Energy: 1.3575125807677353
Energy: 0.9481154295021116
Energy: 0.9757796274734185
Energy: 0.9485963448759823
Energy: 0.9778857844589542
Energy: 0.9759333051724037
Energy: 1.6464023487939063
Energy: 0.9831406572503993
Energy: 0.9683574114940886
Energy: 0.9429997159035366
Energy: 0.9865560559595737
Energy: 0.9686179696112982
Energy: 1.291998649646072
Energy: 0.9775381160332625
Energy: 0.9709434451526396
Energy: 0.9741658300375537
Energy: 0.9993577819705073
Energy: 0.9761407759085201
Energy: 1.3585525158713023
Energy: 0.9766176124301726
Energy: 0.9762380532114414
Energy: 0.968573223024756
Energy: 0.9765533353015159
Energy: 0.9761495600503444
Energy: 1.4750487272660562
Energy: 0.9889074766251481
Energy: 0.9894197611402806
Energy: 0.9614019324434082
Energy: 1.0096939233381221
Energy: 0.9844674661171543
Energy: 1.3595215389531379
Energy: 0.9510205383105634
Energy: 0.9770111408248766
Energy: 0.9664042422528504
Energy: 0.9492998182672004
Energy: 0.9757330664284943
Energy: 1.4759209071256938
Energy: 0.9951896896426439
Energy: 0.9768121829832854
Energy: 0.9756657854272223
Energy: 0.9936348269936468
Energy: 0.9796384439165742
Energy: 1.4715143296214956
Energy: 0.9670008248474785
Energy: 0.9829052375316639
Energy: 0.9812336118813794
Energy: 0.9661837515558745
Energy: 0.9788009679244342
Energy: 1.3584571115631612
Energy: 0.968985718120154
Energy: 0.9738149393188368
Energy: 0.9787837934478435
Energy: 0.943606020717938
Energy: 0.9826966741450539
Energy: 1.1422540132328283
Energy: 0.9705385488073921
Energy: 0.9745631230804433
Energy: 0.9781647534972039
Energy: 0.9448157066330579
Energy: 0.98194341115265
Energy: 1.142163465302464
Energy: 0.9723661112847012
Energy: 0.975073387073198
Energy: 0.9782616729689836
Energy: 0.9667630578651415
Energy: 0.9765349493205193
Energy: 1.2129806791301134
Energy: 0.9420643361218235
Energy: 0.9446692552867965
Energy: 0.9843687976788706
Energy: 0.9668201895983334
Energy: 0.9571219479067496
Energy: 0.996454987208364
Energy: 0.9719689180619997
Energy: 0.9704745918785849
Energy: 0.9968347880136812
Energy: 0.9730994282681745
Energy: 0.9733036200463717
Energy: 0.9969970012715459
Energy: 0.974633405371572
Energy: 0.9756506016971221
Energy: 0.9963170882060756
Energy: 0.9720329613192699
Energy: 0.9776320255164289
Energy: 0.9964602974322669
Energy: 0.9618804938612249
Energy: 0.9614133199897575
Energy: 0.9965777843639962
Energy: 0.9425181116293596
Energy: 0.9427280992425479
Energy: 1.1411520748771498
Energy: 0.9748045591278385
Energy: 0.9752692709020175
Energy: 0.9647821729493918
Energy: 0.9712939558358205
Energy: 0.9767878840566625
Energy: 1.1402808893731244
Energy: 0.9793946399551134
Energy: 0.9794232784658458
Energy: 0.9949557871799095
Energy: 0.9767525738884106
Energy: 0.9778181470674774
Energy: 1.141228773136849
Energy: 0.9802966191785644
Energy: 0.9835096441897077
Energy: 0.991109302021175
Energy: 0.9802918007461523
Energy: 0.9825848052652759
Energy: 1.2905660959441794
Energy: 0.979056405073516
Energy: 0.9813664814570655
Energy: 0.9419928193251651
Energy: 0.9804164228493759
Energy: 0.9809157322207998
Energy: 1.2914323551241025
Energy: 0.9785304081574684
Energy: 0.9851353061711405
Energy: 0.9454253370324539
Energy: 0.9779091241909081
Energy: 0.9743608450147727
Energy: 1.3571740023846977
Energy: 0.9942087217815211
Energy: 0.9762546530188824
Energy: 0.9630339964771085
Energy: 0.9913130581034152
Energy: 0.9753663507772904
Energy: 1.6476068026424506
Energy: 0.9862739797668746
Energy: 0.9568668496428014
Energy: 0.970894105068749
Energy: 0.9852607806508893
Energy: 0.9408594262986716

minimum gb energy = 0.9408594262986716 eV
minimum distance =  2.71376110788192 Angstroms
sigma value = 51


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

Energy: 1.7009888314200379
Energy: 1.0088212952689672
Energy: 0.9888738571431359
Energy: 0.9513676159028885
Energy: 1.0127925625010874
Energy: 0.9516374605631989
Energy: 1.3830765937240197
Energy: 0.9971669301270408
Energy: 0.974190500213775
Energy: 0.9313726494146781
Energy: 0.9936271842883379
Energy: 0.928358236914733
Energy: 1.5018567747302376
Energy: 0.9945534702855046
Energy: 0.9686842673806655
Energy: 0.9292775464526017
Energy: 1.006423627329793
Energy: 0.9801548448027259
Energy: 1.5020965784321896
Energy: 1.0052154144799346
Energy: 1.0025338664772419
Energy: 0.9268155680015052
Energy: 1.0049074133187597
Energy: 0.9505947696384708
Energy: 1.2879276267090303
Energy: 0.9295808916419622
Energy: 0.9303442257386899
Energy: 0.9305045871207264
Energy: 0.9310123732188456
Energy: 0.9306789312210674
Energy: 1.2879168981030982
Energy: 0.9294657785405135
Energy: 0.9295838747391045
Energy: 0.9301363126362447
Energy: 0.9310410379886062
Energy: 0.9296707972658987
Energy: 1.2878764902458735
Energy: 0.9311999447063535
Energy: 0.9305971640641307
Energy: 0.9308762876681943
Energy: 0.9299998460273915
Energy: 0.9356953109838894
Energy: 1.219148454491542
Energy: 0.8896500524829404
Energy: 0.9172692809265983
Energy: 1.0065585240829846
Energy: 0.8899149616323834
Energy: 0.9751166947072026
Energy: 1.0353643655091238
Energy: 0.9877700243727552
Energy: 0.9966174368886923
Energy: 1.0059087260305875
Energy: 0.9884011539963454
Energy: 0.9692159796846637
Energy: 1.035272752917557
Energy: 0.9279275330775135
Energy: 0.9276790503083655
Energy: 0.996830706186267
Energy: 0.9316081150927398
Energy: 0.9750620530158101
Energy: 1.03521287527611
Energy: 0.947002765002932
Energy: 0.9452393292630283
Energy: 0.9941554334443727
Energy: 0.945520769912618
Energy: 0.9446046403554895
Energy: 1.1067451029101005
Energy: 0.9282661359229766
Energy: 0.927818073553125
Energy: 0.9983911343377119
Energy: 0.9251354807908055
Energy: 0.9742976491860338
Energy: 1.1049248815804609
Energy: 0.9696432246021804
Energy: 0.9778884440956027
Energy: 0.9937902044591973
Energy: 1.0194420982924814
Energy: 0.9717005876941142
Energy: 1.1054516435652517
Energy: 0.926560119182066
Energy: 0.925913361970345
Energy: 0.9851033789430079
Energy: 0.9305857763538311
Energy: 0.9537486680580288
Energy: 1.3820435903430788
Energy: 0.9795592549031343
Energy: 0.9717960973436245
Energy: 0.8992202181798299
Energy: 0.9793291903594923
Energy: 0.9716668838443767
Energy: 1.3819700025032042
Energy: 0.9792839775755483
Energy: 0.9723711043994857
Energy: 0.8983777652890811
Energy: 0.9979468972962405
Energy: 0.8987443342542009
Energy: 0.9532404643331348
Energy: 0.9936281245850617
Energy: 0.9694955711758495
Energy: 0.9297385318432055
Energy: 0.9968454066241175
Energy: 0.9729256214379345
Energy: 1.62149624451805
Energy: 0.9865193755184251
Energy: 0.9214561032879459
Energy: 0.8885613191291813
Energy: 0.9974643441641784
Energy: 0.9198854583082865

minimum gb energy = 0.8885613191291813 eV
minimum distance =  2.69928004692363 Angstroms
sigma value = 19


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

Energy: 1.4514959698623797
Energy: 1.0120226932031045
Energy: 1.0114734626724788
Energy: 1.0866496926090907
Energy: 0.970553465078033
Energy: 1.0296011619425198
Energy: 1.2953822720436645
Energy: 0.986019522005654
Energy: 0.9860848259576082
Energy: 1.0191974896637417
Energy: 0.9861866989973418
Energy: 0.9861135842903005
Energy: 1.508197642217798
Energy: 0.9860941454160453
Energy: 0.9863799773233474
Energy: 1.0190252764551821
Energy: 0.9860081907656251
Energy: 0.9870436403477582
Energy: 1.2047704509832597
Energy: 0.985798626359965
Energy: 0.9859094331210679
Energy: 1.0163144372838508
Energy: 0.9858348958507342
Energy: 0.9861068178458141
Energy: 1.2111538341258807
Energy: 0.9858679879825839
Energy: 1.0186878928667575
Energy: 1.0200823557837102
Energy: 0.9856845389730657
Energy: 1.018466398771484
Energy: 1.2108758421438557
Energy: 0.9612691047962971
Energy: 1.0179887793771945
Energy: 1.0216340084420756
Energy: 0.9609724881541322
Energy: 1.0186976563056196
Energy: 1.2111731726715993
Energy: 1.0191853093869117
Energy: 1.01837299215504
Energy: 1.0213613724008037
Energy: 0.970158800523987
Energy: 1.0185745700817848
Energy: 1.1043782703622531
Energy: 0.9849756479449109
Energy: 0.990935036151334
Energy: 0.9858400692451541
Energy: 0.9850151347197499
Energy: 0.9616202747648708
Energy: 0.9859538214776931
Energy: 0.9793944009773679
Energy: 0.9621312715649297
Energy: 0.9859595965793222
Energy: 0.9763272223469207
Energy: 0.9613602100943248
Energy: 0.9858013955436528
Energy: 1.0195406225052863
Energy: 0.9859621789741809
Energy: 0.9859624388210065
Energy: 1.0301188269399397
Energy: 0.986100524568215
Energy: 0.9852787497025073
Energy: 1.017502040545524
Energy: 1.0183484907143783
Energy: 0.9856328856225689
Energy: 1.0168474275992923
Energy: 0.9861242505821305
Energy: 1.1046104584473688
Energy: 1.029912127880136
Energy: 1.0183320516621188
Energy: 0.9861634742845571
Energy: 1.0185796706953034
Energy: 0.986013045460945
Energy: 0.9612424872436364
Energy: 1.019533719806389
Energy: 1.019194167088771
Energy: 0.960903738492446
Energy: 1.019098962126793
Energy: 1.019074373270938
Energy: 1.2120983553419187
Energy: 1.0192532791308166
Energy: 1.0189593202416563
Energy: 0.9870838937592283
Energy: 1.0211688536322383
Energy: 1.018653765195638
Energy: 1.4446390953634014
Energy: 0.986045420168781
Energy: 0.9863145152640542
Energy: 0.9774084439100641
Energy: 0.9859430588083332
Energy: 0.9614274831690842
Energy: 1.4427274211465466
Energy: 0.9864210179619461
Energy: 0.9618214655515546
Energy: 0.9837921193526311
Energy: 0.9859480018004266
Energy: 0.9763983966720381
Energy: 1.2115323745639803
Energy: 0.9862371532464508
Energy: 0.9861621432055926
Energy: 1.0199223880826565
Energy: 0.9856656833805959
Energy: 0.985980065837915
Energy: 1.2050608754802101
Energy: 0.9862523301333875
Energy: 0.986063465915864
Energy: 1.0163338828385915
Energy: 0.9860712307405887
Energy: 0.9875547320378469
Energy: 1.2045360535189018
Energy: 0.9861885112626383
Energy: 0.987361323510869
Energy: 1.0166464682499319
Energy: 0.9862541918535513
Energy: 0.9861976044944032
Energy: 1.2112937682471403
Energy: 0.9611344096524068
Energy: 1.0186062611148003
Energy: 1.020013543289934
Energy: 0.9609906166908042
Energy: 1.0181573089791462
Energy: 1.209775827443007
Energy: 0.9863725291830261
Energy: 1.0194307068661428
Energy: 1.019805038597051
Energy: 0.9858592123202848
Energy: 1.0189926037830848
Energy: 1.2107498830629
Energy: 1.0187539123194156
Energy: 1.0184913121232975
Energy: 0.985625918872333
Energy: 0.9701739345037876
Energy: 1.018602249869234
Energy: 1.1045046551128552
Energy: 0.9842909831716479
Energy: 0.9841042960958397
Energy: 0.9863666361363713
Energy: 0.9857475421149313
Energy: 0.9751733219629816
Energy: 0.9860161812108698
Energy: 0.9865087086966526
Energy: 0.9861020118238011
Energy: 0.9861608015795794
Energy: 1.0154264751036748
Energy: 0.9861683850753193
Energy: 0.9861863267762869
Energy: 1.0188327856389514
Energy: 0.986139097724911
Energy: 0.9861728649686466
Energy: 1.0181985464333496
Energy: 0.9863746349997661
Energy: 1.1057216801359024
Energy: 1.0169225085376745
Energy: 1.0174162979657575
Energy: 0.9860838515443591
Energy: 1.0164860810719252
Energy: 0.9857283345609055
Energy: 1.2109626863582001
Energy: 1.0193006714124677
Energy: 1.018634723995513
Energy: 0.9858216366132823
Energy: 1.0184464806374351
Energy: 1.0185835569876942
Energy: 0.9609630707137191
Energy: 1.0195294272360942
Energy: 1.0189799797355978
Energy: 0.961003760430528
Energy: 1.0197391659630324
Energy: 1.0176369677604749
Energy: 1.1050309453325335
Energy: 1.0191794157754084
Energy: 1.0190624693421195
Energy: 0.9703121806158299
Energy: 1.0200368007419462
Energy: 1.0185761871336225
Energy: 1.4421698819547042
Energy: 0.9698477194941441
Energy: 0.9616038239837134
Energy: 0.983756237867526
Energy: 0.9858397776411646
Energy: 0.9612356081413461

minimum gb energy = 0.960903738492446 eV
minimum distance =  2.69503536956938 Angstroms
sigma value = 27


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

Energy: 1.2005845461325768
Energy: 0.7949140175728117
Energy: 0.795869613020592
Energy: 0.9022755444595526
Energy: 0.8870157200697518
Energy: 0.7956693624592351
Energy: 1.0048648472420416
Energy: 0.8354381136797524
Energy: 0.8354761295990555
Energy: 0.8677674329312304
Energy: 0.8874187263082355
Energy: 0.836177443452584
Energy: 1.0589879721629933
Energy: 0.8866848566464354
Energy: 0.8863556553415879
Energy: 0.835565411148294
Energy: 0.8863206291346247
Energy: 0.8872694445978346
Energy: 1.004063767709029
Energy: 0.8356618133627062
Energy: 0.8355042426475808
Energy: 0.836168633574408
Energy: 0.8356944485082808
Energy: 0.8351083351478733
Energy: 1.144153622661542
Energy: 0.8533065972869144
Energy: 0.8357342762281194
Energy: 0.8359966186831785
Energy: 0.8536737210359374
Energy: 0.8356180459602948
Energy: 0.9784955962031406
Energy: 0.9048595234537408
Energy: 0.9049719397369819
Energy: 0.978235095717185
Energy: 0.9059307774367412
Energy: 0.7942344919217764
Energy: 0.9789565328126196
Energy: 0.8669982157980699
Energy: 0.8361577539787778
Energy: 0.9794105458387277
Energy: 0.8672231446476768
Energy: 0.8356324049625063
Energy: 1.0267716959645317
Energy: 0.8634034762403129
Energy: 0.8641171241590871
Energy: 1.026882312858197
Energy: 0.8640610198526723
Energy: 0.8351627648982347
Energy: 1.0589880393280002
Energy: 0.8349821696495131
Energy: 0.8699276924564221
Energy: 0.8871824972061838
Energy: 0.8345972044460703
Energy: 0.8702884605281037
Energy: 0.9066232108705938
Energy: 0.8726872572381688
Energy: 0.8864814883714786
Energy: 0.8878767244169781
Energy: 0.8728209684702092
Energy: 0.8872473190024921
Energy: 1.0588484500008695
Energy: 0.9200194707673877
Energy: 0.9207900186832749
Energy: 0.886887098032468
Energy: 0.9224170922906445
Energy: 0.8711433774306803
Energy: 1.0587882540231583
Energy: 0.8356920089613966
Energy: 0.835243045069782
Energy: 0.8677721107379077
Energy: 0.887318313453686
Energy: 0.835917323180047

minimum gb energy = 0.7942344919217764 eV
minimum distance =  2.727664461943 Angstroms
sigma value = 9


