Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978306989
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01814676762190278
Energy: 1.2209110390290911
Energy: 0.01814676762190278
Energy: 1.2209110390293851
Energy: 0.01814676762190278
Energy: 1.2209110390290911
Energy: 1.2209110390293851
Energy: 1.4668546973699004
Energy: 1.2209110390290911
Energy: 1.4668546973708552
Energy: 1.2209110390290911
Energy: 1.4668546973708552
Energy: 0.01814676762190278
Energy: 1.2209110390290911
Energy: 0.01814676762190278
Energy: 1.2209110390290911
Energy: 0.01814676762190278
Energy: 1.2209110390293851
Energy: 1.2209110390293851
Energy: 1.46685469737181
Energy: 1.2209110390290911
Energy: 1.4668546973695697
Energy: 1.2209110390290911
Energy: 1.46685469737181
Energy: 0.01814676762190278
Energy: 1.2209110390293851
Energy: 0.01814676762190278
Energy: 1.2209110390290911
Energy: 0.01814676762190278
Energy: 1.2209110390287607
Energy: 1.2209110390290911
Energy: 1.4668546973715162
Energy: 1.2209110390293851
Energy: 1.4668546973705245
Energy: 1.2209110390290911
Energy: 1.4668546973699004

minimum gb energy = 0.01814676762190278 eV
minimum distance =  2.36839512844195 Angstroms
sigma value = 1


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

Energy: 1.5748694053180254
Energy: 1.5089381038689302
Energy: 1.5748694053180254
Energy: 1.5089381038689302
Energy: 1.5748694053180254
Energy: 1.5089381038689302
Energy: 1.7444373951285903
Energy: 1.4074960012160722
Energy: 1.7444373951293857
Energy: 1.4074960012160722
Energy: 1.7444373951293857
Energy: 1.4074960012160722
Energy: 1.5544159505774373
Energy: 1.5820068650869812
Energy: 1.554415950578233
Energy: 1.5820068650869812
Energy: 1.554415950581415
Energy: 1.5820068650869812
Energy: 1.6507306189185762
Energy: 1.4858718692390984
Energy: 1.6507306189185762
Energy: 1.4858718692390984
Energy: 1.6507306189185762
Energy: 1.4858718692390984
Energy: 1.5051829721831664
Energy: 1.6531338636959054
Energy: 1.505182972182371
Energy: 1.6531338636959054
Energy: 1.5051829721831664
Energy: 1.6531338636967012
Energy: 1.6236000999054876
Energy: 1.4412773697649266
Energy: 1.6236000999054876
Energy: 1.441277369764131
Energy: 1.6236000999062834
Energy: 1.4412773697649266
Energy: 1.4535544342188975
Energy: 1.546739994874532
Energy: 1.4535544342196933
Energy: 1.546739994874532
Energy: 1.4535544342188975
Energy: 1.5467399948753275
Energy: 1.4538044431293369
Energy: 1.677679599509397
Energy: 1.4538044431293369
Energy: 1.677679599509397
Energy: 1.4538044431293369
Energy: 1.677679599509397
Energy: 1.6106130909459573
Energy: 1.5461134417708415
Energy: 1.6106130909475485
Energy: 1.5461134417708415
Energy: 1.6106130909459573
Energy: 1.5461134417716371
Energy: 1.3886941415909684
Energy: 1.6561001932990347
Energy: 1.3886941415909684
Energy: 1.6561001932990347
Energy: 1.3886941415909684
Energy: 1.6561001932990347
Energy: 1.5875277133538912
Energy: 1.4391440238740953
Energy: 1.5875277133530956
Energy: 1.439144023874891
Energy: 1.5875277133523
Energy: 1.4391440238740953
Energy: 1.367739232621085
Energy: 1.8966923348617981
Energy: 1.367739232621085
Energy: 1.8966923348617981
Energy: 1.3677392326202895
Energy: 1.8966923348617981
Energy: 1.6952930189460507
Energy: 1.3535398347908627
Energy: 1.6952930189468465
Energy: 1.3535398347900671
Energy: 1.6952930189460507
Energy: 1.3535398347900671
Energy: 1.460874492277753
Energy: 1.489192539985026
Energy: 1.460874492277753
Energy: 1.489192539985026
Energy: 1.4608744922769576
Energy: 1.4891925399842305
Energy: 1.771158312652726
Energy: 1.401253577233897
Energy: 1.7711583126535213
Energy: 1.401253577233897
Energy: 1.771158312652726
Energy: 1.401253577233897
Energy: 1.7652795739222846
Energy: 1.5997806552318845
Energy: 1.7652795739230802
Energy: 1.5997806552318845
Energy: 1.7652795739222846
Energy: 1.599780655231089
Energy: 1.5319949450679349
Energy: 1.5455679786736805
Energy: 1.5319949450687302
Energy: 1.5455679786728849
Energy: 1.5319949450679349
Energy: 1.5455679786736805
Energy: 1.5349402680457933
Energy: 1.4718474404346467
Energy: 1.5349402680442021
Energy: 1.4718474404346467
Energy: 1.534940268044998
Energy: 1.4718474404338509
Energy: 1.5325171101227015
Energy: 1.4815159339055317
Energy: 1.5325171101227015
Energy: 1.4815159339055317
Energy: 1.5325171101219062
Energy: 1.4815159339063273
Energy: 1.601714755924525
Energy: 1.440190376240388
Energy: 1.6017147559253206
Energy: 1.440190376240388
Energy: 1.6017147559253206
Energy: 1.440190376240388
Energy: 1.4201837531741166
Energy: 1.9102588140817658
Energy: 1.4201837531741166
Energy: 1.91025881408097
Energy: 1.4201837531741166
Energy: 1.91025881408097
Energy: 1.596776629788775
Energy: 1.5494440740798798
Energy: 1.5967766297879795
Energy: 1.5494440740790842
Energy: 1.5967766297871842
Energy: 1.5494440740798798
Energy: 1.3900272627602552
Energy: 1.6950970719148848
Energy: 1.3900272627602552
Energy: 1.6950970719148848
Energy: 1.3900272627594596
Energy: 1.6950970719148848

minimum gb energy = 1.3535398347900671 eV
minimum distance =  2.25204368585971 Angstroms
sigma value = 33


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

Energy: 1.663971203136383
Energy: 1.6754442673855916
Energy: 1.5593876511101534
Energy: 1.6754442673855916
Energy: 1.663971203136383
Energy: 1.6754442673874015
Energy: 1.67058487218072
Energy: 1.4950947370022598
Energy: 1.6705848721829826
Energy: 1.4950947370022598
Energy: 1.6705848721811725
Energy: 1.4950947370022598
Energy: 1.455386789817907
Energy: 1.4849125340864187
Energy: 1.4553867898170019
Energy: 1.4849125340868712
Energy: 1.455386789819717
Energy: 1.4849125340868712
Energy: 1.7221627775498638
Energy: 1.662660863257115
Energy: 1.7221627775480537
Energy: 1.662660863257115
Energy: 1.722162777548959
Energy: 1.6626608632575677
Energy: 1.5567594795560824
Energy: 1.5691889254403892
Energy: 1.556759479554725
Energy: 1.5691889254358644
Energy: 1.5567594795560824
Energy: 1.5691889254363167
Energy: 1.521191940330886
Energy: 1.4402857670469371
Energy: 1.5211919403322434
Energy: 1.4402857670469371
Energy: 1.521191940330886
Energy: 1.4402857670469371
Energy: 1.687484872901015
Energy: 1.5603178635982575
Energy: 1.6874848729001104
Energy: 1.5603178635991213
Energy: 1.6874848729014675
Energy: 1.5603178635987096
Energy: 1.355420072968575
Energy: 1.6644924337142502
Energy: 1.3554200729708374
Energy: 1.6644924337142502
Energy: 1.3554200729690276
Energy: 1.6644924337137976
Energy: 1.417310971730567
Energy: 1.438560945218372
Energy: 1.4173109717301144
Energy: 1.438560945218372
Energy: 1.4173109717310195
Energy: 1.4385609452188246
Energy: 1.4224632329285078
Energy: 1.7128145578565759
Energy: 1.4225063850860142
Energy: 1.712814557854766
Energy: 1.4224632329285078
Energy: 1.7128145578556708
Energy: 1.8187282517387633
Energy: 1.4398239431663125
Energy: 1.8187282517383108
Energy: 1.4398239431663125
Energy: 1.8187282517392156
Energy: 1.439823943166765
Energy: 1.4389349636204194
Energy: 1.549850205991498
Energy: 1.438937175957847
Energy: 1.5498502059919506
Energy: 1.4389349636195143
Energy: 1.5498502059910457
Energy: 1.5598691872544748
Energy: 1.4398231105670234
Energy: 1.6647192310119159
Energy: 1.439823110567476
Energy: 1.5598691872535697
Energy: 1.439823110567476
Energy: 1.559509866713895
Energy: 1.6795031334389647
Energy: 1.664120490476693
Energy: 1.679503133437607
Energy: 1.559509866713895
Energy: 1.6795031334380595
Energy: 1.566366206755142
Energy: 1.4855945896182674
Energy: 1.566366206755142
Energy: 1.4855945896178147
Energy: 1.566366206755142
Energy: 1.4855945896187197
Energy: 1.4379445449671309
Energy: 1.4940849415579927
Energy: 1.4379445449671309
Energy: 1.4940849415584452
Energy: 1.4379445449671309
Energy: 1.4940849415584452
Energy: 1.765953817459374
Energy: 1.5910655222786947
Energy: 1.7659538174584688
Energy: 1.5910655222782422
Energy: 1.7659538174589215
Energy: 1.5910655222777896
Energy: 1.5563039095888827
Energy: 1.4380593320814807
Energy: 1.5563039095888827
Energy: 1.4380593320814807
Energy: 1.5563039095884301
Energy: 1.4380593320819333
Energy: 1.5237862311114931
Energy: 1.4956352089096114
Energy: 1.5237862311114931
Energy: 1.495635208910064
Energy: 1.5237862311114931
Energy: 1.495635208910064
Energy: 1.6801872159889808
Energy: 1.564034111205045
Energy: 1.6801872159912432
Energy: 1.564034111205045
Energy: 1.680187215989433
Energy: 1.564034111205045
Energy: 1.373483362793546
Energy: 1.6652256013697362
Energy: 1.373483362791736
Energy: 1.6652256013701887
Energy: 1.3734833627939986
Energy: 1.6652256013697362
Energy: 1.483185487880349
Energy: 1.4570911920067657
Energy: 1.483185487883064
Energy: 1.4570911920067657
Energy: 1.483185487880349
Energy: 1.4570911920072183
Energy: 1.4221223656915323
Energy: 1.7147325487024516
Energy: 1.4221338678494237
Energy: 1.7147325487024516
Energy: 1.4221223656915323
Energy: 1.7147325487024516
Energy: 1.7294877502978832
Energy: 1.5577248888762398
Energy: 1.7294877503806516
Energy: 1.5577248888766924
Energy: 1.7294877502725425
Energy: 1.5577248888771449
Energy: 1.4555693986610179
Energy: 1.5208215010400499
Energy: 1.4552626306528433
Energy: 1.5208215010436699
Energy: 1.4555693986610179
Energy: 1.520821501042765
Energy: 1.6645999856657145
Energy: 1.638123308160242
Energy: 1.5600739403622554
Energy: 1.6381233081611466
Energy: 1.664599985665262
Energy: 1.638123308160694
Energy: 1.6646911451067676
Energy: 1.595801368216737
Energy: 1.56178908939919
Energy: 1.5958013682171894
Energy: 1.6646911451072204
Energy: 1.5958013682171894
Energy: 1.4377991341925576
Energy: 1.483714157606741
Energy: 1.4377991341921053
Energy: 1.483714157607646
Energy: 1.4377991341921053
Energy: 1.4837141576062884
Energy: 1.711940237429527
Energy: 1.4704257907689657
Energy: 1.7119402374308847
Energy: 1.4704257907671558
Energy: 1.711940237429527
Energy: 1.470425790768061
Energy: 1.433884462656224
Energy: 1.8379582680813558
Energy: 1.4338844626584863
Energy: 1.8379582680813558
Energy: 1.433884462656224
Energy: 1.837958268081767
Energy: 1.5563005670238754
Energy: 1.4389409878782922
Energy: 1.5563005670238754
Energy: 1.4389409878787447
Energy: 1.5563005670247805
Energy: 1.4389409878782922
Energy: 1.4604123201337553
Energy: 1.561625216347611
Energy: 1.460412320135113
Energy: 1.561625216345801
Energy: 1.4604123201337553
Energy: 1.5616252163467061
Energy: 1.6754532165156237
Energy: 1.563813579791853
Energy: 1.6754532165151714
Energy: 1.563813579791853
Energy: 1.6754532165156237
Energy: 1.5638135797923056
Energy: 1.4965439133647402
Energy: 1.5648763690864653
Energy: 1.4965439133665501
Energy: 1.5648763690869179
Energy: 1.4965439133647402
Energy: 1.5648763690869179
Energy: 1.4923420311245017
Energy: 1.4400720056151246
Energy: 1.492342031122239
Energy: 1.4400720056151246
Energy: 1.4923420311231441
Energy: 1.4400720056142198
Energy: 1.6640563373921191
Energy: 1.7180487421652704
Energy: 1.6640563373948338
Energy: 1.7180487421643653
Energy: 1.6640563373925714
Energy: 1.7180487421648178
Energy: 1.439210901710749
Energy: 1.5565114638449633
Energy: 1.4392857822290162
Energy: 1.5565114638449633
Energy: 1.439210901710749
Energy: 1.5565114638458684
Energy: 1.49566148614308
Energy: 1.5212746508938162
Energy: 1.490331427069531
Energy: 1.5212746508938162
Energy: 1.49566148614308
Energy: 1.5212746508929111
Energy: 1.5593845339889194
Energy: 1.6814831925116576
Energy: 1.664455262093288
Energy: 1.681483192511205
Energy: 1.5593845339889194
Energy: 1.6814831925116576
Energy: 1.664338490933026
Energy: 1.3532298456725205
Energy: 1.664338490934384
Energy: 1.3532298456725205
Energy: 1.6643384909325736
Energy: 1.3532298456729728
Energy: 1.4392234790680494
Energy: 1.4162967886865603
Energy: 1.4392234790662393
Energy: 1.4162967886865603
Energy: 1.4392234790675966
Energy: 1.4162967886861078

minimum gb energy = 1.3532298456725205 eV
minimum distance =  2.34157350539895 Angstroms
sigma value = 51


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

Energy: 1.5495078696494562
Energy: 1.5768008675781182
Energy: 1.5495078696494562
Energy: 1.5768008675781182
Energy: 1.5495078696494562
Energy: 1.5768008675781182
Energy: 1.6678397443356603
Energy: 1.516455524157744
Energy: 1.6678397443367086
Energy: 1.516455524157744
Energy: 1.6678397443356603
Energy: 1.516455524157744
Energy: 1.4828988900827378
Energy: 1.555987305387414
Energy: 1.4828988900827378
Energy: 1.5559873053884627
Energy: 1.4828988900827378
Energy: 1.5559873053884627
Energy: 1.5393336839362364
Energy: 1.4030821423809732
Energy: 1.539333683935188
Energy: 1.4030821423809732
Energy: 1.539333683935188
Energy: 1.4030821423809732
Energy: 1.6036017416931023
Energy: 1.5000212672380089
Energy: 1.6036017416910056
Energy: 1.5000212672380089
Energy: 1.603601741692054
Energy: 1.5000212672380089
Energy: 1.6023136641701983
Energy: 1.5001128533784804
Energy: 1.60231366416915
Energy: 1.500112853377432
Energy: 1.6023136641701983
Energy: 1.500112853377432
Energy: 1.5490383719827119
Energy: 1.499433208290538
Energy: 1.5490383719827119
Energy: 1.4994332082915862
Energy: 1.5490383719827119
Energy: 1.4994332082915862
Energy: 1.4420129332033014
Energy: 1.5005023944895326
Energy: 1.4420129332033014
Energy: 1.500502394488484
Energy: 1.4420129332033014
Energy: 1.5005023944895326
Energy: 1.7763791877511559
Energy: 1.4028920076092848
Energy: 1.7763791877511559
Energy: 1.4028920076092848
Energy: 1.7763791877522044
Energy: 1.4028920076092848
Energy: 1.431887972593297
Energy: 1.7664271230686717
Energy: 1.4318879725943456
Energy: 1.766427123067623
Energy: 1.431887972593297
Energy: 1.766427123067623
Energy: 1.6619701440677939
Energy: 1.4010924898820425
Energy: 1.6619701440677939
Energy: 1.4010924898820425
Energy: 1.6619701440688421
Energy: 1.4010924898820425
Energy: 1.5468535374603098
Energy: 1.5797549845753314
Energy: 1.5468535374603098
Energy: 1.5797549845753314
Energy: 1.5468535374603098
Energy: 1.5797549845753314
Energy: 1.670670573097801
Energy: 1.51345227233253
Energy: 1.6706705730988496
Energy: 1.51345227233253
Energy: 1.670670573097801
Energy: 1.51345227233253
Energy: 1.4832609179622593
Energy: 1.4709060118247126
Energy: 1.4832609179622593
Energy: 1.4709060118247126
Energy: 1.4832609179622593
Energy: 1.4709060118247126
Energy: 1.5782683876957353
Energy: 1.548841128622103
Energy: 1.5782683876957353
Energy: 1.5488411286210548
Energy: 1.5782683876957353
Energy: 1.5488411286210548
Energy: 1.5877078069892239
Energy: 1.4998833468946449
Energy: 1.5877078069881754
Energy: 1.4998833468946449
Energy: 1.5877078069881754
Energy: 1.4998833468956934
Energy: 1.602162904110028
Energy: 1.6194140378501016
Energy: 1.602162904110028
Energy: 1.6194140378501016
Energy: 1.602162904110028
Energy: 1.6194140378490531
Energy: 1.547507475888355
Energy: 1.4995556103565946
Energy: 1.547507475888355
Energy: 1.4995556103565946
Energy: 1.547507475888355
Energy: 1.4995556103565946

minimum gb energy = 1.4010924898820425 eV
minimum distance =  2.25585339621986 Angstroms
sigma value = 19


