Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8510001525282864
cohesive_energy=4.290337035123411
mass=55.845
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: 0.013329407528517884
Energy: 0.013686967682797023
Energy: 0.5231946672887815
Energy: 0.013686967682797023
Energy: 0.013329407528517884
Energy: 0.013686967682797023
Energy: 0.013686967682797023
Energy: 3.0918285891709956
Energy: 0.013686967682797023
Energy: 3.0918285891709956
Energy: 0.013686967682797023
Energy: 3.091828589170519
Energy: 0.5231946672887815
Energy: 0.013686967682797023
Energy: 0.013329407528517884
Energy: 0.013686967682797023
Energy: 0.5231946672887815
Energy: 0.013686967682797023
Energy: 0.013686967682797023
Energy: 3.091828589170519
Energy: 0.013686967682797023
Energy: 3.091828589170519
Energy: 0.013686967682797023
Energy: 3.091828589170519
Energy: 0.013329407528517884
Energy: 0.013686967682797023
Energy: 0.5231946672887815
Energy: 0.013686967682797023
Energy: 0.013329407528517884
Energy: 0.013686967682797023
Energy: 0.013686967682797023
Energy: 3.091828589170519
Energy: 0.013686967682797023
Energy: 3.0918285891709956
Energy: 0.013686967682797023
Energy: 3.091828589170519

minimum gb energy = 0.013329407528517884 eV
minimum distance =  2.32576349507841 Angstroms
sigma value = 1


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

Energy: 1.2576187039302367
Energy: 1.2337491164274312
Energy: 1.2348200768498652
Energy: 1.2337491164274312
Energy: 1.2576187039302367
Energy: 1.2337491164274312
Energy: 1.2213048945548148
Energy: 1.2084480420742783
Energy: 1.1738428829498708
Energy: 1.2084480420742783
Energy: 1.2213048945560283
Energy: 1.2084480420742783
Energy: 1.1774788266834386
Energy: 1.2085202455440378
Energy: 1.2490830547425824
Energy: 1.2085202455440378
Energy: 1.1774788266834386
Energy: 1.2085202455440378
Energy: 1.3309749838405946
Energy: 1.1969597058863986
Energy: 1.1775917931814015
Energy: 1.1969597058863986
Energy: 1.3309749838405946
Energy: 1.1969597058863986
Energy: 1.2747308191562596
Energy: 1.2343425996409318
Energy: 1.2830933748941802
Energy: 1.2343425996409318
Energy: 1.274730819155046
Energy: 1.2343425996409318
Energy: 1.249351246566134
Energy: 1.2086111054456092
Energy: 1.1848859774112606
Energy: 1.2086111054456092
Energy: 1.2493512465673478
Energy: 1.2086111054456092
Energy: 1.2487810489187392
Energy: 1.2083693167010976
Energy: 1.1776116600204745
Energy: 1.208369316699884
Energy: 1.248781048919953
Energy: 1.208369316699884
Energy: 1.3005555586287045
Energy: 1.2342305633115054
Energy: 1.1678356469059907
Energy: 1.2342305633115054
Energy: 1.3005555586287045
Energy: 1.2342305633115054
Energy: 1.2754776544539401
Energy: 1.1973228753408813
Energy: 1.1766061588467958
Energy: 1.1973228753408813
Energy: 1.2754776544527262
Energy: 1.1973228753408813
Energy: 1.2509741661941354
Energy: 1.20842671261227
Energy: 1.1841110618362596
Energy: 1.208426712613484
Energy: 1.2509741661941354
Energy: 1.208426712613484
Energy: 1.2191994217784528
Energy: 1.2042334008826858
Energy: 1.2210652581003039
Energy: 1.2042334008826858
Energy: 1.2191994217772388
Energy: 1.2042334008826858
Energy: 1.1703675985715722
Energy: 1.2340333119121718
Energy: 1.1703621432608333
Energy: 1.2340333119121718
Energy: 1.1703675985715722
Energy: 1.2340333119121718
Energy: 1.220948554013497
Energy: 1.2042334008826858
Energy: 1.1795420555737448
Energy: 1.2042334008826858
Energy: 1.220948554013497
Energy: 1.2042334008826858
Energy: 1.1838978942452063
Energy: 1.2084452342642102
Energy: 1.2509887301083469
Energy: 1.2084452342642102
Energy: 1.1838978942452063
Energy: 1.2084452342642102
Energy: 1.1767207252778327
Energy: 1.1975063998589048
Energy: 1.2753793801556061
Energy: 1.197506399857691
Energy: 1.176720725276619
Energy: 1.197506399857691
Energy: 1.1675764059204086
Energy: 1.2344368863507247
Energy: 1.30125850172395
Energy: 1.2344368863507247
Energy: 1.1675764059204086
Energy: 1.2344368863507247
Energy: 1.1776330214453907
Energy: 1.208095401307477
Energy: 1.2487752783767765
Energy: 1.208095401306263
Energy: 1.1776330214453907
Energy: 1.208095401306263
Energy: 1.1849730233820137
Energy: 1.20857525993307
Energy: 1.24933073856991
Energy: 1.20857525993307
Energy: 1.1849730233820137
Energy: 1.20857525993307
Energy: 1.2154473262903442
Energy: 1.2343421486520438
Energy: 1.27470236472859
Energy: 1.2343421486508301
Energy: 1.2154473262903442
Energy: 1.2343421486508301
Energy: 1.177671727875701
Energy: 1.1969648790389076
Energy: 1.330981735877541
Energy: 1.1969648790389076
Energy: 1.177671727875701
Energy: 1.1969648790389076
Energy: 1.2490630108178298
Energy: 1.2085327371027446
Energy: 1.1774785722153216
Energy: 1.2085327371027446
Energy: 1.2490630108178298
Energy: 1.2085327371027446
Energy: 1.173696008615241
Energy: 1.2086473175335286
Energy: 1.2212576713502976
Energy: 1.208647317534742
Energy: 1.173696008615241
Energy: 1.2086473175335286
Energy: 1.2805386549533264
Energy: 1.2337491164262173
Energy: 1.2576187039290232
Energy: 1.2337491164274312
Energy: 1.2805386549521125
Energy: 1.2337491164274312

minimum gb energy = 1.1675764059204086 eV
minimum distance =  2.26309672383678 Angstroms
sigma value = 33


