Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19, 5.08309763256108e-19, 4.97076902875134e-19, 4.82684550171912e-19, 4.64257916704278e-19, 4.4051045463513e-19, 4.0974385673242797e-19, 3.6964297776004196e-19, 3.1709478851811e-19, 2.4833737826999997e-19, 1.5840928663320418e-19, 4.12278500167416e-20, -1.1152302939816479e-19, -3.07430459061822e-19, -5.54157649814652e-19, -8.579015004416399e-19, -1.239825162101292e-18, -1.7681461115160597e-18, -2.4845754151755e-18, -3.44017764675846e-18, -4.86518558857074e-18, -7.24412949826662e-18, -1.109126001006108e-17, -2.01959171245602e-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: 0.012757860942141257
Energy: 0.31686022733790115
Energy: 0.41388555091286644
Energy: 0.4202575398542659
Energy: 0.41155232557246063
Energy: 0.18184421531057565
Energy: 0.013986432231765787
Energy: 0.07070094345281219
Energy: 0.3219192445409508
Energy: 0.1562753094987671
Energy: 0.2671969733534895
Energy: 0.2684336405307204
Energy: 0.013353241375273169
Energy: 0.07158740151987472
Energy: 0.013101973180901092
Energy: 0.3241911806892875
Energy: 0.2051378305832571
Energy: 0.26698657326409975
Energy: 0.31991140206425667
Energy: 0.07082597894781553
Energy: 0.07177771124906802
Energy: 0.01437937518759202
Energy: 0.2652036891924044
Energy: 0.2685041372233956
Energy: 0.4188288707775207
Energy: 0.3210998456243106
Energy: 0.07095129856318724
Energy: 0.013309182226425987
Energy: 0.07116290243556504
Energy: 0.4113176343072881
Energy: 0.1566235455610063
Energy: 0.3175187536486381
Energy: 0.2678721059404374
Energy: 0.013392657379792321
Energy: 0.0713948409533297
Energy: 0.013003422137965329
Energy: 0.3243012287307577
Energy: 0.20568073587481553
Energy: 0.26701671085885476
Energy: 0.31988938514677323
Energy: 0.07077514391851984
Energy: 0.07206981881925394

minimum gb energy = 0.012757860942141257 eV
minimum distance =  2.82407394159368 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.5857214586771823
Energy: 0.676933579437968
Energy: 0.6101758036125247
Energy: 0.5317571993364069
Energy: 0.6549723295628676
Energy: 0.5655581000411957
Energy: 0.6289745281858232
Energy: 0.5299986227453126
Energy: 0.5994063398944964
Energy: 0.5921462057895756
Energy: 0.6051007042697021
Energy: 0.6238873191425781
Energy: 0.5719295452780642
Energy: 0.5800542672578356
Energy: 0.5725389003105749
Energy: 0.6051678024541006
Energy: 0.5893582922525739
Energy: 0.5981917490442806
Energy: 0.6280943820758285
Energy: 0.5776384592958584
Energy: 0.6170969351906764
Energy: 0.5822169842645855
Energy: 0.6051154192663567
Energy: 0.5364368885883202
Energy: 0.6223447315315133
Energy: 0.6112328556269234
Energy: 0.56652520720486
Energy: 0.5895275335511792
Energy: 0.6051183708299728
Energy: 0.6022312842392651
Energy: 0.5677992751096915
Energy: 0.5992506938826505
Energy: 0.5727154548454286
Energy: 0.6178343116124494
Energy: 0.6225893652283938
Energy: 0.6293391791163929
Energy: 0.5809822819048951
Energy: 0.5682618278507912
Energy: 0.5869914235025067
Energy: 0.590502035761842
Energy: 0.5736113632856757
Energy: 0.6057049198831694
Energy: 0.6119673487365148
Energy: 0.6242934294689338
Energy: 0.5709461189084737
Energy: 0.5935564828263991
Energy: 0.6218941799074135
Energy: 0.5825279327963869
Energy: 0.6319835256094806
Energy: 0.5343167794257069
Energy: 0.6477008638886965
Energy: 0.5697301255151858
Energy: 0.592711453762381
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Energy: 0.5803768904515768
Energy: 0.628274951728891
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Energy: 0.5594190587653605
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Energy: 0.5959595024504584
Energy: 0.5282033731917666
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Energy: 0.6081583389578549
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Energy: 0.5652243776745249
Energy: 0.5474045224082836
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Energy: 0.6268579941390815
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Energy: 0.5606397060707479
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Energy: 0.6196830702628201
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Energy: 0.5821326730045451
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Energy: 0.6178870087928228
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Energy: 0.6022431430838541
Energy: 0.5281456561824404
Energy: 0.5826637804662537
Energy: 0.5904806631207205
Energy: 0.545879194330855
Energy: 0.5705609695569389
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Energy: 0.6458749129786818
Energy: 0.5871909287447271
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Energy: 0.5988945069753332
Energy: 0.5782179932967841
Energy: 0.5842592889218039
Energy: 0.585532872885514
Energy: 0.5993658543272522
Energy: 0.5343855752072986
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Energy: 0.6093338084943597
Energy: 0.5934258298416849
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Energy: 0.6444242424089199
Energy: 0.5993669683085089
Energy: 0.5605659343355537
Energy: 0.5811017603551855
Energy: 0.5686178821231035
Energy: 0.6181071641801721
Energy: 0.6195288612084352
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Energy: 0.5722665846694098
Energy: 0.5604931617136697