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

Energy: 1.36543137116787
Energy: 1.4081670915151596
Energy: 1.3093713779232043
Energy: 1.4081670915151596
Energy: 1.365431371167248
Energy: 1.4081670915157816
Energy: 1.5548418199784806
Energy: 1.5786358731349903
Energy: 1.5548418199784806
Energy: 1.5786358731343686
Energy: 1.5548418199778589
Energy: 1.5786358731343686
Energy: 1.3112759689301157
Energy: 1.5645688524082615
Energy: 1.3112759689313596
Energy: 1.5645688524082615
Energy: 1.3112759689301157
Energy: 1.5645688524076395
Energy: 1.4535108701194497
Energy: 1.3111126435807512
Energy: 1.4535108701200716
Energy: 1.3111126435807512
Energy: 1.4535108701200716
Energy: 1.3111126435807512
Energy: 1.3582497137770373
Energy: 1.3066938384278455
Energy: 1.3582497137757936
Energy: 1.3066938384284676
Energy: 1.3582497137764158
Energy: 1.3066938384290894
Energy: 1.288969173788738
Energy: 1.3067810506832327
Energy: 1.2889691737881164
Energy: 1.3067810506832327
Energy: 1.28896917378936
Energy: 1.3067810506832327
Energy: 1.3870706837588256
Energy: 1.3112226753384386
Energy: 1.3870706837594478
Energy: 1.3112226753378167
Energy: 1.3870706837588256
Energy: 1.3112226753371947
Energy: 1.3111954880125738
Energy: 1.649820441915086
Energy: 1.3111942821105145
Energy: 1.6498204419157079
Energy: 1.3111954880125738
Energy: 1.649820441915086
Energy: 1.4973375770195043
Energy: 1.5977679960593398
Energy: 1.4973375770188824
Energy: 1.597767996058718
Energy: 1.4973375770195043
Energy: 1.5977679960593398
Energy: 1.3093713779232043
Energy: 1.4081670915145377
Energy: 1.3093713779232043
Energy: 1.4081670915151596
Energy: 1.3093713779232043
Energy: 1.4081670915157816
Energy: 1.5548418199784806
Energy: 1.5786358731349903
Energy: 1.5548418199778589
Energy: 1.5786358731349903
Energy: 1.5548418199778589
Energy: 1.5786358731343686
Energy: 1.3112759689307376
Energy: 1.5645688524088834
Energy: 1.3112759689313596
Energy: 1.5645688524088834
Energy: 1.3112759689307376
Energy: 1.5645688524082615
Energy: 1.4535108701194497
Energy: 1.311108844491734
Energy: 1.4535108701200716
Energy: 1.3111088444923562
Energy: 1.4535108701200716
Energy: 1.3111088444936
Energy: 1.3582497137770373
Energy: 1.3066938384290894
Energy: 1.3582497137757936
Energy: 1.3066938384290894
Energy: 1.3582497137770373
Energy: 1.3066938384297113
Energy: 1.2889691737881164
Energy: 1.3067810506826107
Energy: 1.288969173788738
Energy: 1.3067810506826107
Energy: 1.288969173788738
Energy: 1.3067810506832327
Energy: 1.3870706837594478
Energy: 1.3112226753384386
Energy: 1.3870706837600695
Energy: 1.3112226753384386
Energy: 1.3870706837594478
Energy: 1.3112226753378167
Energy: 1.3112356600598933
Energy: 1.649820441915086
Energy: 1.3112125763570364
Energy: 1.649820441915086
Energy: 1.3112356600598933
Energy: 1.649820441915086
Energy: 1.5016564999883901
Energy: 1.597767996058718
Energy: 1.4973375770195043
Energy: 1.597767996058718
Energy: 1.5016564999883901
Energy: 1.5977679960599618
Energy: 1.365431371167248
Energy: 1.4081670915151596
Energy: 1.3093713779232043
Energy: 1.4081670915151596
Energy: 1.36543137116787
Energy: 1.4081670915157816
Energy: 1.5548418199784806
Energy: 1.5786358731349903
Energy: 1.5548418199784806
Energy: 1.5786358731349903
Energy: 1.5548418199784806
Energy: 1.5786358731343686
Energy: 1.3112759689301157
Energy: 1.5645688524076395
Energy: 1.3112759689307376
Energy: 1.5645688524076395
Energy: 1.3112759689307376
Energy: 1.5645688524076395
Energy: 1.4535108701200716
Energy: 1.3111126435795075
Energy: 1.4535108701200716
Energy: 1.3111126435795075
Energy: 1.4535108701194497
Energy: 1.3111126435807512
Energy: 1.3582497137764158
Energy: 1.3066938384284676
Energy: 1.3582497137757936
Energy: 1.3066938384284676
Energy: 1.3582497137764158
Energy: 1.3066938384290894
Energy: 1.288969173788738
Energy: 1.3067810506832327
Energy: 1.288969173788738
Energy: 1.3067810506832327
Energy: 1.288969173788738
Energy: 1.3067810506838546
Energy: 1.3870706837594478
Energy: 1.3112226753378167
Energy: 1.3870706837600695
Energy: 1.3112226753378167
Energy: 1.3870706837594478
Energy: 1.3112226753371947
Energy: 1.3111954880125738
Energy: 1.649820441915086
Energy: 1.3111942821111366
Energy: 1.649820441915086
Energy: 1.3111954880125738
Energy: 1.649820441915086
Energy: 1.4973375770195043
Energy: 1.597767996058718
Energy: 1.4973375770182602
Energy: 1.5977679960580962
Energy: 1.4973375770195043
Energy: 1.597767996058718
Energy: 1.3093713779232043
Energy: 1.4081670915151596
Energy: 1.3093713779232043
Energy: 1.4081670915145377
Energy: 1.3093713779232043
Energy: 1.4081670915151596
Energy: 1.5548418199797245
Energy: 1.5786358731349903
Energy: 1.5548418199784806
Energy: 1.5786358731349903
Energy: 1.5548418199791025
Energy: 1.5786358731343686
Energy: 1.3112759689301157
Energy: 1.5645688524088834
Energy: 1.3112759689313596
Energy: 1.5645688524088834
Energy: 1.3112759689301157
Energy: 1.5645688524082615

minimum gb energy = 1.2889691737881164 eV
minimum distance =  2.26365389420847 Angstroms
sigma value = 27


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

Energy: 1.2812464155556988
Energy: 1.2424518922256107
Energy: 1.2812464155556988
Energy: 1.2424518922256107
Energy: 1.2812464155556988
Energy: 1.2424518922256107
Energy: 1.6545522975952671
Energy: 1.2861799855599065
Energy: 1.6545522975952671
Energy: 1.2861799855599065
Energy: 1.6545522975937434
Energy: 1.2861799855599065
Energy: 1.3557314815217647
Energy: 1.4336822177200406
Energy: 1.205602471108481
Energy: 1.4336822177200406
Energy: 1.3557314815232884
Energy: 1.4336822177200406
Energy: 1.4029841468952158
Energy: 1.206202514850989
Energy: 1.4029841468936926
Energy: 1.2062025148525122
Energy: 1.4029841468952158
Energy: 1.206202514850989
Energy: 1.6451067093010727
Energy: 1.2066171611433547
Energy: 1.6451067093010727
Energy: 1.2066171611433547
Energy: 1.6451067093010727
Energy: 1.2066171611433547
Energy: 1.4408089266363724
Energy: 1.4977696816049948
Energy: 1.4408089266378958
Energy: 1.4977696816034713
Energy: 1.4408089266378958
Energy: 1.4977696816049948
Energy: 1.2076035521384758
Energy: 1.2884572556864058
Energy: 1.2076035521384758
Energy: 1.2884572556848826
Energy: 1.2076035521399993
Energy: 1.2884572556848826
Energy: 1.277070498503514
Energy: 1.2487154964239642
Energy: 1.2770704985050376
Energy: 1.2487154964239642
Energy: 1.2770704985050376
Energy: 1.2487154964239642
Energy: 1.6196170954626743
Energy: 1.3263702830229473
Energy: 1.6196170954626743
Energy: 1.326370287119014
Energy: 1.6196170954626743
Energy: 1.3263702872378031
Energy: 1.3840897004566335
Energy: 1.4435640419698916
Energy: 1.3840897004566335
Energy: 1.4435640419698916
Energy: 1.3840897004566335
Energy: 1.4435640419698916
Energy: 1.3410481630412672
Energy: 1.2068511744998383
Energy: 1.3410481630412672
Energy: 1.2068511744998383
Energy: 1.3410481630412672
Energy: 1.2068511744998383
Energy: 1.496349657793499
Energy: 1.3663460360997715
Energy: 1.496349657793499
Energy: 1.3663460360997715
Energy: 1.496349657793499
Energy: 1.3663460360997715

minimum gb energy = 1.205602471108481 eV
minimum distance =  2.24682153816391 Angstroms
sigma value = 9


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

Energy: 1.242367332751302
Energy: 1.2659184439913906
Energy: 1.2423673327508737
Energy: 1.2659184439913906
Energy: 1.2423673327517302
Energy: 1.2659184439909623
Energy: 1.2987388166379181
Energy: 1.141261940118751
Energy: 1.2987388166366338
Energy: 1.2034478548307364
Energy: 1.2987388166396303
Energy: 1.2034478548307364
Energy: 1.1342950265137952
Energy: 1.348303839225092
Energy: 1.1342950265137952
Energy: 1.348303839228088
Energy: 1.1342950265142235
Energy: 1.348303839225092
Energy: 1.125121509026711
Energy: 1.0949412336840496
Energy: 1.125121509025855
Energy: 1.0949412336844777
Energy: 1.125121509025855
Energy: 1.0949412336849058
Energy: 1.2230622561123612
Energy: 1.170883141690885
Energy: 1.223062256111933
Energy: 1.170883141690885
Energy: 1.223062256111933
Energy: 1.170883141691313
Energy: 1.2190418572984143
Energy: 1.2509003047249845
Energy: 1.2190418572988424
Energy: 1.226097708118826
Energy: 1.2190418572984143
Energy: 1.226097708119254
Energy: 1.1515214920339432
Energy: 1.2731959991572641
Energy: 1.1515214920330872
Energy: 1.2731959991585484
Energy: 1.1515214920335153
Energy: 1.273195999157692
Energy: 1.0672375252637287
Energy: 1.3149146112449737
Energy: 1.0672375252633006
Energy: 1.3149146112449737
Energy: 1.0672375252641568
Energy: 1.3149146112454018
Energy: 1.2450776204555716
Energy: 1.1709937965556008
Energy: 1.2450776204508631
Energy: 1.1709937965598811
Energy: 1.2450776204500071
Energy: 1.1709937965568848
Energy: 1.2265852517783447
Energy: 1.5657882186233532
Energy: 1.2265852517779166
Energy: 1.565788218622497
Energy: 1.2265852517792009
Energy: 1.565788218623781
Energy: 1.1288535246482572
Energy: 1.1000232679426727
Energy: 1.1288535246478293
Energy: 1.1000232679426727
Energy: 1.128853524648685
Energy: 1.1000232679426727
Energy: 1.1612451135611648
Energy: 1.3028128643604113
Energy: 1.1612451135603088
Energy: 1.3028128643578432
Energy: 1.1612451135603088
Energy: 1.302812864357415
Energy: 1.1903226750550293
Energy: 1.2084490988939585
Energy: 1.1903226750554574
Energy: 1.2084490988939585
Energy: 1.1903226750550293
Energy: 1.2084490988943866
Energy: 1.238836591024093
Energy: 1.5960358111642678
Energy: 1.238836591024949
Energy: 1.5960358111634116
Energy: 1.238836591024093
Energy: 1.5960358111638397
Energy: 1.1123490926130926
Energy: 1.2333132591981266
Energy: 1.1123490926135209
Energy: 1.2333132591985543
Energy: 1.112349092612665
Energy: 1.2333132591981266
Energy: 1.1360739962292463
Energy: 1.1526093947452876
Energy: 1.1360739962279622
Energy: 1.1526093947440035
Energy: 1.1360739962292463
Energy: 1.1526093947440035
Energy: 1.4510175065309043
Energy: 1.0945941430468185
Energy: 1.4510175065309043
Energy: 1.0945941430472468
Energy: 1.4510175065304767
Energy: 1.0945941430459625
Energy: 1.1241518081964095
Energy: 1.172107529344797
Energy: 1.1241518081972655
Energy: 1.172107529344797
Energy: 1.1241518081964095
Energy: 1.172107529347365
Energy: 1.0633648588101854
Energy: 1.518724976541007
Energy: 1.063364858808901
Energy: 1.5187249765414348
Energy: 1.0633648588101854
Energy: 1.518724976541863
Energy: 1.5630965047589864
Energy: 1.3472297504889985
Energy: 1.5630965047577021
Energy: 1.3771617008163048
Energy: 1.5630965047585583
Energy: 1.3771617008193011
Energy: 1.0633340337570056
Energy: 1.5265931442459686
Energy: 1.0633340337574337
Energy: 1.5265931442455405
Energy: 1.0633340337574337
Energy: 1.5265931442459686
Energy: 1.124339374956856
Energy: 1.1722807554609447
Energy: 1.124339374955572
Energy: 1.1722807554609447
Energy: 1.124339374957284
Energy: 1.1722807554622288
Energy: 1.4507576842468772
Energy: 1.0945060360372698
Energy: 1.4507576842473053
Energy: 1.0945060360368417
Energy: 1.4507576842477332
Energy: 1.0945060360372698
Energy: 1.1360493306086594
Energy: 1.2150242040352268
Energy: 1.1360493306108
Energy: 1.2150242040352268
Energy: 1.1360493306095156
Energy: 1.2150242040347987
Energy: 1.1122969410390644
Energy: 1.2333368271307903
Energy: 1.1122969410390644
Energy: 1.2333368271312182
Energy: 1.1122969410403483
Energy: 1.2333368271307903
Energy: 1.2391563286055665
Energy: 1.3503508127097121
Energy: 1.2391563286047107
Energy: 1.3503508127097121
Energy: 1.2391563286051384
Energy: 1.350350812709284
Energy: 1.188794372530067
Energy: 1.207990937645548
Energy: 1.188794372530923
Energy: 1.20799093764512
Energy: 1.1887943725296388
Energy: 1.207990937645548
Energy: 1.1613212346386195
Energy: 1.1786467564443086
Energy: 1.1613212346390476
Energy: 1.1786467564447365
Energy: 1.1613212346386195
Energy: 1.1786467564443086
Energy: 1.1288307307302745
Energy: 1.0999401542642961
Energy: 1.1288307307298464
Energy: 1.0999401542651521
Energy: 1.1288307307298464
Energy: 1.0999401542647238
Energy: 1.2257378247790276
Energy: 1.3210020081270661
Energy: 1.2257378247773156
Energy: 1.3210020081274945
Energy: 1.2257378247768873
Energy: 1.3210020081279226
Energy: 1.2456146263727392
Energy: 1.1715563747833373
Energy: 1.2456146263740233
Energy: 1.1715563747841933
Energy: 1.2456146263740233
Energy: 1.1715563747833373
Energy: 1.067394663698478
Energy: 1.3149868873166282
Energy: 1.0673946636993341
Energy: 1.3149868873166282
Energy: 1.06739466369805
Energy: 1.3149868873170563
Energy: 1.1517203305868047
Energy: 1.272461647426382
Energy: 1.1517203305855206
Energy: 1.2724616474255261
Energy: 1.1517203305863766
Energy: 1.2724616474259538
Energy: 1.2191953246728657
Energy: 1.2197120819272746
Energy: 1.2191953246724376
Energy: 1.2197120819272746
Energy: 1.21919532467415
Energy: 1.2197120819272746
Energy: 1.2230377513314656
Energy: 1.1712508106670187
Energy: 1.2230377513310378
Energy: 1.1712508106665904
Energy: 1.2230377513310378
Energy: 1.1712508106665904
Energy: 1.1251780294678422
Energy: 1.0947479829495501
Energy: 1.1251780294682698
Energy: 1.0947479829499782
Energy: 1.1251780294674139
Energy: 1.0947479829504063
Energy: 1.134359971425749
Energy: 1.34856438433018
Energy: 1.1343599714240369
Energy: 1.3485643843327484
Energy: 1.134359971424465
Energy: 1.34856438433018
Energy: 1.2990905536609205
Energy: 1.185137452436339
Energy: 1.2990905536613488
Energy: 1.185137452436339
Energy: 1.2990905536596364
Energy: 1.185137452436767
Energy: 1.2423673327500178
Energy: 1.2659184439913906
Energy: 1.242367332750446
Energy: 1.2659184439918187
Energy: 1.2423673327500178
Energy: 1.2659184439918187
Energy: 1.2987388166396303
Energy: 1.2034478548320202
Energy: 1.2987388166387739
Energy: 1.2034478548311642
Energy: 1.2987388166387739
Energy: 1.2034478548315926
Energy: 1.1342950265142235
Energy: 1.3483038392276603
Energy: 1.1342950265137952
Energy: 1.3483038392306563
Energy: 1.1342950265137952
Energy: 1.3483038392298003
Energy: 1.1251215090249986
Energy: 1.094941233687046
Energy: 1.1251215090245708
Energy: 1.0949412336866178
Energy: 1.1251215090249986
Energy: 1.0949412336861901
Energy: 1.2230622561127893
Energy: 1.1708831416925969
Energy: 1.2230622561132172
Energy: 1.1708831416925969
Energy: 1.2230622561127893
Energy: 1.170883141692169

minimum gb energy = 1.0633340337570056 eV
minimum distance =  2.31332242175028 Angstroms
sigma value = 57


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

Energy: 0.6839966572164435
Energy: 0.6733158653797832
Energy: 0.5358191725426155
Energy: 0.6733158653797832
Energy: 0.6839966572164435
Energy: 0.6733158653788088
Energy: 0.8229068785050402
Energy: 0.680368685973581
Energy: 0.8229068785060146
Energy: 0.6803686859745555
Energy: 0.8229068785069891
Energy: 0.680368685973581
Energy: 0.729879683924536
Energy: 1.3270833785582312
Energy: 0.729879683924536
Energy: 1.3270833785582312
Energy: 0.729879683924536
Energy: 1.3270833785601799
Energy: 0.674741808250869
Energy: 0.5355039240707254
Energy: 0.674741808250869
Energy: 0.5355039240707254
Energy: 0.6747418082518434
Energy: 0.5355039240716999
Energy: 0.6942116765740649
Energy: 0.8279429768616178
Energy: 0.6942116765730905
Energy: 0.8279429768625922
Energy: 0.6942116765740649
Energy: 0.8279429768625922
Energy: 0.535669899146521
Energy: 0.7302565675095662
Energy: 0.535669899146521
Energy: 0.7302565675095662
Energy: 0.535669899146521
Energy: 0.7302565675095662
Energy: 0.5356808875313815
Energy: 0.6045862074584848
Energy: 0.5356808875313815
Energy: 0.6045862074594591
Energy: 0.5356808875313815
Energy: 0.6045862074594591
Energy: 0.8232862735734233
Energy: 0.7004567450052119
Energy: 0.8232862735734233
Energy: 0.7004567450042375
Energy: 0.8232862735734233
Energy: 0.7004567450042375
Energy: 0.6749426537458634
Energy: 0.5355026950599328
Energy: 0.6749426537458634
Energy: 0.5355026950599328
Energy: 0.6749426537458634
Energy: 0.5355026950589584
Energy: 0.6043860669266792
Energy: 0.8220009603853677
Energy: 0.6043860669276536
Energy: 0.8220009603843933
Energy: 0.6043860669286278
Energy: 0.8220009603853677
Energy: 0.6940490263234632
Energy: 0.8727751599649324
Energy: 0.694049026325412
Energy: 0.8727751599659067
Energy: 0.6940490263234632
Energy: 0.8727751599668812
Energy: 0.6839966572174179
Energy: 0.6733158653788088
Energy: 0.5358191725426155
Energy: 0.6733158653788088
Energy: 0.6839966572174179
Energy: 0.6733158653778345
Energy: 0.8229068785050402
Energy: 0.680368685973581
Energy: 0.8229068785060146
Energy: 0.680368685973581
Energy: 0.8229068785060146
Energy: 0.680368685973581
Energy: 0.7298796839235615
Energy: 1.3270833785572567
Energy: 0.7298796839235615
Energy: 1.3270833785582312
Energy: 0.7298796839235615
Energy: 1.3270833785592056
Energy: 0.6747418082518434
Energy: 0.5355039240716999
Energy: 0.6747418082518434
Energy: 0.5355039240716999
Energy: 0.6747418082518434
Energy: 0.5355039240726741
Energy: 0.6942116765740649
Energy: 0.8279429768616178
Energy: 0.6942116765740649
Energy: 0.8279429768625922
Energy: 0.6942116765740649
Energy: 0.8279429768625922
Energy: 0.5356698991474953
Energy: 0.7302565675095662
Energy: 0.535669899146521
Energy: 0.7302565675095662
Energy: 0.5356698991484697
Energy: 0.7302565675085919
Energy: 0.5356808875313815
Energy: 0.6045862074594591
Energy: 0.5356808875313815
Energy: 0.6045862074594591
Energy: 0.5356808875313815
Energy: 0.6045862074604335
Energy: 0.823286273572449
Energy: 0.7004567450042375
Energy: 0.8232862735734233
Energy: 0.700456745003263
Energy: 0.823286273572449
Energy: 0.7004567450042375

minimum gb energy = 0.5355026950589584 eV
minimum distance =  2.4070582791715 Angstroms
sigma value = 11