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

Energy: 1.7122289570946518
Energy: 1.3086559499016233
Energy: 1.2732781264100648
Energy: 1.3086559499016233
Energy: 1.7122289570946518
Energy: 1.3086559499016233
Energy: 1.2437078724240374
Energy: 1.2702226049549954
Energy: 1.258141380573198
Energy: 1.2702226049549954
Energy: 1.2437078724240374
Energy: 1.2702226049549954
Energy: 1.2188409647721232
Energy: 1.3047913952093468
Energy: 1.368946416848543
Energy: 1.3047913952100372
Energy: 1.2188409647721232
Energy: 1.3047913952100372
Energy: 1.257622150433055
Energy: 1.261367209396666
Energy: 1.4030046084740513
Energy: 1.2613672093973562
Energy: 1.257622150433055
Energy: 1.2613672093973562
Energy: 1.2576707655451977
Energy: 1.2813795423979606
Energy: 1.3816966386645644
Energy: 1.2813795423979606
Energy: 1.2576707655451977
Energy: 1.2813795423979606
Energy: 1.251277872498169
Energy: 1.2824876244271242
Energy: 1.2326269961592446
Energy: 1.2824876244271242
Energy: 1.2512778724995497
Energy: 1.2824876244271242
Energy: 1.2515958720988822
Energy: 1.2828232741087144
Energy: 1.3067998226611612
Energy: 1.282823274108024
Energy: 1.2515958720981921
Energy: 1.282823274108024
Energy: 1.232777423227042
Energy: 1.28152770872913
Energy: 1.2504501901726028
Energy: 1.2815277087298202
Energy: 1.232777423227042
Energy: 1.2815277087298202
Energy: 1.256943536758026
Energy: 1.2615938204087513
Energy: 1.2513149411372644
Energy: 1.2615938204087513
Energy: 1.2569435367573358
Energy: 1.2615938204087513
Energy: 1.2511800267783268
Energy: 1.3048457781219114
Energy: 1.2565351844886228
Energy: 1.304845778121221
Energy: 1.2511800267783268
Energy: 1.304845778121221
Energy: 1.2431860516099977
Energy: 1.2705729410524602
Energy: 1.257543277404697
Energy: 1.2705729410531506
Energy: 1.243186051610688
Energy: 1.2705729410531506
Energy: 1.3688788816925992
Energy: 1.2815658055073755
Energy: 1.2746078902396296
Energy: 1.2815658055073755
Energy: 1.3688788816925992
Energy: 1.2815658055080659
Energy: 1.4163910602696361
Energy: 1.2733097427120035
Energy: 1.2716058142008848
Energy: 1.273309742712694
Energy: 1.4163910602703262
Energy: 1.273309742712694
Energy: 1.3085163391768397
Energy: 1.3044667227825129
Energy: 1.2570316767870968
Energy: 1.3044667227832032
Energy: 1.3085163391761494
Energy: 1.3044667227832032
Energy: 1.3697301739336976
Energy: 1.2815263430305766
Energy: 1.3504854237827044
Energy: 1.2815263430305766
Energy: 1.3697301739336976
Energy: 1.2815263430305766
Energy: 1.3697001148251366
Energy: 1.2812686095513577
Energy: 1.274732854672844
Energy: 1.2812686095513577
Energy: 1.3697001148251366
Energy: 1.2812686095513577
Energy: 1.3817407095177558
Energy: 1.2827407469291794
Energy: 1.256441522864131
Energy: 1.282740746928489
Energy: 1.3817407095177558
Energy: 1.282740746928489
Energy: 1.3820080943772481
Energy: 1.2695495216569206
Energy: 1.3999166256890725
Energy: 1.2695495216562303
Energy: 1.3820080943772481
Energy: 1.2695495216562303
Energy: 1.2323213926894254
Energy: 1.2816555736872421
Energy: 1.2504772585954662
Energy: 1.2816555736872421
Energy: 1.2323213926901158
Energy: 1.2816555736872421
Energy: 1.2563953876564786
Energy: 1.2612425024828204
Energy: 1.2539677190000984
Energy: 1.2612425024828204
Energy: 1.2563953876564786
Energy: 1.2612425024828204
Energy: 1.368917965099921
Energy: 1.304722214243019
Energy: 1.2470624862384831
Energy: 1.304722214243019
Energy: 1.368917965099921
Energy: 1.304722214243019
Energy: 1.2436623565050597
Energy: 1.2702862424987784
Energy: 1.4021737374493721
Energy: 1.2702862424980883
Energy: 1.2436623565050597
Energy: 1.2702862424980883
Energy: 1.2566270512004571
Energy: 1.2815495674878885
Energy: 1.3817030336193605
Energy: 1.281549567488579
Energy: 1.2566270511997668
Energy: 1.281549567488579
Energy: 1.4070929149804607
Energy: 1.2698101550683156
Energy: 1.2576535520121526
Energy: 1.2698101550683156
Energy: 1.4070929149797704
Energy: 1.2698101550683156
Energy: 1.2762055585343535
Energy: 1.2846027902892372
Energy: 1.3686300440683978
Energy: 1.2846027902892372
Energy: 1.2762055585343535
Energy: 1.2846027902892372
Energy: 1.2580938508436559
Energy: 1.3054372439742543
Energy: 1.2588331049650574
Energy: 1.3054372439735638
Energy: 1.258093850847798
Energy: 1.3054372439735638
Energy: 1.2578576411969469
Energy: 1.3054395357141946
Energy: 1.258833104964367
Energy: 1.3054395357141946
Energy: 1.2578576411969469
Energy: 1.3054395357141946
Energy: 1.276326706607589
Energy: 1.2846112319308414
Energy: 1.368659904045001
Energy: 1.284611231930151
Energy: 1.276326706608279
Energy: 1.284611231930151
Energy: 1.4072144942033638
Energy: 1.2698039916454158
Energy: 1.2580860143365407
Energy: 1.2698039916454158
Energy: 1.4072144942033638
Energy: 1.2698039916454158
Energy: 1.2566274860100697
Energy: 1.2815546951653503
Energy: 1.381708715762871
Energy: 1.2815546951653503
Energy: 1.2566274860100697
Energy: 1.2815546951653503
Energy: 1.2435947366768527
Energy: 1.2702862424980883
Energy: 1.4021441631124867
Energy: 1.2702862424980883
Energy: 1.2435947366775433
Energy: 1.2702862424980883
Energy: 1.3689611531114128
Energy: 1.3047181482397259
Energy: 1.2470483518592788
Energy: 1.3047181482397259
Energy: 1.3689611531114128
Energy: 1.3047181482404162
Energy: 1.2563593204886976
Energy: 1.2615144521477701
Energy: 1.2526147749090735
Energy: 1.2615144521484603
Energy: 1.2563593204886976
Energy: 1.2615144521484603
Energy: 1.2323254317854588
Energy: 1.2816493617568938
Energy: 1.250443549860986
Energy: 1.2816493617568938
Energy: 1.2323254317854588
Energy: 1.2816493617568938
Energy: 1.3821161938767148
Energy: 1.2695348286887542
Energy: 1.419357305185108
Energy: 1.2695348286880639
Energy: 1.3821161938767148
Energy: 1.2695348286880639
Energy: 1.3818987953744128
Energy: 1.28274915750261
Energy: 1.2564344517092643
Energy: 1.28274915750261
Energy: 1.3818987953744128
Energy: 1.28274915750261
Energy: 1.3694929946656609
Energy: 1.2812370003487121
Energy: 1.274725641699696
Energy: 1.2812370003487121
Energy: 1.3694929946663512
Energy: 1.2812370003487121
Energy: 1.3698742174509055
Energy: 1.281563331036916
Energy: 1.3508576877726493
Energy: 1.281563331036916
Energy: 1.3698742174509055
Energy: 1.2815633310362258
Energy: 1.308511835829436
Energy: 1.3044598268615795
Energy: 1.2570327759537032
Energy: 1.3044598268615795
Energy: 1.308511835829436
Energy: 1.3044598268615795
Energy: 1.4165268653567145
Energy: 1.2730892775669065
Energy: 1.271860504589629
Energy: 1.2730892775662161
Energy: 1.4165268653567145
Energy: 1.2730892775662161
Energy: 1.3688714479493351
Energy: 1.2815581696076999
Energy: 1.2745687675152004
Energy: 1.2815581696076999
Energy: 1.3688714479493351
Energy: 1.2815581696076999