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

Energy: 0.7636467504544361
Energy: 0.799867095991749
Energy: 0.7983121083828122
Energy: 0.7960964957550106
Energy: 0.8136260507715215
Energy: 0.7979462835747254
Energy: 0.7984851235627216
Energy: 0.7677829972882183
Energy: 0.7745103198129734
Energy: 0.775839366907952
Energy: 0.7837559894767484
Energy: 0.7788021922383842
Energy: 0.8824346351859582
Energy: 0.7661707333648297
Energy: 0.7707162321417856
Energy: 0.8118095090349746
Energy: 0.8011381995302269
Energy: 0.797608913774379
Energy: 0.8821739055399687
Energy: 0.7704630613214855
Energy: 0.7735943340332714
Energy: 0.794941232681898
Energy: 0.772435398443668
Energy: 0.7673853055378422
Energy: 0.8815762502308834
Energy: 0.7663933113722404
Energy: 0.7626164791818101
Energy: 0.8040929916012866
Energy: 0.7968568381987922
Energy: 0.7925600206080532
Energy: 0.8446545882704206
Energy: 0.7680631356594723
Energy: 0.7614379579036702
Energy: 0.8455472567632977
Energy: 0.7674812613308113
Energy: 0.7614573977658038
Energy: 0.8459191176408892
Energy: 0.7722349346767133
Energy: 0.7717014864043893
Energy: 0.8468537901394706
Energy: 0.7706369341363347
Energy: 0.766879283463804
Energy: 0.8619999992327269
Energy: 0.7743217573160209
Energy: 0.7671373022466758
Energy: 0.8611593061422523
Energy: 0.7933718001937984
Energy: 0.7700880239074334
Energy: 0.9995158809651218
Energy: 0.7673364633362177
Energy: 0.7701201322336544
Energy: 0.7925222432073481
Energy: 0.7829290748430521
Energy: 0.7668026841867452
Energy: 0.7983967005023569
Energy: 0.7704812289833982
Energy: 0.7662163732832047
Energy: 0.7644894563466454
Energy: 0.7727327584872441
Energy: 0.7670016210579078
Energy: 0.7984479739557342
Energy: 0.7674294906961157
Energy: 0.7670897669014947
Energy: 0.8023976945385942
Energy: 0.8198943874976234
Energy: 0.7894133643235609
Energy: 0.8385192268640451
Energy: 0.8147919766847933
Energy: 0.7872755741822368
Energy: 0.7847014045824249
Energy: 0.8088390070793041
Energy: 0.7963809749178835
Energy: 1.0847313037796391
Energy: 0.8131276831532148
Energy: 0.791689606807875
Energy: 0.7792823248395471
Energy: 0.8132482685366772
Energy: 0.783696443075379
Energy: 0.9992577468378325
Energy: 0.789108751668429
Energy: 0.7869294093326319
Energy: 0.7849060649591839
Energy: 0.8121696492073764
Energy: 0.7964784828438084
Energy: 0.8291709031458645
Energy: 0.7668924969643804
Energy: 0.7666342727765528
Energy: 0.8118478854566983
Energy: 0.7669456508557692
Energy: 0.7796456460113627
Energy: 0.8292339176688968
Energy: 0.7733743945185213
Energy: 0.7734790897433678
Energy: 0.8290028563249496
Energy: 0.7948926553420845
Energy: 0.7937355362309704
Energy: 0.828843279336987
Energy: 0.7655815595599895
Energy: 0.7825604861455013
Energy: 0.8110596678197307
Energy: 0.7832934637532963
Energy: 0.772352442510944
Energy: 0.8983783511073692
Energy: 0.7910047867759243
Energy: 0.7821259964261044
Energy: 0.7850238583744997
Energy: 0.7666166386094071
Energy: 0.7843423595935166
Energy: 0.8829679974493825
Energy: 0.7735188231917202
Energy: 0.775429099468125
Energy: 0.7938544004356968
Energy: 0.7732793590271256
Energy: 0.7737627442004283
Energy: 0.8816544820594638
Energy: 0.7716837777766029
Energy: 0.7717162985468944
Energy: 0.7880077864979913
Energy: 0.7876440152420106
Energy: 0.7708063814610722
Energy: 0.8826979886703732
Energy: 0.7892866450517956
Energy: 0.7835680784449063
Energy: 0.7955386301211347
Energy: 0.7927163020851554
Energy: 0.7745218152454969
Energy: 0.9266697298653018
Energy: 0.7889867660746825
Energy: 0.762303240782399
Energy: 0.7979870885257659
Energy: 0.7857090362234834
Energy: 0.7840145303249207
Energy: 0.9265530396532338
Energy: 0.7913236251160716
Energy: 0.783437346117861
Energy: 0.7981049835789016
Energy: 0.7831738177519907
Energy: 0.7615763900703048
Energy: 0.8823201369726251
Energy: 0.7671901896401769
Energy: 0.7922053640891545
Energy: 0.8122064619920442
Energy: 0.783645159441759
Energy: 0.7857100060758885
Energy: 1.101288205098816
Energy: 0.7742457904160814
Energy: 0.7935326152173143
Energy: 0.7747599473269139
Energy: 0.783625772229171
Energy: 0.7859658031309442
Energy: 0.8817781206307872
Energy: 0.7675562491883887
Energy: 0.7970236235910185
Energy: 0.7926362634451879
Energy: 0.7705177113339848
Energy: 0.7920104142963935
Energy: 0.815665560627557
Energy: 0.787440372481198
Energy: 0.7877664531774724
Energy: 0.8130664665959916
Energy: 0.7618926296185242
Energy: 0.7845519562286397
Energy: 0.8448192365400387
Energy: 0.7671273441224558
Energy: 0.7674655105503384
Energy: 0.8453460405731065
Energy: 0.7707219656948004
Energy: 0.7957687055560281
Energy: 0.8447827474153481
Energy: 0.7683425855584416
Energy: 0.7915006245946277
Energy: 0.8452834296246281
Energy: 0.8028748352729996
Energy: 0.766421923545441
Energy: 0.8358288497420832
Energy: 0.7749599510680333
Energy: 0.7680389782565289
Energy: 0.786988467413658
Energy: 0.7720582537506108
Energy: 0.7661409513049708
Energy: 0.7985005185105386
Energy: 0.766311287230751
Energy: 0.7667138100421974
Energy: 0.8020576240022081
Energy: 0.7720974271894545
Energy: 0.7666206313336311
Energy: 1.4238692263513226
Energy: 0.7760041181381144
Energy: 0.7706625243001747
Energy: 0.7622763178530728
Energy: 0.8138816821468446
Energy: 0.7671123296298696
Energy: 0.9995571370722196
Energy: 0.807800895599764
Energy: 0.7669995040562827
Energy: 0.7727633844226579
Energy: 0.8192556961071931
Energy: 0.7676101277285897
Energy: 0.8653627437722662
Energy: 0.7790076539279945
Energy: 0.7876404033304405
Energy: 0.7810688960801807
Energy: 0.8206295758395151
Energy: 0.7656840988372707
Energy: 0.8637295080234328
Energy: 0.7900012573985977
Energy: 0.787222745183809
Energy: 0.8024182280849497
Energy: 0.7884970390939571
Energy: 0.7922207945259614
Energy: 0.855738704559248
Energy: 0.7671905626687444
Energy: 0.7815436061608629
Energy: 0.7825496535244376
Energy: 0.7682795751217361
Energy: 0.7801180092419058
Energy: 0.8296427019566747
Energy: 0.7788610403281481
Energy: 0.7971830032335221
Energy: 0.8296026526928304
Energy: 0.7930080727493966
Energy: 0.7766983065357654
Energy: 0.8289093702257715
Energy: 0.7768276701886245
Energy: 0.7777929715910368
Energy: 0.8126201097553687
Energy: 0.7766805229480552
Energy: 0.7768442501538991
Energy: 0.8134028253187695
Energy: 0.7677263116196998
Energy: 0.7665549216769202
Energy: 0.81267549935815
Energy: 0.7658967666934946
Energy: 0.8003089977913528
Energy: 0.8815458747159942
Energy: 0.7777133677358768
Energy: 0.7773708813047923
Energy: 0.7831601082495949
Energy: 0.7770440041170885
Energy: 0.7776674777400777
Energy: 0.8794020549086856
Energy: 0.7710331732690274
Energy: 0.7715588012133032
Energy: 0.7878328466198751
Energy: 0.7721580796530504
Energy: 0.7743002646472776
Energy: 0.8831322131829697
Energy: 0.7715915520195504
Energy: 0.7727440516158495
Energy: 0.7946058960071957
Energy: 0.7886333236299212
Energy: 0.7774724630432363
Energy: 1.0614300374764214
Energy: 0.7731809060941387
Energy: 0.7872143447399693
Energy: 0.7978193737718414
Energy: 0.7826238367675529
Energy: 0.7614869975651305

minimum gb energy = 0.7614379579036702 eV
minimum distance =  2.67428693954155 Angstroms
sigma value = 57


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

Energy: 0.8616233732478633
Energy: 0.7306510976142808
Energy: 0.42873592595583676
Energy: 0.4362226569489187
Energy: 0.67716761441257
Energy: 0.7870741851566218
Energy: 0.7264281948392664
Energy: 0.6850883418787632
Energy: 0.6946802501386127
Energy: 0.6706759539663512
Energy: 0.6866445813274289
Energy: 0.691598105909531
Energy: 0.9218349480254732
Energy: 0.8979900222428482
Energy: 0.6922906065040024
Energy: 0.7079290939293666
Energy: 0.6951602032582065
Energy: 0.6922900337363714
Energy: 0.9231594879711396
Energy: 0.9254713814125797
Energy: 0.7245812825179847
Energy: 0.8990113420079406
Energy: 0.6880254776802663
Energy: 0.9031559045295491
Energy: 0.9220464930921457
Energy: 0.6158685679530846
Energy: 0.6125513585564585
Energy: 0.8995305396113544
Energy: 0.4294736132486717
Energy: 0.8972605038947897
Energy: 0.9350751876625142
Energy: 0.612803650477346
Energy: 0.6112139572136549
Energy: 0.8920050380020432
Energy: 0.43160410090215956
Energy: 0.4304331953211944
Energy: 0.7420908832197598
Energy: 0.8923174788757898
Energy: 0.8960650151584011
Energy: 0.8992502877919702
Energy: 0.9174308216429937
Energy: 0.8957300807873037
Energy: 0.911336585190916
Energy: 1.0605493177574734
Energy: 1.0673085818410992
Energy: 0.936692976188139
Energy: 1.056750695656789
Energy: 1.0202637605451048
Energy: 1.1226832991999498
Energy: 1.0310422313056498
Energy: 1.0622778575839158
Energy: 1.091705332606188
Energy: 1.0267696687865633
Energy: 1.0383915066633431
Energy: 0.4389613068488932
Energy: 1.046943237993906
Energy: 0.428218431063333
Energy: 0.43452717251845674
Energy: 0.8999545687659748
Energy: 0.43155336189500315
Energy: 0.43888112726753836
Energy: 1.0580868095626035
Energy: 1.0832276213218572
Energy: 0.4330842327348426
Energy: 1.0804237944973518
Energy: 0.43141879048638554
Energy: 0.9011764605793147
Energy: 1.0523279048201675
Energy: 0.9770439549202794
Energy: 1.0697086065077326
Energy: 1.071816872651521
Energy: 1.0300565953796936
Energy: 0.8988343314205207
Energy: 0.8993791082833151
Energy: 0.9413647431062743
Energy: 0.9399146722366382
Energy: 0.9094494505167466
Energy: 1.0590470254213944
Energy: 0.7525713509672902
Energy: 0.8983633882097269
Energy: 0.8961949301992828
Energy: 0.9009087195018214
Energy: 0.8923814592728858
Energy: 0.8918413205007127
Energy: 0.9480573872761126
Energy: 0.4300731316960328
Energy: 0.42790797823474475
Energy: 0.8970397149605769
Energy: 0.6148703719013996
Energy: 0.6130793823052454
Energy: 0.90470878469354
Energy: 0.8971915335192876
Energy: 0.9020091147755
Energy: 0.8983503042058011
Energy: 0.6129397030357339
Energy: 0.8910592649993776
Energy: 0.9044671908839556
Energy: 0.9038042418500722
Energy: 0.9046155920471528
Energy: 0.8966376652188227
Energy: 0.9241405838382653
Energy: 0.7004607365307687
Energy: 0.9207557983106894
Energy: 0.6857371743449376
Energy: 0.6879898077940269
Energy: 0.6953044980314568
Energy: 0.6954873361837712
Energy: 0.903423492396912
Energy: 0.727175724937428
Energy: 0.6842632626893261
Energy: 0.6863215007782907
Energy: 0.4324110510588907
Energy: 0.6687406448373907
Energy: 0.6903162448944867

minimum gb energy = 0.42790797823474475 eV
minimum distance =  2.68418149838217 Angstroms
sigma value = 11


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

Energy: 1.2901975906799912
Energy: 0.6062123379930995
Energy: 0.7746074993740502
Energy: 0.62092051089896
Energy: 0.786643236482378
Energy: 0.7732419591968367
Energy: 0.6388972619213275
Energy: 0.6149635714079963
Energy: 0.6138158436594449
Energy: 0.6087621511181163
Energy: 0.6096105488935158
Energy: 0.6090152740985009
Energy: 0.6258575656350237
Energy: 0.6068459097630383
Energy: 0.6071866707829047
Energy: 0.6080598354686685
Energy: 0.6064522111128702
Energy: 0.6069032100661335
Energy: 0.6353238734332554
Energy: 0.6097129700683006
Energy: 0.6069016239914329
Energy: 0.6081079706073399
Energy: 0.6099570220727536
Energy: 0.6078256960921796
Energy: 0.6229449968191499
Energy: 0.6916148037382142
Energy: 0.6935586116591063
Energy: 0.611860278931288
Energy: 0.6937198029813998
Energy: 0.6112065743356588
Energy: 0.6641291384403295
Energy: 0.6169174096694509
Energy: 0.6129506144398407
Energy: 0.6095435310096724
Energy: 0.6127725301752215
Energy: 0.6941695242809431
Energy: 0.6674753176014376
Energy: 0.607949177641919
Energy: 0.6076539955628268
Energy: 0.6104363448687147
Energy: 0.6075861659121979
Energy: 0.6070495641815046
Energy: 0.6402122897229675
Energy: 0.6053959596530609
Energy: 0.6068109468794936
Energy: 0.6090558837661496
Energy: 0.6096173864053939
Energy: 0.6165840990490592
Energy: 0.6666294701595791
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Energy: 0.608345421841481
Energy: 0.6094170439910235
Energy: 0.6069863039550847
Energy: 0.6064837260087874
Energy: 0.9101586971427769
Energy: 0.6079983419552152
Energy: 0.6083194014392573
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Energy: 0.6084251433012307
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Energy: 0.6917782434995208
Energy: 0.692057012222019
Energy: 0.6938618231540978
Energy: 0.6934470142391125
Energy: 0.6938837590123154
Energy: 0.6733649908216015
Energy: 0.6089806598948203
Energy: 0.6114514025516965
Energy: 0.6075732442632074
Energy: 0.6136817838267838
Energy: 0.6057030456587903
Energy: 0.7999899146584196
Energy: 0.6103545591076776
Energy: 0.6084699700781242
Energy: 0.6117190830851296
Energy: 0.6162703619282743
Energy: 0.606567345905338
Energy: 0.8000020960787062
Energy: 0.7747931969999712
Energy: 0.7749481593946106
Energy: 0.6939411383993579
Energy: 0.6939393031785004
Energy: 0.774396083381984
Energy: 0.8007628750748386
Energy: 0.6093642799482837
Energy: 0.6099711496291739
Energy: 0.6963781906799075
Energy: 0.6115021154476393
Energy: 0.6963779556768928
Energy: 0.9800527345479733
Energy: 0.6937313150818847
Energy: 0.7745433629514054
Energy: 0.6931934374581613
Energy: 0.6926213101833777
Energy: 0.7745122862337739
Energy: 1.0951282385399075
Energy: 0.6096853652910279
Energy: 0.6103994797298677
Energy: 0.6097029023090271
Energy: 0.6260066788306031
Energy: 0.6070110464676222
Energy: 1.272178474618369
Energy: 0.6946891791081174
Energy: 0.6939970023613343
Energy: 0.6068946438686154
Energy: 0.6949741581214214
Energy: 0.693808905970383
Energy: 0.9801593455556369
Energy: 0.6066008395509772
Energy: 0.6093264134774299
Energy: 0.6115061860790442
Energy: 0.6078055806610134
Energy: 0.6099305489395151
Energy: 0.878272076800301
Energy: 0.6278314593716376
Energy: 0.6264139318929222
Energy: 0.6067011034777011
Energy: 0.6080558338306031
Energy: 0.6172169102868567
Energy: 0.9796360749212275
Energy: 0.692654928097158
Energy: 0.693139519682021
Energy: 0.6956270090231452
Energy: 0.7721220806719318
Energy: 0.6934417903015029
Energy: 0.6266680716326831
Energy: 0.611246458693587
Energy: 0.6040151524581974
Energy: 0.6926401148710155
Energy: 0.6188253359265645
Energy: 0.775217949768129
Energy: 0.6272688880257501
Energy: 0.6945825633237672
Energy: 0.6953621800092278
Energy: 0.6059684603975617
Energy: 0.6103358116027983
Energy: 0.6958415325668573
Energy: 0.6283076686105059
Energy: 0.6079627723917946
Energy: 0.6099607243278492
Energy: 0.607404276773384
Energy: 0.6069781751724129
Energy: 0.6069584229054623
Energy: 0.7693891014062805
Energy: 0.6090130771691196
Energy: 0.6087007558252223
Energy: 0.605148578563875
Energy: 0.6087330820415459
Energy: 0.606547307699211
Energy: 0.6898259841787404
Energy: 0.6105341284805119
Energy: 0.6107414094039585
Energy: 0.6932255121229083
Energy: 0.612438117785385
Energy: 0.605455273990669

minimum gb energy = 0.6040151524581974 eV
minimum distance =  2.71340881322016 Angstroms
sigma value = 41


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

Energy: 1.4261664026362415
Energy: 0.6491147795924281
Energy: 0.6487558925818532
Energy: 1.1915359043457083
Energy: 0.885266523823356
Energy: 0.6735914319442163
Energy: 0.6999465868917705
Energy: 0.6485772011608064
Energy: 0.6477440333325472
Energy: 0.6530695066223071
Energy: 0.6488807562464745
Energy: 0.6482634444293925
Energy: 0.6717563301774901
Energy: 0.6494251213608605
Energy: 0.6494599587470358
Energy: 0.6484760420309749
Energy: 0.6484033007631923
Energy: 0.6498616581573513
Energy: 0.6717079470566938
Energy: 0.6515253320598778
Energy: 0.6498234683512085
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Energy: 0.674160479049037
Energy: 0.6683129398009892
Energy: 0.6591549643324511
Energy: 0.6522917641294589
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Energy: 0.6496710980752645
Energy: 0.7378621305820019
Energy: 0.652786018019892
Energy: 0.6518504771573269
Energy: 0.6550460650085005
Energy: 0.6514079936628165
Energy: 0.6545165250076029
Energy: 0.7376599266044923
Energy: 0.6520810690933239
Energy: 0.6505417145653979
Energy: 0.6535472636570965
Energy: 0.6469066408864952
Energy: 0.6504788857497893
Energy: 0.6976782621470007
Energy: 0.6474127023848701
Energy: 0.6465465888515028
Energy: 0.6492355516632422
Energy: 0.6458671351027261
Energy: 0.6863012884149957
Energy: 0.7351557397616697
Energy: 0.6500609842214984
Energy: 0.6486143753522303
Energy: 0.6523817116019885
Energy: 0.6514929825930879
Energy: 0.6499956997656385
Energy: 0.7383339889290746
Energy: 0.6496543359871674
Energy: 0.6509260745571049
Energy: 0.6520728214653647
Energy: 0.6524841650217956
Energy: 0.6499907602320046
Energy: 0.7375888885151247
Energy: 0.655636802268768
Energy: 0.6556708569990799
Energy: 0.6540250514136184
Energy: 0.6558067586285267
Energy: 0.656014156721643
Energy: 0.7388006040410099
Energy: 0.6467755802281286
Energy: 0.64599301429276
Energy: 0.6556260204466194
Energy: 0.6471217357463922
Energy: 0.6554214122815418
Energy: 0.6793603501375077
Energy: 0.6471527978450227
Energy: 0.6473474944663773
Energy: 0.6550703857521758
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Energy: 0.6477968144412658
Energy: 0.6816362887167411
Energy: 0.6483107734351683
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Energy: 0.679350904217671
Energy: 0.6494312948003674
Energy: 0.6496133716108549
Energy: 0.6474285496897142
Energy: 0.6798092680501472
Energy: 0.6499034880560767
Energy: 0.6764158602142889
Energy: 0.6507723144342167
Energy: 0.6496495972827167
Energy: 0.6525062984140012
Energy: 0.6493893440335166
Energy: 0.6484274600998576
Energy: 0.7801655133967227
Energy: 0.6659687325886517
Energy: 0.6478859108391208
Energy: 0.6554115948787337
Energy: 0.665959055688101
Energy: 0.6522050691202439
Energy: 0.6988541188505837
Energy: 0.6518034159141924
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Energy: 0.6522501079339392
Energy: 0.6477638912547439
Energy: 0.6726850938044264
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Energy: 0.6482349602013948
Energy: 0.653229965452162
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Energy: 0.6497010103394438
Energy: 0.6716842552279965
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Energy: 0.6500889721270533
Energy: 0.6485217842497076
Energy: 0.6486998845576631
Energy: 0.6492135090742456
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Energy: 0.6518496923057834
Energy: 0.6497692550353498
Energy: 0.645756367340052
Energy: 0.6534235076081353
Energy: 0.6481605170797682
Energy: 1.1655500763638091
Energy: 0.6841736624094922
Energy: 0.6848396234921692
Energy: 0.9096952717073417
Energy: 0.685015295287951
Energy: 0.6494495892759052
Energy: 0.7394681610021293
Energy: 0.6504885843427373
Energy: 0.650443414491522
Energy: 0.654010246058027
Energy: 0.6526229660504407
Energy: 0.6489518327140583
Energy: 0.6977377435186366
Energy: 0.6832090704285572
Energy: 0.6829926574056505
Energy: 0.6458695840283719
Energy: 0.651008001355108
Energy: 0.648266705978551
Energy: 0.7377801525479573
Energy: 0.6524295670876183
Energy: 0.6502182870324201
Energy: 0.6488289504300598
Energy: 0.6491485974367144
Energy: 0.6491463020154388
Energy: 0.7376711752084552
Energy: 0.6556475935886805
Energy: 0.6557056331317235
Energy: 0.6526750827944615
Energy: 0.6555019200982227
Energy: 0.6564836866209618
Energy: 0.7384382247565497
Energy: 0.6495888441190925
Energy: 0.6505007607607406
Energy: 0.6513301829224362
Energy: 0.6477650037053375
Energy: 0.6507584042405181
Energy: 0.738046209940973
Energy: 0.6446780832940947
Energy: 0.6653187226359569
Energy: 0.654931638126216
Energy: 0.6476868530036958
Energy: 0.6576146095350183
Energy: 0.6799024815060356
Energy: 0.6485137497154365
Energy: 0.6855683355416132
Energy: 0.6511035766066394
Energy: 0.647918095006457
Energy: 0.6858516779925613
Energy: 0.6794482978625053
Energy: 0.6634510240784522
Energy: 0.6654185870480093
Energy: 0.6552171618615665
Energy: 0.6632099474381292
Energy: 0.6656460842678203
Energy: 0.6791791472355639
Energy: 0.6487601709601482
Energy: 0.648177538897573
Energy: 0.6476940887866457
Energy: 0.6486072905307485
Energy: 0.6490573838337389
Energy: 0.6730187794538278
Energy: 0.6475845094464462
Energy: 0.6513332523254033
Energy: 0.6490446214476684
Energy: 0.646727225326654
Energy: 0.6516105189059554
Energy: 0.7787935126374709
Energy: 0.6538864309259574
Energy: 0.6479610028368048
Energy: 0.6535118148459589
Energy: 0.6519308031070782
Energy: 0.6563052329291778

minimum gb energy = 0.6446780832940947 eV
minimum distance =  2.70446203395342 Angstroms
sigma value = 33