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

Energy: 1.1103202106491534
Energy: 1.1657776897810712
Energy: 1.1103202106491534
Energy: 1.1657776897810712
Energy: 1.1103202106491534
Energy: 1.1657776897803576
Energy: 1.264577173986458
Energy: 1.155358010582995
Energy: 1.2645771739850304
Energy: 1.1553580105837087
Energy: 1.264577173985744
Energy: 1.1553580105837087
Energy: 1.3225589284932515
Energy: 1.6244358779568129
Energy: 1.379117591215585
Energy: 1.6244358779568129
Energy: 1.3426155729664528
Energy: 1.6244358779575265
Energy: 1.3635220200192029
Energy: 0.9938106856110137
Energy: 1.3635220200192029
Energy: 0.9938106856103001
Energy: 1.3635220200192029
Energy: 0.9938106856110137
Energy: 1.13351877109646
Energy: 0.9367687842253324
Energy: 1.1335187710950325
Energy: 0.9367687842246186
Energy: 1.1335187710957464
Energy: 0.9367687842253324
Energy: 1.1234345382490158
Energy: 1.0663515249962834
Energy: 1.1234345382497297
Energy: 1.0663515249969973
Energy: 1.1234345382483022
Energy: 1.0663515249962834
Energy: 0.9658987103808815
Energy: 1.3350419997492866
Energy: 0.9658987103823089
Energy: 1.3350419997492866
Energy: 0.9658987103823089
Energy: 1.3350419997492866
Energy: 1.1735126633902044
Energy: 0.9046755175172507
Energy: 1.1735126633909179
Energy: 0.904675517516537
Energy: 1.1735126633909179
Energy: 0.9046755175172507
Energy: 1.1700452938583017
Energy: 0.9207122778334335
Energy: 1.1700452938590153
Energy: 0.9207122778327197
Energy: 1.1700452938590153
Energy: 0.9207122778334335
Energy: 0.9245503204921951
Energy: 1.4423642257775768
Energy: 0.9245503204929088
Energy: 1.4423642257775768
Energy: 0.9245503204936225
Energy: 1.4423642257775768
Energy: 1.1467244163632515
Energy: 1.427125060610053
Energy: 1.146724416361824
Energy: 1.4271250606107664
Energy: 1.1467244163632515
Energy: 1.427125060610053
Energy: 1.1353859986338377
Energy: 0.9369313660799468
Energy: 1.1353859986338377
Energy: 0.9369313660799468
Energy: 1.1353859986324104
Energy: 0.9369313660799468
Energy: 1.2021764818089342
Energy: 0.9995379987170387
Energy: 1.2021764818082206
Energy: 0.9995379987156113
Energy: 1.2021764818082206
Energy: 0.9995379987170387
Energy: 1.273995883080764
Energy: 1.5921216851544202
Energy: 1.273995883080764
Energy: 1.5921216851537068
Energy: 1.2739958830800502
Energy: 1.5921216851544202
Energy: 1.2412737829563154
Energy: 1.1546396999951767
Energy: 1.2412737829577427
Energy: 1.1546396999951767
Energy: 1.2412737829570293
Energy: 1.154639699994463
Energy: 1.0218971548929527
Energy: 1.1659817541236879
Energy: 1.0218971548929527
Energy: 1.1659817541236879
Energy: 1.0218971548915254
Energy: 1.1659817541229738
Energy: 1.0475856020222165
Energy: 1.1340577781496815
Energy: 1.0475856020222165
Energy: 1.1340577781496815
Energy: 1.0475856020215024
Energy: 1.1340577781489676
Energy: 1.4557410479755113
Energy: 1.552737297911763
Energy: 1.4557410479755113
Energy: 1.552737297911763
Energy: 1.4557410479755113
Energy: 1.552737297911763
Energy: 1.3588619036866476
Energy: 0.9894026898455732
Energy: 1.358861903685934
Energy: 0.9894026898455732
Energy: 1.358861903685934
Energy: 0.9894026898448594
Energy: 1.134907772202311
Energy: 1.0684116909920225
Energy: 1.134907772202311
Energy: 1.0684116909920225
Energy: 1.1349077722015972
Energy: 1.0684116909927366
Energy: 0.9261767727597645
Energy: 1.0677250203943354
Energy: 0.9261767727611919
Energy: 1.0677250203950492
Energy: 0.9261767727597645
Energy: 1.0677250203936217
Energy: 1.2213145083153483
Energy: 1.3354585464633824
Energy: 1.2213145083117793
Energy: 1.3354585464633824
Energy: 1.221314508316062
Energy: 1.3354585464633824
Energy: 1.1967415353236999
Energy: 1.0929105818060199
Energy: 1.1967415353236999
Energy: 1.0929105818067335
Energy: 1.1967415353244137
Energy: 1.0929105818067335
Energy: 1.1706493614169557
Energy: 1.034210224440739
Energy: 1.170649361416242
Energy: 1.034210224440739
Energy: 1.1706493614169557
Energy: 1.034210224440739
Energy: 0.9260232178050419
Energy: 1.4025056973438879
Energy: 0.9260232178043283
Energy: 1.4025056973438879
Energy: 0.9260232178050419
Energy: 1.4025056973446017
Energy: 1.6402499028680237
Energy: 1.429414577090444
Energy: 1.6402499028694515
Energy: 1.4294145770911577
Energy: 1.640249902870165
Energy: 1.429414577090444

minimum gb energy = 0.904675517516537 eV
minimum distance =  2.300172021511 Angstroms
sigma value = 41


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

Energy: 1.260839068223426
Energy: 1.0945718652414407
Energy: 1.260839068223426
Energy: 1.0945718652414407
Energy: 1.2608390682239887
Energy: 1.0945718652414407
Energy: 1.3201169962221557
Energy: 1.3516604801329843
Energy: 1.3201169962221557
Energy: 1.3516604801329843
Energy: 1.320116996222718
Energy: 1.3516604801329843
Energy: 1.6096942387806428
Energy: 1.8453661299049833
Energy: 1.6096942387806428
Energy: 1.8453661299049833
Energy: 1.6096942387806428
Energy: 1.8453661299049833
Energy: 1.2771035947378873
Energy: 1.0434942811669023
Energy: 1.2771035947378873
Energy: 1.043494281165777
Energy: 1.2771035947373248
Energy: 1.0434942811652146
Energy: 1.0112211807646716
Energy: 1.0938356905927038
Energy: 1.0112211807646716
Energy: 1.0938356905927038
Energy: 1.011221180765234
Energy: 1.0938356905927038
Energy: 1.2930359651891723
Energy: 1.2763449509795917
Energy: 1.2930359651891723
Energy: 1.276344950980154
Energy: 1.2930359651886096
Energy: 1.276344950980154
Energy: 1.051668574971618
Energy: 1.439945849121096
Energy: 1.0516685749710555
Energy: 1.4399458491216584
Energy: 1.051668574971618
Energy: 1.439945849121096
Energy: 1.030257947508828
Energy: 1.0437865718061898
Energy: 1.0302579475082654
Energy: 1.0437865718061898
Energy: 1.030257947508828
Energy: 1.0437865718061898
Energy: 1.0228079521245381
Energy: 1.0699077553660552
Energy: 1.0228079521245381
Energy: 1.0699077553654925
Energy: 1.0228079521245381
Energy: 1.0699077553660552
Energy: 1.1313860989181677
Energy: 1.5633881870601958
Energy: 1.13138609891648
Energy: 1.5633881870596331
Energy: 1.1313860989181677
Energy: 1.5633881870601958
Energy: 1.1342239336600373
Energy: 1.558272705060898
Energy: 1.1342239336606
Energy: 1.5582727050603353
Energy: 1.1342239336600373
Energy: 1.558272705060898
Energy: 1.0329130051156752
Energy: 1.216733670831474
Energy: 1.0329130051156752
Energy: 1.2167336708309113
Energy: 1.0329130051156752
Energy: 1.2167336708309113
Energy: 1.021372480964501
Energy: 1.065961105314237
Energy: 1.0213724809650635
Energy: 1.0659611053136748
Energy: 1.0213724809639384
Energy: 1.0659611053136748
Energy: 0.9795515048411542
Energy: 1.4508243952453244
Energy: 0.9795515048411542
Energy: 1.4508243952464497
Energy: 0.9795515048411542
Energy: 1.4508243952464497
Energy: 1.2883069313963962
Energy: 1.27618827559355
Energy: 1.2883069313963962
Energy: 1.276188275594675
Energy: 1.2883069313963962
Energy: 1.276188275594675
Energy: 1.0197454423669616
Energy: 1.21456420914232
Energy: 1.0197454423669616
Energy: 1.2145642091462578
Energy: 1.019745442367524
Energy: 1.2145642091456954
Energy: 1.0432805530323424
Energy: 1.0662445026382237
Energy: 1.043280553032905
Energy: 1.0662445026376615
Energy: 1.0432805530323424
Energy: 1.0662445026376615
Energy: 1.3717741682466023
Energy: 1.844674905798255
Energy: 1.3717741682471651
Energy: 1.844674905798255
Energy: 1.3717741682466023
Energy: 1.8446749057988177
Energy: 1.354756242229449
Energy: 1.3472512368599041
Energy: 1.3547562422277615
Energy: 1.3472512368593417
Energy: 1.3547562422288864
Energy: 1.3472512368599041
Energy: 1.131520430174354
Energy: 1.388006912389118
Energy: 1.131520430174354
Energy: 1.3880069123896805
Energy: 1.131520430174354
Energy: 1.388006912389118
Energy: 1.0236792282614389
Energy: 1.353446643616683
Energy: 1.0236792282614389
Energy: 1.3534466436172456
Energy: 1.0236792282608764
Energy: 1.353446643616683
Energy: 1.6086427804963828
Energy: 1.675543489243082
Energy: 1.6086427804963828
Energy: 1.675543489241957
Energy: 1.6086427804963828
Energy: 1.675543489243082
Energy: 1.2210710627150694
Energy: 1.0406926161105372
Energy: 1.221071062714507
Energy: 1.040692616109975
Energy: 1.2210710627150694
Energy: 1.0406926161105372
Energy: 1.0196261866494611
Energy: 1.3819019345893917
Energy: 1.0196261866488987
Energy: 1.3819019345899541
Energy: 1.0196261866488987
Energy: 1.3819019345899541
Energy: 0.9797290018646699
Energy: 1.4262630371265945
Energy: 0.9797290018646699
Energy: 1.4262630371265945
Energy: 0.9797290018652324
Energy: 1.4262630371265945
Energy: 1.0516965577469535
Energy: 1.0516454463993974
Energy: 1.051696557746391
Energy: 1.0516454463993974
Energy: 1.0516965577475161
Energy: 1.0516454463982723
Energy: 1.0213284061498094
Energy: 1.0411189144025006
Energy: 1.0213284061498094
Energy: 1.041118914401938
Energy: 1.0213284061498094
Energy: 1.0411189144025006
Energy: 1.0226021012086193
Energy: 1.3529741242673368
Energy: 1.0226021012086193
Energy: 1.3529741242667745
Energy: 1.0226021012086193
Energy: 1.3529741242667745
Energy: 1.13154246483233
Energy: 1.3860977838797341
Energy: 1.13154246483233
Energy: 1.3860977838797341
Energy: 1.1315424648328924
Energy: 1.3860977838802966
Energy: 1.2425037118479636
Energy: 0.9786522006876404
Energy: 1.2425037118468385
Energy: 0.9786522006876404
Energy: 1.2425037118474012
Energy: 0.9786522006876404
Energy: 1.0070346156033467
Energy: 1.2122585724592838
Energy: 1.0070346156022216
Energy: 1.2122585724587214
Energy: 1.0070346156022216
Energy: 1.2122585724592838
Energy: 1.054772363534996
Energy: 1.0651528788261315
Energy: 1.0547723635355584
Energy: 1.0651528788261315
Energy: 1.0547723635355584
Energy: 1.0651528788266942
Energy: 0.9880609735341631
Energy: 1.2413182161456124
Energy: 0.9880609735341631
Energy: 1.2413182161456124
Energy: 0.9880609735341631
Energy: 1.2413182161456124

minimum gb energy = 0.9786522006876404 eV
minimum distance =  2.3407487293077 Angstroms
sigma value = 33


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

Energy: 1.1953400635080795
Energy: 1.1190347725256224
Energy: 1.195340063509659
Energy: 1.1190347725252636
Energy: 1.1953400635088693
Energy: 1.1190347725256224
Energy: 1.2333762335094893
Energy: 1.0588738127063697
Energy: 1.2333762335082692
Energy: 1.05887381270558
Energy: 1.2333762335090588
Energy: 1.05887381270558
Energy: 1.465772440745873
Energy: 1.298021167719512
Energy: 1.4657724407466626
Energy: 1.2980211677199427
Energy: 1.4657724407466626
Energy: 1.2980211677183635
Energy: 1.1452569009877018
Energy: 1.0755212760062527
Energy: 1.1452569009841846
Energy: 1.0755212760062527
Energy: 1.1452569009857638
Energy: 1.0755212760070425
Energy: 1.1079017996506197
Energy: 1.0747394634047844
Energy: 1.1079017996501888
Energy: 1.0747394634138292
Energy: 1.1079017996514091
Energy: 1.0747394634055742
Energy: 1.4559121800815877
Energy: 1.1079562822290474
Energy: 1.4559121800811572
Energy: 1.1079562822286881
Energy: 1.4559121800823773
Energy: 1.1079562822290474
Energy: 1.1265960005414555
Energy: 1.2483824943706414
Energy: 1.126596000540666
Energy: 1.248382494369062
Energy: 1.126596000540307
Energy: 1.2483824943678419
Energy: 1.1804169604150254
Energy: 1.2146626988535647
Energy: 1.1804169604150254
Energy: 1.2146626988535647
Energy: 1.180416960415384
Energy: 1.2146626988535647
Energy: 1.1378027115724645
Energy: 1.122115401726013
Energy: 1.1378027115661475
Energy: 1.1221154017255826
Energy: 1.1378027115649274
Energy: 1.1221154017255826
Energy: 1.5098363424038075
Energy: 1.0977754734728258
Energy: 1.509836342402228
Energy: 1.0977754734731846
Energy: 1.5098363424038075
Energy: 1.0977754734731846
Energy: 1.1791412614819838
Energy: 1.18018757186551
Energy: 1.1791412614807633
Energy: 1.1801875718658692
Energy: 1.179141261481553
Energy: 1.1801875718662995
Energy: 1.69695217145212
Energy: 1.0751925217296237
Energy: 1.6969521714513307
Energy: 1.0751925217292644
Energy: 1.6969521714516895
Energy: 1.075192521730054
Energy: 1.128356279058428
Energy: 1.1404960749145343
Energy: 1.1283562790579975
Energy: 1.1404960749101558
Energy: 1.1283562790592176
Energy: 1.1404960749133142
Energy: 1.2250566173516202
Energy: 1.1822275241467046
Energy: 1.2250566173516202
Energy: 1.1822275241467046
Energy: 1.2250566173519788
Energy: 1.1822275241471356
Energy: 1.2140461628867036
Energy: 1.1271114397178377
Energy: 1.2140461628854833
Energy: 1.1271114397174067
Energy: 1.2140461628862729
Energy: 1.1271114397174067
Energy: 1.1325730582059286
Energy: 1.4579880151123512
Energy: 1.1325730582063591
Energy: 1.4579880151119924
Energy: 1.1325730582055697
Energy: 1.4579880151119924
Energy: 1.4030203823014853
Energy: 1.1033651579401615
Energy: 1.4030203822978962
Energy: 1.1033651579401615
Energy: 1.4030203822908616
Energy: 1.1033651579405923
Energy: 1.0711182279804754
Energy: 1.1491796373492074
Energy: 1.0711182279800446
Energy: 1.149179637347987
Energy: 1.0711182279800446
Energy: 1.1491796373484178
Energy: 1.5074368284591981
Energy: 1.4614767915673574
Energy: 1.5074368284584085
Energy: 1.4614767915669986
Energy: 1.5074368284595572
Energy: 1.4614767915673574
Energy: 1.6794431701378987
Energy: 1.1261072085231787
Energy: 1.6794431701378987
Energy: 1.1261072085239683
Energy: 1.679443170137468
Energy: 1.126107208524399
Energy: 1.1151633179736238
Energy: 1.195872610235492
Energy: 1.1151633179739826
Energy: 1.1958726102362816
Energy: 1.115163317973193
Energy: 1.1958726102359227
Energy: 1.055961079970238
Energy: 1.2391113905582702
Energy: 1.0559610799690893
Energy: 1.2391113905582702
Energy: 1.055961079969448
Energy: 1.2391113905582702
Energy: 1.2147190888874273
Energy: 1.3904675026741298
Energy: 1.2147190888886474
Energy: 1.3904675026741298
Energy: 1.2147190888905859
Energy: 1.3904675026741298
Energy: 1.1044611553592496
Energy: 1.4376285626304572
Energy: 1.1044611553588903
Energy: 1.4376285626304572
Energy: 1.1044611553588903
Energy: 1.4376285626296677
Energy: 1.0811771343900916
Energy: 1.1035922426079532
Energy: 1.0811771343881533
Energy: 1.1035922426079532
Energy: 1.0811771343885124
Energy: 1.1035922426075944
Energy: 1.106528462435084
Energy: 1.455228622542981
Energy: 1.1065284624358733
Energy: 1.455228622542981
Energy: 1.1065284624291978
Energy: 1.455228622542981
Energy: 1.2349685854465777
Energy: 1.1295712477145228
Energy: 1.2349685854465777
Energy: 1.1295712477145228
Energy: 1.2349685854461474
Energy: 1.1295712477149535
Energy: 1.1906199426163724
Energy: 1.08207569408549
Energy: 1.1906199426183106
Energy: 1.08207569408549
Energy: 1.1906199426167314
Energy: 1.0820756940859206
Energy: 1.1237040057524497
Energy: 1.139309191844541
Energy: 1.123704005752019
Energy: 1.139309191840593
Energy: 1.1237040057524497
Energy: 1.1393091918358556
Energy: 1.090843307551401
Energy: 1.5077903883609092
Energy: 1.0908433075509705
Energy: 1.5077903883604784
Energy: 1.090843307551401
Energy: 1.5077903883604784
Energy: 1.1465379557033262
Energy: 1.0705458822321698
Energy: 1.146537955702106
Energy: 1.0705458822325287
Energy: 1.1465379557025366
Energy: 1.0705458822325287
Energy: 1.1043288129163524
Energy: 1.6990047488110218
Energy: 1.1043288129159219
Energy: 1.6990047488113804
Energy: 1.1043288129155628
Energy: 1.6990047488110218
Energy: 1.6804920899230227
Energy: 1.1307335540496108
Energy: 1.6804920899222329
Energy: 1.1307335540496108
Energy: 1.6804920899230227
Energy: 1.1307335540491799
Energy: 1.1786668021180755
Energy: 1.216613520423267
Energy: 1.1786668021176447
Energy: 1.2166135204228363
Energy: 1.1786668021188649
Energy: 1.2166135204228363
Energy: 1.178458587952816
Energy: 1.2166625155795134
Energy: 1.1784585879524574
Energy: 1.2166625155795134
Energy: 1.1784585879543954
Energy: 1.216662515578724
Energy: 1.680103756196503
Energy: 1.130720212936447
Energy: 1.680103756196503
Energy: 1.1307202129360163
Energy: 1.680103756196503
Energy: 1.1307202129360163
Energy: 1.1044343816319375
Energy: 1.6989249747918496
Energy: 1.1044343816319375
Energy: 1.6989249747914907
Energy: 1.1044343816322963
Energy: 1.6989249747914907
Energy: 1.1469807345034841
Energy: 1.070810620346307
Energy: 1.1469807345046326
Energy: 1.0708106203466659
Energy: 1.1469807345038427
Energy: 1.070810620346307
Energy: 1.0907820183435386
Energy: 1.5081444911367694
Energy: 1.0907820183431798
Energy: 1.5081444911363386
Energy: 1.0907820183435386
Energy: 1.5081444911359798
Energy: 1.1237738262944494
Energy: 1.1393243085403217
Energy: 1.1237738262932289
Energy: 1.139324308493807
Energy: 1.1237738262928703
Energy: 1.1393243084693294
Energy: 1.1906378450799073
Energy: 1.0727306922799758
Energy: 1.1906378450802664
Energy: 1.0727306922791862
Energy: 1.1906378450799073
Energy: 1.0727306922791862
Energy: 1.2345966113841758
Energy: 1.1294850009784316
Energy: 1.234596611383745
Energy: 1.1294850009784316
Energy: 1.234596611383745
Energy: 1.1294850009780728
Energy: 1.1064004324860828
Energy: 1.455117779501562
Energy: 1.1064004324857242
Energy: 1.4551177795019208
Energy: 1.1064004324860828
Energy: 1.455117779501562
Energy: 1.0743711063939934
Energy: 1.103539062752049
Energy: 1.0743711063932038
Energy: 1.103539062752049
Energy: 1.0743711063979415
Energy: 1.103539062752049
Energy: 1.1045152685614923
Energy: 1.4377276617497725
Energy: 1.1045152685610615
Energy: 1.4377276617501311
Energy: 1.1045152685610615
Energy: 1.4377276617501311
Energy: 1.2150562514272096
Energy: 1.3901855932306781
Energy: 1.2150562514279992
Energy: 1.3901855932306781
Energy: 1.2150562514295067
Energy: 1.390185593230319
Energy: 1.056249659742148
Energy: 1.2384959513107932
Energy: 1.056249659742148
Energy: 1.2384959513111522
Energy: 1.056249659741789
Energy: 1.238495951309214

minimum gb energy = 1.0559610799690893 eV
minimum distance =  2.32373494442301 Angstroms
sigma value = 67