minimum gb energy = 1.2188409647721232 eV
minimum distance =  2.23329098130966 Angstroms
sigma value = 51


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

Energy: 1.4690535646812346
Energy: 1.3275361481300227
Energy: 1.349966006525767
Energy: 1.3275361481300227
Energy: 1.4690535646812346
Energy: 1.3275361481300227
Energy: 1.2309701069308931
Energy: 1.2738062482302293
Energy: 1.5268943822495895
Energy: 1.2738062482302293
Energy: 1.2309701069292938
Energy: 1.2738062482318286
Energy: 1.2310625333601182
Energy: 1.3276346347399492
Energy: 1.5264291329247337
Energy: 1.3276346347399492
Energy: 1.2310625333601182
Energy: 1.3276346347399492
Energy: 1.2449978566037279
Energy: 1.2742012299302077
Energy: 1.527902576786453
Energy: 1.2742012299302077
Energy: 1.2449978566037279
Energy: 1.2742012299302077
Energy: 1.2316345993861464
Energy: 1.277915339047394
Energy: 1.441398938747203
Energy: 1.2779153390457947
Energy: 1.2316345993861464
Energy: 1.2779153390457947
Energy: 1.4686526448963948
Energy: 1.2740710097435397
Energy: 1.5745090066977026
Energy: 1.2740710097435397
Energy: 1.4686526448963948
Energy: 1.2740710097435397
Energy: 1.4690971275380722
Energy: 1.2762723551566744
Energy: 1.3488894346099196
Energy: 1.2762723551566744
Energy: 1.4690971275380722
Energy: 1.2762723551566744
Energy: 1.2491729849544617
Energy: 1.2741264029580364
Energy: 1.216796090029399
Energy: 1.2741264029580364
Energy: 1.2491729849544617
Energy: 1.2741264029580364
Energy: 1.4693221105283634
Energy: 1.2930578665495591
Energy: 1.2195263040709512
Energy: 1.2930578665495591
Energy: 1.4693221105267638
Energy: 1.2930578665495591
Energy: 1.231104501238005
Energy: 1.3285861823111642
Energy: 1.2168991568717573
Energy: 1.3285861823111642
Energy: 1.231104501238005
Energy: 1.3285861823111642
Energy: 1.5440414625846302
Energy: 1.2752538103974194
Energy: 1.5271319638480914
Energy: 1.2752538103990188
Energy: 1.5440414625846302
Energy: 1.2752538103990188
Energy: 1.4687111417669723
Energy: 1.3281930707105893
Energy: 1.5743260827634529
Energy: 1.3281930707105893
Energy: 1.4687111417669723
Energy: 1.3281930707105893
Energy: 1.3619752950405877
Energy: 1.274434454003185
Energy: 1.526876444930223
Energy: 1.2744344540015853
Energy: 1.3619752950405877
Energy: 1.274434454003185
Energy: 1.2310223819290107
Energy: 1.3280631375043306
Energy: 1.5267183913483
Energy: 1.3280631375043306
Energy: 1.2310223819290107
Energy: 1.3280631375043306
Energy: 1.230957860006645
Energy: 1.327829043102
Energy: 1.526797476114262
Energy: 1.327829043102
Energy: 1.230957860006645
Energy: 1.327829043102
Energy: 1.2320949463708475
Energy: 1.2782818695713565
Energy: 1.5266940019112052
Energy: 1.2782818695729559
Energy: 1.2320949463708475
Energy: 1.2782818695729559
Energy: 1.4686701521136896
Energy: 1.3280133916914858
Energy: 1.5726732823484622
Energy: 1.3280133916914858
Energy: 1.4686701521136896
Energy: 1.3280133916914858
Energy: 1.4688161557454813
Energy: 1.2839113069191745
Energy: 1.526737768936807
Energy: 1.2839113069191745
Energy: 1.4688161557454813
Energy: 1.2839113069191745