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

Energy: 0.842890321656008
Energy: 0.7272426475415927
Energy: 0.7265676378572742
Energy: 0.741542172335623
Energy: 0.703911236125749
Energy: 0.7263173490121885
Energy: 0.7603520530396597
Energy: 0.702951467128958
Energy: 0.7023804231854025
Energy: 0.7023599900699975
Energy: 0.7025321396701091
Energy: 0.7023240707675201
Energy: 0.7301194948709978
Energy: 0.7005231397042387
Energy: 0.7012316091175831
Energy: 0.7012785640003675
Energy: 0.7006141492573728
Energy: 0.700997456260868
Energy: 0.7291621464443929
Energy: 0.7003862732723403
Energy: 0.7015581103030477
Energy: 0.7001716942382801
Energy: 0.7024499016924525
Energy: 0.7001205847554428
Energy: 0.7272122351587169
Energy: 0.7068373959929755
Energy: 0.7163810693809953
Energy: 0.7037450601012889
Energy: 0.7057452193837102
Energy: 0.705288809130735
Energy: 0.7259273982446465
Energy: 0.7071255164558305
Energy: 0.7067127968966862
Energy: 0.7013495605914806
Energy: 0.7059628800260696
Energy: 0.7067940669139613
Energy: 0.7702777320825701
Energy: 0.7079103375965133
Energy: 0.7004318112599254
Energy: 0.7094951426235508
Energy: 0.7071536028731242
Energy: 0.6993328366916143
Energy: 0.7591830910317577
Energy: 0.7001824529671014
Energy: 0.7373537328211077
Energy: 0.6990506840248115
Energy: 0.699917692759765
Energy: 0.7378817363487534
Energy: 0.7702546540587407
Energy: 0.707604327978577
Energy: 0.708047618401232
Energy: 0.7230212658685059
Energy: 0.7008430875583476
Energy: 0.7080650709315748
Energy: 0.7732518575295692
Energy: 0.7006834149178035
Energy: 0.7011969796173737
Energy: 0.7008575742980016
Energy: 0.7006181204654656
Energy: 0.700117119236945
Energy: 0.7712298298935345
Energy: 0.7088267290656639
Energy: 0.7009149098262228
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Energy: 0.7075823325993175
Energy: 0.701760270341706
Energy: 0.7707712850978922
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Energy: 0.6944409747498073
Energy: 0.7127259331819411
Energy: 0.7266376444784582
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Energy: 0.7066327618703967
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Energy: 0.6971036477978744
Energy: 0.7270352185767881
Energy: 0.7018397099409613
Energy: 0.70133696945886
Energy: 0.6998066289388891
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Energy: 0.6995906587670152
Energy: 0.7010260050159915
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Energy: 0.6984271408688475
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Energy: 0.7055775977574053
Energy: 0.701300405320993
Energy: 0.7061413178477581
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Energy: 0.708236024895263
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Energy: 0.7022048611964316
Energy: 0.7087042631097745
Energy: 0.7283432069270258
Energy: 0.6965534319154444
Energy: 0.6968104681422401
Energy: 0.6990119338580711
Energy: 0.6974672819645427
Energy: 0.7020236289104496
Energy: 0.7020267633037092
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Energy: 0.7079960128247813
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Energy: 0.7013941455900998
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Energy: 0.709121634225822
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Energy: 0.7435972968922607
Energy: 0.6993598042993968
Energy: 0.7529226835040457
Energy: 0.7291521585179203
Energy: 0.7045093598755078
Energy: 0.6995379178364654
Energy: 0.7070032753645087
Energy: 0.7000379991832301
Energy: 0.7026376931802285
Energy: 0.7580625307191067
Energy: 0.7077992059932964
Energy: 0.6975125799615851
Energy: 0.6944858670484126
Energy: 0.7077276188042371
Energy: 0.6965765979173337

minimum gb energy = 0.6940613543043934 eV
minimum distance =  2.70364817125062 Angstroms
sigma value = 67


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

Energy: 1.1534717021882965
Energy: 0.8163401716485896
Energy: 0.8133410377198654
Energy: 0.8148356861406961
Energy: 0.7802732266593737
Energy: 0.8145748267972911
Energy: 0.8259057545064761
Energy: 0.7678528448659903
Energy: 0.7668163624408438
Energy: 0.7662866974598446
Energy: 0.7669194006187872
Energy: 0.76661119893076
Energy: 0.7761310293301674
Energy: 0.7294036259838823
Energy: 0.7412322235728626
Energy: 0.7424572261742857
Energy: 0.7312451875232092
Energy: 0.7408695000455522
Energy: 0.7758808142509082
Energy: 0.742367659650571
Energy: 0.7426950146284659
Energy: 0.7416837652784012
Energy: 0.7410615993971854
Energy: 0.7432867852519129
Energy: 0.8074290591911761
Energy: 0.7691952447977598
Energy: 0.7681184390458331
Energy: 0.7702198402885702
Energy: 0.7672096575864181
Energy: 0.7678639929493495
Energy: 0.8081643290537115
Energy: 0.7590907030862878
Energy: 0.7695004018796048
Energy: 0.7714157033251132
Energy: 0.7601856279864014
Energy: 0.7698351348823228
Energy: 0.8275356285142461
Energy: 0.7677895804204062
Energy: 0.7670430945640894
Energy: 0.7313213866170809
Energy: 0.7670482467486076
Energy: 0.7668240070527

minimum gb energy = 0.7294036259838823 eV
minimum distance =  2.7321432536115 Angstroms
sigma value = 3


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

Energy: 1.0481237015461389
Energy: 0.869971771367269
Energy: 0.8040743182094292
Energy: 0.8910242098868398
Energy: 0.9482978802787055
Energy: 0.8085958810262643
Energy: 0.8338156304845207
Energy: 0.9126960660622484
Energy: 0.8522554261704739
Energy: 0.8469534860249357
Energy: 0.9117457823538687
Energy: 0.8497972419788518
Energy: 0.8793054951497284
Energy: 0.8443286534139924
Energy: 0.8423298199316533
Energy: 0.8765935062193333
Energy: 0.8560113186325142
Energy: 0.8697863773587335
Energy: 0.8435909963087335
Energy: 0.851513696527633
Energy: 0.8520588219946085
Energy: 0.8455494377774088
Energy: 0.8370152857477389
Energy: 0.8538436292072047
Energy: 0.81830894216603
Energy: 0.8130380251034136
Energy: 0.8130544862777117
Energy: 0.8186904509714434
Energy: 0.815630626570092
Energy: 0.8138576576159195
Energy: 0.8535030500061648
Energy: 0.8124797638248412
Energy: 0.8125865079875246
Energy: 0.843560048361712
Energy: 0.8177933626863486
Energy: 0.8160563616408095
Energy: 0.8183378156244453
Energy: 0.816211053793396
Energy: 0.8166806880608796
Energy: 0.8138598071530815
Energy: 0.8156529780678538
Energy: 0.8168046512453201
Energy: 1.03357862343614
Energy: 0.8944269721673354
Energy: 0.8737429791953163
Energy: 0.8920677460196599
Energy: 0.8768746972987432
Energy: 0.887859308781346
Energy: 0.8180899205359179
Energy: 0.8127909060647394
Energy: 0.8677322853502879
Energy: 0.8175309595864646
Energy: 0.8108941555881426
Energy: 0.8688272141469987
Energy: 0.8513502439548692
Energy: 0.8909017616215514
Energy: 0.879386066988665
Energy: 0.9272264873219374
Energy: 0.8819675816498198
Energy: 0.9013968199153245
Energy: 0.861969823622282
Energy: 0.8054332593948598
Energy: 0.8049548819993018
Energy: 0.817204043979603
Energy: 0.8051008614327468
Energy: 0.8149886545916117
Energy: 0.8646310617108988
Energy: 0.8180014778361514
Energy: 0.8150154675528637
Energy: 0.8161966216703582
Energy: 0.8107822702376144
Energy: 0.8216309985199549
Energy: 0.8477995824035233
Energy: 0.8122434404332182
Energy: 0.8183110904955058
Energy: 0.8077069805541451
Energy: 0.8129350927093488
Energy: 0.815525736515682
Energy: 0.8968851019236115
Energy: 0.8517501250273188
Energy: 0.8513749468904178
Energy: 0.8564150645733696
Energy: 0.8579194634124896
Energy: 0.8437600319034358
Energy: 0.9676398415058488
Energy: 0.8676456965278103
Energy: 0.8860690168104576
Energy: 0.8704022275356462
Energy: 0.8820801127595832
Energy: 0.8838470780604338
Energy: 0.9273767162347317
Energy: 0.8593711068322335
Energy: 0.8612759752258584
Energy: 0.8663725960666713
Energy: 0.8539170566685818
Energy: 0.8567777787563613
Energy: 0.925765854188883
Energy: 0.8906797065448692
Energy: 0.8923521584823119
Energy: 0.8462457916302809
Energy: 0.8995932859872215
Energy: 0.8218231576857176
Energy: 1.0113600378983338
Energy: 0.9082332960611891
Energy: 0.952206826593633
Energy: 0.8992878222525125
Energy: 0.9220736324223251
Energy: 0.915150219598034
Energy: 1.0026139873090698
Energy: 0.9264850619878116
Energy: 0.9088931991363455
Energy: 0.8580301093340011
Energy: 0.9257803700559639
Energy: 0.8669265316584667
Energy: 0.9121843043329553
Energy: 0.8694500369042446
Energy: 0.9303891668018913
Energy: 0.8641405173279111
Energy: 0.8699451122960259
Energy: 0.8596000950339894
Energy: 0.8284666877900233
Energy: 0.8084925415071135
Energy: 0.8055614008595072
Energy: 0.8033690604048606
Energy: 0.807846462861455
Energy: 0.8064946644748303
Energy: 0.8290189664673983
Energy: 0.8217900490311856
Energy: 0.8065106768167906
Energy: 0.8034016815698841
Energy: 0.822434503796341
Energy: 0.8057793726385631
Energy: 0.8867143788176269
Energy: 0.8505057827274427
Energy: 0.8143000156678142
Energy: 0.861829542793576
Energy: 0.8566974842810038
Energy: 0.8097563984953849
Energy: 0.8854749030021678
Energy: 0.8864355980347889
Energy: 0.8857010216700979
Energy: 0.8595649107998998
Energy: 0.8881121087210608
Energy: 0.8765295317299414
Energy: 0.8234637709620382
Energy: 0.8349743263280945
Energy: 0.8271253837117825
Energy: 0.8254937196566154
Energy: 0.827505137346197
Energy: 0.8266839473630399
Energy: 0.9711411861416278
Energy: 0.8301154410081524
Energy: 0.8243280825572459
Energy: 0.8318169841412516
Energy: 0.828447972897096
Energy: 0.8317940049902874
Energy: 0.8349233384575573
Energy: 0.8457073232529745
Energy: 0.8451289836388114
Energy: 0.8427627520002741
Energy: 0.838861952287476
Energy: 0.8312687408698156
Energy: 0.8237659491048566
Energy: 0.8349970938443433
Energy: 0.8304828482631715
Energy: 0.8267358296439459
Energy: 0.8283979923379116
Energy: 0.8285081040481634
Energy: 0.8928355617918117
Energy: 0.8921101960570149
Energy: 0.891196100445439
Energy: 0.8975619749528733
Energy: 0.8891116679709997
Energy: 0.8548518468941084
Energy: 0.944731583003022
Energy: 0.8239005776595483
Energy: 0.8196569767106953
Energy: 0.9395657763062524
Energy: 0.8511743179735639
Energy: 0.8266144372097775
Energy: 0.8854863124685585
Energy: 0.8638760262042445
Energy: 0.8459130321204372
Energy: 0.8461116991407954
Energy: 0.8634817837807054
Energy: 0.8626354094160159
Energy: 0.825413294385656
Energy: 0.8301452260596884
Energy: 0.8216606954707116
Energy: 0.8172862624016431
Energy: 0.830516775821544
Energy: 0.8232094277341568
Energy: 0.9522276613608226
Energy: 0.8206967004086281
Energy: 0.8773401658882888
Energy: 0.8838700872412215
Energy: 0.8218242174533755
Energy: 0.842719644190404
Energy: 0.8989955732882711
Energy: 0.9138354762560574
Energy: 0.8136618205192029
Energy: 0.8431843162337194
Energy: 0.9254292371418777
Energy: 0.8158456094728904
Energy: 0.9050741070555698
Energy: 0.8566367776733944
Energy: 0.8486165231125804
Energy: 0.8244670455719685
Energy: 0.8562223092823635
Energy: 0.8265252555278518
Energy: 0.861968537964581
Energy: 0.8679028185338753
Energy: 0.8823183554446593
Energy: 0.8129234768832644
Energy: 0.889850800708284
Energy: 0.904607429251122
Energy: 0.8634320672393075
Energy: 0.8155540286288576
Energy: 0.816794310163796
Energy: 0.8173485535852522
Energy: 0.8110671785731478
Energy: 0.822206733439174
Energy: 0.8860868759990985
Energy: 0.8427796517084206
Energy: 0.8389735026561541
Energy: 0.8190181033930386
Energy: 0.8412760077019672
Energy: 0.8872971341893944
Energy: 0.9369332390482493
Energy: 0.8791386528304387
Energy: 0.8199398399424284
Energy: 0.8650307034961883
Energy: 0.8736351670014812
Energy: 0.8638401363997311
Energy: 0.8803317631297606
Energy: 0.8539223841385765
Energy: 0.8558117245462725
Energy: 0.845914251310382
Energy: 0.872567531200947
Energy: 0.8613587411940079
Energy: 0.9298041054629002
Energy: 0.8474094777551422
Energy: 0.8562817172430216
Energy: 0.8498646288931215
Energy: 0.8450745673802967
Energy: 0.8600190620828588
Energy: 0.9262783456001886
Energy: 0.8360584128163449
Energy: 0.8229255465002875
Energy: 0.8524392674951144
Energy: 0.9034109617902361
Energy: 0.8516292173763256
Energy: 1.061555330407301
Energy: 0.8492167460568314
Energy: 0.848388127589672
Energy: 0.9254608032416527
Energy: 0.84334717317165
Energy: 0.8964175593915322
Energy: 0.9620571459168628
Energy: 0.8554412306728074
Energy: 0.8547016118976022
Energy: 0.9268810615403343
Energy: 0.845421068267429
Energy: 0.8507821716068281
Energy: 1.0004390407069401
Energy: 0.832584558367647
Energy: 0.8805666133249097
Energy: 0.8980856489923625
Energy: 0.8375705632144153
Energy: 0.8821997224051821
Energy: 0.8204773958008472
Energy: 0.8003235006630511
Energy: 0.7965371192462697
Energy: 0.7991046002232463
Energy: 0.7942623841302499
Energy: 0.8044735965989881
Energy: 0.8219937689293385
Energy: 0.7973464640225728
Energy: 0.8028263739273812
Energy: 0.793410361858713
Energy: 0.8055476329128773
Energy: 0.7959549645132337
Energy: 0.8213091943501334
Energy: 0.8009576695376885
Energy: 0.7969629279633544
Energy: 0.7948993586815617
Energy: 0.8000640798803152
Energy: 0.7956724886352115
Energy: 0.8887620320298553
Energy: 0.8624372988577842
Energy: 0.8518462357324492
Energy: 0.8758092193356398
Energy: 0.8628692667894641
Energy: 0.85651155222498
Energy: 0.8790154368469798
Energy: 0.8575025894157203
Energy: 0.8688243890039719
Energy: 0.8782659041359502
Energy: 0.8632084847204816
Energy: 0.8496032862245807
Energy: 0.8334115285053283
Energy: 0.8953098731734689
Energy: 0.883556484283881
Energy: 0.8332174799259349
Energy: 0.9033906382196152
Energy: 0.8532371060609621

minimum gb energy = 0.793410361858713 eV
minimum distance =  2.68181002006172 Angstroms
sigma value = 81