Energy: 0.590106566367311
Energy: 0.5682224518533926
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Energy: 0.6126502487265225
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Energy: 0.5668534571894316
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Energy: 0.5883204555792904
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Energy: 0.5573694344760584
Energy: 0.6028772317252373
Energy: 0.5515193466159075
Energy: 0.6119986253060407
Energy: 0.5719516367147285
Energy: 0.5760406418569969
Energy: 0.5379716393038926
Energy: 0.5805582646531822
Energy: 0.638771898844839
Energy: 0.6088376128108178
Energy: 0.641908625355573
Energy: 0.5763458911372707
Energy: 0.5939524556521989
Energy: 0.5973179604849163
Energy: 0.6283935704036449
Energy: 0.64158288233392
Energy: 0.6292409391290609
Energy: 0.557940674766869
Energy: 0.5459767749025743
Energy: 0.5820356198698562
Energy: 0.5848259313903723
Energy: 0.5607784692879437
Energy: 0.603444310807856
Energy: 0.5861421058287962
Energy: 0.6540147237485491
Energy: 0.6007502356387737
Energy: 0.5831170648951055
Energy: 0.5714114787201867
Energy: 0.5983137634570125
Energy: 0.6312191341790248
Energy: 0.5390282337560062
Energy: 0.5902913666543556
Energy: 0.5531422627429791
Energy: 0.5813766098275174
Energy: 0.6062537665607075
Energy: 0.582470642494368
Energy: 0.5990848771687501
Energy: 0.5691652312447724
Energy: 0.5919733052520704
Energy: 0.592276942894055
Energy: 0.617222248308179
Energy: 0.6534628938984063
Energy: 0.624705470444198
Energy: 0.5817008743655618
Energy: 0.5369620704899207
Energy: 0.6047783756121489
Energy: 0.6226400305683946
Energy: 0.6055664382334215
Energy: 0.5956737051716897
Energy: 0.5692540716130758
Energy: 0.6056884915825937
Energy: 0.5702790314283073
Energy: 0.6398084731992005
Energy: 0.5744192979102657
Energy: 0.5300135069399359
Energy: 0.6239659686953815
Energy: 0.5663977752665665
Energy: 0.6069350379957581

minimum gb energy = 0.5281456561824404 eV
minimum distance =  2.54002452556581 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.5600382622135796
Energy: 0.6714367825163661
Energy: 0.5778236606179022
Energy: 0.5453377817634595
Energy: 0.6927957903747649
Energy: 0.5711453644022072
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Energy: 0.5434226639551958
Energy: 0.5794212406503387
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Energy: 0.6266559280042088
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Energy: 0.6094875029568978
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Energy: 0.5604139042814106
Energy: 0.5878572927486827
Energy: 0.5879379113712146
Energy: 0.596699162055237
Energy: 0.5811150229745591
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Energy: 0.6078086334712
Energy: 0.5882013504543047
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Energy: 0.5578633315769812
Energy: 0.5591218574232607
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Energy: 0.5926167769585893
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Energy: 0.5493959450139653
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Energy: 0.5465507940748643
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Energy: 0.5888298020202812
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Energy: 0.5599258473269795
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Energy: 0.68614362227464
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Energy: 0.5246031691897579
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Energy: 0.5508068817860616
Energy: 0.5406968394633782
Energy: 0.5835261694709506
Energy: 0.595499423069742
Energy: 0.5795658740440769
Energy: 0.5845402480847837
Energy: 0.6075265863977409
Energy: 0.5673513625932649
Energy: 0.5745402345558951
Energy: 0.5990928150963636
Energy: 0.6047281995637983
Energy: 0.6347406935781145
Energy: 0.6056771469054901
Energy: 0.6014257243040546
Energy: 0.5730751823390026
Energy: 0.5684097082575582
Energy: 0.6018019954667793
Energy: 0.6419125689783637
Energy: 0.5498737309056634
Energy: 0.5657382817151085
Energy: 0.5453428592270063
Energy: 0.6181975566381634
Energy: 0.6173712671179474
Energy: 0.5952743957828329
Energy: 0.586768941358582
Energy: 0.550849061701573
Energy: 0.5632231186581592
Energy: 0.5627131251080547
Energy: 0.5794698104385863
Energy: 0.5883170880345087
Energy: 0.5614751291076614
Energy: 0.5704755576800473
Energy: 0.5458968557432317
Energy: 0.5823338954162303
Energy: 0.5433699437150596
Energy: 0.6311282560266291
Energy: 0.5959012509762408
Energy: 0.5227813193117684
Energy: 0.5498841082765052
Energy: 0.5343591208845935
Energy: 0.5817499952448172
Energy: 0.5909393526635237
Energy: 0.671210847978151
Energy: 0.6020437561600205
Energy: 0.5472839348216272
Energy: 0.5598111626384866
Energy: 0.5413200680078091
Energy: 0.6246234121350444
Energy: 0.5509801391813066
Energy: 0.5679336605414019
Energy: 0.6331627279131081
Energy: 0.5721192739241374
Energy: 0.5649385963157407
Energy: 0.5827652749576472
Energy: 0.638765838055906
Energy: 0.5757702440077948
Energy: 0.6013703766984492
Energy: 0.5753620173598674
Energy: 0.6241657066343671
Energy: 0.5552516375096276
Energy: 0.5560167003799605
Energy: 0.5775038063466638
Energy: 0.5626588381738595
Energy: 0.5787682314592829
Energy: 0.557233486470661