minimum gb energy = 1.216796090029399 eV
minimum distance =  2.22642210075335 Angstroms
sigma value = 19


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

Energy: 1.5890781307568709
Energy: 1.3922013804361535
Energy: 1.328459077894228
Energy: 1.3922013804361535
Energy: 1.589078130755922
Energy: 1.3922013804361535
Energy: 1.2859057873088815
Energy: 1.3672508733661126
Energy: 1.3099622887696263
Energy: 1.3672508733661126
Energy: 1.2859057873088815
Energy: 1.3672508733661126
Energy: 1.2548070751748868
Energy: 1.3819723981526792
Energy: 1.3974715832251392
Energy: 1.3819723981526792
Energy: 1.2548070751758358
Energy: 1.3819723981526792
Energy: 1.2825690008776505
Energy: 1.3510745014245376
Energy: 1.3096373665146366
Energy: 1.3510745014245376
Energy: 1.2825690008776505
Energy: 1.3510745014245376
Energy: 1.28289925909944
Energy: 1.3908797634090253
Energy: 1.6201642274769603
Energy: 1.3908797634090253
Energy: 1.28289925909944
Energy: 1.3908797634090253
Energy: 1.6201699689110194
Energy: 1.3910323741741921
Energy: 1.2828993162525877
Energy: 1.3910323741741921
Energy: 1.6201699689100706
Energy: 1.3910323741741921
Energy: 1.3096326632989796
Energy: 1.3510714612377415
Energy: 1.2825818487627052
Energy: 1.3510714612377415
Energy: 1.3096326632980309
Energy: 1.3510714612377415
Energy: 1.39748611015791
Energy: 1.3819706319123983
Energy: 1.2547923545862567
Energy: 1.3819706319123983
Energy: 1.39748611015791
Energy: 1.3819706319123983
Energy: 1.3098546557928354
Energy: 1.3672541449659692
Energy: 1.2546415834333948
Energy: 1.3672541449659692
Energy: 1.3098546557928354
Energy: 1.3672541449659692
Energy: 1.3498114884998549
Energy: 1.3922013804361535
Energy: 1.5890781307568709
Energy: 1.3922013804361535
Energy: 1.3498114884998549
Energy: 1.3922013804361535
Energy: 1.3099622887696263
Energy: 1.3672508733670616
Energy: 1.2719026875124169
Energy: 1.3672508733670616
Energy: 1.3099622887696263
Energy: 1.3672508733670616
Energy: 1.397471583226088
Energy: 1.3819723981526792
Energy: 1.2548070751748868
Energy: 1.3819723981526792
Energy: 1.3974715832251392
Energy: 1.3819723981526792
Energy: 1.3096373665146366
Energy: 1.3510745014245376
Energy: 1.2825690008776505
Energy: 1.3510745014245376
Energy: 1.3096373665136878
Energy: 1.3510745014245376
Energy: 1.6201642274769603
Energy: 1.3908797634090253
Energy: 1.28289925909944
Energy: 1.3908797634090253
Energy: 1.6201642274769603
Energy: 1.3908797634090253
Energy: 1.2828993162525877
Energy: 1.3910323741741921
Energy: 1.5654468285428114
Energy: 1.3910323741741921
Energy: 1.2828993162525877
Energy: 1.391032374175141
Energy: 1.3129233879760174
Energy: 1.3510714612386905
Energy: 1.3096326632980309
Energy: 1.3510714612377415
Energy: 1.3129233879760174
Energy: 1.3510714612377415
Energy: 1.2547923545862567
Energy: 1.3819706319123983
Energy: 1.39748611015791
Energy: 1.3819706319123983
Energy: 1.2547923545862567
Energy: 1.3819706319123983
Energy: 1.2546415834343436
Energy: 1.3672541449659692
Energy: 1.3098546557928354
Energy: 1.3672541449659692
Energy: 1.2546415834343436
Energy: 1.3672541449659692
Energy: 1.589078130755922
Energy: 1.3922013804361535
Energy: 1.3498114884998549
Energy: 1.3922013804361535
Energy: 1.5890781307568709
Energy: 1.3922013804361535
Energy: 1.2719026875124169
Energy: 1.3672508733670616
Energy: 1.3099622887705749
Energy: 1.3672508733670616
Energy: 1.2719026875124169
Energy: 1.3672508733670616
Energy: 1.2548070751748868
Energy: 1.3819723981526792
Energy: 1.3974715832251392
Energy: 1.3819723981526792
Energy: 1.2548070751748868
Energy: 1.3819723981526792
Energy: 1.2825690008776505
Energy: 1.3510745014245376
Energy: 1.3096373665146366
Energy: 1.3510745014245376
Energy: 1.2825690008776505
Energy: 1.3510745014245376
Energy: 1.28289925909944
Energy: 1.3908797634090253
Energy: 1.6201642274769603
Energy: 1.3908797634090253
Energy: 1.28289925909944
Energy: 1.3908797634090253
Energy: 1.491763757480344
Energy: 1.3910323741741921
Energy: 1.2828993162525877
Energy: 1.3910323741741921
Energy: 1.491763757480344
Energy: 1.391032374175141
Energy: 1.3096326632989796
Energy: 1.3510714612377415
Energy: 1.339778062463008
Energy: 1.3510714612377415
Energy: 1.3096326632980309
Energy: 1.3510714612377415
Energy: 1.3974861101588587
Energy: 1.3819706319123983
Energy: 1.2547923545862567
Energy: 1.3819706319123983
Energy: 1.39748611015791
Energy: 1.3819706319123983
Energy: 1.3098546557918866
Energy: 1.3672541449659692
Energy: 1.2546415834343436
Energy: 1.3672541449659692
Energy: 1.3098546557918866
Energy: 1.3672541449659692
Energy: 1.3498114884998549
Energy: 1.3922013804361535
Energy: 1.589078130755922
Energy: 1.3922013804361535
Energy: 1.3498114884998549
Energy: 1.3922013804361535
Energy: 1.3099622887696263
Energy: 1.3672508733670616
Energy: 1.2719026875124169
Energy: 1.3672508733670616
Energy: 1.3099622887696263
Energy: 1.3672508733670616
Energy: 1.397471583226088
Energy: 1.3819723981526792
Energy: 1.2548070751748868
Energy: 1.3819723981526792
Energy: 1.397471583226088
Energy: 1.3819723981526792