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

Energy: 1.7913596159923888
Energy: 0.9014759577536302
Energy: 0.8245400498572512
Energy: 0.8259991605446342
Energy: 0.8700805917811767
Energy: 0.9010896389120236
Energy: 0.8611440364026214
Energy: 0.8411459994164935
Energy: 0.7995406490109331
Energy: 0.8151024870477286
Energy: 0.7883801226533194
Energy: 0.8426314518182892
Energy: 0.9545998550549057
Energy: 0.8422522873079542
Energy: 0.849167744309
Energy: 0.8085650837095771
Energy: 0.8421919034761832
Energy: 0.9529385491633301
Energy: 0.9933933375423831
Energy: 0.8509301828177607
Energy: 0.842478877515707
Energy: 0.8944497195027445
Energy: 0.8425963795938021
Energy: 0.7693436721907282
Energy: 1.0018070208632466
Energy: 0.8371243716444987
Energy: 0.8430735989530403
Energy: 0.8493913042462062
Energy: 0.8418113699651121
Energy: 0.8444453895149238
Energy: 0.9103362052140992
Energy: 0.8417588993221227
Energy: 0.8432042658169281
Energy: 0.8368960447806705
Energy: 0.8414792665343349
Energy: 0.9876205687906389
Energy: 1.0898298559704982
Energy: 0.9934415438485836
Energy: 0.8406633564112247
Energy: 1.010336738106326
Energy: 0.8457635244224155
Energy: 0.9963952937992492
Energy: 1.0875509713172429
Energy: 1.0033339977297864
Energy: 1.0024325704366153
Energy: 0.9059248446212185
Energy: 1.0111034352528259
Energy: 0.9193021716205719
Energy: 1.0076410556502777
Energy: 1.001590384968112
Energy: 1.0019287046635732
Energy: 1.017970334018784
Energy: 0.9213324873779924
Energy: 0.9963456018163963
Energy: 0.8581955109356199
Energy: 0.9237187921445594
Energy: 0.9205855577455431
Energy: 0.9756807037123039
Energy: 0.9242955550481017
Energy: 0.9213931604303874
Energy: 1.010366923812631
Energy: 0.9110125752916782
Energy: 0.9014673055041559
Energy: 0.9896063964401105
Energy: 0.8890476537159215
Energy: 0.9469826094789527
Energy: 0.8952711659948233
Energy: 0.9270048174394888
Energy: 0.9257516896350709
Energy: 0.8440730365301153
Energy: 0.9228204616869957
Energy: 0.9265893357957009
Energy: 0.8948000350372952
Energy: 0.922722807255439
Energy: 0.9221151590443897
Energy: 0.8423536996209225
Energy: 0.9351590346888659
Energy: 0.8503822721305976
Energy: 1.0225206969405563
Energy: 0.942383376630404
Energy: 0.9410216936378122
Energy: 0.9440608642699994
Energy: 0.9637250806389672
Energy: 0.9416952464472758
Energy: 1.0623447381500633
Energy: 1.006620361014782
Energy: 0.9830388850511401
Energy: 0.9909709388335186
Energy: 0.9790089381759789
Energy: 0.9850077701340707
Energy: 1.0228248279076748
Energy: 0.9814872232008373
Energy: 0.9931716538458217
Energy: 0.9447942362520516
Energy: 1.0167687167931314
Energy: 0.99037749875673
Energy: 1.1169531713688718
Energy: 0.9077934987370262
Energy: 0.8990699400771718
Energy: 1.000557057577458
Energy: 0.9117147096521113
Energy: 0.9048541879900545
Energy: 1.1173005894222754
Energy: 1.0187083009352005
Energy: 1.0048639284360823
Energy: 0.9965256500339187
Energy: 1.0133323696516097
Energy: 1.004772852864513
Energy: 0.9368047881145689
Energy: 0.9747163738172269
Energy: 0.8411940964469447
Energy: 0.8405121412777492
Energy: 0.9741039273736897
Energy: 0.8471966323771123
Energy: 0.9363097014457235
Energy: 0.973701472984654
Energy: 0.8417531172893956
Energy: 0.8379799650591938
Energy: 0.9734371880687087
Energy: 0.8432010613524685
Energy: 0.9661507628874425
Energy: 0.9444272971613186
Energy: 0.9184248864663714
Energy: 0.9169696828792364
Energy: 0.9175051983136819
Energy: 0.9169220988038158
Energy: 0.977714137707788
Energy: 0.8510847341646337
Energy: 0.8455671446967754
Energy: 0.9230498412419897
Energy: 0.8515460816718318
Energy: 0.8670055673303472
Energy: 1.010367250684326
Energy: 0.9356752102716575
Energy: 0.9354640852476171
Energy: 0.9797820129375711
Energy: 0.9437705559063254
Energy: 0.9430666251427876
Energy: 1.0074176725905972
Energy: 0.9804605113506878
Energy: 0.9847034380622057
Energy: 0.9845800411129482
Energy: 0.9801215340881031
Energy: 0.9813778924948057
Energy: 1.0056356992554178
Energy: 0.9806354984679131
Energy: 0.9796867137606948
Energy: 0.9881427393516933
Energy: 0.9907364933093494
Energy: 0.9888750701916152
Energy: 0.9883667648836006
Energy: 0.9958066480834333
Energy: 0.9985699566447377
Energy: 0.9053833159281913
Energy: 0.9968096744277939
Energy: 1.0013024343617758
Energy: 0.9872708452959037
Energy: 1.0007269715477565
Energy: 1.0010285712413387
Energy: 0.9107682177833314
Energy: 1.0115847918039658
Energy: 1.0069526896586514
Energy: 1.0444630808441824
Energy: 0.8925515624556998
Energy: 0.986112694434768
Energy: 1.0164608025571567
Energy: 0.892622238241623
Energy: 0.9842688122347794
Energy: 0.868021403347479
Energy: 0.9182383916406789
Energy: 0.9165222593064088
Energy: 0.8635361102932873
Energy: 0.9204733894344876
Energy: 0.9134251638818291
Energy: 0.984494494619975
Energy: 0.9274609756220066
Energy: 0.9304348246710248
Energy: 0.9613463902450409
Energy: 0.926102498955259
Energy: 0.9431000885794243
Energy: 0.8876923897761495
Energy: 0.9234443529538451
Energy: 0.9236018018873279
Energy: 0.8492009944092738
Energy: 0.9301491700960913
Energy: 0.8503616526366081
Energy: 1.0318291079719693
Energy: 0.9404360470146007
Energy: 0.9406687691140154
Energy: 0.9452096655616207
Energy: 0.8409314689352991
Energy: 0.9384135667020387
Energy: 1.0666558172419942
Energy: 0.8342055277630873
Energy: 0.8396817178796361
Energy: 0.8351286437406066
Energy: 0.8357965694309647
Energy: 0.8498605271697472
Energy: 1.0667235018390286
Energy: 0.8415930677401984
Energy: 0.8324717201684804
Energy: 0.8499182834229576
Energy: 0.8381038270069855
Energy: 0.8491467626017538
Energy: 1.0664576734376343
Energy: 0.9088868660749297
Energy: 0.835243447039287
Energy: 0.9352313992557315
Energy: 0.9105182198354513
Energy: 0.9042072225142761
Energy: 1.0664446157139782
Energy: 0.911519452673804
Energy: 0.9095606845297883
Energy: 0.8843675676251057
Energy: 0.9125349105284776
Energy: 1.0165116893847963
Energy: 0.9588158830336228
Energy: 0.877357415560572
Energy: 0.9029095223150171
Energy: 0.9190088841611496
Energy: 0.8531233778017377
Energy: 0.9041469470091401
Energy: 1.014911890997791
Energy: 0.8424535617233302
Energy: 0.84223011974328
Energy: 0.8462395793295754
Energy: 0.8425207013228352
Energy: 0.9148630948639707

minimum gb energy = 0.7693436721907282 eV
minimum distance =  2.56975297589224 Angstroms
sigma value = 43


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

Energy: 1.1453852108843834
Energy: 0.8370623923964319
Energy: 0.8017959000820192
Energy: 0.8943538529149596
Energy: 0.843712341680233
Energy: 0.931600201650427
Energy: 0.823779993183956
Energy: 0.7743725128653522
Energy: 0.8075842505500563
Energy: 0.8396767601265586
Energy: 0.7718813214803313
Energy: 0.796635557381891
Energy: 0.8249795120612515
Energy: 0.8221094355204174
Energy: 0.8216750139366349
Energy: 0.8584367086905643
Energy: 0.8220593250540653
Energy: 0.8412602746005564
Energy: 0.8793729283982944
Energy: 0.8226190945003722
Energy: 0.797630763877705
Energy: 0.8799098195802706
Energy: 0.8312519738709997
Energy: 0.7980020145024216
Energy: 0.7900275513220127
Energy: 0.7530806503382999
Energy: 0.7529806604365928
Energy: 0.756125592851407
Energy: 0.7532081263417744
Energy: 0.7530372626189914
Energy: 0.7833330387589317
Energy: 0.7532187033876714
Energy: 0.7532988067533908
Energy: 0.7534657189890608
Energy: 0.7533126628361141
Energy: 0.7533032931614667
Energy: 0.78584604988331
Energy: 0.7568429334108185
Energy: 0.7532070899849633
Energy: 0.752769985318697
Energy: 0.7500799290086265
Energy: 0.7532992422847629
Energy: 0.8746799880349225
Energy: 0.8416388428411233
Energy: 0.8500608529093477
Energy: 0.8152951689864281
Energy: 0.8472091971119009
Energy: 0.8487231613189815
Energy: 0.7878278849089698
Energy: 0.845490956768874
Energy: 0.8452245047043212
Energy: 0.7708508168022443
Energy: 0.847852376646428
Energy: 0.8454530330410742
Energy: 0.922886482041635
Energy: 0.8611766933254511
Energy: 0.8598143032434198
Energy: 0.833043857268397
Energy: 0.8667325546931312
Energy: 0.8636173338425757
Energy: 0.7905427843458795
Energy: 0.8873403713480669
Energy: 0.8768270522273438
Energy: 0.7752323568985543
Energy: 0.8301300703580516
Energy: 0.772121024447651
Energy: 0.9085253546039105
Energy: 0.8453067319357753
Energy: 0.8453798748545044
Energy: 0.7545344128683681
Energy: 0.8400802697596256
Energy: 0.8394994754904183
Energy: 0.9070652470968465
Energy: 0.8501107266324867
Energy: 0.8649107954153209
Energy: 0.8355337544251422
Energy: 0.848670574552769
Energy: 0.8607274769737627
Energy: 0.7899088455265819
Energy: 0.7741503803077219
Energy: 0.7716475002934413
Energy: 0.7737165910576522
Energy: 0.7739742038913089
Energy: 0.7708392293609009
Energy: 0.7874888163769935
Energy: 0.7925788765855363
Energy: 0.7701708889750921
Energy: 0.775339559062698
Energy: 0.7553883292376868
Energy: 0.7699847625457898
Energy: 0.7843800007034998
Energy: 0.7542524309023184
Energy: 0.8485598822397682
Energy: 0.7844819689850955
Energy: 0.75380736192801
Energy: 0.7722047651511216
Energy: 0.8114385684673816
Energy: 0.8071247184412896
Energy: 0.8068682020866949
Energy: 0.8055433991533907
Energy: 0.7808840051322105
Energy: 0.8044565739862778
Energy: 0.8136288282680573
Energy: 0.8131561540294
Energy: 0.8024738681327792
Energy: 0.8102741867778095
Energy: 0.8007923551154269
Energy: 0.8020097878940904
Energy: 0.9576863453848518
Energy: 0.806073467614684
Energy: 0.807465865889704
Energy: 0.8573888588231496
Energy: 0.802502813704465
Energy: 0.8485180283905388
Energy: 0.9605821105213103
Energy: 0.8014757710107314
Energy: 0.8081165232954649
Energy: 0.8579762588108119
Energy: 0.8112966324703599
Energy: 0.8483790900030395
Energy: 0.8141259893009241
Energy: 0.8089890550273816
Energy: 0.800745663833531
Energy: 0.8131363245248964
Energy: 0.7811203130101787
Energy: 0.8010806060512995
Energy: 0.8651120756573037
Energy: 0.8787660922970842
Energy: 0.8972672018887361
Energy: 0.7985319328191425
Energy: 0.8392869339633312
Energy: 0.9686308833066675
Energy: 0.9186026472177089
Energy: 0.8001330572353138
Energy: 0.8002273854591179
Energy: 0.8059314043721392
Energy: 0.8043092531417847
Energy: 0.800559427849656
Energy: 0.8438104883323411
Energy: 0.8072831434416035
Energy: 0.8171821994691887
Energy: 0.7904641549997681
Energy: 0.8120917311104447
Energy: 0.8063903137263184
Energy: 0.9196115457666008
Energy: 0.8126351829491284
Energy: 0.8082228183965063
Energy: 0.8014051869600947
Energy: 0.8143084114607424
Energy: 0.8100088043292748
Energy: 0.8192902898080332
Energy: 0.7699826206814783
Energy: 0.7768747871501467
Energy: 0.7747692441076717
Energy: 0.7713302353471406
Energy: 0.7768349021167794
Energy: 0.818846045401789
Energy: 0.7733096051228382
Energy: 0.7747559527402698
Energy: 0.774190396948148
Energy: 0.7783552111496612
Energy: 0.7752231333498212
Energy: 0.8171472380141631
Energy: 0.7741369540531934
Energy: 0.7731756273864685
Energy: 0.7840810951777611
Energy: 0.7706542952938451
Energy: 0.7733439008873869
Energy: 0.849667013632212
Energy: 0.848679913575484
Energy: 0.8534435975119755
Energy: 0.8495530591073798
Energy: 0.8193340167826303
Energy: 0.7934761218116296
Energy: 0.8409622038991347
Energy: 0.7765539084784472
Energy: 0.7746781398665028
Energy: 0.852123021256562
Energy: 0.7731469952630848
Energy: 0.7971895167828474
Energy: 0.9665883191771191
Energy: 0.8733508989617795
Energy: 0.8376697313427374
Energy: 0.8888576854804694
Energy: 0.8067068594584201
Energy: 0.8297627581668803

minimum gb energy = 0.7500799290086265 eV
minimum distance =  2.67891359727446 Angstroms
sigma value = 57


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

Energy: 1.0311388042063765
Energy: 0.8260867195704202
Energy: 0.9690635655919635
Energy: 0.8016801692617855
Energy: 0.8646511022350627
Energy: 0.968985038871806
Energy: 0.7537174607341873
Energy: 0.7367585996166558
Energy: 0.7381331413709538
Energy: 0.741105429537424
Energy: 0.7352579903326529
Energy: 0.7379927762069475
Energy: 0.801259385000145
Energy: 0.7440592411930402
Energy: 0.7439166419599156
Energy: 0.8170003486414095
Energy: 0.7435277023436635
Energy: 0.7437722783817404
Energy: 0.8473177012905864
Energy: 0.741946238657093
Energy: 0.7417196196595466
Energy: 0.847691973315582
Energy: 0.7374080991730617
Energy: 0.7359735826380718
Energy: 0.771629303603606
Energy: 0.7345201409756263
Energy: 0.7343421077634659
Energy: 0.7362634904990077
Energy: 0.7369688671173695
Energy: 0.7350655469320017
Energy: 0.7543398962743162
Energy: 0.735750586562197
Energy: 0.7359202743139988
Energy: 0.7352473995812524
Energy: 0.735202763391025
Energy: 0.7359232010163591
Energy: 0.8763282795785085
Energy: 0.739453049386701
Energy: 0.7369906413787896
Energy: 0.7365545006908951
Energy: 0.7400441477264383
Energy: 0.735862134394759
Energy: 0.7768831903781036
Energy: 0.8141470854897007
Energy: 0.8161889488265939
Energy: 0.7473215363660886
Energy: 0.7969336034820663
Energy: 0.7728949725412148
Energy: 0.87606320404023
Energy: 0.8151067476421526
Energy: 0.8144760700749082
Energy: 0.7409221965061836
Energy: 0.8180682917269643
Energy: 0.7395458581166244
Energy: 1.0489947695313717
Energy: 0.8435709174947357
Energy: 0.8422347040941993
Energy: 0.9723369562269657
Energy: 0.842295221003817
Energy: 0.8373848849215879
Energy: 0.8490048211581405
Energy: 0.7594095584933797
Energy: 0.7357723068264398
Energy: 0.8167805242238831
Energy: 0.7571210298059967
Energy: 0.8126015226191157
Energy: 0.7522955283338805
Energy: 0.8138056078479069
Energy: 0.812501034814558
Energy: 0.7441501440399272
Energy: 0.8139867739995165
Energy: 0.8548275859740214
Energy: 0.7517119870642742
Energy: 0.8384230460415588
Energy: 0.8691958027514772
Energy: 0.8692479099028693
Energy: 0.8379183104690369
Energy: 0.8834496017174124
Energy: 0.8525468904292891
Energy: 0.7374317139570739
Energy: 0.7377862220809673
Energy: 0.816834491262051
Energy: 0.7408934667857678
Energy: 0.7359955452818265
Energy: 0.8494545029351694
Energy: 0.7393414508737494
Energy: 0.7354775825916416
Energy: 0.7351253135093482
Energy: 0.7348080493382657
Energy: 0.7358483904045537
Energy: 0.8487437626000516
Energy: 0.7382550617506977
Energy: 0.73764057954196
Energy: 0.8487316146256432
Energy: 0.7369480663091976
Energy: 0.7378782854514736
Energy: 0.7645863373535259
Energy: 0.7358940324618426
Energy: 0.7355418169378004
Energy: 0.736340386752175
Energy: 0.7358763072199206
Energy: 0.7353491392643885
Energy: 0.7759882720566877
Energy: 0.7360553478576726
Energy: 0.7364010506937742
Energy: 0.7346451280445272
Energy: 0.7354545143013447
Energy: 0.7360573128973014
Energy: 0.8759492274170299
Energy: 0.8145660219680646
Energy: 0.8141113555650815
Energy: 0.7365386088986915
Energy: 0.798598119304929
Energy: 0.8139830038230224
Energy: 0.875816274573471
Energy: 0.8172978528563775
Energy: 0.8177521600926643
Energy: 0.7365558456803488
Energy: 0.8376137379103459
Energy: 0.8163452298007148
Energy: 0.8727403690150507
Energy: 0.8164584854643345
Energy: 0.7373096521153887
Energy: 0.7400252797437292
Energy: 0.8153088608934443
Energy: 0.7369700010068111
Energy: 0.9485762637496277
Energy: 0.842628291723594
Energy: 0.8696055955614312
Energy: 0.8086470960359703
Energy: 0.8450299755126457
Energy: 0.7845326246637994
Energy: 0.8074455433931169
Energy: 0.8172058123023879
Energy: 0.7399070857276773
Energy: 0.8140190528185753
Energy: 0.8155112124457103
Energy: 0.7378747483837433
Energy: 0.7524763563835702
Energy: 0.8179261111622153
Energy: 0.8700787187119496
Energy: 0.8819244160611948
Energy: 0.8385465365694861
Energy: 0.8831474710652452

minimum gb energy = 0.7343421077634659 eV
minimum distance =  2.70433119495126 Angstroms
sigma value = 17


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

Energy: 0.9169943075701817
Energy: 0.9012998601914449
Energy: 0.8993636188966799
Energy: 0.7086229171181759
Energy: 0.9044672944405634
Energy: 0.720556896891343
Energy: 0.826202400021427
Energy: 0.7178305060455057
Energy: 0.7188112632686935
Energy: 0.8673981028724131
Energy: 0.8216731966408193
Energy: 0.7187059198387591
Energy: 0.7783534157682428
Energy: 0.6938723337058859
Energy: 0.6906298992785913
Energy: 0.771819778199934
Energy: 0.6951867099352599
Energy: 0.6900809354524268
Energy: 0.8772493231639336
Energy: 0.6942926639186203
Energy: 0.6924700411974773
Energy: 0.8772394493321605
Energy: 0.6942452683162965
Energy: 0.7192006726334568
Energy: 0.8904179375677607
Energy: 0.6687781058423363
Energy: 0.6689639889804689
Energy: 0.7939915166605314
Energy: 0.66926826798863
Energy: 0.6694709691091233
Energy: 0.7629440627319815
Energy: 0.6765424978710295
Energy: 0.6765704519562303
Energy: 0.6562116389565555
Energy: 0.6767352559364493
Energy: 0.654846252905871
Energy: 0.7385882946976241
Energy: 0.6567368276313567
Energy: 0.6543840233841856
Energy: 0.6556043761427023
Energy: 0.8110546981701737
Energy: 0.6540323575351793
Energy: 0.7386713061499294
Energy: 0.6551350739295404
Energy: 0.6552115103334459
Energy: 0.6550836956777275
Energy: 0.6569119186730589
Energy: 0.6564798341486775
Energy: 0.811987545021812
Energy: 0.6540123414115053
Energy: 0.65348746551847
Energy: 0.812094044246682
Energy: 0.6544151748405735
Energy: 0.6537535253299958
Energy: 0.8127425466639087
Energy: 0.6767977912468539
Energy: 0.6764936990959519
Energy: 0.6758607151264304
Energy: 0.6771043674238177
Energy: 0.6765581988035392
Energy: 0.6928609445449
Energy: 0.6707688114631926
Energy: 0.6699083703631051
Energy: 0.6698758944722989
Energy: 0.6696692740551341
Energy: 0.6693539684444574
Energy: 0.8900518214078464
Energy: 0.8223855627567728
Energy: 0.7182274497340638
Energy: 0.6807363970405071
Energy: 0.8782708358867172
Energy: 0.7204477647374784
Energy: 0.8360209394399978
Energy: 0.7719587109822278
Energy: 0.7523502551622175
Energy: 0.6812780168957862
Energy: 0.7720412388714629
Energy: 0.7527126576709577
Energy: 0.9011510977418763
Energy: 0.7520978383428212
Energy: 0.6976362859727249
Energy: 0.8525905335959103
Energy: 0.7659728915441671
Energy: 0.6984621267430782
Energy: 0.8220780706179875
Energy: 0.8177784156609491
Energy: 0.8036373740303339
Energy: 0.8031094078414237
Energy: 0.8175446514482728
Energy: 0.8032186068765946
Energy: 0.8324604317729595
Energy: 0.8724171450696607
Energy: 0.7190705916511396
Energy: 0.7713325347986868
Energy: 0.7670608445017829
Energy: 0.7177784598838388
Energy: 0.9114653304755913
Energy: 0.7517622201210378
Energy: 0.8530203584146663
Energy: 0.7042334384216199
Energy: 0.7714586876972187
Energy: 0.8809785389702323

minimum gb energy = 0.65348746551847 eV
minimum distance =  2.62632534279894 Angstroms
sigma value = 17