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

Energy: 1.1841330546742628
Energy: 1.1175785116873165
Energy: 1.1841330546742628
Energy: 1.1175785116899548
Energy: 1.1841330546742628
Energy: 1.1175785116899548
Energy: 1.1047578386358026
Energy: 1.0850240404620395
Energy: 1.1047578386358026
Energy: 1.085024040459401
Energy: 1.1047578386358026
Energy: 1.085024040459401
Energy: 1.6841087268696864
Energy: 1.4351986399136971
Energy: 1.6841087268696864
Energy: 1.4351986399136971
Energy: 1.6841087268696864
Energy: 1.4351986399136971
Energy: 1.1047965422902095
Energy: 1.0850288638161805
Energy: 1.1047965422902095
Energy: 1.0850288638161805
Energy: 1.1047965422902095
Energy: 1.0850288638161805
Energy: 1.1841330546742628
Energy: 1.1175785116873165
Energy: 1.1841330546742628
Energy: 1.1175785116873165
Energy: 1.184133054676901
Energy: 1.1175785116873165
Energy: 1.1047578386358026
Energy: 1.0850240404620395
Energy: 1.1047578386358026
Energy: 1.0850240404620395
Energy: 1.1047578386358026
Energy: 1.0850240404620395
Energy: 1.0598927015846278
Energy: 1.4351986399136971
Energy: 1.0598927015819892
Energy: 1.4351986399136971
Energy: 1.0598927015819892
Energy: 1.4351986399136971

minimum gb energy = 1.0598927015819892 eV
minimum distance =  2.34067767648905 Angstroms
sigma value = 3


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

Energy: 1.6823443539419982
Energy: 1.2684269972284312
Energy: 1.6823443539419982
Energy: 1.2684269972284312
Energy: 1.6823443539419982
Energy: 1.2684269972284312
Energy: 1.3901413892013283
Energy: 1.2371421854809586
Energy: 1.3901413892013283
Energy: 1.2371421854809586
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Energy: 1.6361701856393538
Energy: 1.3604501129363962
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Energy: 1.6361701856393538
Energy: 1.263815427652367
Energy: 1.40043485476179
Energy: 1.263815427652367
Energy: 1.40043485476179
Energy: 1.263815427652367
Energy: 1.40043485476179
Energy: 1.711581087911326
Energy: 1.189993716087684
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Energy: 1.2443603444326587
Energy: 1.6688118042910112
Energy: 1.2443603444326587
Energy: 1.6688118042910112
Energy: 1.2443603444326587
Energy: 1.6688118042910112
Energy: 1.5054639159824623
Energy: 1.2356627567868927
Energy: 1.5054639159824623
Energy: 1.2356627567868927
Energy: 1.5054639159824623
Energy: 1.2356627567868927
Energy: 1.625556507534256
Energy: 1.3186056426314088
Energy: 1.6255565075378469
Energy: 1.3186056426314088
Energy: 1.625556507534256
Energy: 1.3186056426314088
Energy: 1.634105467989875
Energy: 1.2654574670549597
Energy: 1.634105467989875
Energy: 1.2654574670549597
Energy: 1.634105467989875
Energy: 1.2654574670585503
Energy: 1.3284065289128333
Energy: 1.3954125693967865
Energy: 1.3284065289128333
Energy: 1.3954125693967865
Energy: 1.3284065289128333
Energy: 1.3954125693967865
Energy: 1.3218814581161953
Energy: 1.2443114816748098
Energy: 1.3218814581161953
Energy: 1.244311481671219
Energy: 1.3218814581161953
Energy: 1.2443114816748098
Energy: 1.2638857246111097
Energy: 1.4297885824934822
Energy: 1.263885724607519
Energy: 1.4297885824934822
Energy: 1.263885724607519
Energy: 1.4297885824934822
Energy: 1.4705165002680078
Energy: 1.4016396562322497
Energy: 1.4705165002680078
Energy: 1.401639656228659
Energy: 1.4705165002644172
Energy: 1.4016396562322497
Energy: 1.3611512070155156
Energy: 1.4628183094973668
Energy: 1.3611512070119252
Energy: 1.4628183094937761
Energy: 1.3611512070119252
Energy: 1.4628183094937761

minimum gb energy = 1.1833352366561105 eV
minimum distance =  2.27454690249192 Angstroms
sigma value = 81


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

Energy: 1.3885090364867814
Energy: 1.3288224611430957
Energy: 1.321204944678509
Energy: 1.3288224611430957
Energy: 1.3885090364872743
Energy: 1.3288224611430957
Energy: 1.2607707987693335
Energy: 1.427930528839484
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Energy: 1.2607707987673622
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Energy: 1.6116046941606643
Energy: 1.554998536529157
Energy: 1.5200284410160112
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Energy: 1.4554417584620871
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Energy: 1.198502988281194
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Energy: 1.4024460556877254
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Energy: 1.6157615584262404
Energy: 1.1942882304572997
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Energy: 1.1942882304577924
Energy: 1.6157615584272258
Energy: 1.2316888990681076
Energy: 1.2740182184417066
Energy: 1.2316888990690933
Energy: 1.2740182184397355
Energy: 1.2316888990690933
Energy: 1.2740182184397355
Energy: 1.3356266605413842
Energy: 1.1921146591386063
Energy: 1.3356266605403986
Energy: 1.1921146591376206
Energy: 1.335626660539413
Energy: 1.1921146591381135
Energy: 1.3184443794623657
Energy: 1.2609281920839062
Energy: 1.3184886177699642
Energy: 1.2609281920843989
Energy: 1.318444379464337
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Energy: 1.555954049807053
Energy: 1.214353837680659
Energy: 1.5559540498060673
Energy: 1.2143538376821374
Energy: 1.5559540498060673
Energy: 1.2143538376821374
Energy: 1.455632285127495
Energy: 1.5967278637058906
Energy: 1.455632285125524
Energy: 1.5967278637049052
Energy: 1.455632285127988
Energy: 1.5967278637044122
Energy: 1.195068663464662
Energy: 1.3324271825614555
Energy: 1.1950686634641692
Energy: 1.3324271825644125
Energy: 1.1950686634651546
Energy: 1.3324271825644125
Energy: 1.1922571158499025
Energy: 1.244442836202697
Energy: 1.1922571158479311
Energy: 1.2444428362017113
Energy: 1.1922571158464528
Energy: 1.2444428362017113
Energy: 1.19483809171038
Energy: 1.1698705458689036
Energy: 1.194838091710873
Energy: 1.1698705458684109
Energy: 1.1948380917098873
Energy: 1.169870545867918
Energy: 1.4304503113139002
Energy: 1.751255258335231
Energy: 1.4304457142175206
Energy: 1.7512552583362169
Energy: 1.4304503113139002
Energy: 1.7512552583367098
Energy: 1.4661027134723978
Energy: 1.4539008897983774
Energy: 1.4661027134738764
Energy: 1.4539008897983774
Energy: 1.466102713474862
Energy: 1.4539008897993633
Energy: 1.318438624333088
Energy: 1.1953758906380132
Energy: 1.3184386243345663
Energy: 1.1953758906320995
Energy: 1.3184386243360449
Energy: 1.1953758906350564
Energy: 1.2360961907447379
Energy: 1.1924491015201357
Energy: 1.2360961907442451
Energy: 1.19244910151915
Energy: 1.2360961907447379
Energy: 1.192449101519643

minimum gb energy = 1.169870545867918 eV
minimum distance =  2.37058764486422 Angstroms
sigma value = 43


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

Energy: 1.538934739194674
Energy: 1.2915879576563647
Energy: 1.538934739194674
Energy: 1.2915879576563647
Energy: 1.538934739194674
Energy: 1.2915879576563647
Energy: 1.4275333013562659
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Energy: 1.3886429879531277
Energy: 1.2261914469981792
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Energy: 1.3886429879525226
Energy: 1.2261914469963633
Energy: 1.503793380043287
Energy: 1.2962422124691277
Energy: 1.5037933800438925
Energy: 1.2962422124685224
Energy: 1.5037933800438925
Energy: 1.2962422124679172
Energy: 1.456943561794326
Energy: 1.409813070788876
Energy: 1.456943561794326
Energy: 1.409813070788876
Energy: 1.456943561794326
Energy: 1.409813070788876
Energy: 1.388615621288412
Energy: 1.4244616512102128
Energy: 1.388615621288412
Energy: 1.4244616512096078
Energy: 1.388615621288412
Energy: 1.4244616512096078
Energy: 1.29649812672599
Energy: 1.4214295228568763
Energy: 1.29649812672599
Energy: 1.4214295228574818
Energy: 1.29649812672599
Energy: 1.4214295228568763
Energy: 1.4636484551519708
Energy: 1.3522425441470958
Energy: 1.4636484551513655
Energy: 1.3522425441464903
Energy: 1.4636484551519708
Energy: 1.3522425441470958
Energy: 1.2032415283819655
Energy: 1.4522755155696994
Energy: 1.2032415283813604
Energy: 1.4522755155696994
Energy: 1.2032415283819655
Energy: 1.4522755155703047
Energy: 1.3797337064566375
Energy: 1.486569533517306
Energy: 1.3797337064566375
Energy: 1.486569533517306
Energy: 1.379733706457243
Energy: 1.486569533517306
Energy: 1.2692613354669615
Energy: 1.2721377192269714
Energy: 1.2692613354663562
Energy: 1.2721377192269714
Energy: 1.2692613354669615
Energy: 1.2721377192269714
Energy: 1.544605878475787
Energy: 1.3688250633316397
Energy: 1.5446058784763925
Energy: 1.3688250633316397
Energy: 1.544605878475787
Energy: 1.3688250633316397
Energy: 1.325754561034651
Energy: 1.4305335417288902
Energy: 1.3257545610358616
Energy: 1.4305335417288902
Energy: 1.3257545610358616
Energy: 1.4305335417288902
Energy: 1.4352442574196322
Energy: 1.3204748866900236
Energy: 1.4352442574202378
Energy: 1.3204748866906288
Energy: 1.4352442574202378
Energy: 1.3204748866900236
Energy: 1.2690121331226618
Energy: 1.3729471028465954
Energy: 1.2690121331226618
Energy: 1.3729471028465954
Energy: 1.2690121331226618
Energy: 1.3729471028465954
Energy: 1.357720456209932
Energy: 1.3897756713508294
Energy: 1.357720456209932
Energy: 1.3897756713508294
Energy: 1.357720456209327
Energy: 1.3897756713508294
Energy: 1.400120275537493
Energy: 1.3127313537599992
Energy: 1.4001202755380984
Energy: 1.3127313537606045
Energy: 1.400120275537493
Energy: 1.3127313537606045

minimum gb energy = 1.202694239480824 eV
minimum distance =  2.32048800312688 Angstroms
sigma value = 57


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

Energy: 1.462417938523054
Energy: 1.2920601903547857
Energy: 1.3789019891089715
Energy: 1.292060190353218
Energy: 1.462417938523054
Energy: 1.2920601903540019
Energy: 1.4067352219555556
Energy: 1.2359980407067648
Energy: 1.4067352219555556
Energy: 1.2359980407075484
Energy: 1.4067352219555556
Energy: 1.2359980407075484
Energy: 1.4939325247727662
Energy: 1.4566678376341025
Energy: 1.4351720417165814
Energy: 1.4566678376317512
Energy: 1.4939325247727662
Energy: 1.4566678376325353
Energy: 1.6808069038790907
Energy: 1.4083233129509651
Energy: 1.6808069038790907
Energy: 1.408323312952533
Energy: 1.6808069038790907
Energy: 1.408323312952533
Energy: 1.7046143759331602
Energy: 1.3263627381830874
Energy: 1.7046143759331602
Energy: 1.3263627381846548
Energy: 1.7046143759339443
Energy: 1.3263627381854386
Energy: 1.4846890992042832
Energy: 1.3955582567895546
Energy: 1.4846890992034993
Energy: 1.3031409117502273
Energy: 1.4846890992034993
Energy: 1.3955582567895546
Energy: 1.4506741615841439
Energy: 1.4946485636197835
Energy: 1.4506741615841439
Energy: 1.4946485636189997
Energy: 1.4506741615817929
Energy: 1.4946485636189997
Energy: 1.3797563664349295
Energy: 1.2933787785934263
Energy: 1.3797563664349295
Energy: 1.2933787785934263
Energy: 1.379756366435713
Energy: 1.2933787785942101
Energy: 1.4571024184207817
Energy: 1.23872014426896
Energy: 1.4571024184199979
Energy: 1.23872014426896
Energy: 1.4571024184215657
Energy: 1.23872014426896
Energy: 1.2280818074566728
Energy: 1.3007844166779539
Energy: 1.2280825932967692
Energy: 1.3007844166779539
Energy: 1.2280818074574569
Energy: 1.3007844166787377
Energy: 1.3547461362479796
Energy: 1.4096599065972883
Energy: 1.3547461362479796
Energy: 1.409659906598856
Energy: 1.354746136249547
Energy: 1.409659906598856
Energy: 1.59024696386607
Energy: 1.5157517935487976
Energy: 1.59024696386607
Energy: 1.5157517935487976
Energy: 1.5902469638645023
Energy: 1.5157517935487976
Energy: 1.4077776728569158
Energy: 1.2386573697436734
Energy: 1.4077776728576996
Energy: 1.2386573697436734
Energy: 1.4077776728576996
Energy: 1.2386573697436734
Energy: 1.4475314559646013
Energy: 1.2446686005117016
Energy: 1.4598340845042503
Energy: 1.244668600514053
Energy: 1.4475314559646013
Energy: 1.244668600514053
Energy: 1.449650490937807
Energy: 1.40082585680916
Energy: 1.342894625544617
Energy: 1.4008258568083762
Energy: 1.449650490937807
Energy: 1.4008258568083762
Energy: 1.4278980737230555
Energy: 1.3485513219431855
Energy: 1.4278980737230555
Energy: 1.3485513219455365
Energy: 1.4278980737230555
Energy: 1.3485513219447531
Energy: 1.227628485793324
Energy: 1.3019485745505175
Energy: 1.227688072444761
Energy: 1.3019485745513013
Energy: 1.2276284857941075
Energy: 1.3019485745505175
Energy: 1.3520118212705619
Energy: 1.427279950522575
Energy: 1.3520118212705619
Energy: 1.2594725526673116
Energy: 1.3520118212689942
Energy: 1.427279950522575
Energy: 1.227587230645251
Energy: 1.302004299605784
Energy: 1.2275872306436837
Energy: 1.3020042996073515
Energy: 1.2275872306428997
Energy: 1.3020042996073515
Energy: 1.493562666059696
Energy: 1.348438595207294
Energy: 1.4935626660604797
Energy: 1.3484385952080775
Energy: 1.493562666059696
Energy: 1.348438595207294
Energy: 1.34247233347137
Energy: 1.2420085722652008
Energy: 1.3424723334705861
Energy: 1.242008572264417
Energy: 1.3424723334705861
Energy: 1.2420085722652008
Energy: 1.4596075271910116
Energy: 1.3583547095413084
Energy: 1.4596075271917957
Energy: 1.3583547095420923
Energy: 1.4596075271910116
Energy: 1.3583547095420923
Energy: 1.4919261344575012
Energy: 1.235384593825418
Energy: 1.4922458171451591
Energy: 1.235384593825418
Energy: 1.491926134458285
Energy: 1.2353845938262018
Energy: 1.5703622414972165
Energy: 1.4656233920952626
Energy: 1.5704096510585068
Energy: 1.465623392093695
Energy: 1.5703622414980003
Energy: 1.465623392093695

minimum gb energy = 1.2275872306428997 eV
minimum distance =  2.27138838672906 Angstroms
sigma value = 17


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

Energy: 1.6471131038251268
Energy: 1.1809196964099653
Energy: 1.6471131038251268
Energy: 1.1809196964099653
Energy: 1.6471131038251268
Energy: 1.1809196964099653
Energy: 1.320729845896253
Energy: 1.2746949853282805
Energy: 1.320729845896253
Energy: 1.2746949853271723
Energy: 1.320729845896253
Energy: 1.2746949853282805
Energy: 1.2770626199527948
Energy: 1.321247028674075
Energy: 1.2770626199527948
Energy: 1.3212470286751834
Energy: 1.2770626199527948
Energy: 1.3212470286751834
Energy: 1.3164793631839857
Energy: 1.2838432369665809
Energy: 1.3164793631839857
Energy: 1.2838432369665809
Energy: 1.3164793631828773
Energy: 1.2838432369665809
Energy: 1.2984499333474009
Energy: 1.4715567159526957
Energy: 1.2984499333474009
Energy: 1.4715567159526957
Energy: 1.2984499333462924
Energy: 1.4715567159526957
Energy: 1.2079856134424434
Energy: 1.2825328839648638
Energy: 1.2079856134424434
Energy: 1.2825328839659724
Energy: 1.2079856134424434
Energy: 1.2825328839648638
Energy: 1.2774135539180567
Energy: 1.3301903809056443
Energy: 1.2774135539169484
Energy: 1.3301903809056443
Energy: 1.2774135539180567
Energy: 1.3301903809056443
Energy: 1.3165202739932387
Energy: 1.3047002361246391
Energy: 1.3165202739943471
Energy: 1.3047002361246391
Energy: 1.3165202739932387
Energy: 1.3047002361224225
Energy: 1.2447799653396672
Energy: 1.1255156626119296
Energy: 1.2447799653396672
Energy: 1.1255156626119296
Energy: 1.2447799653396672
Energy: 1.1255156626119296
Energy: 1.1824437956396519
Energy: 1.258278858177529
Energy: 1.1824437956396519
Energy: 1.2582788581753122
Energy: 1.1824437956429772
Energy: 1.2582788581764206
Energy: 1.2018157835473684
Energy: 1.2934268209314619
Energy: 1.20181578354626
Energy: 1.2934268209314619
Energy: 1.2018157835473684
Energy: 1.2934268209314619
Energy: 1.2623357283182466
Energy: 1.2557423374800456
Energy: 1.2623357283182466
Energy: 1.255742337478937
Energy: 1.2623357283182466
Energy: 1.255742337478937
Energy: 1.069349261744098
Energy: 1.2825900820570515
Energy: 1.069349261744098
Energy: 1.28259008205816
Energy: 1.069349261744098
Energy: 1.2825900820570515
Energy: 1.2024253279406931
Energy: 1.2827732694910619
Energy: 1.2024253279418011
Energy: 1.2827732694910619
Energy: 1.2024253279406931
Energy: 1.2827732694910619
Energy: 1.2076504325465254
Energy: 1.4526779505555976
Energy: 1.2076504325465254
Energy: 1.4526779505555976
Energy: 1.2076504325476334
Energy: 1.4526779505555976
Energy: 1.2069836521708392
Energy: 1.4975824142093181
Energy: 1.206983652171948
Energy: 1.4975824142082097
Energy: 1.2069836521708392
Energy: 1.4975824142082097
Energy: 1.1996266087338896
Energy: 1.2826696420316666
Energy: 1.1996266087327812
Energy: 1.2826696420316666
Energy: 1.1996266087327812
Energy: 1.2826696420316666

minimum gb energy = 1.069349261744098 eV
minimum distance =  2.31537320003208 Angstroms
sigma value = 17