minimum gb energy = 1.2546415834333948 eV
minimum distance =  2.21777378789599 Angstroms
sigma value = 27


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

Energy: 1.1745796205519583
Energy: 1.2968906129195648
Energy: 1.4322222018295618
Energy: 1.2968906129193274
Energy: 1.1745796205517207
Energy: 1.2968906129195648
Energy: 1.1637094953345863
Energy: 1.2757702331509684
Energy: 1.1894521115653718
Energy: 1.2757702331504928
Energy: 1.1637094953345863
Energy: 1.2757702331507303
Energy: 1.1895893398483908
Energy: 1.4647421496082778
Energy: 1.191168819435799
Energy: 1.4647421496080402
Energy: 1.1895893398486281
Energy: 1.4647421496075912
Energy: 1.1709379856769053
Energy: 1.2980128212729378
Energy: 1.1896781655032034
Energy: 1.2980128212727
Energy: 1.1709379856766677
Energy: 1.2980128212729378
Energy: 1.21367464015833
Energy: 1.2973532728756576
Energy: 1.1900130513593377
Energy: 1.2973532728758954
Energy: 1.2136746401581187
Energy: 1.2973532728758954
Energy: 1.1891378633621845
Energy: 1.4651130940097399
Energy: 1.188992081984123
Energy: 1.4651130940099777
Energy: 1.189137863362422
Energy: 1.4651130940097399
Energy: 1.189978790005351
Energy: 1.2782282815773889
Energy: 1.189376774028345
Energy: 1.2782282815771513
Energy: 1.1899787900049017
Energy: 1.2782282815769135
Energy: 1.17149158208074
Energy: 1.2973235127539542
Energy: 1.1895099509603682
Energy: 1.2973235127539542
Energy: 1.17149158208074
Energy: 1.2973235127539542
Energy: 1.1890991416244145
Energy: 1.2978185576088823
Energy: 1.1901405171746344
Energy: 1.2978185576086445
Energy: 1.1890991416248633
Energy: 1.2978185576088823
Energy: 1.1892026908252342
Energy: 1.4650072337021203
Energy: 1.1892033186425903
Energy: 1.4650072337021203
Energy: 1.1892026908252342
Energy: 1.4650072337021203
Energy: 1.1901541077495867
Energy: 1.29797181018729
Energy: 1.1891186230634063
Energy: 1.29797181018729
Energy: 1.1901541077495867
Energy: 1.29797181018729
Energy: 1.1895627329893657
Energy: 1.2973315235090077
Energy: 1.171552270565929
Energy: 1.2973315235090077
Energy: 1.1895627329886524
Energy: 1.2973315235090077

minimum gb energy = 1.1637094953345863 eV
minimum distance =  2.23385415264962 Angstroms
sigma value = 9