Energy: 0.6430389952129885
Energy: 0.5962987907425187
Energy: 0.6160897556911318
Energy: 0.5811699802684878
Energy: 0.5609450331995777
Energy: 0.5507783307365618
Energy: 0.5404463077480708
Energy: 0.6750764240552745
Energy: 0.5814575963773754
Energy: 0.5668458210760094
Energy: 0.5735317000799772
Energy: 0.5281211931454483
Energy: 0.5637994652624633
Energy: 0.5756699349191562
Energy: 0.5971278225703701
Energy: 0.6112170648347264
Energy: 0.6072782918559285
Energy: 0.6012445489950157
Energy: 0.5808066104250931
Energy: 0.5713610151662365
Energy: 0.5706911085523572
Energy: 0.6082241765096411
Energy: 0.579394913671603
Energy: 0.5413490970215166
Energy: 0.620440194620481
Energy: 0.5912814920124533
Energy: 0.6192705093225802
Energy: 0.6114366846777457
Energy: 0.5799462178759582
Energy: 0.596809657550243
Energy: 0.5774013211546805
Energy: 0.5837921708268681
Energy: 0.5799625951237342
Energy: 0.5957358332938857
Energy: 0.6285522349775988
Energy: 0.5832968825440291
Energy: 0.5775772860870011
Energy: 0.5569848581936829
Energy: 0.5622840926602738
Energy: 0.5185312577077809
Energy: 0.5471160540888653
Energy: 0.6374631586053812
Energy: 0.5554571410275166
Energy: 0.5723751604785721

minimum gb energy = 0.5112816309367352 eV
minimum distance =  2.58688909959528 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5612842262376513
Energy: 0.6309504939742073
Energy: 0.6193170314898864
Energy: 0.5552553618819044
Energy: 0.6006922920675944
Energy: 0.5508003001861559
Energy: 0.5951769944618873
Energy: 0.5706374197925353
Energy: 0.5788021388605895
Energy: 0.5715242034376068
Energy: 0.5195806528688621
Energy: 0.587775324513168
Energy: 0.568691732162922
Energy: 0.5790471025670977
Energy: 0.5742201425448772
Energy: 0.5765918793633038
Energy: 0.5761997989435605
Energy: 0.5840311574854424
Energy: 0.5932735427105812
Energy: 0.5565102803625195
Energy: 0.5962928700271588
Energy: 0.5364802780671302
Energy: 0.6218549304910301
Energy: 0.5839463122275386
Energy: 0.5887214342379969
Energy: 0.5606492691119098
Energy: 0.5640033435714127
Energy: 0.5452092435977943
Energy: 0.562055038918993
Energy: 0.5541181900212135
Energy: 0.552701243518921
Energy: 0.5659691537394319
Energy: 0.5797544269972965
Energy: 0.623001874393948
Energy: 0.5951213042799018
Energy: 0.5723532719530375
Energy: 0.5673884280120083
Energy: 0.5554652793767428
Energy: 0.5749482930876204
Energy: 0.5531845808963517
Energy: 0.5528101087311524
Energy: 0.5734430852096477
Energy: 0.5690089961057186
Energy: 0.6152535651982535
Energy: 0.5671711991607825
Energy: 0.605605937456995
Energy: 0.5768721153658638
Energy: 0.5586162659674391
Energy: 0.5855488096176183
Energy: 0.5697105545474516
Energy: 0.5766723384729372
Energy: 0.5643685012344738
Energy: 0.5939614199047841
Energy: 0.5902119435101797
Energy: 0.5760783486930764
Energy: 0.5985417425700154
Energy: 0.5872135262291075
Energy: 0.6171446426243801
Energy: 0.5978046893152746
Energy: 0.6017075429472588
Energy: 0.5891970715155216
Energy: 0.5779497905487386
Energy: 0.5768263576959195
Energy: 0.5605123304615204
Energy: 0.572035891545685
Energy: 0.580326355333332
Energy: 0.574947827670454
Energy: 0.5512552581316081
Energy: 0.5493693858828033
Energy: 0.5535369139011832
Energy: 0.5782164742954782
Energy: 0.5812207962925736
Energy: 0.5578209503543823
Energy: 0.5878236363167096
Energy: 0.5779560960791417
Energy: 0.5319850729387945
Energy: 0.5531708664309192
Energy: 0.5529786485309441
Energy: 0.5577782347004946
Energy: 0.5494244513934635
Energy: 0.5711399824889967
Energy: 0.5707602142970185
Energy: 0.541863314956884
Energy: 0.5615226191624215
Energy: 0.5651139387708681
Energy: 0.6181645977759409
Energy: 0.5807160586735906
Energy: 0.5809675661169258
Energy: 0.5764343144325151
Energy: 0.5658024427821253
Energy: 0.5887605673341215
Energy: 0.5662403537408506
Energy: 0.5374183440610806
Energy: 0.5911457146795387
Energy: 0.5907267367803652
Energy: 0.5943251734828036
Energy: 0.584278906818959
Energy: 0.5741927728463824
Energy: 0.595381123745248
Energy: 0.5928787844346406
Energy: 0.573037866865924
Energy: 0.60547235237091
Energy: 0.5878324914497242
Energy: 0.6032149326297772
Energy: 0.5889286635579084
Energy: 0.5340463873718079
Energy: 0.5801076135201664
Energy: 0.5749787107242398
Energy: 0.586387950414985
Energy: 0.5502869823590865
Energy: 0.56575232169835
Energy: 0.5703287465078322
Energy: 0.6075725333969056
Energy: 0.5234244798719329
Energy: 0.542609958045208
Energy: 0.5968160569941966
Energy: 0.5744877408973975
Energy: 0.5990937913010771
Energy: 0.6033131346288595
Energy: 0.5655929214739441
Energy: 0.5614507445399401
Energy: 0.5675208084796357
Energy: 0.5677153848306095
Energy: 0.586872223989987
Energy: 0.5503349660166055
Energy: 0.565765521817683
Energy: 0.554802952303809
Energy: 0.5875473171479204
Energy: 0.5969671743527201
Energy: 0.5861955860120339
Energy: 0.593043132575019
Energy: 0.5811937207440562
Energy: 0.5995013821705073
Energy: 0.5846019879735048
Energy: 0.568046030896454
Energy: 0.584602413561736
Energy: 0.594436140868107
Energy: 0.5989594092683002
Energy: 0.5774328759550792
Energy: 0.6117405234497982
Energy: 0.5808484583800365
Energy: 0.5858462260676969
Energy: 0.5449206586011003
Energy: 0.6082100566223418
Energy: 0.6052878409971004