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

Energy: 1.1959302048396818
Energy: 1.0689920948158533
Energy: 1.1959302048405378
Energy: 1.0689920948162814
Energy: 1.1959302048401095
Energy: 1.0689920948158533
Energy: 1.2784418629193761
Energy: 1.1932889419643005
Energy: 1.278441862919804
Energy: 1.0867642995614264
Energy: 1.278441862919804
Energy: 1.1932889419604482
Energy: 1.1862991093370447
Energy: 1.213030185482745
Energy: 1.186299109338329
Energy: 1.213030185482745
Energy: 1.186299109337473
Energy: 1.213030185483173
Energy: 1.1138294043274788
Energy: 1.1831987084445663
Energy: 1.113829404331331
Energy: 1.1831987084445663
Energy: 1.1138294043304748
Energy: 1.1831987084437101
Energy: 1.4890972191457383
Energy: 1.1968052491201746
Energy: 1.4890972191453102
Energy: 1.1968052491206023
Energy: 1.4890972191457383
Energy: 1.1968052491201746
Energy: 1.1431797226861988
Energy: 1.120462208986365
Energy: 1.1431797226857707
Energy: 1.0834785800882696
Energy: 1.143179722686627
Energy: 1.120462208983369
Energy: 1.0806757500740132
Energy: 1.0855038682056664
Energy: 1.0806757500752975
Energy: 1.0855038682056664
Energy: 1.0806757500748694
Energy: 1.0855038682060945
Energy: 1.379208973481723
Energy: 1.347661608001405
Energy: 1.379208973481295
Energy: 1.347661608001405
Energy: 1.379208973481295
Energy: 1.347661608001405
Energy: 1.1217320732572642
Energy: 1.1347843643368176
Energy: 1.12173207325812
Energy: 1.1347843643346776
Energy: 1.1217320732572642
Energy: 1.1347843643342495
Energy: 1.0821807542215678
Energy: 0.9831982136258587
Energy: 1.0821807542215678
Energy: 0.9831982136262867
Energy: 1.0821807542215678
Energy: 0.9831982136258587
Energy: 1.0012198397748489
Energy: 1.3187921386470853
Energy: 1.001219839775277
Energy: 1.3187921386470853
Energy: 1.0012198397748489
Energy: 1.3187921386470853
Energy: 1.1809696965797263
Energy: 1.2665566244202002
Energy: 1.18096969657887
Energy: 1.2665566244210562
Energy: 1.1809696965801544
Energy: 1.2665566244202002
Energy: 1.2659828718320199
Energy: 1.2404211626078836
Energy: 1.2659828718320199
Energy: 1.2404211626074553
Energy: 1.2659828718324482
Energy: 1.2404211626074553
Energy: 1.2662200626828846
Energy: 1.1967408004864803
Energy: 1.2662200626820284
Energy: 1.1967408004864803
Energy: 1.2662200626824565
Energy: 1.1967408004864803
Energy: 1.1652833518949035
Energy: 1.165875791866111
Energy: 1.1652833518949035
Energy: 1.1658757918652547
Energy: 1.1652833518953316
Energy: 1.1658757918665386
Energy: 1.2087842135709213
Energy: 1.2529844536517212
Energy: 1.208784213571777
Energy: 1.2529844536517212
Energy: 1.2087842135713494
Energy: 1.2529844536517212
Energy: 1.100959132131439
Energy: 1.1300692530523582
Energy: 1.100959132133151
Energy: 1.1300692530523582
Energy: 1.100959132131867
Energy: 1.1300692530523582
Energy: 1.1438290062446748
Energy: 1.3716216788739797
Energy: 1.1438290062463872
Energy: 1.3716216788739797
Energy: 1.1438290062451029
Energy: 1.3716216788744076
Energy: 1.1067000393784758
Energy: 1.4911159389973303
Energy: 1.106700039380188
Energy: 1.4911159389973303
Energy: 1.1067000393784758
Energy: 1.4911159389981865
Energy: 1.1000811179707481
Energy: 0.9842294299845304
Energy: 1.1000811179698922
Energy: 0.9842294299841023
Energy: 1.1000811179707481
Energy: 0.9842294299866706
Energy: 1.106814945651322
Energy: 1.4910624165781017
Energy: 1.106814945650894
Energy: 1.4910624165785298
Energy: 1.10681494565175
Energy: 1.4910624165785298
Energy: 1.144003521843024
Energy: 1.3716384446543393
Energy: 1.144003521842596
Energy: 1.3716384446543393
Energy: 1.14400352184174
Energy: 1.3716384446543393
Energy: 1.1009655890425003
Energy: 1.130055657281927
Energy: 1.1009655890416443
Energy: 1.130055657281927
Energy: 1.1009655890412164
Energy: 1.130055657281927
Energy: 1.208774235648599
Energy: 1.2062795090901859
Energy: 1.208774235648171
Energy: 1.2062795090889016
Energy: 1.208774235648599
Energy: 1.2062795090897578
Energy: 1.1652536270325553
Energy: 1.1737349140623572
Energy: 1.1652536270338392
Energy: 1.1737349140636413
Energy: 1.1652536270334113
Energy: 1.1737349140640696
Energy: 1.2662384406003564
Energy: 1.2020374797953237
Energy: 1.2662384406007843
Energy: 1.2020374797953237
Energy: 1.2662384406012124
Energy: 1.2020374797953237
Energy: 1.2674180979425722
Energy: 1.24025531511089
Energy: 1.2674180979430003
Energy: 1.24025531511089
Energy: 1.2674180979421443
Energy: 1.24025531511089
Energy: 1.1903180542360274
Energy: 1.266681709032349
Energy: 1.1903180542360274
Energy: 1.266681709032777
Energy: 1.1903180542364555
Energy: 1.2666817090306368
Energy: 1.0012261929153814
Energy: 1.3189578726345748
Energy: 1.0012261929200899
Energy: 1.3189578726350029
Energy: 1.0012261929188058
Energy: 1.3189578726345748
Energy: 1.0817895038643377
Energy: 0.9833092763258062
Energy: 1.0817895038617693
Energy: 0.9833092763258062
Energy: 1.0817895038626253
Energy: 0.9833092763262341
Energy: 1.1222438449067054
Energy: 1.1354426794526364
Energy: 1.122243844904565
Energy: 1.1354426794552046
Energy: 1.1222438449054213
Energy: 1.1354426794552046
Energy: 1.379312503336842
Energy: 1.347617808929297
Energy: 1.379312503336414
Energy: 1.347617808929297
Energy: 1.379312503335986
Energy: 1.347617808928869
Energy: 1.0804264733313105
Energy: 1.0852915972429507
Energy: 1.0804264733338789
Energy: 1.085291597247231
Energy: 1.0804264733330229
Energy: 1.0852915972450907
Energy: 1.1432060754928142
Energy: 1.0478188835628444
Energy: 1.1432060754936704
Energy: 1.0478188835624165
Energy: 1.1432060754928142
Energy: 1.0478188835628444
Energy: 1.4893105465778897
Energy: 1.1968309164544018
Energy: 1.4893105465774619
Energy: 1.1968309164548296
Energy: 1.4893105465774619
Energy: 1.1968309164548296
Energy: 1.1140175225532825
Energy: 1.1489591052512258
Energy: 1.1140175225537108
Energy: 1.148959105254611
Energy: 1.1140175225511424
Energy: 1.148959105252899
Energy: 1.1864395519576054
Energy: 1.2131252991055637
Energy: 1.1864395519584612
Energy: 1.2131252991051353
Energy: 1.1864395519584612
Energy: 1.2131252991034236
Energy: 1.2786476703424208
Energy: 1.047802468031645
Energy: 1.2786476703424208
Energy: 1.0478024680312166
Energy: 1.2786476703424208
Energy: 1.047802468031645
Energy: 1.1959302048392537
Energy: 1.0689920948149974
Energy: 1.1959302048392537
Energy: 1.0689920948145692
Energy: 1.1959302048396818
Energy: 1.0689920948145692
Energy: 1.278441862919804
Energy: 1.2501999223544813
Energy: 1.278441862919804
Energy: 1.2501999223540534
Energy: 1.2784418629193761
Energy: 1.2501999223544813
Energy: 1.1862991093387572
Energy: 1.2130301854823171
Energy: 1.1862991093396131
Energy: 1.213030185482745
Energy: 1.186299109339185
Energy: 1.213030185482745
Energy: 1.1138294043266226
Energy: 1.1299339077751822
Energy: 1.1138294043261947
Energy: 1.1299339077751822
Energy: 1.1138294043257666
Energy: 1.1299339077751822
Energy: 1.4890972191440262
Energy: 1.1968052491188903
Energy: 1.489097219143598
Energy: 1.1968052491188903
Energy: 1.4890972191440262
Energy: 1.1968052491184622

minimum gb energy = 0.9831982136258587 eV
minimum distance =  2.27573863965495 Angstroms
sigma value = 57


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

Energy: 1.0984392555526785
Energy: 0.9885238301053706
Energy: 1.0984392555519813
Energy: 0.9885238301046737
Energy: 1.0984392555519813
Energy: 0.9885238301046737
Energy: 1.1345665464616217
Energy: 1.131049346975732
Energy: 1.1345665464616217
Energy: 1.131049346975732
Energy: 1.1345665464616217
Energy: 1.1310493469764287
Energy: 1.1443349007665184
Energy: 1.1309499283419087
Energy: 1.1443349007672152
Energy: 1.1309499283419087
Energy: 1.1443349007672152
Energy: 1.1309499283426057
Energy: 1.1425802728615237
Energy: 1.0743107647049763
Energy: 1.1425802728622207
Energy: 1.074310764707067
Energy: 1.1425802728636145
Energy: 1.0743107647049763
Energy: 1.3295921808398936
Energy: 1.1011806964348745
Energy: 1.3295921808398936
Energy: 1.1011806964362683
Energy: 1.3295921808398936
Energy: 1.1011806964348745
Energy: 1.0718401144550436
Energy: 0.9745478987149034
Energy: 1.0718401144543466
Energy: 0.9745478987149034
Energy: 1.0718401144557403
Energy: 0.9745478987149034
Energy: 1.2720748688921864
Energy: 1.0437633960007968
Energy: 1.2720748688914896
Energy: 1.0437633960014936
Energy: 1.2720748688907926
Energy: 1.0437633960021906
Energy: 1.2572463026256013
Energy: 1.2609391725438686
Energy: 1.2572463026242073
Energy: 1.2609391725431716
Energy: 1.2572463026249043
Energy: 1.2609391725431716
Energy: 0.9912091511724594
Energy: 0.9763580993362655
Energy: 0.9912091511710656
Energy: 0.9763580993362655
Energy: 0.9912091511731566
Energy: 0.9763580993369624
Energy: 1.122523083589809
Energy: 1.00698151191154
Energy: 1.122523083589809
Energy: 1.0069815119122372
Energy: 1.122523083589809
Energy: 1.00698151191154
Energy: 1.275067294379457
Energy: 1.272981885672615
Energy: 1.2750672943801538
Energy: 1.2729818856712212
Energy: 1.275067294379457
Energy: 1.2729818856712212
Energy: 1.0295290796786762
Energy: 1.2671404147227843
Energy: 1.0295290796786762
Energy: 1.2671404147227843
Energy: 1.0295290796786762
Energy: 1.2671404147227843
Energy: 1.1223898694903298
Energy: 1.1377706694973617
Energy: 1.1223898694903298
Energy: 1.1377706694966647
Energy: 1.1223898694903298
Energy: 1.1377706694966647
Energy: 1.267618965701907
Energy: 1.149050822304734
Energy: 1.267618965701907
Energy: 1.1490508223117035
Energy: 1.2676189657005132
Energy: 1.149050822306825
Energy: 1.100201032606384
Energy: 1.1825349121309454
Energy: 1.1002010326049902
Energy: 1.1825349121330364
Energy: 1.100201032606384
Energy: 1.1825349121323392
Energy: 1.157150268279673
Energy: 1.1501568258202537
Energy: 1.1571502682803698
Energy: 1.1501568258202537
Energy: 1.1571502682803698
Energy: 1.1501568258202537
Energy: 1.174738279308392
Energy: 1.128205952177952
Energy: 1.174738279309089
Energy: 1.128205952177255
Energy: 1.174738279308392
Energy: 1.128205952177952
Energy: 1.1892307593481524
Energy: 1.1853742888612586
Energy: 1.1892307593488496
Energy: 1.1853742888619554
Energy: 1.1892307593481524
Energy: 1.1853742888612586
Energy: 1.1279088341685126
Energy: 1.1765164888883837
Energy: 1.1279088341678156
Energy: 1.1765164888883837
Energy: 1.1279088341678156
Energy: 1.176516488889081
Energy: 1.1297218280534886
Energy: 1.0756139354819927
Energy: 1.1297218280527916
Energy: 1.0756139354819927
Energy: 1.1297218280541856
Energy: 1.0756139354819927
Energy: 1.0797681567878052
Energy: 1.267408456346832
Energy: 1.0797681567885022
Energy: 1.267408456346832
Energy: 1.079768156790593
Energy: 1.267408456346832
Energy: 0.9284604822529864
Energy: 1.3647169575532385
Energy: 0.9284604822529864
Energy: 1.3647169575525417
Energy: 0.9284604822515925
Energy: 1.3647169575525417
Energy: 1.0173607430090201
Energy: 1.0288205206602707
Energy: 1.017360743009717
Energy: 1.0288205206609675
Energy: 1.0173607430090201
Energy: 1.0288205206609675
Energy: 1.017004482417679
Energy: 1.3842361819267146
Energy: 1.017004482416982
Energy: 1.3842361819267146
Energy: 1.017004482416982
Energy: 1.3842361819267146
Energy: 1.2118706193136575
Energy: 1.2744976025569392
Energy: 1.2118706193122635
Energy: 1.2744976025562422
Energy: 1.2118706193129605
Energy: 1.2744976025569392
Energy: 0.9905902262052166
Energy: 1.0281216677381542
Energy: 0.9905902262045198
Energy: 1.0281216677381542
Energy: 0.9905902262045198
Energy: 1.0281216677374572
Energy: 0.9281208208309265
Energy: 1.1764270330453885
Energy: 0.9281208208302294
Energy: 1.1764270330446915
Energy: 0.9281208208309265
Energy: 1.1764270330474793

minimum gb energy = 0.9281208208302294 eV
minimum distance =  2.28414690604001 Angstroms
sigma value = 43


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

Energy: 1.2068141818086766
Energy: 0.8942641788995312
Energy: 1.2068141818086766
Energy: 0.894264178900039
Energy: 1.2068141818081686
Energy: 0.894264178900039
Energy: 0.9806727866044039
Energy: 1.026699003066834
Energy: 0.9806727866028805
Energy: 1.026699003066834
Energy: 0.9806727866033885
Energy: 1.026699003066326
Energy: 0.9672183584287642
Energy: 1.0267402144554274
Energy: 0.9672183584282563
Energy: 1.0267402144549198
Energy: 0.9672183584282563
Energy: 1.0267402144554274
Energy: 1.1486542412339067
Energy: 0.9415281572868649
Energy: 1.1486542412339067
Energy: 0.9415281572873727
Energy: 1.1486542412339067
Energy: 0.9415281572873727
Energy: 1.1234327416940315
Energy: 0.9819108341422378
Energy: 1.123432741693524
Energy: 0.9819108341422378
Energy: 1.1234327416940315
Energy: 0.9819108341422378
Energy: 0.9304725891349823
Energy: 0.9792780047566414
Energy: 0.9304725891354901
Energy: 0.9792780047561337
Energy: 0.9304725891354901
Energy: 0.9792780047566414
Energy: 1.1111555547397978
Energy: 1.021914417044053
Energy: 1.1111555547397978
Energy: 1.021914417044053
Energy: 1.1111555547403056
Energy: 1.021914417044053
Energy: 1.1686541141215308
Energy: 1.075503624439989
Energy: 1.168654114121023
Energy: 1.075503624439989
Energy: 1.168654114121023
Energy: 1.075503624439989
Energy: 0.880605572682919
Energy: 0.9685257242864471
Energy: 0.8806055726824112
Energy: 0.9685257242864471
Energy: 0.8806055726824112
Energy: 0.9685257242864471
Energy: 0.9864108811574426
Energy: 0.867356521072347
Energy: 0.9864108811579503
Energy: 0.8673565210718391
Energy: 0.9864108811574426
Energy: 0.8673565210738704
Energy: 1.1007930875406429
Energy: 1.0670588927451474
Energy: 1.1007930875406429
Energy: 1.0670588927451474
Energy: 1.1007930875406429
Energy: 1.0670588927451474
Energy: 0.8426818606334049
Energy: 0.9670370997835013
Energy: 0.8426818606323895
Energy: 0.9670370997835013
Energy: 0.8426818606323895
Energy: 0.9670370997835013
Energy: 0.9859955134531704
Energy: 0.8317821957184293
Energy: 0.9859955134526626
Energy: 0.831782195719445
Energy: 0.9859955134531704
Energy: 0.8317821957189373
Energy: 1.071538397569564
Energy: 1.0689897982608505
Energy: 1.0715383975685482
Energy: 1.0689897982603427
Energy: 1.0715383975685482
Energy: 1.0689897982603427
Energy: 0.8626890992454368
Energy: 0.9669062200434425
Energy: 0.8626890992459445
Energy: 0.9669062200439504
Energy: 0.8626890992444212
Energy: 0.9669062200434425
Energy: 1.0085871288690853
Energy: 0.9202933184126352
Energy: 1.008587128870101
Energy: 0.9202933184126352
Energy: 1.008587128870101
Energy: 0.920293318413143
Energy: 1.1075138353639986
Energy: 1.1193180227419137
Energy: 1.1075138353639986
Energy: 1.1193180227419137
Energy: 1.1075138353634908
Energy: 1.1193180227424213
Energy: 0.8937569217787975
Energy: 1.0963824211397306
Energy: 0.8937569217798131
Energy: 1.0963824211392226
Energy: 0.8937569217793052
Energy: 1.0963824211392226
Energy: 0.9775530553776075
Energy: 0.9656256302294097
Energy: 0.9775530553781152
Energy: 0.9656256302294097
Energy: 0.9775530553786231
Energy: 0.9656256302299177
Energy: 1.1398702972657326
Energy: 1.1107184621076032
Energy: 1.1398702972662407
Energy: 1.1107184621070954
Energy: 1.1398702972657326
Energy: 1.1107184621070954
Energy: 0.959448540825874
Energy: 1.1590379424018282
Energy: 0.959448540825874
Energy: 1.1590379424018282
Energy: 0.9594485408263818
Energy: 1.159037942402336
Energy: 1.0377065418747484
Energy: 1.0166477798834894
Energy: 1.037706541875256
Energy: 1.0166477798834894
Energy: 1.0377065418747484
Energy: 1.0166477798834894
Energy: 1.1668622218297455
Energy: 0.9738221709095738
Energy: 1.1668622218292377
Energy: 0.9738221709095738
Energy: 1.1668622218292377
Energy: 0.9738221709095738
Energy: 1.023650059769235
Energy: 1.159522926764302
Energy: 1.023650059769235
Energy: 1.159522926764302
Energy: 1.023650059769235
Energy: 1.159522926764302
Energy: 0.9809918623506183
Energy: 1.0252802285025973
Energy: 0.9809918623511262
Energy: 1.0252802285025973
Energy: 0.9809918623496029
Energy: 1.0252802285031053
Energy: 0.9807375940909135
Energy: 0.9429924956872732
Energy: 0.9807375940909135
Energy: 0.9429924956872732
Energy: 0.9807375940914212
Energy: 0.9429924956872732
Energy: 0.9447328223804933
Energy: 1.1099257159513056
Energy: 0.9282609834697102
Energy: 1.1099257159513056
Energy: 0.9282609834702181
Energy: 1.1099257159523213
Energy: 0.9489147815909769
Energy: 0.9512277773051785
Energy: 0.9489147815899611
Energy: 0.9512277773056862
Energy: 0.9489147815904689
Energy: 0.9512277773051785
Energy: 0.8599323928094964
Energy: 0.8844157145677863
Energy: 0.859932392810512
Energy: 0.8844157145677863
Energy: 0.859932392810512
Energy: 0.8844157145677863
Energy: 0.8627198866801485
Energy: 1.0820069941533805
Energy: 0.8627198866801485
Energy: 1.0820069941538886
Energy: 0.8627198866801485
Energy: 1.0820069941538886
Energy: 0.9373919438876304
Energy: 1.1674216911106017
Energy: 0.9373919438876304
Energy: 1.1674216911106017
Energy: 0.9373919438866148
Energy: 1.1674216911106017
Energy: 0.9598324765945535
Energy: 0.8570821836001297
Energy: 0.9598324765935379
Energy: 0.8570821836001297
Energy: 0.9598324765945535
Energy: 0.8570821836006377
Energy: 0.8391902956114631
Energy: 1.198227655473387
Energy: 0.8391902956114631
Energy: 1.198227655473387
Energy: 0.8391902956124788
Energy: 1.198227655473387
Energy: 1.078619767530457
Energy: 1.0687834760862074
Energy: 1.078619767530457
Energy: 1.0687834760862074
Energy: 1.0786197675299491
Energy: 1.0687834760862074
Energy: 0.9587405894927701
Energy: 0.9517631156770775
Energy: 0.9587405894922622
Energy: 0.9517631156765698
Energy: 0.9587405894922622
Energy: 0.9517631156770775
Energy: 0.7756116084570136
Energy: 0.9562034395775612
Energy: 0.7756116084570136
Energy: 0.9562034395770533
Energy: 0.7756116084565058
Energy: 0.9562034395780689