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

Energy: 0.7485769114874012
Energy: 0.809178211877531
Energy: 0.7031652820134747
Energy: 0.6495044481154529
Energy: 0.6887614318674822
Energy: 0.7005595835454735
Energy: 0.7939510108800517
Energy: 0.7041287776142502
Energy: 0.6201454350212692
Energy: 0.6899612183359771
Energy: 0.792403621061483
Energy: 0.6459450179980585
Energy: 1.0259362584768015
Energy: 0.6057486207868328
Energy: 0.6358690813245459
Energy: 0.6860607741297539
Energy: 0.6062627944944061
Energy: 0.6352371433963316
Energy: 0.8682569690886415
Energy: 0.6362962719094987
Energy: 0.6357734707135556
Energy: 0.8692342009313275
Energy: 0.5992779866188234
Energy: 0.6354274173752853
Energy: 0.7808295859364309
Energy: 0.6148460085554077
Energy: 0.6153652771563571
Energy: 0.7177843280062153
Energy: 0.6154908220092518
Energy: 0.6164406673088902
Energy: 0.7278870868247735
Energy: 0.6150372415978032
Energy: 0.5986839783266701
Energy: 0.6023522312483915
Energy: 0.615110112420346
Energy: 0.5990865479910319
Energy: 0.7432342850986693
Energy: 0.6973494340668414
Energy: 0.6833014253319343
Energy: 0.5923983519303909
Energy: 0.7727012793474506
Energy: 0.5981922676283722
Energy: 0.6627516171585425
Energy: 0.588567033631379
Energy: 0.5921072704761157
Energy: 0.5970937379852277
Energy: 0.5895795707449641
Energy: 0.5940234864298405
Energy: 0.7432796290159236
Energy: 0.5939726190799104
Energy: 0.5933117783511865
Energy: 0.7442467003771037
Energy: 0.6016292628036477
Energy: 0.6006218782974527
Energy: 0.7413237059208684
Energy: 0.5888196396647034
Energy: 0.5879934741373516
Energy: 0.7440961854753996
Energy: 0.5892338829692327
Energy: 0.5879532725499795
Energy: 0.6682661685927614
Energy: 0.5892411035454372
Energy: 0.5888354234912078
Energy: 0.5901622797603563
Energy: 0.7421558546011654
Energy: 0.5885231729873484
Energy: 0.7419234253023814
Energy: 0.7410303916757397
Energy: 0.5923007418753526
Energy: 0.5975315745122955
Energy: 0.7465269516005432
Energy: 0.5929219520939277
Energy: 0.7045035208533723
Energy: 0.5923169528095464
Energy: 0.5915956840124437
Energy: 0.5943339263438183
Energy: 0.5996750411253666
Energy: 0.5918341230708342
Energy: 0.7709106324601472
Energy: 0.5980785174755798
Energy: 0.5978978938185137
Energy: 0.7717071786497633
Energy: 0.5899370001246695
Energy: 0.5977100373364895
Energy: 0.7700334671778303
Energy: 0.6043879483233208
Energy: 0.6047397924987711
Energy: 0.6162576397864228
Energy: 0.5971093670817349
Energy: 0.6165627393686358
Energy: 0.7719322316619373
Energy: 0.6161565064700665
Energy: 0.6167214984329371
Energy: 0.616595308597618
Energy: 0.7695248592088195
Energy: 0.6169608795171608
Energy: 0.7429268682347134
Energy: 0.6779950626463078
Energy: 0.6784262039899677
Energy: 0.6189250957736918
Energy: 0.6864990991165258
Energy: 0.6215581396987353
Energy: 0.7838430843592988
Energy: 0.6773296156366369
Energy: 0.6769920637622413
Energy: 0.6086361119448084
Energy: 0.6772409199696522
Energy: 0.6209925264807865
Energy: 0.8757088631506457
Energy: 0.6863959056426342
Energy: 0.6464013917888988
Energy: 0.7037850315476067
Energy: 0.6216361853477368
Energy: 0.615304142141507
Energy: 0.7726307262983507
Energy: 0.6481381944365728
Energy: 0.6480253274127592
Energy: 0.6861992501914039
Energy: 0.6496536357983979
Energy: 0.7206351803844302
Energy: 0.9633436248122268
Energy: 0.6883420240070587
Energy: 0.6464530990493194
Energy: 0.6922005045652856
Energy: 0.6891819649655694
Energy: 0.6460558300490213
Energy: 0.748989776809634
Energy: 0.7100549738304675
Energy: 0.7297657964486235
Energy: 0.6462235534769154
Energy: 0.7086841010604333
Energy: 0.6444840427983458
Energy: 0.7525719315615801
Energy: 0.6776129303090326
Energy: 0.6881241556192473
Energy: 0.6048498904926528
Energy: 0.7123153159909719
Energy: 0.6617430736751008
Energy: 1.0442692409254377
Energy: 0.6394220617267281
Energy: 0.6462192379463989
Energy: 0.675564362304582
Energy: 0.5987865586755472
Energy: 0.677826356402002
Energy: 0.8656308425020167
Energy: 0.6060365746973669
Energy: 0.6354713003559858
Energy: 0.687655208281084
Energy: 0.6067068936601936
Energy: 0.6352641228303654
Energy: 0.8685936075818138
Energy: 0.6227196309456795
Energy: 0.6216979319667154
Energy: 0.7026086605373063
Energy: 0.6230399604367414
Energy: 0.6169571234325499
Energy: 0.7288989293911287
Energy: 0.6136289065440076
Energy: 0.6148360551577557
Energy: 0.6021632202152362
Energy: 0.6148429420822862
Energy: 0.6227321947174502
Energy: 0.7418124149552132
Energy: 0.695236822609949
Energy: 0.614103832215292
Energy: 0.7107332021397667
Energy: 0.7741009020066928
Energy: 0.6170079459330287
Energy: 0.654680895948004
Energy: 0.5944589723246722
Energy: 0.5937488043157447
Energy: 0.5931084141824597
Energy: 0.6311738399379946
Energy: 0.5929523087549823
Energy: 0.7442252530485242
Energy: 0.5885007404772862
Energy: 0.5922952066385597
Energy: 0.7435154366418005
Energy: 0.5895154223741833
Energy: 0.5917351951783864
Energy: 0.7427983002136143
Energy: 0.5915088361163314
Energy: 0.5917039428885925
Energy: 0.74180414194017
Energy: 0.5913705944089707
Energy: 0.5913865614820802
Energy: 0.6674661154118321
Energy: 0.5927232111342028
Energy: 0.5927785563771993
Energy: 0.5956434139461599
Energy: 0.5907633848763245
Energy: 0.5931586508855616
Energy: 0.7458506240667025
Energy: 0.7416028653291005
Energy: 0.7429502435738017
Energy: 0.6785699548982969
Energy: 0.7426334153422376
Energy: 0.6735718675724262
Energy: 0.7022312943500197
Energy: 0.6014027815157256
Energy: 0.5983396285090407
Energy: 0.5964456947205624
Energy: 0.6000864134055052
Energy: 0.5954422748962813
Energy: 0.77196404292145
Energy: 0.5958630000498306
Energy: 0.5955815776208123
Energy: 0.772342627338576
Energy: 0.595306316998327
Energy: 0.5954401602592332
Energy: 0.7708931755829309
Energy: 0.5978696183320777
Energy: 0.6163075092376576
Energy: 0.7715853273622831
Energy: 0.5983788389562206
Energy: 0.6158327100734752
Energy: 0.6988452516912775
Energy: 0.6164712908652015
Energy: 0.6158568095353072
Energy: 0.6149855102094713
Energy: 0.617964920925821
Energy: 0.6151758610604159
Energy: 0.7409926716371743
Energy: 0.7101403744845378
Energy: 0.6148263428475632
Energy: 0.6152863541274781
Energy: 0.8675934002308154
Energy: 0.616273263303723
Energy: 0.7379285553662862
Energy: 0.6754221875331563
Energy: 0.6418158901743605
Energy: 0.6240606616291792
Energy: 0.6748467733238227
Energy: 0.6436288775130691
Energy: 0.7699066140901336
Energy: 0.6905781646587178
Energy: 0.6912134154341106
Energy: 0.6196492428065172
Energy: 0.6905489672296933
Energy: 0.6454904887937032
Energy: 0.9664526588158271
Energy: 0.6300528744697552
Energy: 0.7169087785586006
Energy: 0.7194150966594104
Energy: 0.6306773201913405
Energy: 0.7241581120837822
Energy: 0.9436111233728245
Energy: 0.6699061114837914
Energy: 0.6525551032353494
Energy: 0.6758286690762322
Energy: 0.6203433295296851
Energy: 0.6774971597424632
Energy: 0.7463367355789989
Energy: 0.6758750008289883
Energy: 0.6774300869403391
Energy: 0.7193886288073963
Energy: 0.6760620812555742
Energy: 0.661962644822253

minimum gb energy = 0.5879532725499795 eV
minimum distance =  2.70420868411337 Angstroms
sigma value = 57


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

Energy: 0.6752499916085493
Energy: 0.7155535079459793
Energy: 0.6425150689651614
Energy: 0.5603324469894871
Energy: 0.8374321330446269
Energy: 0.6433444305881849
Energy: 0.7532839071509297
Energy: 0.5756328825971688
Energy: 0.5735999732276317
Energy: 0.6305178893462902
Energy: 0.6428939724630198
Energy: 0.5970857314639211
Energy: 0.9495809238787106
Energy: 0.5559367316007499
Energy: 0.5555991527761861
Energy: 0.6214353706449748
Energy: 0.5558784801107172
Energy: 0.5852856982305243
Energy: 0.8167589060652026
Energy: 0.5555238230038317
Energy: 0.5845637716923076
Energy: 0.6370894484741436
Energy: 0.549711252624767
Energy: 0.5840102879408269
Energy: 0.72229509894881
Energy: 0.5777090196392951
Energy: 0.5659493354242239
Energy: 0.577925841734521
Energy: 0.5777623565260527
Energy: 0.5661599086768833
Energy: 0.663791864768487
Energy: 0.5668535200474245
Energy: 0.5519724949508567
Energy: 0.5415590104800249
Energy: 0.5661431540383052
Energy: 0.5531025902629272
Energy: 0.6865283396509816
Energy: 0.6494654526308488
Energy: 0.5776543666400908
Energy: 0.5475902015021624
Energy: 0.7299844413869477
Energy: 0.5469763843572094
Energy: 0.6870825509772764
Energy: 0.5375121400497267
Energy: 0.5377381606229509
Energy: 0.5528459154090934
Energy: 0.5373530593293017
Energy: 0.5437387761096525
Energy: 0.6892335137376415
Energy: 0.548689092546201
Energy: 0.5432881882196899
Energy: 0.6907744802609276
Energy: 0.5478937839145797
Energy: 0.5524710272847795
Energy: 0.6875545946310856
Energy: 0.53704068921595
Energy: 0.5372931033726744
Energy: 0.6195190522668875
Energy: 0.5367297869652988
Energy: 0.5375717821506697
Energy: 0.6724254662678572
Energy: 0.5329885845754828
Energy: 0.5323194762399238
Energy: 0.5337413741035211
Energy: 0.6689339304351378
Energy: 0.53273815932459
Energy: 0.6897802085328111
Energy: 0.6679969022859353
Energy: 0.6079721079421152
Energy: 0.5370547045148321
Energy: 0.6721532992532562
Energy: 0.5408093655882528
Energy: 0.699056016987761
Energy: 0.6329317434564861
Energy: 0.5383268563859416
Energy: 0.5352243772567628
Energy: 0.6319659030288833
Energy: 0.5338567367331747
Energy: 0.668752178798281
Energy: 0.53860390430251
Energy: 0.5385675555391978
Energy: 0.6704266778715879
Energy: 0.5349142114299704
Energy: 0.6730921608259606
Energy: 0.6680565231080126
Energy: 0.5343126059519118
Energy: 0.5334988697468906
Energy: 0.612248151369395
Energy: 0.534378375282704
Energy: 0.5325823724100388
Energy: 0.7000464497058269
Energy: 0.6168212298343844
Energy: 0.5417198628185274
Energy: 0.5345325227359291
Energy: 0.6950326446036195
Energy: 0.5418522640915162
Energy: 0.6700413586304718
Energy: 0.620862194296003
Energy: 0.542407496256096
Energy: 0.5359901265697168
Energy: 0.6932556030353918
Energy: 0.5433580374438944
Energy: 0.6705350188846039
Energy: 0.5422157561694531
Energy: 0.542489542879718
Energy: 0.5722806010233438
Energy: 0.5426837592470803
Energy: 0.5430961723481791
Energy: 0.7274555963789487
Energy: 0.5480339874878344
Energy: 0.5477946533081355
Energy: 0.7284588706986668
Energy: 0.5547661576604503
Energy: 0.5769685028452208
Energy: 0.7277536796311357
Energy: 0.5635351814164343
Energy: 0.5594236143758252
Energy: 0.5744003261380172
Energy: 0.560098553289723
Energy: 0.5710183961461206
Energy: 0.825559612493091
Energy: 0.575093568754677
Energy: 0.5658451578046338
Energy: 0.574466573746075
Energy: 0.5716326659912265
Energy: 0.5734760789365191
Energy: 0.6690560860631078
Energy: 0.6206661458496119
Energy: 0.5709195031572057
Energy: 0.5496184500473066
Energy: 0.619359163013374
Energy: 0.5715180119745944
Energy: 0.7382690745469704
Energy: 0.6199843357177616
Energy: 0.6212532315336425
Energy: 0.5856417132684054
Energy: 0.6387787667947067
Energy: 0.6206095936281034
Energy: 0.8957204124545551
Energy: 0.5747728473653803
Energy: 0.5665116887071358
Energy: 0.5653174040381936
Energy: 0.5843847523432428
Energy: 0.566121197698803
Energy: 0.9531798374068203
Energy: 0.5772659953796212
Energy: 0.5776252458327886
Energy: 0.6384112823063193
Energy: 0.5770538538449331
Energy: 0.6503262834478646
Energy: 0.9689353690420018
Energy: 0.6310813299117407
Energy: 0.6320189569783026
Energy: 0.6316378977639395
Energy: 0.6310255986486009
Energy: 0.5989515878667243
Energy: 0.6732677218733281
Energy: 0.6399500016929102
Energy: 0.612814383337389
Energy: 0.5605823397854861
Energy: 0.639485486275718
Energy: 0.590628477862819

minimum gb energy = 0.5323194762399238 eV
minimum distance =  2.71023557627689 Angstroms
sigma value = 43


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

Energy: 0.5633581420321584
Energy: 0.6077534407243351
Energy: 0.5642230123645163
Energy: 0.4805660721190393
Energy: 0.657132184981024
Energy: 0.538642350888043
Energy: 0.7677993763589975
Energy: 0.4574024568232984
Energy: 0.45766681771101236
Energy: 0.5006894693859986
Energy: 0.45719982427939343
Energy: 0.45847756880550933
Energy: 0.7939051640412217
Energy: 0.4606123023482929
Energy: 0.46803799053349976
Energy: 0.4907151214369092
Energy: 0.46054750517274756
Energy: 0.46783460381280995
Energy: 0.7033948133356956
Energy: 0.468288973671522
Energy: 0.4682149170277911
Energy: 0.48644043815352606
Energy: 0.5687096489333402
Energy: 0.4783220218419025
Energy: 0.6296573950110951
Energy: 0.4573545602672779
Energy: 0.45782690079426114
Energy: 0.46460642493784
Energy: 0.45706445535236295
Energy: 0.45794984595489074
Energy: 0.5490977800355024
Energy: 0.4582867916612094
Energy: 0.45563616729904827
Energy: 0.5113524546944653
Energy: 0.4585983007628357
Energy: 0.48870436352994834
Energy: 0.7045140325513612
Energy: 0.4571708029223958
Energy: 0.45888986625300016
Energy: 0.44325389227251333
Energy: 0.4578545654377618
Energy: 0.4439514946635975
Energy: 0.7035151600198871
Energy: 0.44137393112417916
Energy: 0.4421777962393924
Energy: 0.4837459201860741
Energy: 0.4413601899659624
Energy: 0.4417106210642895
Energy: 0.5908470413883656
Energy: 0.44265323631348846
Energy: 0.44312477631231495
Energy: 0.5918670316096636
Energy: 0.4485389623456665
Energy: 0.4430582612558516
Energy: 0.5883173472066338
Energy: 0.43523969017523234
Energy: 0.4350664243122353
Energy: 0.5803639335849827
Energy: 0.43594284346191847
Energy: 0.4353249488715404
Energy: 0.5452315808210982
Energy: 0.4717198582820431
Energy: 0.4340314941339567
Energy: 0.4357392887441129
Energy: 0.5664063246220876
Energy: 0.433760276635519
Energy: 0.5888934039287017
Energy: 0.5669709281423542
Energy: 0.48991926460299906
Energy: 0.43719022919544537
Energy: 0.5662097241549331
Energy: 0.4363890150580071
Energy: 0.5916078571237326
Energy: 0.4927257529320621
Energy: 0.4958190024494589
Energy: 0.4793446301857882
Energy: 0.49267561846219354
Energy: 0.49635574217000955
Energy: 0.5528553249953255
Energy: 0.35642989216816157
Energy: 0.5335323709942857
Energy: 0.5543455464157042
Energy: 0.4370303125438311
Energy: 0.5354745722870716
Energy: 0.5526326411352944
Energy: 0.4291965133946285
Energy: 0.42946348238486065
Energy: 0.5340262088530513
Energy: 0.42963910859577376
Energy: 0.43055172578437045
Energy: 0.5491183631527755
Energy: 0.5462014820961643
Energy: 0.42914480713271475
Energy: 0.4304081462978025
Energy: 0.5474483917617234
Energy: 0.42883621307105096
Energy: 0.5559480863976964
Energy: 0.5441667606999824
Energy: 0.48763217689022975
Energy: 0.43264079352756263
Energy: 0.5472085789797964
Energy: 0.4315049524893747
Energy: 0.5466777855970977
Energy: 0.4872948209861157
Energy: 0.43121044938143066
Energy: 0.48805905395113813
Energy: 0.4872482436082632
Energy: 0.4311140747965904
Energy: 0.5465214632636233
Energy: 0.48479285408369843
Energy: 0.5274496936057812
Energy: 0.5478667269387512
Energy: 0.4842136630720298
Energy: 0.5294692946388198
Energy: 0.546565504137309
Energy: 0.4892461176872663
Energy: 0.435322796746962
Energy: 0.43053021657177326
Energy: 0.48931925938596205
Energy: 0.43485056319592674
Energy: 0.56895986197352
Energy: 0.5485642525853371
Energy: 0.4894657517835558
Energy: 0.435896461782364
Energy: 0.5530949819785664
Energy: 0.4354572117888586
Energy: 0.548235822927632
Energy: 0.5437436365552035
Energy: 0.4295833722013224
Energy: 0.43057746249669776
Energy: 0.5538764410535728
Energy: 0.42950914523148537
Energy: 0.5657498324535463
Energy: 0.42987458934092304
Energy: 0.4299557379076738
Energy: 0.5464027486419053
Energy: 0.4300375097514207
Energy: 0.43051926832298654
Energy: 0.5662171578419805
Energy: 0.43902669829785795
Energy: 0.546509669981061
Energy: 0.5677370645595429
Energy: 0.4440761519504107
Energy: 0.5475090778736165
Energy: 0.6272266381210717
Energy: 0.499403422367814
Energy: 0.5082453022725979
Energy: 0.4774804251882441
Energy: 0.4697231252160114
Energy: 0.5081933181239094
Energy: 0.6279371633635493
Energy: 0.5165529451945492
Energy: 0.44427481058879303
Energy: 0.43390446328109117
Energy: 0.5892754038707572
Energy: 0.43325778837029605
Energy: 0.5475038674279502
Energy: 0.44359501014169883
Energy: 0.4436061700895592
Energy: 0.4427133406304527
Energy: 0.5889951761865468
Energy: 0.4421204470904442
Energy: 0.5918786420252776
Energy: 0.44277401693766666
Energy: 0.44310528144353406
Energy: 0.5237524720422333
Energy: 0.44247783324768475
Energy: 0.4439571010745756
Energy: 0.6271990809848355
Energy: 0.45489865152891906
Energy: 0.4579485975963315
Energy: 0.5390490077738022
Energy: 0.45666480504071666
Energy: 0.457751403792606
Energy: 0.7670981117794093
Energy: 0.451412850634475
Energy: 0.45462454583747947
Energy: 0.4586771449510056
Energy: 0.45074370227416805
Energy: 0.45445178560239596
Energy: 0.7639999294312071
Energy: 0.4611408223730291
Energy: 0.4619769350568599
Energy: 0.4571971406950465
Energy: 0.46110986102175633
Energy: 0.4580331511030268
Energy: 0.5552493787556977
Energy: 0.4910545731536987
Energy: 0.4732873219719229
Energy: 0.49357991686271646
Energy: 0.4997258439280984
Energy: 0.5061108040745078
Energy: 0.643844550002252
Energy: 0.4916713625727768
Energy: 0.4912479109707956
Energy: 0.5579802460928274
Energy: 0.5002302922524648
Energy: 0.49794703594195655
Energy: 0.7662601120780712
Energy: 0.48881710840204157
Energy: 0.4886470930930343
Energy: 0.4580293989262461
Energy: 0.5312811932978342
Energy: 0.5094792843402931
Energy: 0.7940338122354975
Energy: 0.4759422477220205
Energy: 0.4885056187969857
Energy: 0.531333592953451
Energy: 0.47870017718687635
Energy: 0.4881322027722881
Energy: 0.8037757285358453
Energy: 0.4992834432368543
Energy: 0.4910801595700641
Energy: 0.5108553654190273
Energy: 0.500341464791615
Energy: 0.4590004062524932

minimum gb energy = 0.35642989216816157 eV
minimum distance =  2.72525479938829 Angstroms
sigma value = 81