Energy: 0.5890236694978485
Energy: 0.5943087152326068
Energy: 0.5367117922287254
Energy: 0.5455875066656529
Energy: 0.5542603330815338
Energy: 0.5836576696662028
Energy: 0.5579942787578633
Energy: 0.5533998251718665
Energy: 0.5756954596142202
Energy: 0.5568824325985362
Energy: 0.555850158800978
Energy: 0.5514494411921991
Energy: 0.6193875844325859
Energy: 0.5622588539798987
Energy: 0.6068839373484551
Energy: 0.6069409783921319
Energy: 0.5779841583289053
Energy: 0.5789398448026242
Energy: 0.5519035277067802
Energy: 0.571600228845592
Energy: 0.5518821600813818
Energy: 0.5535141926304052
Energy: 0.5627519229824662
Energy: 0.6004788075093176
Energy: 0.5972683001685153
Energy: 0.5833198092493114
Energy: 0.6006310804165377
Energy: 0.5928440896734241
Energy: 0.5826371943049209
Energy: 0.6021489035728593
Energy: 0.5775226628997435
Energy: 0.5723276400088335
Energy: 0.597707818812827
Energy: 0.5968081873894285
Energy: 0.5888265975563902
Energy: 0.5672406439834778
Energy: 0.629807604157337
Energy: 0.5626916621895584
Energy: 0.6540311564407821
Energy: 0.5887318473383015
Energy: 0.6032035156557144
Energy: 0.6009170049627753
Energy: 0.5760477726552928
Energy: 0.590813084293067
Energy: 0.569883186621684
Energy: 0.5912736409257127
Energy: 0.5545856832504996
Energy: 0.5522122269221337
Energy: 0.5512231061478726
Energy: 0.5585242425849585
Energy: 0.5760032100287371
Energy: 0.565998972942579
Energy: 0.5573404911942408
Energy: 0.5565602155922675
Energy: 0.5879539390945839
Energy: 0.5387430119718459
Energy: 0.6287529228849879
Energy: 0.6136140899399878
Energy: 0.559976462112491
Energy: 0.5653649633337874
Energy: 0.5922252124018303
Energy: 0.5708783968808561
Energy: 0.5380580780417646
Energy: 0.5401116733829932
Energy: 0.5735339703658539
Energy: 0.6052495409854287
Energy: 0.5650906501070343
Energy: 0.6198846511771364
Energy: 0.586363076524764
Energy: 0.5808550778786015
Energy: 0.587615702587155
Energy: 0.6064860072885108
Energy: 0.5898875610821919
Energy: 0.5606654671884581
Energy: 0.5603373782328452
Energy: 0.5924729812131073
Energy: 0.5823757929245337
Energy: 0.5788356085137774
Energy: 0.6219857945891916
Energy: 0.5364669603627112
Energy: 0.614431306357371
Energy: 0.5807982603522072
Energy: 0.5761990799883867
Energy: 0.6014480278551424
Energy: 0.5617145272963386
Energy: 0.5900106931377301
Energy: 0.550759756753249
Energy: 0.5897080455628049
Energy: 0.5518265935257868
Energy: 0.5686119077456038
Energy: 0.5858358130118057
Energy: 0.5603123028662759
Energy: 0.5592374713708345
Energy: 0.5497440745825983
Energy: 0.5789954713996981
Energy: 0.5667236676557379
Energy: 0.5907820963671466
Energy: 0.5498364155974919
Energy: 0.6041515756385927
Energy: 0.5814866587001211
Energy: 0.5634606901275391
Energy: 0.6220686971885689
Energy: 0.630216721441686
Energy: 0.5608271906492031
Energy: 0.5545471465140118
Energy: 0.5509278513127058
Energy: 0.5575874722519281

minimum gb energy = 0.5195806528688621 eV
minimum distance =  2.54031318832237 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5162579654762435
Energy: 0.6792071570933352
Energy: 0.5302111793446612
Energy: 0.5839977855887952
Energy: 0.5913923788962605
Energy: 0.5823431238781741
Energy: 0.5052924134263591
Energy: 0.5272531758315762
Energy: 0.5435899122239644
Energy: 0.5594803503443176
Energy: 0.5583071748929548
Energy: 0.5623318239938946
Energy: 0.5195758376130415
Energy: 0.6345933653050758
Energy: 0.5285425272166665
Energy: 0.5126128602391572
Energy: 0.542478145840809
Energy: 0.5613087834741961
Energy: 0.5561773243668585
Energy: 0.5202612413545532
Energy: 0.5211445218163259
Energy: 0.5429318410650995
Energy: 0.5640969117025879
Energy: 0.5593272020906694
Energy: 0.5645125224016497
Energy: 0.5643368397607268
Energy: 0.5587471213619091
Energy: 0.5949674216994828
Energy: 0.5318796119165432
Energy: 0.5625464003438366
Energy: 0.5399294020212917
Energy: 0.5193000828087556
Energy: 0.5728593954549691
Energy: 0.5736743124139104
Energy: 0.5202808533579392
Energy: 0.5130088945278842
Energy: 0.5597273541050466
Energy: 0.5189955807723386
Energy: 0.7195304937614213
Energy: 0.5488116523201225
Energy: 0.5194288871755762
Energy: 0.5201240242006224
Energy: 0.6314970972107424
Energy: 0.5404803365935142
Energy: 0.5170283642455993
Energy: 0.6465637986228454
Energy: 0.5052387196631334
Energy: 0.5052920744138268
Energy: 0.5404226576143316
Energy: 0.511976326925612
Energy: 0.5483232976539979
Energy: 0.646345909770079
Energy: 0.542112721892638
Energy: 0.5507415044242382
Energy: 0.5820759497666974
Energy: 0.5206798446591581
Energy: 0.5121647784898217
Energy: 0.5495225041885864
Energy: 0.6397962930602135
Energy: 0.5426628929814274
Energy: 0.5556953026759894
Energy: 0.5618240091642491
Energy: 0.5206404964149757
Energy: 0.600022564867842
Energy: 0.5384958494580713
Energy: 0.5595434393904658
Energy: 0.5661762109806572
Energy: 0.5612781663339954
Energy: 0.5196250108086032
Energy: 0.5202490468096791
Energy: 0.5460800202164254
Energy: 0.5635814226379379
Energy: 0.5844125167240218
Energy: 0.5601325852735389
Energy: 0.56176576774601
Energy: 0.5338960735505129
Energy: 0.5444095241757483
Energy: 0.538728696309933
Energy: 0.5467378247894973
Energy: 0.5588529256302237
Energy: 0.5426353936916747
Energy: 0.5821941385829695