minimum gb energy = 0.7756116084565058 eV
minimum distance =  2.28603612254074 Angstroms
sigma value = 81


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

Energy: 0.34513605692895444
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.34513605692895444
Energy: 0.4014134031705037
Energy: 0.9581536877173568
Energy: 0.08318962780194793
Energy: 0.9581536877173568
Energy: 0.08318962769564224
Energy: 0.9581536877173568
Energy: 0.08318962784299457
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.9581536877173568
Energy: 0.08318962687322545
Energy: 0.9581536877173568
Energy: 0.08318962679117459
Energy: 0.9581536877173568
Energy: 0.08318962686762818
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.34513605692895444
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.34513605692895444
Energy: 0.4014134031686804
Energy: 0.9581536877173568
Energy: 0.08318962645733145
Energy: 0.9581536877173568
Energy: 0.08318962653196171
Energy: 0.9581536877173568
Energy: 0.08318962650770688
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971765582
Energy: 0.89454370516463
Energy: 0.08219814971579006
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037
Energy: 0.08155698879130385
Energy: 0.4014134031705037

minimum gb energy = 0.08155698879130385 eV
minimum distance =  2.45873644028903 Angstroms
sigma value = 3


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

Energy: 1.0664303030274191
Energy: 0.8845350523349369
Energy: 1.0664303030274191
Energy: 0.8845350523349369
Energy: 1.0664303030274191
Energy: 0.8845350523349369
Energy: 0.886878931874237
Energy: 1.022993517185723
Energy: 0.8868789318747956
Energy: 1.022993517185723
Energy: 0.8868789318747956
Energy: 1.022993517185723
Energy: 0.9751513984638044
Energy: 0.9950244326770308
Energy: 0.9751513984626877
Energy: 0.9950244326764723
Energy: 0.9751513984632459
Energy: 0.9950244326770308
Energy: 0.9983648291659516
Energy: 0.9360873757118848
Energy: 0.9983648291665098
Energy: 0.9360873757118848
Energy: 0.9983648291659516
Energy: 0.9360873757118848
Energy: 0.7760994276563898
Energy: 1.0051498411472088
Energy: 0.7760994276563898
Energy: 1.0051498411466504
Energy: 0.7760994276563898
Energy: 1.0051498411466504
Energy: 0.9249882686625284
Energy: 0.9693831038935393
Energy: 0.92498826866197
Energy: 0.9693831038935393
Energy: 0.92498826866197
Energy: 0.9693831038935393
Energy: 0.9545311842928156
Energy: 0.9927707280145853
Energy: 0.9545311842928156
Energy: 0.9927707280145853
Energy: 0.9545311842922573
Energy: 0.9927707280151438
Energy: 0.7695802140662132
Energy: 0.9096569477213204
Energy: 0.7695802140667715
Energy: 0.9096569477218788
Energy: 0.7695802140662132
Energy: 0.9096569477229954
Energy: 0.9534455859168783
Energy: 0.966995247883836
Energy: 0.95344558591632
Energy: 0.9669952478832775
Energy: 0.9534455859168783
Energy: 0.966995247883836
Energy: 0.9709955914623453
Energy: 0.9444924455668277
Energy: 0.970995591461787
Energy: 0.9444924455668277
Energy: 0.970995591461787
Energy: 0.9444924455668277
Energy: 0.8437338119853205
Energy: 0.9064842520484209
Energy: 0.8437338119847623
Energy: 0.9064842520484209
Energy: 0.8437338119847623
Energy: 0.9064842520478625
Energy: 0.9805900798069405
Energy: 0.976243537633129
Energy: 0.9805900798074987
Energy: 0.976243537633129
Energy: 0.9805900798069405
Energy: 0.976243537633129
Energy: 0.9614234262112793
Energy: 0.7728442096956485
Energy: 0.961423426210721
Energy: 0.7728442096962068
Energy: 0.9614234262112793
Energy: 0.7728442096956485
Energy: 0.8768005965114635
Energy: 0.9560580833042926
Energy: 0.8768005965109053
Energy: 0.9560580833042926
Energy: 0.8768005965114635
Energy: 0.9560580833042926
Energy: 0.959091727641874
Energy: 0.9439089908889274
Energy: 0.9590917276413157
Energy: 0.9439089908889274
Energy: 0.959091727641874
Energy: 0.9439089908889274
Energy: 0.9750297954948561
Energy: 0.7736169222947563
Energy: 0.9750297954954145
Energy: 0.7736169222936397
Energy: 0.9750297954954145
Energy: 0.7736169222947563
Energy: 0.9736933835383522
Energy: 0.9859557396553064
Energy: 0.9736933835383522
Energy: 0.9859557396553064
Energy: 0.9736933835383522
Energy: 0.9859557396553064
Energy: 0.9870940948193758
Energy: 0.9167241987291973
Energy: 0.9870940948199342
Energy: 0.9167241987297556
Energy: 0.9870940948193758
Energy: 0.9167241987297556
Energy: 0.9870953497590771
Energy: 0.8747066417211878
Energy: 0.9870953497590771
Energy: 0.8747066417211878
Energy: 0.9870953497590771
Energy: 0.8747066417223045
Energy: 0.9035346820547373
Energy: 1.0439245539288982
Energy: 0.903534682054179
Energy: 1.04392455392834
Energy: 0.9035346820547373
Energy: 1.04392455392834
Energy: 0.9778972356371386
Energy: 0.8941861737297772
Energy: 0.9778972356388136
Energy: 0.8941861737292189
Energy: 0.9778972356371386
Energy: 0.8941861737297772
Energy: 1.0410414225545013
Energy: 0.8893506559906925
Energy: 1.0410414225545013
Energy: 0.8893506559906925
Energy: 1.0410414225545013
Energy: 0.8893506559906925
Energy: 0.9560153120793894
Energy: 1.0415374409687421
Energy: 0.9560153120799478
Energy: 1.0415374409687421
Energy: 0.9560153120793894
Energy: 1.0415374409687421
Energy: 1.0442355469458546
Energy: 0.8722678852749576
Energy: 1.0442355469464129
Energy: 0.8722678852749576
Energy: 1.0442355469458546
Energy: 0.8722678852749576
Energy: 0.9859453537946167
Energy: 0.924707938060822
Energy: 0.9859453537946167
Energy: 0.9247079380619384
Energy: 0.9859453537946167
Energy: 0.924707938060822
Energy: 0.8934611008833602
Energy: 0.9671058140533365
Energy: 0.8934611008839186
Energy: 0.9671058140538948
Energy: 0.8934611008839186
Energy: 0.9671058140538948
Energy: 1.0382812990898151
Energy: 0.8196869516857893
Energy: 1.0382812990892567
Energy: 0.8196869516857893
Energy: 1.0382812990898151
Energy: 0.8196869516857893
Energy: 0.9413127976169852
Energy: 0.9556374494073883
Energy: 0.9413127976181019
Energy: 0.9556374494073883
Energy: 0.9413127976175435
Energy: 0.9556374494073883
Energy: 0.8345652795620896
Energy: 1.0054249196861351
Energy: 0.8345652795620896
Energy: 1.0054249196861351
Energy: 0.8345652795620896
Energy: 1.0054249196866936
Energy: 1.0586267478275113
Energy: 0.8808110994056868
Energy: 1.0586267478280695
Energy: 0.8808110994056868
Energy: 1.0586267478280695
Energy: 0.8808110994062451
Energy: 0.9474711592582088
Energy: 0.9529753011551853
Energy: 0.9474711592582088
Energy: 0.9529753011551853
Energy: 0.9474711592582088
Energy: 0.9529753011551853
Energy: 0.8105720483432495
Energy: 0.949661744950114
Energy: 0.8105720483415744
Energy: 0.9496617449495558
Energy: 0.8105720483398996
Energy: 0.949661744950114
Energy: 0.9441672976584218
Energy: 0.98838964683166
Energy: 0.9441672976589802
Energy: 0.98838964683166
Energy: 0.9441672976589802
Energy: 0.9883896468322184

minimum gb energy = 0.7695802140662132 eV
minimum distance =  2.34520066064453 Angstroms
sigma value = 67


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

Energy: 1.2237783646605342
Energy: 1.107916547330111
Energy: 1.2237783646605342
Energy: 1.107916547330111
Energy: 1.2237783646597384
Energy: 1.1079165473293155
Energy: 1.0773302238446247
Energy: 1.1992332664443894
Energy: 1.0773302238454199
Energy: 1.1992332664443894
Energy: 1.0773302238454199
Energy: 1.1992332664443894
Energy: 1.1468528002504015
Energy: 1.1666947742725668
Energy: 1.1468528002496057
Energy: 1.1666947742725668
Energy: 1.1468528002496057
Energy: 1.1666947742733624
Energy: 1.1671246068936871
Energy: 1.0935975061904386
Energy: 1.1671246068928915
Energy: 1.0935975061912342
Energy: 1.1671246068928915
Energy: 1.0935975061912342
Energy: 0.9621558038571114
Energy: 1.0600617514552146
Energy: 0.9621558038571114
Energy: 1.0600617514544193
Energy: 0.9621558038563159
Energy: 1.0600617514552146
Energy: 1.1494166749584858
Energy: 1.1483471539730457
Energy: 1.1494166749576902
Energy: 1.1483471539730457
Energy: 1.1494166749576902
Energy: 1.148347153973841
Energy: 1.0811011958867287
Energy: 1.189902148216885
Energy: 1.0811011958867287
Energy: 1.1899021482176804
Energy: 1.0811011958859331
Energy: 1.1899021482176804
Energy: 1.0813573617356125
Energy: 1.052266565714915
Energy: 1.0813573617356125
Energy: 1.0522665657157106
Energy: 1.081357361734817
Energy: 1.052266565714915
Energy: 1.182375326050299
Energy: 1.1992993367575402
Energy: 1.1823753260510945
Energy: 1.1992993367559492
Energy: 1.1823753260510945
Energy: 1.1992993367551534
Energy: 1.1643517506367889
Energy: 0.9930999962671816
Energy: 1.1643517506367889
Energy: 0.9930999962663862
Energy: 1.1643517506367889
Energy: 0.9930999962663862
Energy: 1.1508492036798068
Energy: 1.1433461928765616
Energy: 1.1508492036798068
Energy: 1.1433461928765616
Energy: 1.1508492036798068
Energy: 1.1433461928765616
Energy: 1.1661834364721941
Energy: 1.1335846064405382
Energy: 1.1661834364721941
Energy: 1.1335846064405382
Energy: 1.1661834364713983
Energy: 1.1335846064405382
Energy: 1.139936158741704
Energy: 1.2214713237848458
Energy: 1.1399361587424999
Energy: 1.2214713237848458
Energy: 1.139936158741704
Energy: 1.2214713237848458
Energy: 1.1829187521531495
Energy: 1.1782438855226909
Energy: 1.1829187521523536
Energy: 1.1782438855226909
Energy: 1.1829187521531495
Energy: 1.1782438855226909
Energy: 1.1090479466470928
Energy: 1.0775959770406802
Energy: 1.1090479466478884
Energy: 1.0775959770398849
Energy: 1.1090479466462972
Energy: 1.0775959770398849
Energy: 1.1898879175934371
Energy: 1.1158439488203133
Energy: 1.1898879175934371
Energy: 1.1158439488195178
Energy: 1.1898879175926418
Energy: 1.1158439488203133
Energy: 1.0976496235878976
Energy: 1.187006132330183
Energy: 1.0976496235886932
Energy: 1.1870061323293875
Energy: 1.0976496235878976
Energy: 1.1870061323293875
Energy: 1.1210375984107281
Energy: 1.0581324020055984
Energy: 1.1210375984115237
Energy: 1.0581324020048026
Energy: 1.1210375984115237
Energy: 1.0581324020048026
Energy: 1.1517039300955625
Energy: 1.205887344917023
Energy: 1.151703930096358
Energy: 1.205887344917023
Energy: 1.151703930096358
Energy: 1.205887344917023
Energy: 1.2209869659189547
Energy: 1.1965357749842138
Energy: 1.2209869659189547
Energy: 1.1965357749834182
Energy: 1.2209869659181591
Energy: 1.1965357749842138
Energy: 1.226162466564443
Energy: 1.0786360070053533
Energy: 1.226162466564443
Energy: 1.0786360070053533
Energy: 1.2261624665652386
Energy: 1.0786360070053533
Energy: 1.1679107692030446
Energy: 1.2001359060186854
Energy: 1.1679107692030446
Energy: 1.2001359060186854
Energy: 1.1679107692030446
Energy: 1.2001359060178898
Energy: 1.022309135057795
Energy: 1.1656482705909945
Energy: 1.022309135057795
Energy: 1.1656482705909945
Energy: 1.0223091350569995
Energy: 1.1656482705909945

minimum gb energy = 0.9621558038563159 eV
minimum distance =  2.32830135957047 Angstroms
sigma value = 33