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

Energy: 0.006896208191896374
Energy: 0.03987492065699095
Energy: 0.007408469031912593
Energy: 0.008981313007838373
Energy: 0.007455278150428513
Energy: 0.007441517383546431
Energy: 0.041053520984323286
Energy: 0.007542191629722358
Energy: 0.007633617346384861
Energy: 0.03946128571820605
Energy: 0.008108143237871998
Energy: 0.007583080513371085
Energy: 0.03934508246868578
Energy: 0.007425004521124604
Energy: 0.007437237843751862
Energy: 0.03925373135148688
Energy: 0.007346466745494905
Energy: 0.040263449033613244
Energy: 0.007967278289666318
Energy: 0.007490231960805972
Energy: 0.007551325510637684
Energy: 0.009238853031635241
Energy: 0.0074250374603593225
Energy: 0.04065994095856695
Energy: 0.040126132956239985
Energy: 0.039300652677044176
Energy: 0.03921419154616816
Energy: 0.0410901272162706
Energy: 0.03931974788688464
Energy: 0.039433934476058044
Energy: 0.008140524933765358
Energy: 0.007511581164064894
Energy: 0.007311920133177015
Energy: 0.009670024137123073
Energy: 0.00757981879880706
Energy: 0.007402564417886067
Energy: 0.03947922171318523
Energy: 0.007461636585414406
Energy: 0.007735610224166942
Energy: 0.03935770668445791
Energy: 0.007526879095761473
Energy: 0.007606683189284134
Energy: 0.03934797791491809
Energy: 0.007557166344748896
Energy: 0.007474825685227952
Energy: 0.03952294292033119
Energy: 0.007368916064706202
Energy: 0.04150017976402563
Energy: 0.008646548516315003
Energy: 0.0075490626261879605
Energy: 0.04184084880101933
Energy: 0.00905773363968032
Energy: 0.007551671120395832
Energy: 0.04183213164055768
Energy: 0.007234959474922452
Energy: 0.03916675982374045
Energy: 0.03931673449944142
Energy: 0.007166358916950959
Energy: 0.03924681288961314
Energy: 0.039201230577509766

minimum gb energy = 0.006896208191896374 eV
minimum distance =  2.85693213063126 Angstroms
sigma value = 3


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

Energy: 0.556099441371019
Energy: 0.5770291547652991
Energy: 0.5485341633765749
Energy: 0.5151102162158943
Energy: 0.5515873471011056
Energy: 0.5105051035079267
Energy: 0.5802528344553798
Energy: 0.5606895963059876
Energy: 0.5591009225168174
Energy: 0.5641316845924694
Energy: 0.5649649081178583
Energy: 0.5582238193973781
Energy: 0.5875679380364212
Energy: 0.528324920213154
Energy: 0.5286945781010048
Energy: 0.5656450778221032
Energy: 0.5289905231056149
Energy: 0.5463354182594123
Energy: 0.5692076110986138
Energy: 0.5290906313932832
Energy: 0.5291533842332937
Energy: 0.5621173012846471
Energy: 0.5279430422087924
Energy: 0.5478127635027429
Energy: 0.5362099628240385
Energy: 0.5601853613591243
Energy: 0.5593125855546178
Energy: 0.5361290190958657
Energy: 0.5613950752826172
Energy: 0.5586688237219588
Energy: 0.5314868451111096
Energy: 0.5611334566559008
Energy: 0.5461004403179712
Energy: 0.48417392704886447
Energy: 0.5608087160493552
Energy: 0.5195736528462296
Energy: 0.5683853643688843
Energy: 0.5496812880563188
Energy: 0.552153927592947
Energy: 0.564446754000937
Energy: 0.5584544878859126
Energy: 0.5628216849267857
Energy: 0.5672231075335357
Energy: 0.5338871533701773
Energy: 0.5346405828862113
Energy: 0.562752472787578
Energy: 0.5091623604504334
Energy: 0.5350981724062664
Energy: 0.5691642397903464
Energy: 0.5355736686242459
Energy: 0.5521426496683645
Energy: 0.5672393109916813
Energy: 0.5492425149836176
Energy: 0.5530289621606818
Energy: 0.5617437728616665
Energy: 0.5338448261384847
Energy: 0.5388935985056962
Energy: 0.5614797529582561
Energy: 0.5412850204855264
Energy: 0.5492432444884368
Energy: 0.5415417301492681
Energy: 0.5447799953366073
Energy: 0.5461258951710203
Energy: 0.47908226151449673
Energy: 0.5526823532353048
Energy: 0.5218420283671633
Energy: 0.5053753618686971
Energy: 0.5532842736624226
Energy: 0.5467445502619379
Energy: 0.5058738274953856
Energy: 0.5504999503565615
Energy: 0.505381634669667
Energy: 0.5065326896000709
Energy: 0.5128263043015553
Energy: 0.5313457648359333
Energy: 0.5065428228524639
Energy: 0.46911366128362214
Energy: 0.532216253032353
Energy: 0.5428471460573205
Energy: 0.5310606774171744
Energy: 0.5321235371504395
Energy: 0.5186427864569252
Energy: 0.5046425259683267
Energy: 0.53502714845466
Energy: 0.5419647954217717
Energy: 0.4848608764681046
Energy: 0.4845704019339285
Energy: 0.5419427745007847
Energy: 0.48583858214021935
Energy: 0.4854976068440161
Energy: 0.5413623958057907
Energy: 0.5198007526963376
Energy: 0.5207051053417315
Energy: 0.5213889771106975
Energy: 0.53974355120867
Energy: 0.5206463516441173
Energy: 0.4746461183169836
Energy: 0.5257133513601356
Energy: 0.5242573457820499
Energy: 0.47455990704987805
Energy: 0.5204237271147427
Energy: 0.4742489222379457
Energy: 0.4754492775588893
Energy: 0.5179266707525076
Energy: 0.5184182371326413
Energy: 0.4755494428800394
Energy: 0.4769522469196812
Energy: 0.5185476101828046
Energy: 0.5353541363469906
Energy: 0.536730445305213
Energy: 0.5175498477810908
Energy: 0.47778907521861935
Energy: 0.538217762209665
Energy: 0.5179770147786521
Energy: 0.5407280516841267
Energy: 0.474157401556708
Energy: 0.47383514906349605
Energy: 0.5398509347122811
Energy: 0.4748442917017668
Energy: 0.4745830738913677
Energy: 0.5400817977140002
Energy: 0.5198694735276126
Energy: 0.5253206459993665
Energy: 0.5387449336258352
Energy: 0.5418803287321543
Energy: 0.5238077887303717
Energy: 0.48565083571012135
Energy: 0.519609854967918
Energy: 0.5248561185770765
Energy: 0.4854269697144783
Energy: 0.521363487278393
Energy: 0.4851369771616221
Energy: 0.48579366458096995
Energy: 0.5335585771430705
Energy: 0.5329911044882119
Energy: 0.48575055834096725
Energy: 0.5330715889811857
Energy: 0.5326842643808659
Energy: 0.5420770369398383
Energy: 0.5058838214730643
Energy: 0.5314544694283199
Energy: 0.5073845071917148
Energy: 0.505529353942616
Energy: 0.5213724233128041
Energy: 0.558758978949246
Energy: 0.5052503683469353
Energy: 0.505353719693715
Energy: 0.5594830953551043
Energy: 0.5060722349710671
Energy: 0.5059873757475936
Energy: 0.5571657659737139
Energy: 0.5329058677321831
Energy: 0.5332825445947684
Energy: 0.5569487898851093
Energy: 0.5107748863741948
Energy: 0.5467021321726547
Energy: 0.5356090724177045
Energy: 0.5328284801061572
Energy: 0.5333681405012117
Energy: 0.5351538131930152
Energy: 0.5551970064079614
Energy: 0.546644405624886
Energy: 0.514159251473853
Energy: 0.5641237519602448
Energy: 0.5641229387584976
Energy: 0.5139977901291515
Energy: 0.5656596257839842
Energy: 0.5638593462696141
Energy: 0.5395458820967719
Energy: 0.5604878260067868
Energy: 0.5504914073429816
Energy: 0.4801165027075819
Energy: 0.5603435634160565
Energy: 0.5220776086790759
Energy: 0.55216213152045
Energy: 0.5593595253082724
Energy: 0.5626972819216367
Energy: 0.5511176507331415
Energy: 0.5624237594030878
Energy: 0.5625363728116498
Energy: 0.5583448617885951
Energy: 0.5335918491929007
Energy: 0.5337845199482473
Energy: 0.5581645830780303
Energy: 0.506749392345301
Energy: 0.5340084264674356
Energy: 0.5891668449716623
Energy: 0.5357821787701275
Energy: 0.5607998058363731
Energy: 0.5616069727634023
Energy: 0.5453673601022901
Energy: 0.559293422845518
Energy: 0.5251239364026256
Energy: 0.5978455004677081
Energy: 0.5591451434578805
Energy: 0.5251312445454838
Energy: 0.5960007740950782
Energy: 0.5534965657201386

minimum gb energy = 0.46911366128362214 eV
minimum distance =  2.64705310128316 Angstroms
sigma value = 67


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

Energy: 0.696285804557781
Energy: 0.6880488110461919
Energy: 0.6810181093392849
Energy: 0.6404221562738982
Energy: 0.679690102321452
Energy: 0.6787507281547078
Energy: 0.7039442709165231
Energy: 0.6901065116050479
Energy: 0.6752533560339001
Energy: 0.689302669108813
Energy: 0.6850700688369656
Energy: 0.6803993967309901
Energy: 0.7282627318318747
Energy: 0.6615972033322117
Energy: 0.6643932181268651
Energy: 0.6808559895282037
Energy: 0.6624922199343969
Energy: 0.6644076297969496
Energy: 0.6987541052645645
Energy: 0.6649655835402791
Energy: 0.6647032089641589
Energy: 0.6869072005973957
Energy: 0.669930044034315
Energy: 0.6652122548087288
Energy: 0.6951579016918078
Energy: 0.688073342978733
Energy: 0.675500467140179
Energy: 0.6867469064141747
Energy: 0.6851386898114703
Energy: 0.6741148658667787
Energy: 0.6601740066083873
Energy: 0.6729487934986634
Energy: 0.6709823345068529
Energy: 0.657194473482028
Energy: 0.6720206167432387
Energy: 0.6709965859717933
Energy: 0.6927410540478193
Energy: 0.6892149880056088
Energy: 0.6761074583810325
Energy: 0.6847832921696756
Energy: 0.6880789334960637
Energy: 0.6822746301161526
Energy: 0.691961481136646
Energy: 0.6662021963213237
Energy: 0.6652926097211325
Energy: 0.6832072789371634
Energy: 0.6391241771309415
Energy: 0.6813323354183021
Energy: 0.6871473198188064
Energy: 0.6804539347397524
Energy: 0.6809444954706149
Energy: 0.6862547866931579
Energy: 0.6842453468417131
Energy: 0.6892993797997711
Energy: 0.6863836851269274
Energy: 0.6686888618504069
Energy: 0.6678376880428196
Energy: 0.6870491176651052
Energy: 0.6662145714363925
Energy: 0.6666639489329027
Energy: 0.6783070002748572
Energy: 0.6743180519670605
Energy: 0.6734587189833083
Energy: 0.6430380382800935
Energy: 0.679409589492544
Energy: 0.6737183031489105
Energy: 0.6405936314012014
Energy: 0.6776926443423716
Energy: 0.6767007398677749
Energy: 0.6406972129477739
Energy: 0.6652209914568434
Energy: 0.6421575730735132
Energy: 0.6406287355708925
Energy: 0.6673408881833807
Energy: 0.6713316546467859
Energy: 0.6407768753109839
Energy: 0.64495533263036
Energy: 0.6564284626203539
Energy: 0.6766442952735832
Energy: 0.6694724647546296
Energy: 0.6710078287187919
Energy: 0.6433121142183926
Energy: 0.679888796405449
Energy: 0.6708621841493285
Energy: 0.6789285204747706
Energy: 0.6459948373249811
Energy: 0.6440755382928142
Energy: 0.6795172928496312
Energy: 0.6445094652476085
Energy: 0.6422307344116477
Energy: 0.6796032603917415
Energy: 0.6750057494285943
Energy: 0.6771359353883396
Energy: 0.6768635843876443
Energy: 0.6842715768507158
Energy: 0.675722124079224
Energy: 0.6614604410813114
Energy: 0.6651790680106308
Energy: 0.6688348948577597
Energy: 0.6614413758277854
Energy: 0.6367630231063387
Energy: 0.6654389107869791
Energy: 0.6605574844103191
Energy: 0.6902130443847616
Energy: 0.6907116532289294
Energy: 0.6606721552399637
Energy: 0.6898564131366008
Energy: 0.6848472236407332
Energy: 0.6652701361438819
Energy: 0.6860602952572913
Energy: 0.675317602253395
Energy: 0.6468158662621888
Energy: 0.680255794766602
Energy: 0.6754812654878692
Energy: 0.6823627232874956
Energy: 0.6904723579585609
Energy: 0.688998553053561
Energy: 0.6829954230758233
Energy: 0.6852561040893843
Energy: 0.6848340096997206
Energy: 0.6851555316403235
Energy: 0.6788140778546797
Energy: 0.6779819287936746
Energy: 0.685864364991979
Energy: 0.6677180556253215
Energy: 0.6782760876999838
Energy: 0.7283192999340572
Energy: 0.6644640560050235
Energy: 0.6779158458911712
Energy: 0.6813443638201049
Energy: 0.6657713760292928
Energy: 0.6779289962350651
Energy: 0.7036007535567117
Energy: 0.6902067559476449
Energy: 0.6817353197467403
Energy: 0.682263548618459
Energy: 0.6863243047079026
Energy: 0.6817984632871141

minimum gb energy = 0.6367630231063387 eV
minimum distance =  2.65815265055004 Angstroms
sigma value = 33


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

Energy: 0.8287122445201862
Energy: 0.8178652779297642
Energy: 0.8113099805395828
Energy: 0.7894255462743026
Energy: 0.8227599687781596
Energy: 0.7935151032559477
Energy: 0.8381481120264086
Energy: 0.8004902864451279
Energy: 0.7989874931298513
Energy: 0.8111452756570456
Energy: 0.8048129092428389
Energy: 0.7979789026923441
Energy: 0.8784003087049022
Energy: 0.7910534958364398
Energy: 0.7890258558123302
Energy: 0.8060315378710565
Energy: 0.7908128831751842
Energy: 0.7848201776130815
Energy: 0.8254119957955891
Energy: 0.7916457965322162
Energy: 0.7874939492206589
Energy: 0.8065745215750598
Energy: 0.7871659157905253
Energy: 0.7831228722585709
Energy: 0.8344574179914654
Energy: 0.800221248846263
Energy: 0.7983617870267621
Energy: 0.8105784704352145
Energy: 0.8099840901527038
Energy: 0.79748196604165
Energy: 0.7817383044120995
Energy: 0.8020456268095006
Energy: 0.805070424602461
Energy: 0.7756119449449526
Energy: 0.8000755003021465
Energy: 0.7892744787876161
Energy: 0.8227829197122153
Energy: 0.8000018545733504
Energy: 0.7976875649039482
Energy: 0.8006717495656238
Energy: 0.8014537035402745
Energy: 0.8016626247546544
Energy: 0.8238676281449924
Energy: 0.7875277276048668
Energy: 0.8031050569052629
Energy: 0.8022210232506575
Energy: 0.7916526511215531
Energy: 0.802110315816945
Energy: 0.7984081954025857
Energy: 0.8020851577772877
Energy: 0.8021241100679087
Energy: 0.8020792804281295
Energy: 0.8026760424291797
Energy: 0.8045956624908919
Energy: 0.7995219867442984
Energy: 0.7899656342510963
Energy: 0.7868604885229038
Energy: 0.7994742074251359
Energy: 0.7870659690892816
Energy: 0.7853346374596462
Energy: 0.7978806993500235
Energy: 0.7935488749373953
Energy: 0.7942502789017959
Energy: 0.7913006610915434
Energy: 0.8007253977092578
Energy: 0.7940716468856575
Energy: 0.7854579868372658
Energy: 0.7884231558597
Energy: 0.7943358303959238
Energy: 0.7855376453041883
Energy: 0.7869189584441469
Energy: 0.7868433915130201
Energy: 0.7847007823207356
Energy: 0.8027461821040647
Energy: 0.805556628625998
Energy: 0.7848891392463336
Energy: 0.8051215919952177
Energy: 0.7870103534125563
Energy: 0.79075361185217
Energy: 0.8016035734843108
Energy: 0.8020087029582473
Energy: 0.7722172977268857
Energy: 0.7975354298755918
Energy: 0.7861978315428478
Energy: 0.8004419860074377
Energy: 0.8066590299906544
Energy: 0.8046360647388278
Energy: 0.8004457703877541
Energy: 0.805381951242845
Energy: 0.805998123882948
Energy: 0.8109906322439621
Energy: 0.7947005580454809
Energy: 0.7937522923391787
Energy: 0.8090140308026225
Energy: 0.7891992192920159
Energy: 0.8090183392138156
Energy: 0.8777354070141759
Energy: 0.7880013176922166
Energy: 0.7942440554733956
Energy: 0.8046401352780049
Energy: 0.7962411584849055
Energy: 0.8006217011252521
Energy: 0.8825059311417169
Energy: 0.8191738996551554
Energy: 0.805275565669863
Energy: 0.8022603692707118
Energy: 0.8147478350699193
Energy: 0.828486793552478
Energy: 0.7625284792591092
Energy: 0.8042336512114486
Energy: 0.7869004443595249
Energy: 0.7832393654504584
Energy: 0.803741135470368
Energy: 0.786535747322569
Energy: 0.8384290520785238
Energy: 0.8014880272107019
Energy: 0.7988463745829069
Energy: 0.8000449758304842
Energy: 0.806217810586389
Energy: 0.7979838604473792
Energy: 0.8791444227003177
Energy: 0.788935528990456
Energy: 0.7872379001073101
Energy: 0.8056346832076569
Energy: 0.7935656936518568
Energy: 0.7844587477067338
Energy: 0.8247611001769601
Energy: 0.7918441763535
Energy: 0.789254998199364
Energy: 0.8062242834839122
Energy: 0.7911505232670701
Energy: 0.783695303320087
Energy: 0.8359861826667038
Energy: 0.8003097770981026
Energy: 0.797808501592571
Energy: 0.8108291806745003
Energy: 0.8041054250422429
Energy: 0.797653027642596
Energy: 0.7787773772251595
Energy: 0.8021734959354828
Energy: 0.8031011013996278
Energy: 0.774893858113538
Energy: 0.8000523468674439
Energy: 0.7875337338537413
Energy: 0.8225846641169167
Energy: 0.7995533447247182
Energy: 0.7985346560052686
Energy: 0.8002336983753573
Energy: 0.8011201225567985
Energy: 0.8149812678764495
Energy: 0.8228608609265722
Energy: 0.7885647443143833
Energy: 0.8040447652672496
Energy: 0.8026774589442173
Energy: 0.7883698219351248
Energy: 0.8033410419767677
Energy: 0.7970390805182442
Energy: 0.8051048865841395
Energy: 0.8030561168123672
Energy: 0.798934918072127
Energy: 0.8045242549628245
Energy: 0.8040180383939491
Energy: 0.7995016436649605
Energy: 0.7876835590093759
Energy: 0.7864596730090931
Energy: 0.7994132559355838
Energy: 0.7875100532469589
Energy: 0.7851158293351417
Energy: 0.7973046341956092
Energy: 0.8046716746157071
Energy: 0.7947389148033226
Energy: 0.7892596392596158
Energy: 0.8016617776956857
Energy: 0.7946841538778863
Energy: 0.7845417806947959
Energy: 0.7867814974386027
Energy: 0.7951458970204947
Energy: 0.7846030352686495
Energy: 0.7867409078944991
Energy: 0.792958649095602
Energy: 0.785164483628489
Energy: 0.804486708939469
Energy: 0.7963273070585561
Energy: 0.785427901930906
Energy: 0.8033175773605555
Energy: 0.7868110939769773
Energy: 0.7912992216206515
Energy: 0.8016716204679524
Energy: 0.8020929146146792
Energy: 0.7664604766974211
Energy: 0.7996668541815329
Energy: 0.7854700639097049
Energy: 0.7927595049476477
Energy: 0.800804604248081
Energy: 0.8034380272167181
Energy: 0.7961396252842189
Energy: 0.8041351641022568
Energy: 0.8054506085745972
Energy: 0.8131572956929731
Energy: 0.7951705645444972
Energy: 0.8118505055126112
Energy: 0.8141794973213892
Energy: 0.7972238417069731
Energy: 0.8072673707385216
Energy: 0.878699090527779
Energy: 0.7877901506631279
Energy: 0.7963766549080213
Energy: 0.8042082236788769
Energy: 0.7576102433641375
Energy: 0.802041540638845
Energy: 0.8822571222481493
Energy: 0.8057140035684074
Energy: 0.8125698777569045
Energy: 0.8031143996030801
Energy: 0.8122559767980426
Energy: 0.806496437659416
Energy: 0.7627019582162575
Energy: 0.8033712149765755
Energy: 0.7872682976769938
Energy: 0.7831142252893071
Energy: 0.8054492801175883
Energy: 0.7851485179087816