Energy: 0.5594596110009765
Energy: 0.5953709203969476
Energy: 0.5084906989990962
Energy: 0.56218581485271
Energy: 0.5599515731617069
Energy: 0.5607464832761138
Energy: 0.5495895093206877
Energy: 0.5698513345727482
Energy: 0.5205228754599532
Energy: 0.5295796891691494
Energy: 0.5134543336393744
Energy: 0.5307766951382269
Energy: 0.6426602179817834
Energy: 0.5054140604304391
Energy: 0.5050917041010241
Energy: 0.5401314967221054
Energy: 0.5115930035243617
Energy: 0.5417520379545941
Energy: 0.5173064619511932
Energy: 0.647469764126442
Energy: 0.5045009320904611
Energy: 0.503868281911556
Energy: 0.5844329666905326
Energy: 0.5163187573663546
Energy: 0.5548068203816986
Energy: 0.5173534420153139
Energy: 0.5316990702872525
Energy: 0.5884925158446647
Energy: 0.5684800742724434
Energy: 0.5047075309497361
Energy: 0.5272848208850501
Energy: 0.54080034364072
Energy: 0.5591958113449114
Energy: 0.5644676491871866
Energy: 0.5621780865223568
Energy: 0.5193604081185811
Energy: 0.584184395320175
Energy: 0.5283264499510849
Energy: 0.5126217083434903
Energy: 0.5428411137745013
Energy: 0.5608907215522267
Energy: 0.5560354854588636
Energy: 0.5202458292882737
Energy: 0.5985146881625157
Energy: 0.5427129745924215
Energy: 0.564741368225159
Energy: 0.5591310863018808
Energy: 0.5615076978295546
Energy: 0.5641057374276429
Energy: 0.5590441223978939
Energy: 0.5948174878617759
Energy: 0.5312830606283442
Energy: 0.5629897742330028
Energy: 0.5399620913863847
Energy: 0.5192790020072907
Energy: 0.5716162854146526
Energy: 0.6208443411185492
Energy: 0.5202684146624935
Energy: 0.5130208259920872
Energy: 0.551810693859721
Energy: 0.5190069038109465
Energy: 0.5929192249814808
Energy: 0.5488083875541849
Energy: 0.5040243634057875
Energy: 0.520086471998809
Energy: 0.631358780444267
Energy: 0.5404305240306737
Energy: 0.5170503502956609
Energy: 0.6463902907461528
Energy: 0.5070191716537475
Energy: 0.5049523010641903
Energy: 0.540352511603661
Energy: 0.5119143273933464
Energy: 0.5484430502641857
Energy: 0.6463494696240217
Energy: 0.5419955406031867
Energy: 0.551372878642229
Energy: 0.5824735059851647
Energy: 0.5207942088049899
Energy: 0.5120235278869931
Energy: 0.5486900123117991
Energy: 0.601287141356915
Energy: 0.5422674128659052
Energy: 0.5519425350673072
Energy: 0.5612412884120324
Energy: 0.5206841581336417
Energy: 0.6001325338216447
Energy: 0.5926925785035216
Energy: 0.5591908046422568
Energy: 0.5659082305624484
Energy: 0.5623745159235758
Energy: 0.5200367335689374
Energy: 0.5206448000261866
Energy: 0.5458181770079388
Energy: 0.5639648397265167
Energy: 0.5845092707593403
Energy: 0.56002977039684
Energy: 0.5625756576245227
Energy: 0.5617188278037379
Energy: 0.5439981734662859
Energy: 0.5391824007618609
Energy: 0.5466212569205849
Energy: 0.5587438976609351
Energy: 0.5569577114649445
Energy: 0.5823706220734409
Energy: 0.5596414386339699
Energy: 0.5745408668976337
Energy: 0.5088010839181029
Energy: 0.562279618862857
Energy: 0.5598752692601406
Energy: 0.5605271894338321
Energy: 0.5495603047071762
Energy: 0.5700928241806824
Energy: 0.5206334502340899
Energy: 0.529683570579773
Energy: 0.5136305381899987
Energy: 0.5307156982454369
Energy: 0.6429129383658517
Energy: 0.5059784241598981
Energy: 0.5049241787449282
Energy: 0.540262312461906
Energy: 0.5135315358254519
Energy: 0.5412504887302645
Energy: 0.5174383695447705
Energy: 0.5894174918977442
Energy: 0.5043777876382107
Energy: 0.5037457439825591
Energy: 0.5847036287537573

minimum gb energy = 0.5037457439825591 eV
minimum distance =  2.57479871285578 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6224654725640103
Energy: 0.7103586868518349
Energy: 0.6756360526376045
Energy: 0.686052642245433
Energy: 0.5466951881416386
Energy: 0.625710979705315
Energy: 0.6165148984315951
Energy: 0.5680057582194031
Energy: 0.5887312276500946
Energy: 0.656665113860986
Energy: 0.5880916104511429
Energy: 0.6498072178869605
Energy: 0.6333241077846576
Energy: 0.62196547521383
Energy: 0.5454278418669336
Energy: 0.5622699970595115
Energy: 0.5377066270981075
Energy: 0.5344892509011058
Energy: 0.5820147058653259
Energy: 0.6369856408716791
Energy: 0.5904597811864144
Energy: 0.6330980499905717
Energy: 0.6617570599709326
Energy: 0.5360867079792131
Energy: 0.575361466630583
Energy: 0.5453125701104907
Energy: 0.5089670589824918
Energy: 0.5623511478565865
Energy: 0.5037363994668701
Energy: 0.532345187180193
Energy: 0.5169504765015175
Energy: 0.5480309195101842
Energy: 0.5362472246447891
Energy: 0.6052899370516215
Energy: 0.49500881316338097
Energy: 0.49025049956491046
Energy: 0.529446588743247
Energy: 0.5948272616574048
Energy: 0.6176149317185564
Energy: 0.5434201578539348
Energy: 0.6513718270782983
Energy: 0.5812660295139104
Energy: 0.4989576222087291
Energy: 0.6411338783645456
Energy: 0.509204353356633
Energy: 0.5695157052964586
Energy: 0.49140493380959827
Energy: 0.49074419423336413
Energy: 0.5159074660663314
Energy: 0.5462888634104033
Energy: 0.5023621962138999
Energy: 0.5376159822791329
Energy: 0.640469638875441
Energy: 0.5320407138395674
Energy: 0.4959557850991334
Energy: 0.55250921692907
Energy: 0.5049110115194908
Energy: 0.5563743210026028
Energy: 0.5935723993912672
Energy: 0.5989620843524109
Energy: 0.6404328812598201
Energy: 0.6284471859638334