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

Energy: 1.592349921172122
Energy: 1.4794744350602596
Energy: 1.279535615947072
Energy: 1.4794744350609128
Energy: 1.5923499211727747
Energy: 1.4794744350609128
Energy: 1.336210024722505
Energy: 1.4146461427521635
Energy: 1.2969972764478856
Energy: 1.4146461427521635
Energy: 1.3362100247218518
Energy: 1.4146461427521635
Energy: 1.289952538164249
Energy: 1.4676387041773613
Energy: 1.2977267495160076
Energy: 1.4676387041780143
Energy: 1.289952538164249
Energy: 1.4676387041773613
Energy: 1.2595497688044492
Energy: 1.4375466291464216
Energy: 1.2286478175828794
Energy: 1.4375466291470747
Energy: 1.2595497688044492
Energy: 1.4375466291470747
Energy: 1.2577897832670268
Energy: 1.4363605084998814
Energy: 1.2291185386170922
Energy: 1.4363605084998814
Energy: 1.2577897832670268
Energy: 1.4363605084998814
Energy: 1.2382225257576402
Energy: 1.4037823302288421
Energy: 1.3003619265998227
Energy: 1.403782330228189
Energy: 1.2382225257582933
Energy: 1.4037823302288421
Energy: 1.3134323382469986
Energy: 1.4432696526053108
Energy: 1.2989662313678791
Energy: 1.4432696526053108
Energy: 1.3134323382476518
Energy: 1.4432696526053108
Energy: 1.423039638133876
Energy: 1.4375955902252588
Energy: 1.3115378081002378
Energy: 1.4375955902252588
Energy: 1.423039638133876
Energy: 1.4375955902252588
Energy: 1.3370152979430077
Energy: 1.392197106494713
Energy: 1.2970688183864902
Energy: 1.392197106494713
Energy: 1.3370152979436607
Energy: 1.392197106494713
Energy: 1.4204520085075985
Energy: 1.4682202287863895
Energy: 1.2575517110774503
Energy: 1.4682202287863895
Energy: 1.4204520085069454
Energy: 1.4682202287870423
Energy: 1.2980772316180658
Energy: 1.4229809601679395
Energy: 1.297121710802983
Energy: 1.4229809601672867
Energy: 1.2980772316180658
Energy: 1.4229809601672867
Energy: 1.3017971831685504
Energy: 1.4372920176028363
Energy: 1.2999450628017242
Energy: 1.4372920176028363
Energy: 1.3017971831685504
Energy: 1.4372920176028363
Energy: 1.2370245763199017
Energy: 1.3839542234696423
Energy: 1.2332946864786534
Energy: 1.3839542234696423
Energy: 1.2370245763199017
Energy: 1.3839542234696423
Energy: 1.3723296353591707
Energy: 1.4686334318676855
Energy: 1.232361596402962
Energy: 1.4686334318676855
Energy: 1.3723296353604766
Energy: 1.4686334318676855
Energy: 1.3044388891294032
Energy: 1.43945852461093
Energy: 1.29837059873975
Energy: 1.43945852461093
Energy: 1.3044388891287502
Energy: 1.43945852461093
Energy: 1.3207532871978436
Energy: 1.4242696427852948
Energy: 1.2992728815112153
Energy: 1.4242696427852948
Energy: 1.3207532871991496
Energy: 1.4242696427852948
Energy: 1.3081253772374002
Energy: 1.4695756626764946
Energy: 1.258053348790042
Energy: 1.4695756626764946
Energy: 1.3081253772374002
Energy: 1.4695756626764946
Energy: 1.2299129130907844
Energy: 1.3794772048100186
Energy: 1.306469230912529
Energy: 1.3794772048100186
Energy: 1.2299129130914375
Energy: 1.3794772048100186
Energy: 1.2997313364752756
Energy: 1.4714418922516213
Energy: 1.236643940046163
Energy: 1.4714418922522743
Energy: 1.2997313364746228
Energy: 1.4714418922522743
Energy: 1.2369379905062396
Energy: 1.512974376079108
Energy: 1.236895008804408
Energy: 1.5129743760797607
Energy: 1.2369379905075455
Energy: 1.5129743760797607
Energy: 1.2366471479580494
Energy: 1.4713262521215924
Energy: 1.3000558511449607
Energy: 1.4713262521209396
Energy: 1.2366471479587022
Energy: 1.4713262521209396
Energy: 1.3063722542902096
Energy: 1.3794799580286947
Energy: 1.229934450541507
Energy: 1.3794799580286947
Energy: 1.3063722542908627
Energy: 1.3794799580286947
Energy: 1.2580496281526614
Energy: 1.4693207006753166
Energy: 1.3081451396161172
Energy: 1.469320700676623
Energy: 1.2580496281526614
Energy: 1.469320700676623
Energy: 1.298976710805902
Energy: 1.4242538755817344
Energy: 1.3207362578031563
Energy: 1.4242538755823877
Energy: 1.298976710805902
Energy: 1.4242538755823877
Energy: 1.2987255755982503
Energy: 1.4394738832110208
Energy: 1.3044393448995564
Energy: 1.4394738832110208
Energy: 1.2987255755989031
Energy: 1.4394738832103677
Energy: 1.2323094313383036
Energy: 1.4687375364848483
Energy: 1.372272828387502
Energy: 1.4687375364848483
Energy: 1.2323094313376506
Energy: 1.4687375364848483
Energy: 1.233572064292416
Energy: 1.3838131164153675
Energy: 1.237004462783221
Energy: 1.3838131164153675
Energy: 1.233572064292416
Energy: 1.3838131164153675
Energy: 1.2996993760680315
Energy: 1.4372530100393661
Energy: 1.3018440206041242
Energy: 1.4372530100393661
Energy: 1.2996993760686846
Energy: 1.4372530100393661
Energy: 1.297139608129898
Energy: 1.4228485589045552
Energy: 1.2771267609893153
Energy: 1.422848558905208
Energy: 1.2971396081292448
Energy: 1.4228485589045552
Energy: 1.2575385922655997
Energy: 1.4682172775463562
Energy: 1.420461591287688
Energy: 1.4682172775463562
Energy: 1.2575385922655997
Energy: 1.468217277547009
Energy: 1.311017236738147
Energy: 1.392197106494713
Energy: 1.3372749891914535
Energy: 1.392197106494713
Energy: 1.311017236738147
Energy: 1.392197106494713
Energy: 1.3115815848782908
Energy: 1.437596264483794
Energy: 1.4230777279680376
Energy: 1.437596264483794
Energy: 1.3115815848782908
Energy: 1.437596264483794
Energy: 1.2982651999217347
Energy: 1.4431724804014452
Energy: 1.5344463885685216
Energy: 1.4431724804020982
Energy: 1.2982651999217347
Energy: 1.4431724804020982
Energy: 1.3003356898657128
Energy: 1.38249160851128
Energy: 1.2380316659587112
Energy: 1.382491608511933
Energy: 1.30033568986506
Energy: 1.382491608511933
Energy: 1.265562137100005
Energy: 1.4363291810778007
Energy: 1.2577919292166042
Energy: 1.436329181077148
Energy: 1.265562137100005
Energy: 1.436329181077148
Energy: 1.2285919444741862
Energy: 1.4375915274993236
Energy: 1.2595438562955115
Energy: 1.4375915274993236
Energy: 1.2285919444741862
Energy: 1.4375915274993236
Energy: 1.2976959009621554
Energy: 1.467610323316015
Energy: 1.2900301863749146
Energy: 1.467610323315362
Energy: 1.2976959009621554
Energy: 1.467610323315362
Energy: 1.2971286041079255
Energy: 1.4146461427534693
Energy: 1.3362267332331947
Energy: 1.4146461427528163
Energy: 1.2971286041079255
Energy: 1.4146461427528163
Energy: 1.314261360281167
Energy: 1.4794744350609128
Energy: 1.592349921172122
Energy: 1.4794744350609128
Energy: 1.3142613602818203
Energy: 1.4794744350602596
Energy: 1.2969972764478856
Energy: 1.4573814876155007
Energy: 1.336210024722505
Energy: 1.4573814876155007
Energy: 1.2969972764478856
Energy: 1.4573814876155007
Energy: 1.2977267495147018
Energy: 1.4676387041773613
Energy: 1.289952538163596
Energy: 1.4676387041767083
Energy: 1.2977267495147018
Energy: 1.4676387041767083
Energy: 1.2286478175822264
Energy: 1.4375466291464216
Energy: 1.2595497688051025
Energy: 1.4375466291464216
Energy: 1.2286478175828794
Energy: 1.4375466291470747
Energy: 1.2291185386170922
Energy: 1.4363605084998814
Energy: 1.2577897832670268
Energy: 1.4363605084998814
Energy: 1.2291185386170922
Energy: 1.4363605084998814