minimum gb energy = 0.7576102433641375 eV
minimum distance =  2.68130684575033 Angstroms
sigma value = 41


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

Energy: 1.0016710161861222
Energy: 1.0232472075294468
Energy: 1.0274884100991282
Energy: 0.9798018344386668
Energy: 0.9950475616213669
Energy: 1.0333116986009478
Energy: 1.0108995409447648
Energy: 0.9897322854971099
Energy: 0.9910631796036206
Energy: 0.9977502375339599
Energy: 0.988953983701718
Energy: 0.9757929745606515
Energy: 1.0973201030568187
Energy: 0.9650381552450045
Energy: 0.9638196760893967
Energy: 0.9970092174039445
Energy: 0.9664464213089597
Energy: 0.9765610778561049
Energy: 1.0150088435283766
Energy: 0.9645385567017737
Energy: 0.9643603788343427
Energy: 0.9868564575351496
Energy: 0.9654703262893968
Energy: 0.9735231009946564
Energy: 0.9948902569107304
Energy: 0.9870051676268898
Energy: 0.9891237986170573
Energy: 0.9967026450513922
Energy: 0.9878714694408044
Energy: 0.9767920953777637
Energy: 0.967113427600492
Energy: 0.986780658799048
Energy: 0.9731950865681029
Energy: 0.9646364059082617
Energy: 0.9839815324594257
Energy: 0.9735588741394623
Energy: 1.0068853019633024
Energy: 0.9959369715023946
Energy: 0.9954499110076442
Energy: 0.9801954642849597
Energy: 0.9951994863405127
Energy: 0.9731168579000385
Energy: 1.0088305650569616
Energy: 0.9765701614644867
Energy: 0.976538461741046
Energy: 0.9808983231938562
Energy: 0.9746208363524771
Energy: 0.9764252306209827
Energy: 0.9633890393277202
Energy: 0.9763889591149935
Energy: 0.9752738725705444
Energy: 0.9674935479537162
Energy: 0.9943135538643951
Energy: 0.9727303092542592
Energy: 0.9811018228132391
Energy: 0.977558671151776
Energy: 0.9736938053550735
Energy: 0.9755122642149254
Energy: 0.9807384286467143
Energy: 0.972987095623875
Energy: 0.9844657309783116
Energy: 0.9893947273240352
Energy: 0.9998955297822095
Energy: 0.9863929545958173
Energy: 0.9868640825323065
Energy: 0.990043847943951
Energy: 1.0950822247159628
Energy: 0.9691882311606969
Energy: 0.9672178572160156
Energy: 0.9871608886931706
Energy: 0.9713206393436364
Energy: 0.9693061267764844
Energy: 1.097774530870792
Energy: 0.9943300530963612
Energy: 0.9927852598202622
Energy: 0.990998227736249
Energy: 0.9936685181172116
Energy: 0.9751306111434722
Energy: 0.9624715865004515
Energy: 0.9876667024034876
Energy: 0.9684618800686409
Energy: 0.9623051249028269
Energy: 0.9867144240282907
Energy: 0.968807059881114

minimum gb energy = 0.9623051249028269 eV
minimum distance =  2.67311405698922 Angstroms
sigma value = 11


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

Energy: 1.1754347787598953
Energy: 1.3483295819492704
Energy: 1.1980794545482674
Energy: 1.1734274429546876
Energy: 1.2010730769800828
Energy: 1.1932786751868398
Energy: 1.265317012915444
Energy: 1.1272061518834622
Energy: 1.1236656799344558
Energy: 1.1237811392841581
Energy: 1.137736969803489
Energy: 1.1231979808169736
Energy: 1.3126261848802903
Energy: 1.1084895351080386
Energy: 1.1076834960978348
Energy: 1.1241280468477497
Energy: 1.1092518435131409
Energy: 1.1275550581127187
Energy: 1.1421281562300596
Energy: 1.108282912035026
Energy: 1.1252852097323758
Energy: 1.1236661919857245
Energy: 1.1083416581814014
Energy: 1.1239729049557767
Energy: 1.1435043166883825
Energy: 1.1166602860370858
Energy: 1.1174797271261652
Energy: 1.1240439335698398
Energy: 1.1163865801732435
Energy: 1.11670101901278
Energy: 1.1407719334606996
Energy: 1.1048969346752109
Energy: 1.1042426664636562
Energy: 1.1173122256873755
Energy: 1.1058675239944689
Energy: 1.1047501371623323
Energy: 1.1493089856498626
Energy: 1.1051830264018625
Energy: 1.1046290654342814
Energy: 1.1169754730698203
Energy: 1.1012755476164653
Energy: 1.1042335033863582
Energy: 1.202606033698086
Energy: 1.1161031304516398
Energy: 1.1154367722326362
Energy: 1.1163817817159236
Energy: 1.1177765480580284
Energy: 1.1170360317549666
Energy: 1.1275713155031837
Energy: 1.1129874484692617
Energy: 1.1131308746674693
Energy: 1.1033525731092155
Energy: 1.1132087351273068
Energy: 1.1134244337860495
Energy: 1.1274095038675023
Energy: 1.1131606620143693
Energy: 1.1133099547463658
Energy: 1.1023349046088577
Energy: 1.1134457935580448
Energy: 1.1131682628153592
Energy: 1.1907661830783707
Energy: 1.129918485396882
Energy: 1.1282070346745159
Energy: 1.1505484792279113
Energy: 1.1298760148880527
Energy: 1.13104199982956
Energy: 1.1558377649337483
Energy: 1.106378915258929
Energy: 1.1072502349124915
Energy: 1.1531319448996002
Energy: 1.100811850468518
Energy: 1.1066143520846918
Energy: 1.1499270770547492
Energy: 1.111848123148094
Energy: 1.1116566260292204
Energy: 1.1526421411876469
Energy: 1.1130651523030084
Energy: 1.1122673899997473
Energy: 1.129852530962006
Energy: 1.1246249111628748
Energy: 1.1129149355108077
Energy: 1.1090088045995137
Energy: 1.125353879120731
Energy: 1.1132125602687477
Energy: 1.1491591740295473
Energy: 1.1134463079389134
Energy: 1.1123911727773912
Energy: 1.1147741361895391
Energy: 1.1129050997013572
Energy: 1.1132045319029122
Energy: 1.1841694803112455
Energy: 1.1133814848265569
Energy: 1.1127945236616328
Energy: 1.1130987214127648
Energy: 1.1124046495976623
Energy: 1.1137968031911065
Energy: 1.138623268915324
Energy: 1.1123409015781827
Energy: 1.1130370874770563
Energy: 1.0931411280137941
Energy: 1.1125146185879116
Energy: 1.1127195873026872
Energy: 1.127887199555948
Energy: 1.1527247631815876
Energy: 1.1318741239545396
Energy: 1.1136391686527582
Energy: 1.118170107838131
Energy: 1.0979040641285605
Energy: 1.1405670133962893
Energy: 1.112395440657679
Energy: 1.1126622197597107
Energy: 1.1461274121570022
Energy: 1.1127038432373415
Energy: 1.112350651127392
Energy: 1.1390231090884895
Energy: 1.1096270008773
Energy: 1.108719044375754
Energy: 1.1137122912815611
Energy: 1.1101458198437653
Energy: 1.1348597470000326
Energy: 1.2424641730716992
Energy: 1.1087223220713702
Energy: 1.1275665559009127
Energy: 1.1386710342782063
Energy: 1.1089929986715017
Energy: 1.1395481783816954
Energy: 1.17573497572625
Energy: 1.1310489881456296
Energy: 1.143895417630524
Energy: 1.1353132530176873
Energy: 1.1348117844240588
Energy: 1.1386894497476967
Energy: 1.134244925714629
Energy: 1.124894487192565
Energy: 1.1212297273432543
Energy: 1.1048791607563508
Energy: 1.1322668377352194
Energy: 1.1145797218811877
Energy: 1.2438698616340087
Energy: 1.1310150562785668
Energy: 1.112387532730145
Energy: 1.1127718977674828
Energy: 1.1477769317576478
Energy: 1.1123832934046505
Energy: 1.182023699606102
Energy: 1.1129554409791054
Energy: 1.110668112194694
Energy: 1.1579238610806333
Energy: 1.1123268688513248
Energy: 1.1132578426482762
Energy: 1.145235748707038
Energy: 1.1126546077625177
Energy: 1.112990361656207
Energy: 1.1130101729294675
Energy: 1.0901684592092504
Energy: 1.1134404810040026
Energy: 1.144765815821872
Energy: 1.112870836226135
Energy: 1.1151026636222168
Energy: 1.112829826536548
Energy: 1.1130519242132513
Energy: 1.1127191438089792
Energy: 1.142648938709751
Energy: 1.112731074820043
Energy: 1.1144253289261399
Energy: 1.1130121559030859
Energy: 1.12023487996434
Energy: 1.1124385408954938
Energy: 1.1449827487666964
Energy: 1.107410778533423
Energy: 1.1067514888672731
Energy: 1.1884964599712706
Energy: 1.1097745444854985
Energy: 1.1065028906558114
Energy: 1.3125014940565776
Energy: 1.1444177129574475
Energy: 1.1137352305435886
Energy: 1.112636101867289
Energy: 1.129571757827974
Energy: 1.1114674950982506
Energy: 1.1476280286701799
Energy: 1.1234465378863925
Energy: 1.1306489326334932
Energy: 1.1045496873584173
Energy: 1.1284222805038147
Energy: 1.111816687980474

minimum gb energy = 1.0901684592092504 eV
minimum distance =  2.65645615049703 Angstroms
sigma value = 57


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

Energy: 1.6276807850972157
Energy: 1.2264528610738854
Energy: 1.2266367339505266
Energy: 1.2321950709306322
Energy: 1.2299738274481808
Energy: 1.2265578545106803
Energy: 1.245847764805634
Energy: 1.2280174224727745
Energy: 1.188215516004747
Energy: 1.2270400665563443
Energy: 1.227410654505772
Energy: 1.188234629482002
Energy: 1.2498735775375458
Energy: 1.1740845351699036
Energy: 1.173698111699076
Energy: 1.1873340879700918
Energy: 1.1749079006403187
Energy: 1.1888317558285733
Energy: 1.227457628430599
Energy: 1.1876195831209673
Energy: 1.1873093697137982
Energy: 1.22458912477423
Energy: 1.176753790185999
Energy: 1.1893330281773749
Energy: 1.2300693828342586
Energy: 1.1903767434511372
Energy: 1.1871492729118647
Energy: 1.1883480620457687
Energy: 1.1877817765512562
Energy: 1.1861619546141795
Energy: 1.2297076543290972
Energy: 1.1880016466736314
Energy: 1.1874368653422478
Energy: 1.1890942362702155
Energy: 1.1885836657246032
Energy: 1.1870343027285934
Energy: 1.2365957464827504
Energy: 1.174691116764749
Energy: 1.1749397296534156
Energy: 1.2346078500322162
Energy: 1.176233589653882
Energy: 1.18739215888899
Energy: 1.3244094847661851
Energy: 1.1881110745629615
Energy: 1.188847392146902
Energy: 1.187150075832006
Energy: 1.1880751465235353
Energy: 1.1881945496271542
Energy: 1.2519286203244244
Energy: 1.1886646923186641
Energy: 1.1772438045685685
Energy: 1.1798669129518022
Energy: 1.1885449718859646
Energy: 1.177526108968577
Energy: 1.2509686612487152
Energy: 1.1885203088388945
Energy: 1.1774290468059867
Energy: 1.1798441891571527
Energy: 1.1879209855437887
Energy: 1.1773595524882317
Energy: 1.3327035647796677
Energy: 1.187931872865114
Energy: 1.1865085640333557
Energy: 1.227138792606899
Energy: 1.1887077726451056
Energy: 1.1873248017212414
Energy: 1.2232463219375886
Energy: 1.173989526909786
Energy: 1.1736277408223548
Energy: 1.187472959067248
Energy: 1.1749180849718677
Energy: 1.1897864157161586
Energy: 1.225375805494156
Energy: 1.1896417971693134
Energy: 1.1876208881911496
Energy: 1.2263972798850176
Energy: 1.1871873246123217
Energy: 1.1869837506027536
Energy: 1.2317428922579399
Energy: 1.1882394276647976
Energy: 1.1873087743554254
Energy: 1.188858178307188
Energy: 1.1890392941323797
Energy: 1.1868676927384008
Energy: 1.2197914334743396
Energy: 1.1760878800296157
Energy: 1.1864121251147008
Energy: 1.188713633875857
Energy: 1.176187054221979
Energy: 1.186073337992629
Energy: 1.3273031179485664
Energy: 1.17543872809079
Energy: 1.1756844907019819
Energy: 1.1887689824296424
Energy: 1.1758844432332083
Energy: 1.1864671315173958
Energy: 1.2425156639971213
Energy: 1.2289022707215667
Energy: 1.1873526957321334
Energy: 1.2207779958130818
Energy: 1.2290726996954229
Energy: 1.1884383643185494

minimum gb energy = 1.1736277408223548 eV
minimum distance =  2.6573630763888 Angstroms
sigma value = 9


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

Energy: 1.340437622774156
Energy: 1.2649631836271922
Energy: 1.2317468130843277
Energy: 1.2509137180391712
Energy: 1.3404358385941333
Energy: 1.2322762374234162
Energy: 1.3558709884805409
Energy: 1.2117178478008568
Energy: 1.212443531315615
Energy: 1.2137248793342783
Energy: 1.2120766014167863
Energy: 1.2110830504672832
Energy: 1.3015416128319817
Energy: 1.2164529380516125
Energy: 1.2297439256792402
Energy: 1.2265763160914949
Energy: 1.2096056216877642
Energy: 1.1992555568525969
Energy: 1.2344844521510465
Energy: 1.2008724662514059
Energy: 1.2001828279573874
Energy: 1.2053354379750274
Energy: 1.2054858105694737
Energy: 1.2005033511162522
Energy: 1.2074731329804773
Energy: 1.1697933798571647
Energy: 1.1703918687781598
Energy: 1.213423471906389
Energy: 1.193504577410838
Energy: 1.1709624534215537
Energy: 1.2055668604015002
Energy: 1.1941711851285581
Energy: 1.1922158411889394
Energy: 1.1960511388589428
Energy: 1.1975348088143443
Energy: 1.1927528716637839
Energy: 1.2034043001439139
Energy: 1.1898316539214575
Energy: 1.2275000910451335
Energy: 1.1857962426235071
Energy: 1.1912096937993342
Energy: 1.2063583351109972
Energy: 1.3160648266065638
Energy: 1.1926403412982345
Energy: 1.194441500925175
Energy: 1.1940490071761798
Energy: 1.1944672192531487
Energy: 1.1941843475852263
Energy: 1.275557015884382
Energy: 1.193253055175515
Energy: 1.1927125245264838
Energy: 1.199823875920949
Energy: 1.1944256339805155
Energy: 1.2266753369178431
Energy: 1.2927504534221166
Energy: 1.1942486888136576
Energy: 1.19285382415319
Energy: 1.1997476574792727
Energy: 1.1969222724094044
Energy: 1.1932667747196917
Energy: 1.3220981000522924
Energy: 1.1844774173293398
Energy: 1.1838424885459218
Energy: 1.194321693655152
Energy: 1.1943683045716231
Energy: 1.1828792058765878
Energy: 1.2838121607103727
Energy: 1.2204241684715225
Energy: 1.212989868453192
Energy: 1.211813139464336
Energy: 1.2134020462831698
Energy: 1.2098746807147704
Energy: 1.2823129978267496
Energy: 1.2013228665321654
Energy: 1.1993097959362287
Energy: 1.1945763215156862
Energy: 1.2096899335687659
Energy: 1.192277283417917
Energy: 1.3259767114861567
Energy: 1.2000679104044574
Energy: 1.199610954327985
Energy: 1.1947900009401395
Energy: 1.20179192288324
Energy: 1.200254843046105
Energy: 1.282197419489157
Energy: 1.191394104033592
Energy: 1.190765394387668
Energy: 1.2121375824805065
Energy: 1.1924550481154204
Energy: 1.2123298893779555
Energy: 1.2437319809550398
Energy: 1.1967357851849887
Energy: 1.1910392026994079
Energy: 1.1917535650338773
Energy: 1.1965206502382995
Energy: 1.1911195665466352
Energy: 1.2530760463024024
Energy: 1.2013048885145674
Energy: 1.2007785862219629
Energy: 1.2171335506636356
Energy: 1.2020958151803784
Energy: 1.2003339625949365
Energy: 1.2507832592537194
Energy: 1.194627408963281
Energy: 1.2288118137463158
Energy: 1.2029525892021837
Energy: 1.2122094166803556
Energy: 1.2299956206455513
Energy: 1.2686440647715869
Energy: 1.2557998467034341
Energy: 1.2541305456577787
Energy: 1.2255088316410554
Energy: 1.2412304353054144
Energy: 1.255500136271348
Energy: 1.2166963337958017
Energy: 1.2278067097321879
Energy: 1.2261862199789373
Energy: 1.208423450370909
Energy: 1.2129037838137258
Energy: 1.2258463831578235
Energy: 1.2819186482616776
Energy: 1.2125790384728976
Energy: 1.2145568082824305
Energy: 1.1926511684435888
Energy: 1.2126725820600999
Energy: 1.2141928997123086

minimum gb energy = 1.1697933798571647 eV
minimum distance =  2.62317242224405 Angstroms
sigma value = 27