Energy: 0.6273313255678661
Energy: 0.6338130485406851
Energy: 0.6498370995304638
Energy: 0.5202348659359706
Energy: 0.5611650978715801
Energy: 0.5417253904722831
Energy: 0.5366439657251739
Energy: 0.6172676809081442
Energy: 0.5047544409984093
Energy: 0.6012113336479393
Energy: 0.5258726483385816
Energy: 0.6053671634730458
Energy: 0.5055801296259208
Energy: 0.5543197826975372
Energy: 0.6219284700939648
Energy: 0.5053356621290609
Energy: 0.6230325542430837
Energy: 0.6209691888317952
Energy: 0.6238545493615252
Energy: 0.6164123613045025
Energy: 0.6154359171692417
Energy: 0.6209294271312108
Energy: 0.6216114582514971
Energy: 0.5770347443911119
Energy: 0.6673326821925213
Energy: 0.6028466141466157
Energy: 0.5776305234165406
Energy: 0.5310544558743305
Energy: 0.6152533430904071
Energy: 0.6197342017809568
Energy: 0.5568631480643869
Energy: 0.5347915921910975
Energy: 0.5652591319754977
Energy: 0.5610278083852052
Energy: 0.5659119515776971
Energy: 0.6289231743115994
Energy: 0.5462827455677096
Energy: 0.5575194645698025
Energy: 0.580855007974707
Energy: 0.5267487145464333
Energy: 0.5784069697836999
Energy: 0.6271172583408795
Energy: 0.6570571534322571
Energy: 0.6307419234870009
Energy: 0.6208297178579383
Energy: 0.5736569793400035
Energy: 0.6175819530713355
Energy: 0.5458212825384545
Energy: 0.5746918945035961
Energy: 0.6084324778706376
Energy: 0.5039633639134135
Energy: 0.5326896680963595
Energy: 0.5810579332963546
Energy: 0.535948006062581
Energy: 0.5551677977922334
Energy: 0.5774470749179238
Energy: 0.5319362654799557
Energy: 0.4941200593219606
Energy: 0.5331920841302807
Energy: 0.5989506369428956
Energy: 0.5886047482714736
Energy: 0.5433344605172897
Energy: 0.49696411623482445
Energy: 0.5830518553886566
Energy: 0.6121672072177033
Energy: 0.5418765822173982
Energy: 0.5123091991653155
Energy: 0.5787987974832373
Energy: 0.49295457028917716
Energy: 0.49169463443105793
Energy: 0.5252890873139437
Energy: 0.5793921875482011
Energy: 0.5471204415933535
Energy: 0.5381128343434248
Energy: 0.580152676209283
Energy: 0.5320176845029969
Energy: 0.499215907567231
Energy: 0.5709063578657544
Energy: 0.5092022792134014
Energy: 0.5364922742175803
Energy: 0.594553949095527
Energy: 0.6263119979890082
Energy: 0.5986146495463718
Energy: 0.6303287113228107
Energy: 0.6236388587437399
Energy: 0.5787431407720495
Energy: 0.5960415605767699
Energy: 0.5138751720324175
Energy: 0.5287569058156054
Energy: 0.5689539538381674
Energy: 0.6128795657924844
Energy: 0.5821010012584361
Energy: 0.6310092917126503
Energy: 0.6155089990017107
Energy: 0.6366210891757734
Energy: 0.6594770085716637
Energy: 0.5657476217824697
Energy: 0.626884676100419
Energy: 0.6110728012677283
Energy: 0.5458337400912189
Energy: 0.6238187795087629
Energy: 0.5532501781892784
Energy: 0.5196778256008806
Energy: 0.6156250384968592
Energy: 0.6168496643314189
Energy: 0.6164630894670112
Energy: 0.6201438192031418
Energy: 0.5664309512906036
Energy: 0.6121566817477432
Energy: 0.5585654252716662
Energy: 0.5658239594185944
Energy: 0.6005662983672421
Energy: 0.5574876276128568

minimum gb energy = 0.49025049956491046 eV
minimum distance =  2.59074951751222 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.6327829167792088
Energy: 0.7395278490335482
Energy: 0.6580236319173877
Energy: 0.6941422192630592
Energy: 0.649733345878663
Energy: 0.6478467391032539
Energy: 0.6838856129335741
Energy: 0.6575479310417128
Energy: 0.6696468078571636
Energy: 0.640640293619201
Energy: 0.6343638511523987
Energy: 0.652944514205692
Energy: 0.6560948294275603
Energy: 0.6896738097058823
Energy: 0.6555369372078461
Energy: 0.6482199480844515
Energy: 0.6166123280666626
Energy: 0.6465856001538869
Energy: 0.6799918147361124
Energy: 0.6387282540939111
Energy: 0.6402267106167183
Energy: 0.6138761185583311
Energy: 0.6662705081663074
Energy: 0.6207001999884546
Energy: 0.6435040663386642
Energy: 0.6375974433678342
Energy: 0.6162738922940695
Energy: 0.6375130675770081
Energy: 0.610212354048504
Energy: 0.6530644636385633
Energy: 0.6422563616606728
Energy: 0.6394231722265095
Energy: 0.6174125497680129
Energy: 0.6299318072496066
Energy: 0.6001105801805192
Energy: 0.5571867215768583
Energy: 0.6417236938744528
Energy: 0.6061075038465454
Energy: 0.6365398768547896
Energy: 0.5655327787075408
Energy: 0.5697523145987153
Energy: 0.6142498755299093
Energy: 0.640223708675216
Energy: 0.6286206667355676
Energy: 0.6100039872494529
Energy: 0.6065251972218908
Energy: 0.6003770928898783
Energy: 0.5975603817072435
Energy: 0.6532270576971012
Energy: 0.5952498101483864
Energy: 0.6015813590493407
Energy: 0.6067152613221874
Energy: 0.6241917682197229
Energy: 0.6528204407098415
Energy: 0.6202201008243178
Energy: 0.5753676249483007
Energy: 0.5345832661784592
Energy: 0.628402863011781
Energy: 0.6290177280556682
Energy: 0.6369519539745752
Energy: 0.5772355302900622
Energy: 0.6171293324008669
Energy: 0.6555172661459837
Energy: 0.6129918422895299
Energy: 0.633845515645906
Energy: 0.5835794132999633
Energy: 0.6109300571580576
Energy: 0.6085201634265428
Energy: 0.5825327002252177
Energy: 0.6048585469099655
Energy: 0.6098576327481565
Energy: 0.6023217160691822
Energy: 0.6682592543620507
Energy: 0.6012184483653523
Energy: 0.6190417571374395
Energy: 0.5873205292339013