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

Energy: 1.344300351019145
Energy: 1.1810896373485478
Energy: 1.3443003510196496
Energy: 1.1810896373490525
Energy: 1.3443003510186402
Energy: 1.1810896373485478
Energy: 1.201256391969442
Energy: 1.2974721046452913
Energy: 1.2012563919699466
Energy: 1.2974721046447866
Energy: 1.201256391969442
Energy: 1.2974721046452913
Energy: 1.3136284549044295
Energy: 1.2987448781965538
Energy: 1.3136284549044295
Energy: 1.2987448781960491
Energy: 1.3136284549039248
Energy: 1.2987448781960491
Energy: 1.286074430679833
Energy: 1.1916048737028517
Energy: 1.2860744306803378
Energy: 1.1916048737028517
Energy: 1.286074430679833
Energy: 1.1916048737033567
Energy: 1.2101120024494025
Energy: 1.3131447560436873
Energy: 1.2101120024499072
Energy: 1.3131447560431824
Energy: 1.2101120024499072
Energy: 1.3131447560431824
Energy: 1.4293936576927706
Energy: 1.3136065025873973
Energy: 1.42939365769378
Energy: 1.3136065025868926
Energy: 1.4293936576932755
Energy: 1.3136065025868926
Energy: 1.199129498157161
Energy: 1.1508024490289277
Energy: 1.199129498157161
Energy: 1.1508024490294324
Energy: 1.1991294981576657
Energy: 1.150802449029937
Energy: 1.2953246858518077
Energy: 1.2796009461023885
Energy: 1.2953246858518077
Energy: 1.2796009461023885
Energy: 1.295324685851303
Energy: 1.2796009461023885
Energy: 1.276299015047643
Energy: 1.2863118091368597
Energy: 1.2762990150486524
Energy: 1.2863118091368597
Energy: 1.2762990150481477
Energy: 1.2863118091368597
Energy: 1.4061448689814493
Energy: 1.3073407506436072
Energy: 1.4061448689809448
Energy: 1.217400713486062
Energy: 1.4061448689814493
Energy: 1.2174007134875762
Energy: 1.3101784695812517
Energy: 1.294512531276202
Energy: 1.3101784695812517
Energy: 1.294512531276202
Energy: 1.3101784695812517
Energy: 1.294512531276202
Energy: 1.2041102069084832
Energy: 1.2038036372393854
Energy: 1.2041102069089877
Energy: 1.2038036372393854
Energy: 1.2041102069084832
Energy: 1.2038036372393854
Energy: 1.327790705870528
Energy: 1.2441007886153548
Energy: 1.327790705870528
Energy: 1.2441007886153548
Energy: 1.3277907058700233
Energy: 1.24410078861485
Energy: 1.2614965392390776
Energy: 1.275994574671035
Energy: 1.2614965392395823
Energy: 1.275994574671035
Energy: 1.2614965392390776
Energy: 1.275994574671035
Energy: 1.240365619410785
Energy: 1.2313996997605148
Energy: 1.2403656194097756
Energy: 1.2313996997610195
Energy: 1.2403656194102803
Energy: 1.2313996997610195
Energy: 1.2858634488376792
Energy: 1.3163515874213332
Energy: 1.285863448838184
Energy: 1.3163515874213332
Energy: 1.285863448838184
Energy: 1.3163515874208285
Energy: 1.1923212313315124
Energy: 1.3247533531165026
Energy: 1.192321231330503
Energy: 1.3247533531165026
Energy: 1.1923212313315124
Energy: 1.3247533531165026
Energy: 1.3171004597343015
Energy: 1.3647789570885596
Energy: 1.3171004597343015
Energy: 1.3647789570885596
Energy: 1.3171004597343015
Energy: 1.3647789570885596
Energy: 1.1954681089776276
Energy: 1.3667550623492317
Energy: 1.1954681089771229
Energy: 1.3667550623492317
Energy: 1.1954681089776276
Energy: 1.366755062348727
Energy: 1.3392775516000666
Energy: 1.3008681664590234
Energy: 1.3392775516005713
Energy: 1.3008681664590234
Energy: 1.3392775516000666
Energy: 1.3008681664590234
Energy: 1.358656114747369
Energy: 1.3154459507145084
Energy: 1.3586561147468643
Energy: 1.3154459507145084
Energy: 1.358656114747369
Energy: 1.3154459507145084
Energy: 1.23863656272567
Energy: 1.1824116407948877
Energy: 1.2386365627251652
Energy: 1.182411640794383
Energy: 1.2386365627261746
Energy: 1.1824116407938785
Energy: 1.2047693583852717
Energy: 1.2946454560939475
Energy: 1.2047693583867398
Energy: 1.2946454560944523
Energy: 1.2047693583852717
Energy: 1.2946454560939475
Energy: 1.36865928525159
Energy: 1.2079540532022648
Energy: 1.368659285252095
Energy: 1.2079540532032742
Energy: 1.368659285252095
Energy: 1.2079540532027695
Energy: 1.216186063381189
Energy: 1.2117997692215983
Energy: 1.216186063381189
Energy: 1.211799769222103
Energy: 1.2161860633801798
Energy: 1.2117997692215983
Energy: 1.2435376969667395
Energy: 1.2899416188507584
Energy: 1.2435376969662346
Energy: 1.2899416188512631
Energy: 1.2435376969667395
Energy: 1.2899416188507584
Energy: 1.1993829699629863
Energy: 1.182079733013885
Energy: 1.1993829699629863
Energy: 1.182079733013885
Energy: 1.1993829699609677
Energy: 1.182079733013885
Energy: 1.3595343009273222
Energy: 1.3397042170217064
Energy: 1.3595343009268175
Energy: 1.339704217022211
Energy: 1.359534300926313
Energy: 1.3397042170217064
Energy: 1.336492748762664
Energy: 1.3112788926993373
Energy: 1.336492748762664
Energy: 1.3112788926993373
Energy: 1.336492748762664
Energy: 1.3112788926993373
Energy: 1.195144413451625
Energy: 1.14572231349578
Energy: 1.195144413450111
Energy: 1.14572231349578
Energy: 1.195144413451625
Energy: 1.14572231349578
Energy: 1.3646847658689705
Energy: 1.3662419800394088
Energy: 1.3646847658694752
Energy: 1.3662419800394088
Energy: 1.3646847658694752
Energy: 1.3662419800394088
Energy: 1.2135905001346954
Energy: 1.3003527326187496
Energy: 1.2135905001357048
Energy: 1.3003527326187496
Energy: 1.2135905001346954
Energy: 1.3003527326187496
Energy: 1.2843468926147816
Energy: 1.3144651055652696
Energy: 1.284346892614277
Energy: 1.3144651055652696
Energy: 1.2843468926152863
Energy: 1.3144651055652696
Energy: 1.248580224488147
Energy: 1.2970904080009464
Energy: 1.248580224487642
Energy: 1.2970904080009464
Energy: 1.2485802244871373
Energy: 1.2970904080009464
Energy: 1.2072513674774303
Energy: 1.2990438880143615
Energy: 1.2072513674769256
Energy: 1.2990438880143615
Energy: 1.2072513674774303
Energy: 1.2990438880148663
Energy: 1.350010223561192
Energy: 1.244836958327274
Energy: 1.350010223561192
Energy: 1.244836958327274
Energy: 1.3500102235606872
Energy: 1.244836958327274
Energy: 1.2018202171891041
Energy: 1.2305890963443165
Energy: 1.2018202171896089
Energy: 1.2305890963448214
Energy: 1.2018202171896089
Energy: 1.2305890963443165

minimum gb energy = 1.14572231349578 eV
minimum distance =  2.31902803439391 Angstroms
sigma value = 41


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

Energy: 1.4888588703782766
Energy: 1.3519661656330277
Energy: 1.4888588703782766
Energy: 1.3519661656330277
Energy: 1.4888588703782766
Energy: 1.3519661656330277
Energy: 1.3531782936347685
Energy: 1.4425633812676186
Energy: 1.3531782936347685
Energy: 1.4425633812676186
Energy: 1.3531782936361465
Energy: 1.4425633812676186
Energy: 1.6248673435999639
Energy: 1.4441399699438249
Energy: 1.5653221644393356
Energy: 1.4441399699438249
Energy: 1.5653221644393356
Energy: 1.4441399699438249
Energy: 1.510558913888261
Energy: 1.5673633246728091
Energy: 1.5105589138896391
Energy: 1.5673633246728091
Energy: 1.510558913888261
Energy: 1.5673633246728091
Energy: 1.4696429534275428
Energy: 1.4495059101019927
Energy: 1.4696429534275428
Energy: 1.4495059101019927
Energy: 1.4696429534275428
Energy: 1.4495059101019927
Energy: 1.5758427178685046
Energy: 1.478349894715531
Energy: 1.5758427178685046
Energy: 1.478349894715531
Energy: 1.5758427178685046
Energy: 1.478349894715531
Energy: 1.50669691198525
Energy: 1.36722080473174
Energy: 1.50669691198525
Energy: 1.36722080473174
Energy: 1.50669691198525
Energy: 1.36722080473174
Energy: 1.4388510417178353
Energy: 1.4692150293329544
Energy: 1.4388510417192135
Energy: 1.4692150293329544
Energy: 1.4388510417192135
Energy: 1.4692150293329544
Energy: 1.3528035046991753
Energy: 1.3629240767237136
Energy: 1.3528035046991753
Energy: 1.3629240767223356
Energy: 1.3528035046991753
Energy: 1.3629240767223356
Energy: 1.5017493824980295
Energy: 1.3885284384168355
Energy: 1.5017493824980295
Energy: 1.3885284384168355
Energy: 1.5017493824980295
Energy: 1.3885284384168355
Energy: 1.3540082833364433
Energy: 1.4436720382853843
Energy: 1.3540082833378215
Energy: 1.4436720382840065
Energy: 1.3540082833364433
Energy: 1.4436720382840065
Energy: 1.434018082990575
Energy: 1.440758818119191
Energy: 1.434018082990575
Energy: 1.440758818119191
Energy: 1.434018082990575
Energy: 1.440758818119191
Energy: 1.4789913928625662
Energy: 1.4674773660964848
Energy: 1.4789913928625662
Energy: 1.4674773660964848
Energy: 1.4789913928625662
Energy: 1.4674773660964848
Energy: 1.4715939078198719
Energy: 1.464448295990772
Energy: 1.4715939078198719
Energy: 1.464448295990772
Energy: 1.4715939078198719
Energy: 1.464448295990772

minimum gb energy = 1.3519661656330277 eV
minimum distance =  2.27512899915504 Angstroms
sigma value = 11


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

Energy: 1.653732911332929
Energy: 1.6379030730149844
Energy: 1.653732911332929
Energy: 1.6379030730149844
Energy: 1.653732911332929
Energy: 1.6379030730149844
Energy: 1.4440639426251787
Energy: 1.5993489403865213
Energy: 1.444063942625784
Energy: 1.5993489403865213
Energy: 1.444063942625784
Energy: 1.5993489403865213
Energy: 1.5805555835564438
Energy: 1.5526705450933829
Energy: 1.620801547173275
Energy: 1.5526705450933829
Energy: 1.5805555835558385
Energy: 1.5526705450933829
Energy: 1.5590209085052704
Energy: 1.448532849149175
Energy: 1.5590209085046653
Energy: 1.4485328491485696
Energy: 1.5590209085046653
Energy: 1.4485328491485696
Energy: 1.6049062002454428
Energy: 1.5356277094188795
Energy: 1.6049062002460484
Energy: 1.5356277094188795
Energy: 1.6049062002454428
Energy: 1.5356277094194848
Energy: 1.5230020794462358
Energy: 1.5748978104811528
Energy: 1.5230020794462358
Energy: 1.5748978104817581
Energy: 1.5230020794462358
Energy: 1.5748978104817581
Energy: 1.5722501329918661
Energy: 1.5373579157715969
Energy: 1.5722501329918661
Energy: 1.5373579157715969
Energy: 1.5722501329918661
Energy: 1.5373579157709916
Energy: 1.530092559987431
Energy: 1.570936386601686
Energy: 1.530092559986826
Energy: 1.570936386601686
Energy: 1.530092559987431
Energy: 1.570936386601686
Energy: 1.5514374272781912
Energy: 1.5457016781176076
Energy: 1.5514374272775857
Energy: 1.5457016781176076
Energy: 1.5514374272781912
Energy: 1.5457016781176076
Energy: 1.535832524097141
Energy: 1.5397699348257445
Energy: 1.535832524097141
Energy: 1.5397699348251392
Energy: 1.535832524097141
Energy: 1.5397699348257445
Energy: 1.5242680369934618
Energy: 1.5867213663359934
Energy: 1.5242680369934618
Energy: 1.5867213663359934
Energy: 1.5242680369934618
Energy: 1.5867213663359934
Energy: 1.5657819611199038
Energy: 1.5909200217142225
Energy: 1.5657819611192982
Energy: 1.5909200217142225
Energy: 1.5657819611199038
Energy: 1.5909200217142225
Energy: 1.5606809998058357
Energy: 1.4914650090045538
Energy: 1.5606809998058357
Energy: 1.4914650090045538
Energy: 1.5606809998052305
Energy: 1.4914650090045538
Energy: 1.5347184749369147
Energy: 1.5774951148428504
Energy: 1.5347184749369147
Energy: 1.5774951148422451
Energy: 1.5347184749369147
Energy: 1.5774951148428504
Energy: 1.4937677356649226
Energy: 1.5124509186850652
Energy: 1.4937677356643173
Energy: 1.5124509186856705
Energy: 1.4937677356655281
Energy: 1.5124509186856705
Energy: 1.57747599585937
Energy: 1.53820672696114
Energy: 1.57747599585937
Energy: 1.5382067269617452
Energy: 1.57747599585937
Energy: 1.5382067269617452
Energy: 1.4673905397780587
Energy: 1.5543616025007532
Energy: 1.4673905397786637
Energy: 1.5543616025013585
Energy: 1.4673905397786637
Energy: 1.5543616025013585
Energy: 1.575716370958253
Energy: 1.5872102560696693
Energy: 1.575716370958253
Energy: 1.5872102560696693
Energy: 1.5757163709588584
Energy: 1.5872102560696693
Energy: 1.5231709869051693
Energy: 1.4536124314746273
Energy: 1.5231709869051693
Energy: 1.453612431474022
Energy: 1.5231709869051693
Energy: 1.4536124314746273
Energy: 1.5291119944301292
Energy: 1.559725775161026
Energy: 1.5291119944301292
Energy: 1.559725775161026
Energy: 1.5291119944301292
Energy: 1.559725775161026
Energy: 1.4516325407298132
Energy: 1.4938609375482035
Energy: 1.4516325407304185
Energy: 1.4938609375482035
Energy: 1.4516325407298132
Energy: 1.4938609375482035
Energy: 1.6063918560038453
Energy: 1.646018423417159
Energy: 1.60639185600324
Energy: 1.646018423417159
Energy: 1.6063918560038453
Energy: 1.646018423417159
Energy: 1.508614228647293
Energy: 1.5525168753589207
Energy: 1.5086142286466877
Energy: 1.5525168753583152
Energy: 1.508614228647293
Energy: 1.5525168753583152
Energy: 1.5855511610901365
Energy: 1.5984120222420066
Energy: 1.5855511610907418
Energy: 1.5984120222420066
Energy: 1.5855511610901365
Energy: 1.5984120222420066
Energy: 1.5351026741150648
Energy: 1.5446753842431014
Energy: 1.5351026741156701
Energy: 1.5446753842431014
Energy: 1.5351026741156701
Energy: 1.5446753842431014
Energy: 1.4699178468056466
Energy: 1.5729816692489724
Energy: 1.4699178468056466
Energy: 1.5729816692495777
Energy: 1.4699178468056466
Energy: 1.5729816692489724
Energy: 1.5229908926662528
Energy: 1.5936856803867803
Energy: 1.5229908926662528
Energy: 1.593685680386175
Energy: 1.5229908926662528
Energy: 1.5936856803867803
Energy: 1.560878864313147
Energy: 1.4883391017473615
Energy: 1.560878864313147
Energy: 1.4883391017473615
Energy: 1.5608788643125417
Energy: 1.4883391017473615
Energy: 1.5334603916393277
Energy: 1.6033510470297683
Energy: 1.5334603916393277
Energy: 1.6033510470297683
Energy: 1.5334603916393277
Energy: 1.6033510470297683
Energy: 1.4952728472596957
Energy: 1.4319996485631448
Energy: 1.4952728472596957
Energy: 1.4319996485631448
Energy: 1.4952728472596957
Energy: 1.4319996485631448
Energy: 1.5336795819798286
Energy: 1.6059083385249968
Energy: 1.5336795819798286
Energy: 1.6059083385243917
Energy: 1.533679581979223
Energy: 1.6059083385249968

minimum gb energy = 1.4319996485631448 eV
minimum distance =  2.25723930944479 Angstroms
sigma value = 57


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

Energy: 1.4550592226680577
Energy: 1.3681725531169517
Energy: 1.4550592226691348
Energy: 1.3681725531169517
Energy: 1.4550592226680577
Energy: 1.3681725531169517
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.5653104567137743
Energy: 1.6069080218348515
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.6160033109098026
Energy: 1.498852174415037
Energy: 1.6160033109098026
Energy: 1.498852174415037
Energy: 1.6160033109098026
Energy: 1.4988521744139596
Energy: 1.45184653292593
Energy: 1.4515214004780315
Energy: 1.45184653292593
Energy: 1.4515214004780315
Energy: 1.45184653292593
Energy: 1.4515214004780315
Energy: 1.6161659712891674
Energy: 1.498815485527942
Energy: 1.6161659712891674
Energy: 1.4988154855269138
Energy: 1.6161659712891674
Energy: 1.4988154855269138
Energy: 1.5658198446924891
Energy: 1.5416655983136731
Energy: 1.5658198446924891
Energy: 1.408551828595097
Energy: 1.5658198446924891
Energy: 1.408551828595097
Energy: 1.4550592226691348
Energy: 1.3681725531158746
Energy: 1.4550592226691348
Energy: 1.3681725531158746
Energy: 1.4550592226691348
Energy: 1.3681725531158746
Energy: 1.5653104567116198
Energy: 1.6069080218348515
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.6160033109108798
Energy: 1.498852174415037
Energy: 1.6160033109108798
Energy: 1.498852174415037
Energy: 1.6160033109108798
Energy: 1.498852174415037
Energy: 1.4518465329248529
Energy: 1.6306402456063858
Energy: 1.45184653292593
Energy: 1.6306402456063858
Energy: 1.4518465329248529
Energy: 1.6306402456074625
Energy: 1.6161659712891674
Energy: 1.4988154855269138
Energy: 1.6161659712891674
Energy: 1.4988154855269138
Energy: 1.6161659712891674
Energy: 1.4988154855269138
Energy: 1.5658198446924891
Energy: 1.408551828595097
Energy: 1.5658198446924891
Energy: 1.408551828595097
Energy: 1.5658198446924891
Energy: 1.4085518285940686
Energy: 1.4550592226680577
Energy: 1.3681725531158746
Energy: 1.4550592226691348
Energy: 1.3681725531169517
Energy: 1.4550592226680577
Energy: 1.3681725531158746
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.565310456712697
Energy: 1.6069080218348515
Energy: 1.565310456712697
Energy: 1.6069080218359288
Energy: 1.6160033109098026
Energy: 1.4988521744139596
Energy: 1.6160033109098026
Energy: 1.498852174415037
Energy: 1.6160033109098026
Energy: 1.498852174415037
Energy: 1.4518465329248529
Energy: 1.3801270232735783
Energy: 1.4518465329248529
Energy: 1.3801270232735783
Energy: 1.4518465329248529
Energy: 1.3801270232735783
Energy: 1.6161659712891674
Energy: 1.498815485527942
Energy: 1.6161659712891674
Energy: 1.498815485527942
Energy: 1.6161659712891674
Energy: 1.4988154855269138

minimum gb energy = 1.3681725531158746 eV
minimum distance =  2.29877012806692 Angstroms
sigma value = 9


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

Energy: 1.5576694098343669
Energy: 1.6404916974632309
Energy: 1.5576694098343669
Energy: 1.6404916974632309
Energy: 1.5576694098352464
Energy: 1.6404916974632309
Energy: 1.5187836228020979
Energy: 1.5237037763447978
Energy: 1.5187836228012186
Energy: 1.5237037763447978
Energy: 1.5187836228012186
Energy: 1.5237037763447978
Energy: 1.578864041328157
Energy: 1.508943201269158
Energy: 1.5098143846585508
Energy: 1.508943201269158
Energy: 1.578864041328157
Energy: 1.508943201269158
Energy: 1.4785665247115514
Energy: 1.60612779008823
Energy: 1.4785665247106718
Energy: 1.6061277900873505
Energy: 1.4785665247106718
Energy: 1.60612779008823
Energy: 1.5181863645587708
Energy: 1.5293588492842687
Energy: 1.5181863645578915
Energy: 1.5293588492842687
Energy: 1.5181863645587708
Energy: 1.5293588492842687
Energy: 1.5282163222708565
Energy: 1.5151007680082378
Energy: 1.5282163222699767
Energy: 1.5151007680073583
Energy: 1.5282163222699767
Energy: 1.5151007680055992
Energy: 1.4965398630713331
Energy: 1.5370454187026439
Energy: 1.4965398630713331
Energy: 1.5370454187026439
Energy: 1.4965398630704536
Energy: 1.5370454187026439
Energy: 1.4933144590234633
Energy: 1.5510950195308186
Energy: 1.4933144590234633
Energy: 1.5510950195308186
Energy: 1.4933144590225835
Energy: 1.5510950195308186
Energy: 1.7089799022780303
Energy: 1.5659013539053053
Energy: 1.7089799022780303
Energy: 1.5659013539044655
Energy: 1.7089799022780303
Energy: 1.5659013539044655
Energy: 1.498464061092082
Energy: 1.5055795180564575
Energy: 1.498464061092082
Energy: 1.5055795180564575
Energy: 1.498464061092082
Energy: 1.5055795180564575
Energy: 1.505409332492839
Energy: 1.5186736415141922
Energy: 1.505409332492839
Energy: 1.5186736415141922
Energy: 1.505409332492839
Energy: 1.5186736415141922
Energy: 1.5842804158152397
Energy: 1.5458301757901987
Energy: 1.5842804158143604
Energy: 1.5458301757893191
Energy: 1.5842804158143604
Energy: 1.5458301757893191
Energy: 1.4783128090437547
Energy: 1.5628520303017681
Energy: 1.4783128090446342
Energy: 1.5628520303017681
Energy: 1.4783128090437547
Energy: 1.5628520303017681
Energy: 1.5370435413614898
Energy: 1.507923923745404
Energy: 1.5370435413614898
Energy: 1.507923923745404
Energy: 1.537043541362369
Energy: 1.507923923745404
Energy: 1.5286327600816467
Energy: 1.540507886652138
Energy: 1.5286327600807672
Energy: 1.540507886652138
Energy: 1.5286327600816467
Energy: 1.5405078866512585
Energy: 1.5551578960970547
Energy: 1.5173676165699381
Energy: 1.5551578960961754
Energy: 1.5173676165690586
Energy: 1.5551578960970547
Energy: 1.5173676165690586
Energy: 1.55053431957266
Energy: 1.5181692789587606
Energy: 1.5505343195717805
Energy: 1.5181692789587606
Energy: 1.5505343195717805
Energy: 1.5181692789587606
Energy: 1.721254591531835
Energy: 1.5291987466024677
Energy: 1.721254591531835
Energy: 1.5291987466016281
Energy: 1.721254591531835
Energy: 1.5291987466024677
Energy: 1.4960227959237435
Energy: 1.5093679084575973
Energy: 1.4960227959246233
Energy: 1.5093679084575973
Energy: 1.4960227959237435
Energy: 1.5093679084575973
Energy: 1.5913249855179648
Energy: 1.5553108618771623
Energy: 1.5913249855179648
Energy: 1.5553108618771623
Energy: 1.5913249855179648
Energy: 1.5553108618771623
Energy: 1.5862877055892444
Energy: 1.5434936769707712
Energy: 1.586287705590124
Energy: 1.5434936769698917
Energy: 1.5862877055892444
Energy: 1.5434936769698917

minimum gb energy = 1.4783128090437547 eV
minimum distance =  2.28592480732642 Angstroms
sigma value = 27