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

Energy: 1.8321156589213277
Energy: 1.2357403083942058
Energy: 1.187205222561307
Energy: 1.1868922885099398
Energy: 1.192649474055288
Energy: 1.20415254693884
Energy: 1.323022633013483
Energy: 1.2016403955106023
Energy: 1.1907017258329453
Energy: 1.2046573273964472
Energy: 1.1965014402314438
Energy: 1.2048714735454218
Energy: 1.3571262739854906
Energy: 1.2056006571907198
Energy: 1.2176809127035477
Energy: 1.1967948386405294
Energy: 1.2316486570272598
Energy: 1.2130579870945972
Energy: 1.3815370259838664
Energy: 1.1819162118946267
Energy: 1.1843063899794457
Energy: 1.2761571883238263
Energy: 1.1818408495635464
Energy: 1.2199260993113603
Energy: 1.2397833583368447
Energy: 1.2349091818347961
Energy: 1.1842037108229204
Energy: 1.235941127854091
Energy: 1.2511504687990336
Energy: 1.2793700570902955
Energy: 1.3525443422735235
Energy: 1.2712293977695048
Energy: 1.2725387251224667
Energy: 1.2722792418015538
Energy: 1.270766717642815
Energy: 1.2706468147498873
Energy: 1.3627755849964989
Energy: 1.2113782891925848
Energy: 1.2142291659161568
Energy: 1.2029960162588478
Energy: 1.2117231782958744
Energy: 1.2119489538326453
Energy: 1.3250278349138638
Energy: 1.2241032939250809
Energy: 1.2786490950869007
Energy: 1.278291380465675
Energy: 1.2389441267666144
Energy: 1.2777883072648066
Energy: 1.32591876458893
Energy: 1.274963386666583
Energy: 1.2720505550016914
Energy: 1.269286065649896
Energy: 1.2802324031181924
Energy: 1.2710513140905915
Energy: 1.3262759737301832
Energy: 1.2415867425252929
Energy: 1.2707813311551959
Energy: 1.2700051542813728
Energy: 1.24132337560634
Energy: 1.2707960744853926
Energy: 1.3255241025977385
Energy: 1.2684573995587283
Energy: 1.2689257410951402
Energy: 1.27897485576272
Energy: 1.194401124135023
Energy: 1.27813283781781
Energy: 1.3512709804477456
Energy: 1.2647523834335581
Energy: 1.2654587873212066
Energy: 1.2436875499923028
Energy: 1.2658470847443524
Energy: 1.2651210353202043
Energy: 1.422429235432665
Energy: 1.2603124370247885
Energy: 1.2587233716019406
Energy: 1.2567714591590113
Energy: 1.2605893584147994
Energy: 1.2557111806034291
Energy: 1.4247209072882745
Energy: 1.2599235746679374
Energy: 1.2585045722640213
Energy: 1.2625526284713557
Energy: 1.2609900991375065
Energy: 1.2595467607264417
Energy: 1.352463846631228
Energy: 1.260514331013518
Energy: 1.2412395918011494
Energy: 1.2619447777235973
Energy: 1.2608190354327462
Energy: 1.2580296125899675
Energy: 1.2877205735010293
Energy: 1.272995743291183
Energy: 1.2715404630559892
Energy: 1.2745961524954819
Energy: 1.2755493650500629
Energy: 1.2725994765221051
Energy: 1.238447752560853
Energy: 1.2595819282326897
Energy: 1.252732970123719
Energy: 1.2376580548964433
Energy: 1.2598032673851847
Energy: 1.2967321283390894
Energy: 1.2858422083788204
Energy: 1.2720748590949194
Energy: 1.2711758140809237
Energy: 1.2702760963867972
Energy: 1.2713179447386707
Energy: 1.2707042787827787
Energy: 1.2932505641018068
Energy: 1.221797047113477
Energy: 1.2221711696826671
Energy: 1.280545766672058
Energy: 1.2261679970001802
Energy: 1.222173628582968
Energy: 1.387296927312243
Energy: 1.2278601801101683
Energy: 1.2260380978736833
Energy: 1.1849711021109357
Energy: 1.2264509031310726
Energy: 1.2255963235230343
Energy: 1.3162291615740433
Energy: 1.2758762397715773
Energy: 1.2727699798719916
Energy: 1.271151368515411
Energy: 1.2790394553343851
Energy: 1.2719815750111403
Energy: 1.239410804322952
Energy: 1.2525336513019873
Energy: 1.237716890505464
Energy: 1.2357588857158697
Energy: 1.2681774885496464
Energy: 1.1997281209501431
Energy: 1.3573824325052337
Energy: 1.2175688568205234
Energy: 1.2320881758837754
Energy: 1.1912881240223938
Energy: 1.1993841999172385
Energy: 1.1993078812847933
Energy: 1.3582450309359038
Energy: 1.2143695273811939
Energy: 1.206435463199419
Energy: 1.2195086589268447
Energy: 1.2084347580199666
Energy: 1.2480595717803913
Energy: 1.3329377068390944
Energy: 1.212990751560545
Energy: 1.22009041857502
Energy: 1.211237243407868
Energy: 1.1810138939059094
Energy: 1.226961761778712

minimum gb energy = 1.1810138939059094 eV
minimum distance =  2.53973018412474 Angstroms
sigma value = 19


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

Energy: 1.24886481287183
Energy: 1.1418458035807555
Energy: 1.1549385614806398
Energy: 1.1518783263769636
Energy: 1.1370850329717896
Energy: 1.1547300640693696
Energy: 1.2523540496159036
Energy: 1.163259693600665
Energy: 1.1765839601703962
Energy: 1.1752783294308524
Energy: 1.1379441097768008
Energy: 1.1768893648630094
Energy: 1.229958516419179
Energy: 1.1666578779801238
Energy: 1.1641631342130276
Energy: 1.1522215283180242
Energy: 1.1671961575737733
Energy: 1.1636326463876538
Energy: 1.211984998760121
Energy: 1.1781526417449901
Energy: 1.175674803028881
Energy: 1.1767933690427115
Energy: 1.1756768157199338
Energy: 1.1750672683288337
Energy: 1.214752908347203
Energy: 1.1564940088478968
Energy: 1.1575862582441845
Energy: 1.170284127829582
Energy: 1.1625230707953809
Energy: 1.15760252095409
Energy: 1.2145681396673247
Energy: 1.1785493085743743
Energy: 1.1764296939803187
Energy: 1.151374012011881
Energy: 1.1761670319400004
Energy: 1.17591769324734
Energy: 1.2143802892596784
Energy: 1.1565850241765294
Energy: 1.1523451492455783
Energy: 1.1374385451871096
Energy: 1.158455629744
Energy: 1.1607857878556254
Energy: 1.2045704870035319
Energy: 1.1607974137529162
Energy: 1.1770111457268806
Energy: 1.1379849083928693
Energy: 1.1605161091284755
Energy: 1.1640076156838859
Energy: 1.205861837091808
Energy: 1.164007849885211
Energy: 1.1678984351738517
Energy: 1.1750129196239694
Energy: 1.1636377655281558
Energy: 1.1678678424097526
Energy: 1.2015768697834375
Energy: 1.1635974221084366
Energy: 1.1617994012007768
Energy: 1.1730348964624409
Energy: 1.1627120221851732
Energy: 1.1617327691411437
Energy: 1.2040900244577686
Energy: 1.1470653523158136
Energy: 1.1480993637752008
Energy: 1.1639802672724473
Energy: 1.1528988792330577
Energy: 1.1478029940764336
Energy: 1.2203649237695595
Energy: 1.1652683858719013
Energy: 1.166353274697316
Energy: 1.1674492640853487
Energy: 1.1370422564744154
Energy: 1.1662727350384412
Energy: 1.2156543475420476
Energy: 1.1703856324106814
Energy: 1.1588032608232088
Energy: 1.159120869036137
Energy: 1.1629589922313488
Energy: 1.1424011031628005
Energy: 1.2481907090089157
Energy: 1.1633971767947568
Energy: 1.1629584084339204
Energy: 1.1478451870238933
Energy: 1.1701639080463366
Energy: 1.161852322548853
Energy: 1.219718574011173
Energy: 1.1474763891529407
Energy: 1.147247151131052
Energy: 1.1470472018995863
Energy: 1.1568835780265136
Energy: 1.1472805422146466
Energy: 1.2196130287378093
Energy: 1.1499042820015315
Energy: 1.1505289773190315
Energy: 1.1504631932568299
Energy: 1.150269964696546
Energy: 1.150770076176258
Energy: 1.2098893572009854
Energy: 1.1499200388547435
Energy: 1.1449804029833008
Energy: 1.1578946926126743
Energy: 1.1624950939129783
Energy: 1.1753474591584994
Energy: 1.2249882247689663
Energy: 1.1500705419371617
Energy: 1.149782053208061
Energy: 1.1493465917810968
Energy: 1.1501344217214675
Energy: 1.1496173955481062
Energy: 1.2198324040160444
Energy: 1.16416437491492
Energy: 1.1655324627187034
Energy: 1.15196384674179
Energy: 1.1593889694463153
Energy: 1.1501820416249795
Energy: 1.1794904954231247
Energy: 1.1640540280898102
Energy: 1.1660861276479644
Energy: 1.1550222225589843
Energy: 1.1634075400924606
Energy: 1.1502310344206002
Energy: 1.1875241354423578
Energy: 1.1521783168084014
Energy: 1.1519710894440711
Energy: 1.149944552424366
Energy: 1.1500700430568114
Energy: 1.150324919003822
Energy: 1.188690022969832
Energy: 1.1695355988892016
Energy: 1.167950847740088
Energy: 1.1433742231376285
Energy: 1.1674284069428695
Energy: 1.1682532547474276
Energy: 1.1792871419836901
Energy: 1.147564456533349
Energy: 1.1476564796038102
Energy: 1.1282786014292612
Energy: 1.1476289884704467
Energy: 1.1497319513833668
Energy: 1.2164836595929205
Energy: 1.1472866330384546
Energy: 1.1486672383603482
Energy: 1.1730898976224045
Energy: 1.1474678975882786
Energy: 1.1492981602625267
Energy: 1.213470474737392
Energy: 1.168720122798288
Energy: 1.170172595570219
Energy: 1.1697105507767525
Energy: 1.1482605595215232
Energy: 1.1696799517306604
Energy: 1.2168683870219208
Energy: 1.1489710523854648
Energy: 1.1478422534666792
Energy: 1.1659959401475823
Energy: 1.14793705394183
Energy: 1.1484939561045937
Energy: 1.2163235265005952
Energy: 1.1621636819816392
Energy: 1.1618558402136208
Energy: 1.1621588230820903
Energy: 1.1623812383374674
Energy: 1.1617728447766538
Energy: 1.2304198012240988
Energy: 1.1675050588707105
Energy: 1.1783569234980031
Energy: 1.1758885307727982
Energy: 1.167943340259924
Energy: 1.1772293315594302
Energy: 1.2239744106758943
Energy: 1.163443062578815
Energy: 1.162879259532633
Energy: 1.1500576850955253
Energy: 1.1667108649795443
Energy: 1.1480230907948297

minimum gb energy = 1.1282786014292612 eV
minimum distance =  2.62292337698559 Angstroms
sigma value = 101


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

Energy: 1.8132895688706379
Energy: 1.10946111787193
Energy: 1.1088058776122727
Energy: 1.0711305686725376
Energy: 1.0843055401872082
Energy: 1.0709760641929864
Energy: 1.2254095682082662
Energy: 1.1123616977786435
Energy: 1.1101242049787996
Energy: 1.1084238497597951
Energy: 1.0947625397152148
Energy: 1.1095797759131922
Energy: 1.2029100461465516
Energy: 1.1094886743052454
Energy: 1.0972988480524661
Energy: 1.101166521736865
Energy: 1.1081891339991952
Energy: 1.0947985836948841
Energy: 1.1681180954385846
Energy: 1.1098783670848185
Energy: 1.1075344403169123
Energy: 1.1092830305584893
Energy: 1.1098409197222392
Energy: 1.107092961357939
Energy: 1.1832591782775825
Energy: 1.0960799197744402
Energy: 1.0980163209540938
Energy: 1.1044700999354538
Energy: 1.1022132252426935
Energy: 1.1133143521284252
Energy: 1.1653836822404793
Energy: 1.1105800084903363
Energy: 1.1085958558332139
Energy: 1.1072060433220927
Energy: 1.1134601601821528
Energy: 1.108305937131581
Energy: 1.1431050101688816
Energy: 1.105699156543589
Energy: 1.092681896449498
Energy: 1.1046576870847085
Energy: 1.1044158855417714
Energy: 1.0915255047880954
Energy: 1.1706935396288543
Energy: 1.1114618361025064
Energy: 1.1106074211875419
Energy: 1.0932946419634435
Energy: 1.1037598609344317
Energy: 1.110262793198991
Energy: 1.1477371060323183
Energy: 1.096534803022944
Energy: 1.1049560815253172
Energy: 1.1056048827934355
Energy: 1.0932562314476202
Energy: 1.1056240966607824
Energy: 1.147662222204598
Energy: 1.109010663754795
Energy: 1.1071171730066371
Energy: 1.1056373016798868
Energy: 1.108152283814445
Energy: 1.1070198349231326
Energy: 1.1697740987740644
Energy: 1.0700192541914588
Energy: 1.0693236004422109
Energy: 1.0940496183011454
Energy: 1.1002915094041472
Energy: 1.069405345078676
Energy: 1.1848871937752414
Energy: 1.1106270244926388
Energy: 1.108482890235175
Energy: 1.10933115053276
Energy: 1.1075359764678392
Energy: 1.107978459100461
Energy: 1.1658896819728135
Energy: 1.0984497954083183
Energy: 1.1000497675111218
Energy: 1.1030391560506574
Energy: 1.0975585721430223
Energy: 1.1023805577341552
Energy: 1.1638377632472545
Energy: 1.1105293705257693
Energy: 1.110262133722738
Energy: 1.1055450472989121
Energy: 1.1096409993232328
Energy: 1.1107755216058648
Energy: 1.1851194741291518
Energy: 1.1096391557799947
Energy: 1.1096587214042781
Energy: 1.1024512326294342
Energy: 1.1146937486834227
Energy: 1.1165711850940259
Energy: 1.2025143042544144
Energy: 1.109932313081666
Energy: 1.1079553549955086
Energy: 1.1087172218518422
Energy: 1.1068370582494886
Energy: 1.1076165981581894
Energy: 1.1597489454683287
Energy: 1.1173907363561872
Energy: 1.1052024227994066
Energy: 1.1006387735119456
Energy: 1.1163716458822213
Energy: 1.068492989481629
Energy: 1.2257094342234547
Energy: 1.0946568210891174
Energy: 1.0968804319530523
Energy: 1.1055266283753964
Energy: 1.0942902939913108
Energy: 1.1047745784352487
Energy: 1.2024599001885639
Energy: 1.113403167761354
Energy: 1.1111423704778012
Energy: 1.09309625820947
Energy: 1.1088047905247624
Energy: 1.1108411816583252
Energy: 1.168713935061792
Energy: 1.1119708031418682
Energy: 1.1095133158894186
Energy: 1.0946989637503721
Energy: 1.108648932523926
Energy: 1.109045830766805
Energy: 1.1624021760734564
Energy: 1.0937740924789658
Energy: 1.0944860310041156
Energy: 1.10596946774179
Energy: 1.0943097068969596
Energy: 1.1046733219407485
Energy: 1.1680135186554699
Energy: 1.1103610349706075
Energy: 1.1083809218902683
Energy: 1.1046047861895631
Energy: 1.1140812667285722
Energy: 1.1081524794182704
Energy: 1.1587980976336834
Energy: 1.1023769124637317
Energy: 1.1021060628523576
Energy: 1.1103805787534715
Energy: 1.1054527250044575
Energy: 1.1024065062803385
Energy: 1.1686313237232413
Energy: 1.104719341052047
Energy: 1.1059371430628804
Energy: 1.0942739069738077
Energy: 1.1054445457750928
Energy: 1.094160144869974
Energy: 1.1470406012646368
Energy: 1.11122504177937
Energy: 1.1098941935125533
Energy: 1.1083394814842553
Energy: 1.0966005078887953
Energy: 1.1102544658227214
Energy: 1.147687955429264
Energy: 1.1108987910434098
Energy: 1.1087408231113063
Energy: 1.1049801457151587
Energy: 1.108215745534094
Energy: 1.1087759183812507
Energy: 1.167376697183479
Energy: 1.106699843527488
Energy: 1.10678651150973
Energy: 1.1032182336186158
Energy: 1.0985641251570655
Energy: 1.1072116582988425
Energy: 1.1848621939136783
Energy: 1.1092581397443486
Energy: 1.1097259980664753
Energy: 1.1023119657523195
Energy: 1.103200163078937
Energy: 1.1109995050885206
Energy: 1.1665756576909396
Energy: 1.1025361544213845
Energy: 1.1098208439516402
Energy: 1.1027715187365739
Energy: 1.1022455998325587
Energy: 1.109553575743524
Energy: 1.1679228193264704
Energy: 1.1132913778781701
Energy: 1.1094174594643431
Energy: 1.105749796115193
Energy: 1.1011844046779138
Energy: 1.1087640016748952
Energy: 1.1837632423496847
Energy: 1.1092860260625217
Energy: 1.1103140231848707
Energy: 1.1183584447167254
Energy: 1.1072798934958772
Energy: 1.109773606441608
Energy: 1.2023941425673743
Energy: 1.111939478134754
Energy: 1.1093804569950434
Energy: 1.0950119234562847
Energy: 1.1063698413362775
Energy: 1.1083580172354042
Energy: 1.1606012696198624
Energy: 1.0943264826364258
Energy: 1.1058238363703932
Energy: 1.103051637925078
Energy: 1.0947289623877792
Energy: 1.1052055911170746

minimum gb energy = 1.068492989481629 eV
minimum distance =  2.62719123062883 Angstroms
sigma value = 33


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

Energy: 0.01021430475535534
Energy: 0.011212922171760311
Energy: 0.010985522799206058
Energy: 0.01187278723548179
Energy: 1.3375214316753483
Energy: 0.010820589851332928
Energy: 0.010992395478104345
Energy: 0.118224678037254
Energy: 0.11929365151125733
Energy: 0.12057284482894391
Energy: 0.11940358112159893
Energy: 0.11916627311998038
Energy: 1.7281137757925131
Energy: 1.3378222986002763
Energy: 1.3303527943558378
Energy: 1.3336619678939319
Energy: 1.3386003428915194
Energy: 1.3360342178860363
Energy: 0.010992395478802265
Energy: 0.118224678037254
Energy: 0.11929365151125733
Energy: 0.12057284482861433
Energy: 0.1194035811219479
Energy: 0.1191662731196508

minimum gb energy = 0.01021430475535534 eV
minimum distance =  2.84234648192485 Angstroms
sigma value = 1