Energy: 0.6251965787286372
Energy: 0.624029945649266
Energy: 0.6408948677394071
Energy: 0.6254890183207364
Energy: 0.6115258465482276
Energy: 0.6455895854055308
Energy: 0.6264601863605361
Energy: 0.658228961450819
Energy: 0.6074925063194071
Energy: 0.5961771969802393
Energy: 0.6050113269699081
Energy: 0.5772834528309339
Energy: 0.6385168837734732
Energy: 0.6067024532630546
Energy: 0.6097714113933772
Energy: 0.6420683136608476
Energy: 0.607476615560062
Energy: 0.6330747401440754
Energy: 0.5926352604899753
Energy: 0.599464417925504
Energy: 0.594537596650718
Energy: 0.6514057256688608
Energy: 0.5560203768289763
Energy: 0.6329929911379578
Energy: 0.61501300171193
Energy: 0.6204196176803364
Energy: 0.6314474892938085
Energy: 0.582785424041395
Energy: 0.6143378302113307
Energy: 0.6154448048097744
Energy: 0.6269106684947898
Energy: 0.6238106607635132
Energy: 0.6160775465292567
Energy: 0.6434911084575308
Energy: 0.6088193335592219
Energy: 0.6252350624571759
Energy: 0.6142368749880468
Energy: 0.6592806620984201
Energy: 0.6093196694124784
Energy: 0.6306938599475207
Energy: 0.6050251691186318
Energy: 0.6367313767453797
Energy: 0.6442079060817111
Energy: 0.5884960955843775
Energy: 0.6689947231107076
Energy: 0.5921547108802441
Energy: 0.6158388878889391
Energy: 0.620834306759204
Energy: 0.6306468574387024
Energy: 0.6601098203414699
Energy: 0.6483311189029786
Energy: 0.6591652772322614
Energy: 0.6338271664894897
Energy: 0.6333261110831727
Energy: 0.6805567075914288
Energy: 0.6792608840102123
Energy: 0.6659252779785109
Energy: 0.6129249468953433
Energy: 0.692222036122529
Energy: 0.6367826138870871
Energy: 0.6645094036068684
Energy: 0.6298237278242651
Energy: 0.6478595696378653
Energy: 0.6649951817443613
Energy: 0.6539917935055042
Energy: 0.6473547255118652
Energy: 0.6484328445705662
Energy: 0.6661509791139961
Energy: 0.6559983827209693
Energy: 0.6140566924603597
Energy: 0.6646310329156616
Energy: 0.6631600684723697
Energy: 0.6714149319375011
Energy: 0.6430246686647956
Energy: 0.6415950475500323
Energy: 0.6814056577526958
Energy: 0.6165604391344343
Energy: 0.6791071833681943
Energy: 0.6108018593870899
Energy: 0.6960647600545488
Energy: 0.6561787635910427
Energy: 0.6679692417469847
Energy: 0.6647292485246917
Energy: 0.6601395222490918
Energy: 0.6519058393228723
Energy: 0.6637156849860832
Energy: 0.6873226042306294
Energy: 0.6181838049475217
Energy: 0.6239359201341221
Energy: 0.6731593293159381
Energy: 0.5952948021601189
Energy: 0.6872955212972143
Energy: 0.60426706009527
Energy: 0.669361176306012
Energy: 0.6158516404831651
Energy: 0.6490389464982245
Energy: 0.6416155536848303
Energy: 0.6377087187611237
Energy: 0.646488938316866
Energy: 0.6035916860795186
Energy: 0.6330773627770538
Energy: 0.6084887019658273
Energy: 0.6128534520974286
Energy: 0.6390885319393401
Energy: 0.6178810290398306
Energy: 0.6409896011347269
Energy: 0.6111414727051198
Energy: 0.6518416714519162
Energy: 0.6394679915446903
Energy: 0.6264254810022221
Energy: 0.6344729093809706
Energy: 0.6167763872611893
Energy: 0.6273985525944715
Energy: 0.5571569907711952
Energy: 0.6380297969424968
Energy: 0.6126921403068556
Energy: 0.6123335130444998
Energy: 0.6150693485731507
Energy: 0.579208572298092
Energy: 0.6132547952219376
Energy: 0.6255558560039206
Energy: 0.6160329196240454
Energy: 0.611627311421367
Energy: 0.6073413410350662
Energy: 0.6011728451847169
Energy: 0.5994008342555468
Energy: 0.6513356783688401
Energy: 0.5745422736936334
Energy: 0.5993838691384784
Energy: 0.5898112596268598
Energy: 0.6213062018360245
Energy: 0.6427175511196108
Energy: 0.6021609776229021
Energy: 0.599455033922268
Energy: 0.5352499272385013
Energy: 0.6297121534206237
Energy: 0.641385775472405
Energy: 0.59363963088837
Energy: 0.5772672037073832
Energy: 0.6151578340366622
Energy: 0.6504765612530269
Energy: 0.619495716684516
Energy: 0.635569789716243
Energy: 0.6499798896272369
Energy: 0.6131739690017788
Energy: 0.6126679002624084
Energy: 0.604095768135138
Energy: 0.5996479151316109
Energy: 0.6110646813401122
Energy: 0.6338672487771598
Energy: 0.5657104784842635
Energy: 0.6325812181040007
Energy: 0.6059971714785769
Energy: 0.5835161978559587
Energy: 0.6306469512849878
Energy: 0.5956553367757457
Energy: 0.6166186079107646
Energy: 0.6260053369310994
Energy: 0.6183083296665876
Energy: 0.5933346258499346
Energy: 0.6264059962988693
Energy: 0.6577679267126394
Energy: 0.6067040621133157
Energy: 0.5832949642539582
Energy: 0.5992331712324024
Energy: 0.5983793120495929
Energy: 0.6463709115090943
Energy: 0.5957160633562314
Energy: 0.6042246794387195
Energy: 0.6356756850707244
Energy: 0.612216432967999
Energy: 0.6310091046180573
Energy: 0.6051305455417043
Energy: 0.5929475937690508
Energy: 0.5925070542438412
Energy: 0.6384060417054255
Energy: 0.555640680195522
Energy: 0.6026175520885919
Energy: 0.6194958142544605
Energy: 0.5807028234118011
Energy: 0.6357443071523079
Energy: 0.5851771070354203
Energy: 0.6161980130605201
Energy: 0.6222700721076754
Energy: 0.6120978574551926
Energy: 0.6241674250427989
Energy: 0.6448250489458576
Energy: 0.661010729714957
Energy: 0.6103731365557737
Energy: 0.6249246372872538
Energy: 0.60543127964757
Energy: 0.6429229775513884
Energy: 0.6066988473649202
Energy: 0.6195148433788351