minimum gb energy = 1.2285919444741862 eV
minimum distance =  2.21201836633966 Angstroms
sigma value = 57


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

Energy: 1.3246355935523626
Energy: 1.4118105001631323
Energy: 1.31202924635223
Energy: 1.4118105001631323
Energy: 1.3246355935523626
Energy: 1.4118105001631323
Energy: 1.1131826932743594
Energy: 1.3814572716902085
Energy: 1.1395089827913454
Energy: 1.3814572716902085
Energy: 1.1131826932743594
Energy: 1.3814572716902085
Energy: 1.1083614269501778
Energy: 1.361711565601644
Energy: 1.139339454771978
Energy: 1.361711565601644
Energy: 1.1083614269501778
Energy: 1.361711565601644
Energy: 1.1386413698068467
Energy: 1.3701865210436628
Energy: 1.138733374522649
Energy: 1.3701865210436628
Energy: 1.1386413698068467
Energy: 1.3701865210436628
Energy: 1.1388267619763661
Energy: 1.412410140932444
Energy: 1.1387435060965028
Energy: 1.412410140932444
Energy: 1.1388267619763661
Energy: 1.412410140932444
Energy: 1.1394047343709568
Energy: 1.3618292011541013
Energy: 1.1063205920360224
Energy: 1.3618292011541013
Energy: 1.1394047343709568
Energy: 1.3618292011541013
Energy: 1.1393922915037484
Energy: 1.3618708089057214
Energy: 1.1062496799041261
Energy: 1.3618708089057214
Energy: 1.1393922915037484
Energy: 1.3618708089057214
Energy: 1.1388247439161125
Energy: 1.4123841477714674
Energy: 1.1387195560508132
Energy: 1.4123841477714674
Energy: 1.1388247439161125
Energy: 1.4123841477714674
Energy: 1.1386204619465594
Energy: 1.3701999351474883
Energy: 1.1386340283716327
Energy: 1.3701999351460017
Energy: 1.1386204619465594
Energy: 1.3701999351460017
Energy: 1.1083754168298863
Energy: 1.3617141619636821
Energy: 1.1390052082366746
Energy: 1.3617141619636821
Energy: 1.1083754168298863
Energy: 1.3617141619651687
Energy: 1.1131551228009748
Energy: 1.3814572716916949
Energy: 1.1394077434898444
Energy: 1.3814572716916949
Energy: 1.1131551227994885
Energy: 1.3814572716916949
Energy: 1.3246355935523626
Energy: 1.4118105001631323
Energy: 1.31202924635223
Energy: 1.4118105001631323
Energy: 1.3246355935523626
Energy: 1.4118105001631323
Energy: 1.1131826932743594
Energy: 1.3814572716902085
Energy: 1.2055255864506396
Energy: 1.3814572716902085
Energy: 1.1131826932743594
Energy: 1.3814572716902085
Energy: 1.1083614269501778
Energy: 1.361711565601644
Energy: 1.139339454771978
Energy: 1.361711565601644
Energy: 1.1083614269501778
Energy: 1.361711565601644
Energy: 1.1386413698068467
Energy: 1.3701865210436628
Energy: 1.138733374522649
Energy: 1.3701865210436628
Energy: 1.1386413698068467
Energy: 1.3701865210436628
Energy: 1.1388267619763661
Energy: 1.412410140932444
Energy: 1.2050619374962492
Energy: 1.412410140932444
Energy: 1.1388267619763661
Energy: 1.412410140932444
Energy: 1.1394047343709568
Energy: 1.3618292011541013
Energy: 1.1063205920360224
Energy: 1.3618292011541013
Energy: 1.1394047343709568
Energy: 1.3618292011541013
Energy: 1.1393922915037484
Energy: 1.3618708089057214
Energy: 1.1062496799041261
Energy: 1.3618708089057214
Energy: 1.1393922915037484
Energy: 1.3618708089057214
Energy: 1.1388247439161125
Energy: 1.4123841477714674
Energy: 1.1387195560508132
Energy: 1.4123841477714674
Energy: 1.1388247439161125
Energy: 1.4123841477714674