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

Energy: 1.6139482166245542
Energy: 1.837344897757432
Energy: 1.5698036824992967
Energy: 1.837344897757432
Energy: 1.6139482166245542
Energy: 1.837344897757432
Energy: 1.6082269900877737
Energy: 1.5411401605667534
Energy: 1.6082269900877737
Energy: 1.5411401605667534
Energy: 1.6082269900877737
Energy: 1.5411401605682362
Energy: 1.4862953668379602
Energy: 1.4985943312761307
Energy: 1.4862953668379602
Energy: 1.4985943312761307
Energy: 1.4862953668372187
Energy: 1.4985943312761307
Energy: 1.4535976727685682
Energy: 1.5975130345377906
Energy: 1.4535976727685682
Energy: 1.5975130345377906
Energy: 1.4535976727678268
Energy: 1.597513034536308
Energy: 1.4535793899331275
Energy: 1.5677909244849835
Energy: 1.4535793899331275
Energy: 1.5677909244849835
Energy: 1.4535793899323861
Energy: 1.5677909244849835
Energy: 1.5763075329661873
Energy: 1.5854518504852566
Energy: 1.5763075329661873
Energy: 1.5854518504852566
Energy: 1.5763075329661873
Energy: 1.585451850483774
Energy: 1.4781245669032428
Energy: 1.5870852696610016
Energy: 1.4781245669032428
Energy: 1.5870852696610016
Energy: 1.4781245669025014
Energy: 1.5870852696595188
Energy: 1.56701871481973
Energy: 1.485168369560302
Energy: 1.56701871481973
Energy: 1.485168369560302
Energy: 1.5670187148204717
Energy: 1.4851683695617848
Energy: 1.656139844718842
Energy: 1.4534269285847123
Energy: 1.656132524718281
Energy: 1.4534269285847123
Energy: 1.656139844718842
Energy: 1.4534269285854537
Energy: 1.5850359873274849
Energy: 1.534963351144285
Energy: 1.5851092610680524
Energy: 1.534963351144285
Energy: 1.5850359873274849
Energy: 1.534963351145768
Energy: 1.5847042807989835
Energy: 1.5664816664530605
Energy: 1.5847559885718479
Energy: 1.5664816664545433
Energy: 1.5847042807989835
Energy: 1.5664816664538017
Energy: 1.5888017171546696
Energy: 1.47933657402711
Energy: 1.588801717153928
Energy: 1.47933657402711
Energy: 1.5888017171546696
Energy: 1.4793365740278515
Energy: 1.520084156381206
Energy: 1.5994585384062185
Energy: 1.520084156381206
Energy: 1.5994585384054771
Energy: 1.520084156381206
Energy: 1.5994585384069597
Energy: 1.453641131605691
Energy: 1.5114722551283957
Energy: 1.453641131605691
Energy: 1.5114722551261717
Energy: 1.453641131605691
Energy: 1.5114722551261717
Energy: 1.6618760076867165
Energy: 1.5827461086107941
Energy: 1.6624810251687074
Energy: 1.5827461086107941
Energy: 1.6618760076867165
Energy: 1.5827461086107941
Energy: 1.5414437409775277
Energy: 1.5683763332804423
Energy: 1.5414437409775277
Energy: 1.5683763332804423
Energy: 1.541443740978269
Energy: 1.568376333279701
Energy: 1.4783373064517198
Energy: 1.4865615366396276
Energy: 1.478337306452461
Energy: 1.4865615366396276
Energy: 1.4783373064517198
Energy: 1.4865615366388862
Energy: 1.596726652202269
Energy: 1.5134493258715658
Energy: 1.5967266522037515
Energy: 1.5134493258715658
Energy: 1.5967266522015273
Energy: 1.513449325870083
Energy: 1.5192091841940323
Energy: 1.5074111940931414
Energy: 1.5248879864601304
Energy: 1.5074111940931414
Energy: 1.5192091841940323
Energy: 1.5074111940916588
Energy: 1.6139482166245542
Energy: 1.8373448977581734
Energy: 1.5698036825007795
Energy: 1.8373448977581734
Energy: 1.6139482166245542
Energy: 1.837344897757432
Energy: 1.608226990085583
Energy: 1.541140160566012
Energy: 1.608226990085583
Energy: 1.541140160566012
Energy: 1.608226990085583
Energy: 1.5411401605667534
Energy: 1.4862953668379602
Energy: 1.4985943312761307
Energy: 1.4862953668387016
Energy: 1.4985943312761307
Energy: 1.4862953668387016
Energy: 1.498594331276872
Energy: 1.4535976727678268
Energy: 1.597513034538532
Energy: 1.4535976727685682
Energy: 1.5975130345377906
Energy: 1.4535976727678268
Energy: 1.597513034536308
Energy: 1.4535793899309035
Energy: 1.5677909244849835
Energy: 1.4535793899323861
Energy: 1.5677909244849835
Energy: 1.453579389931645
Energy: 1.5677909244842423
Energy: 1.5763075329654457
Energy: 1.5854518504852566
Energy: 1.5763075329669285
Energy: 1.5854518504852566
Energy: 1.5763075329654457
Energy: 1.5854518504830324

minimum gb energy = 1.4534269285847123 eV
minimum distance =  2.25955340074236 Angstroms
sigma value = 19


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

Energy: 1.4702558547435018
Energy: 1.699164471409746
Energy: 1.4702558547441418
Energy: 1.699164471409746
Energy: 1.4702558547435018
Energy: 1.699164471409746
Energy: 1.5219906255524465
Energy: 1.526339383500431
Energy: 1.5219906255518065
Energy: 1.526339383500431
Energy: 1.5219906255524465
Energy: 1.526339383500431
Energy: 1.5583829838866303
Energy: 1.4269261665071271
Energy: 1.5583829838866303
Energy: 1.4269261665084072
Energy: 1.5583829838866303
Energy: 1.4269261665077673
Energy: 1.4182422658092046
Energy: 1.5504760073327268
Energy: 1.4182422658092046
Energy: 1.5504760073327268
Energy: 1.4182422658092046
Energy: 1.5504760073327268
Energy: 1.522188347292782
Energy: 1.5191873157702458
Energy: 1.522188347292142
Energy: 1.5191873157708857
Energy: 1.522188347292782
Energy: 1.5191873157715257
Energy: 1.5651876346415927
Energy: 1.425690145868529
Energy: 1.5651876346415927
Energy: 1.425690145868529
Energy: 1.5651876346415927
Energy: 1.425690145867889
Energy: 1.4683214119365455
Energy: 1.6390879687437054
Energy: 1.4683214119359054
Energy: 1.6390879687437054
Energy: 1.4683214119365455
Energy: 1.6390879687437054
Energy: 1.4498779264760642
Energy: 1.644042294832046
Energy: 1.449877926474784
Energy: 1.6440422948314057
Energy: 1.449877926474784
Energy: 1.6440422948314057
Energy: 1.5925863339279012
Energy: 1.396671870884615
Energy: 1.5925863339279012
Energy: 1.396671870884615
Energy: 1.5925863339279012
Energy: 1.396671870884615
Energy: 1.5219539170564178
Energy: 1.5175598429567092
Energy: 1.5219539170564178
Energy: 1.5175598429560695
Energy: 1.5219539170564178
Energy: 1.5175598429560695
Energy: 1.4076271215347347
Energy: 1.6308322944174967
Energy: 1.4076271215347347
Energy: 1.6308322944130171
Energy: 1.4076271215353746
Energy: 1.6308322944155766
Energy: 1.5942714331259844
Energy: 1.4250571237923793
Energy: 1.5942714331259844
Energy: 1.4250571237923793
Energy: 1.5942714331259844
Energy: 1.4250571237923793
Energy: 1.5427398983360514
Energy: 1.4808303672681011
Energy: 1.5427398983360514
Energy: 1.480830367268741
Energy: 1.5427398983360514
Energy: 1.4808303672681011
Energy: 1.424064670822367
Energy: 1.5485081901478266
Energy: 1.424064670822367
Energy: 1.5485081901478266
Energy: 1.424064670822367
Energy: 1.5485081901478266
Energy: 1.5628933894433108
Energy: 1.4342822499059606
Energy: 1.562893389442031
Energy: 1.4342822499059606
Energy: 1.562893389442031
Energy: 1.4342822499066006
Energy: 1.622655064875139
Energy: 1.3968288837108964
Energy: 1.622655064875139
Energy: 1.3968288837102565
Energy: 1.622655064875139
Energy: 1.3968288837102565
Energy: 1.434850342328375
Energy: 1.545440492382339
Energy: 1.434850342328375
Energy: 1.545440492382979
Energy: 1.434850342328375
Energy: 1.545440492382339
Energy: 1.5038960981038274
Energy: 1.5419278659121058
Energy: 1.5038960981044673
Energy: 1.541927865910826
Energy: 1.5038960981044673
Energy: 1.541927865911466
Energy: 1.5353899471358616
Energy: 1.4246274471181253
Energy: 1.5353899471358616
Energy: 1.4246274471181253
Energy: 1.5353899471358616
Energy: 1.4246274471181253
Energy: 1.4337409746744574
Energy: 1.5205388777694773
Energy: 1.4337409746738174
Energy: 1.5205388777701172
Energy: 1.4337409746744574
Energy: 1.5205388777688373
Energy: 1.4298535271091977
Energy: 1.6272403512960127
Energy: 1.4298535271085575
Energy: 1.6272403512960127
Energy: 1.4298535271091977
Energy: 1.6272403512960127
Energy: 1.5998165273681115
Energy: 1.4267986827094943
Energy: 1.5998165273681115
Energy: 1.4267986827101342
Energy: 1.5998165273681115
Energy: 1.4267986827094943
Energy: 1.5656925913840967
Energy: 1.524043601990719
Energy: 1.5656925913840967
Energy: 1.524043601990719
Energy: 1.5656925913840967
Energy: 1.524043601990719
Energy: 1.458667809087823
Energy: 1.530416422899553
Energy: 1.458667809087823
Energy: 1.530416422899553
Energy: 1.458667809087823
Energy: 1.530416422899553
Energy: 1.500474153566923
Energy: 1.4269640568192896
Energy: 1.500474153566283
Energy: 1.4269640568192896
Energy: 1.500474153566923
Energy: 1.4269640568192896
Energy: 1.5503822000220469
Energy: 1.4507945280830055
Energy: 1.5503822000220469
Energy: 1.4507945280830055
Energy: 1.5503822000220469
Energy: 1.4507945280830055
Energy: 1.4010892909685437
Energy: 1.5322678117297992
Energy: 1.4010892909691839
Energy: 1.5322678117297992
Energy: 1.4010892909691839
Energy: 1.5322678117297992
Energy: 1.5475872158569053
Energy: 1.4243316740746728
Energy: 1.5475872158569053
Energy: 1.4243316740740328
Energy: 1.5475872158562656
Energy: 1.4243316740740328
Energy: 1.511671492812056
Energy: 1.4246633213900408
Energy: 1.511671492812056
Energy: 1.4246633213900408
Energy: 1.511671492812056
Energy: 1.4246633213894009

minimum gb energy = 1.396671870884615 eV
minimum distance =  2.27863510192842 Angstroms
sigma value = 101


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

Energy: 1.3820956494849417
Energy: 1.5673825962043784
Energy: 1.3820956494849417
Energy: 1.5673825962043784
Energy: 1.3820956494843792
Energy: 1.567382596204941
Energy: 1.496502140799617
Energy: 1.4331415425535436
Energy: 1.496502140797929
Energy: 1.4331415425546687
Energy: 1.4965021407973667
Energy: 1.4331415425552314
Energy: 1.4772501663975692
Energy: 1.3616888858643337
Energy: 1.4772501663975692
Energy: 1.3616888858643337
Energy: 1.4772501663981317
Energy: 1.3616888858643337
Energy: 1.3235002542302905
Energy: 1.7911199791154893
Energy: 1.3235002542291654
Energy: 1.7507876860677838
Energy: 1.323500254228603
Energy: 1.7507876860666587
Energy: 1.4377027970813192
Energy: 1.4219631545617308
Energy: 1.4377027970813192
Energy: 1.421963154562856
Energy: 1.4377027970813192
Energy: 1.4219631545600435
Energy: 1.5467672310390346
Energy: 1.3420821801171612
Energy: 1.546767231038472
Energy: 1.3420821801171612
Energy: 1.5467672310390346
Energy: 1.3420821801171612
Energy: 1.357891707302448
Energy: 1.655561574476457
Energy: 1.3578917073030108
Energy: 1.655561574476457
Energy: 1.3578917073018855
Energy: 1.655561574476457
Energy: 1.3423570338310096
Energy: 1.4937100482905856
Energy: 1.3423570338321344
Energy: 1.4937100482905856
Energy: 1.3423570338310096
Energy: 1.4937100482900232
Energy: 1.5423082289768502
Energy: 1.3433745201228675
Energy: 1.5423082289768502
Energy: 1.3433745201223048
Energy: 1.5423082289774126
Energy: 1.3433745201228675
Energy: 1.5152412149605703
Energy: 1.4356567322164635
Energy: 1.5152412149622578
Energy: 1.5000637374686685
Energy: 1.5152412149616956
Energy: 1.500063737469231
Energy: 1.322450893836766
Energy: 1.654505039335279
Energy: 1.322450893836766
Energy: 1.654505039335279
Energy: 1.322450893836766
Energy: 1.654505039335279
Energy: 1.4283419631231973
Energy: 1.397242109116697
Energy: 1.4283419631243222
Energy: 1.3972421091172598
Energy: 1.4283419631231973
Energy: 1.3972421091172598
Energy: 1.504977756788388
Energy: 1.3622303202418078
Energy: 1.504977756788388
Energy: 1.3622303202418078
Energy: 1.5049777567878253
Energy: 1.3622303202406827
Energy: 1.3822231383828378
Energy: 1.5253653393807423
Energy: 1.3822231383834005
Energy: 1.5764128947849334
Energy: 1.3822231383834005
Energy: 1.5764128947838083
Energy: 1.4835708997798382
Energy: 1.4095601528683799
Energy: 1.4835708997792756
Energy: 1.4095601528678172
Energy: 1.4835708997809633
Energy: 1.4095601528678172
Energy: 1.5583215288806964
Energy: 1.3650387753667828
Energy: 1.5583215288806964
Energy: 1.3650387753667828
Energy: 1.5583215288806964
Energy: 1.3650387753667828
Energy: 1.3225078385172149
Energy: 1.4547601187027053
Energy: 1.3225078385172149
Energy: 1.4547601187038304
Energy: 1.3225078385177773
Energy: 1.4547601187122683
Energy: 1.3166130893022578
Energy: 1.4772685062941513
Energy: 1.3166130893028203
Energy: 1.4772685062941513
Energy: 1.3166130893022578
Energy: 1.4772685062935889
Energy: 1.5437887395127803
Energy: 1.3426344170484128
Energy: 1.5437887395127803
Energy: 1.3426344170478501
Energy: 1.5437887395127803
Energy: 1.3426344170484128
Energy: 1.4311057714138833
Energy: 1.4819470902915866
Energy: 1.4311057714138833
Energy: 1.481947090291024
Energy: 1.431105771414446
Energy: 1.481947090291024
Energy: 1.3423345739185764
Energy: 1.6394276748824494
Energy: 1.3423345739168886
Energy: 1.6394276748824494
Energy: 1.3423345739180137
Energy: 1.6394276748824494
Energy: 1.6584700907922196
Energy: 1.3415358844943583
Energy: 1.6584700907922196
Energy: 1.341535884494921
Energy: 1.6584700907916572
Energy: 1.3415358844954837
Energy: 1.5451619845422566
Energy: 1.3423805693562563
Energy: 1.5451619845422566
Energy: 1.3423805693562563
Energy: 1.545161984542819
Energy: 1.3423805693562563
Energy: 1.3236901028769683
Energy: 1.5474198378218114
Energy: 1.3236901028764059
Energy: 1.5474198378218114
Energy: 1.3236901028775307
Energy: 1.5474198378218114
Energy: 1.42978032369624
Energy: 1.3934737608961756
Energy: 1.4297803236979276
Energy: 1.393473760896738
Energy: 1.4297803236956776
Energy: 1.393473760896738
Energy: 1.505679849820189
Energy: 1.3616301294921174
Energy: 1.505679849820189
Energy: 1.3616301294926796
Energy: 1.5056798498207518
Energy: 1.3616301294926796
Energy: 1.3822057021576668
Energy: 1.500794683433092
Energy: 1.3822057021571044
Energy: 1.500794683433092
Energy: 1.3822057021571044
Energy: 1.500794683433092
Energy: 1.3827312606714035
Energy: 1.5184976655861164
Energy: 1.382731260673654
Energy: 1.5184976655861164
Energy: 1.3827312606725288
Energy: 1.518497665586679
Energy: 1.547449418440704
Energy: 1.3615909677783016
Energy: 1.5474494184412666
Energy: 1.3615909677777391
Energy: 1.5474494184412666
Energy: 1.3615909677783016
Energy: 1.3164919843399854
Energy: 1.4968960798741036
Energy: 1.316491984340548
Energy: 1.4968960798729785
Energy: 1.316491984339423
Energy: 1.4968960798741036
Energy: 1.3223833980256936
Energy: 1.4708177388160455
Energy: 1.322383398024006
Energy: 1.4708177388160455
Energy: 1.3223833980245685
Energy: 1.4708177388160455
Energy: 1.5267261129354253
Energy: 1.3413163000528092
Energy: 1.5267261129354253
Energy: 1.3413163000533717
Energy: 1.5267261129354253
Energy: 1.341316300051684
Energy: 1.6593938497299954
Energy: 1.3424103594386154
Energy: 1.6593938497299954
Energy: 1.3424103594391779
Energy: 1.6593938497299954
Energy: 1.3424103594386154

minimum gb energy = 1.316491984339423 eV
minimum distance =  2.29769315170105 Angstroms
sigma value = 33


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

Energy: 0.020522328627323144
Energy: 1.222912011899907
Energy: 0.020522328627323144
Energy: 1.2229120118994397
Energy: 0.020522328627323144
Energy: 1.2229120118994397
Energy: 0.021436204005252382
Energy: 0.4553861112913555
Energy: 0.021436204005252382
Energy: 0.45538611129088813
Energy: 0.021436204005252382
Energy: 0.4553861112913555
Energy: 1.2239729921292504
Energy: 0.4546869872026395
Energy: 1.2236511895499058
Energy: 0.4546869871984848
Energy: 1.223973021026311
Energy: 0.45468698741094493
Energy: 0.021436204005719786
Energy: 0.45538611129088813
Energy: 0.021436204005719786
Energy: 0.45538611129047263
Energy: 0.021436204005719786
Energy: 0.45538611129088813

minimum gb energy = 0.020522328627323144 eV
minimum distance =  2.48492824418827 Angstroms
sigma value = 1