Energy: 0.6020447032999241
Energy: 0.5954556880998947
Energy: 0.6222095965589793
Energy: 0.5890458927373937
Energy: 0.6250602413869192
Energy: 0.5905508326511449
Energy: 0.6198204182261018
Energy: 0.6511188004618967
Energy: 0.6203303473792757
Energy: 0.6653889814373168
Energy: 0.6477559790759045
Energy: 0.6572485458997118
Energy: 0.6038989792455066
Energy: 0.6246761330861125
Energy: 0.659400040071363
Energy: 0.6397253127282487
Energy: 0.6697562798533804
Energy: 0.6148733641035431
Energy: 0.7116683293194963
Energy: 0.6334591343044106
Energy: 0.6818866308101804
Energy: 0.6412104617465713
Energy: 0.6506331808663167
Energy: 0.6926605365542805
Energy: 0.6592927253949257
Energy: 0.6670723394979756
Energy: 0.6512539228790671
Energy: 0.6584931061272928
Energy: 0.6577561509862592
Energy: 0.6094440842399325
Energy: 0.6830049585951624
Energy: 0.6636111017612711
Energy: 0.6519365190255534
Energy: 0.6509333453074158
Energy: 0.6912880753584052
Energy: 0.6511818014263622
Energy: 0.6104652953882227
Energy: 0.69497493842452
Energy: 0.6314776585070774
Energy: 0.6547714150331229
Energy: 0.6575000792642813
Energy: 0.6843420607500144
Energy: 0.6498527835501374
Energy: 0.6414054678654751
Energy: 0.682875596148011

minimum gb energy = 0.5345832661784592 eV
minimum distance =  2.52127141181098 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.5628747233068143
Energy: 0.6686684654589157
Energy: 0.5700633753264477
Energy: 0.5684031352399684
Energy: 0.5683891186895572
Energy: 0.5691692613856
Energy: 0.570452816157716
Energy: 0.5130461914765485
Energy: 0.670676243848459
Energy: 0.5147353614165102
Energy: 0.4683143927734858
Energy: 0.5139277445676155
Energy: 0.5158729157738354
Energy: 0.6696503363759968
Energy: 0.5116109618754883
Energy: 0.7176656221614389
Energy: 0.513850263640629
Energy: 0.5222732114017227
Energy: 0.5203983423474469
Energy: 0.5154889981084522
Energy: 0.46906671263246336
Energy: 0.5120237116133706
Energy: 0.7166694821740268
Energy: 0.5144723790050381
Energy: 0.5142050751700042
Energy: 0.521687891277351
Energy: 0.5157330059006777
Energy: 0.571159122947068
Energy: 0.5152682756665022
Energy: 0.6693818713992931
Energy: 0.5162123518245466
Energy: 0.6665644137532551
Energy: 0.4674567945957985
Energy: 0.5172247524948584
Energy: 0.6691221597804048
Energy: 0.5134078261184272
Energy: 0.7163432164117309
Energy: 0.5132160373375964
Energy: 0.5687882524310872
Energy: 0.5686347296265571
Energy: 0.5133542780902542
Energy: 0.5711503327063184
Energy: 0.5120804117616334
Energy: 0.6703808950447541
Energy: 0.5142278418616719
Energy: 0.5228591485975104
Energy: 0.5204729726620532
Energy: 0.515462625543571
Energy: 0.6705048275015685
Energy: 0.5119304850982491
Energy: 0.6687495410410219
Energy: 0.5143053199896805
Energy: 0.5220251511258726
Energy: 0.5205746490069783
Energy: 0.5154909954758102
Energy: 0.6677034162910837
Energy: 0.51278773009237
Energy: 0.7171997504726603
Energy: 0.515000350619603
Energy: 0.5693701837477946
Energy: 0.569319982484205
Energy: 0.5135118438391424
Energy: 0.5716996003552458
Energy: 0.5151771163672216
Energy: 0.6689932727099576
Energy: 0.5160404948322375
Energy: 0.6665601799007141
Energy: 0.6656494159502969
Energy: 0.5169601999599063
Energy: 0.6690531675922676
Energy: 0.5123892507895028
Energy: 0.716961964183979
Energy: 0.514933570538643
Energy: 0.5697141654052676
Energy: 0.570331245789846
Energy: 0.5159202795100657
Energy: 0.5715866440071817
Energy: 0.5117568709057331
Energy: 0.6691641599130588
Energy: 0.5137881743406174
Energy: 0.5222705454729478
Energy: 0.5201674633782449
Energy: 0.5155557521569534
Energy: 0.6679380004841148
Energy: 0.5125305889766323
Energy: 0.6704133402689917
Energy: 0.5145642059488161
Energy: 0.5227158781238793
Energy: 0.5210228870727087
Energy: 0.5155243583802115
Energy: 0.6704940327443583
Energy: 0.5135567123108075
Energy: 0.7155179519714645
Energy: 0.5131995085654493
Energy: 0.5684441992770954
Energy: 0.5685001542845444
Energy: 0.5710228053644282
Energy: 0.5707754070694181
Energy: 0.5144441692135364
Energy: 0.6697941071892595
Energy: 0.5165771642322107
Energy: 0.4679997960657539
Energy: 0.5142237165453648
Energy: 0.5166522165062221
Energy: 0.6694615075207926
Energy: 0.5119563074576876
Energy: 0.71730720511543
Energy: 0.5142023117139949
Energy: 0.5127459962482133
Energy: 0.5210184180702724
Energy: 0.5155257944436853
Energy: 0.5221890100943218
Energy: 0.5119207621864108
Energy: 0.7182466695776727
Energy: 0.5140670941055141
Energy: 0.5226549404245279
Energy: 0.5207725037586091
Energy: 0.5153798863739321
Energy: 0.5712150262699459
Energy: 0.5147215478826764
Energy: 0.6701569745819278
Energy: 0.5150375879422838
Energy: 0.5148720449617279
Energy: 0.46704875414773683
Energy: 0.5162667208139277
Energy: 0.6694582419714068
Energy: 0.5142406919075896
Energy: 0.7158922383824763
Energy: 0.512990000814611
Energy: 0.5685376057488895
Energy: 0.5683043866414031
Energy: 0.5694490547533346
Energy: 0.5706599230423638
Energy: 0.5129013836283393
Energy: 0.6707191915420659
Energy: 0.5145745871574978
Energy: 0.4683353346115563
Energy: 0.5135071639893971
Energy: 0.515704125194671
Energy: 0.6705500504082225

minimum gb energy = 0.46704875414773683 eV
minimum distance =  2.56539567016031 Angstroms
sigma value = 23