minimum gb energy = 1.1062496799041261 eV
minimum distance =  2.18937021318515 Angstroms
sigma value = 11


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

Energy: 1.1552122457447875
Energy: 1.339351616448947
Energy: 1.1479737076617604
Energy: 1.339351616448947
Energy: 1.1552122457447875
Energy: 1.339351616447858
Energy: 1.0225230749247067
Energy: 1.289757250999705
Energy: 1.020113987127999
Energy: 1.2897572510007937
Energy: 1.0225230749247067
Energy: 1.2897572510007937
Energy: 1.1519259243097846
Energy: 1.2779993768730096
Energy: 1.1021160795244815
Energy: 1.2779993768730096
Energy: 1.1519259243097846
Energy: 1.2779993768730096
Energy: 1.0291051087504168
Energy: 1.2695454097195829
Energy: 1.020290076902118
Energy: 1.2695454097195829
Energy: 1.0291051087504168
Energy: 1.269545409718494
Energy: 1.0207790320668564
Energy: 1.339082368823969
Energy: 1.0428965807174841
Energy: 1.3390823688228801
Energy: 1.0207790320668564
Energy: 1.3390823688228801
Energy: 1.0431885439810344
Energy: 1.3129028221963732
Energy: 1.019987264501166
Energy: 1.3129028221963732
Energy: 1.0431885439810344
Energy: 1.312902822197462
Energy: 1.042374652042686
Energy: 1.2781915562284087
Energy: 1.0202468472782908
Energy: 1.2781915562294976
Energy: 1.042374652042686
Energy: 1.2781915562294976
Energy: 1.0455116284387507
Energy: 1.340403547418705
Energy: 1.0312125330655304
Energy: 1.340403547418705
Energy: 1.0455116284376615
Energy: 1.340403547418705
Energy: 1.0460968127492647
Energy: 1.3391829139309046
Energy: 1.0221780051255236
Energy: 1.3391829139298157
Energy: 1.0460968127492647
Energy: 1.3391829139298157
Energy: 1.043315689911949
Energy: 1.278078056098228
Energy: 1.0201438651844161
Energy: 1.2780780560971394
Energy: 1.043315689911949
Energy: 1.278078056098228
Energy: 1.0422728824937297
Energy: 1.3117162380665537
Energy: 1.020120099201887
Energy: 1.3117162380654648
Energy: 1.0422728824937297
Energy: 1.3117162380665537
Energy: 1.0219624823635258
Energy: 1.3403935689698931
Energy: 1.020824510505674
Energy: 1.340393568970982
Energy: 1.0219624823635258
Energy: 1.340393568970982
Energy: 1.0433240282388192
Energy: 1.1794065222430634
Energy: 1.042588602453748
Energy: 1.1794065222430634
Energy: 1.043324028239908
Energy: 1.1794065222430634
Energy: 1.0207628037118726
Energy: 1.2780464508027094
Energy: 1.0425675497234317
Energy: 1.2780464508016205
Energy: 1.0207628037129612
Energy: 1.2780464508027094
Energy: 1.0228655069290078
Energy: 1.290824657229764
Energy: 1.019955233392877
Energy: 1.290824657229764
Energy: 1.0228655069290078
Energy: 1.290824657229764
Energy: 1.0322668443329643
Energy: 1.3406926070651262
Energy: 1.0465150349632428
Energy: 1.3406926070662148
Energy: 1.0322668443329643
Energy: 1.3406926070662148
Energy: 1.029607972172861
Energy: 1.2887748372717542
Energy: 1.042317348721075
Energy: 1.2887748372717542
Energy: 1.0296079721739497
Energy: 1.2887748372728434
Energy: 1.0214816304424734
Energy: 1.2780919630694438
Energy: 1.0676828009189505
Energy: 1.2780919630705327
Energy: 1.021481630443513
Energy: 1.2780919630705327
Energy: 1.029768773232611
Energy: 1.2690688637193948
Energy: 1.0200098143177172
Energy: 1.2690688637183059
Energy: 1.029768773232611
Energy: 1.2690688637183059
Energy: 1.0217669772340316
Energy: 1.3400507510429278
Energy: 1.0494717729709506
Energy: 1.3400507510418387
Energy: 1.0217669772329427
Energy: 1.3400507510418387
Energy: 1.1000421856778306
Energy: 1.316656115764994
Energy: 1.019882235840214
Energy: 1.316656115763905
Energy: 1.1000421856778306
Energy: 1.316656115763905
Energy: 1.0433458981366543
Energy: 1.2796036645251154
Energy: 1.02756219182843
Energy: 1.2796036645251154
Energy: 1.0433458981366543
Energy: 1.2796036645251154
Energy: 1.046024895613486
Energy: 1.3440973961267255
Energy: 1.0310743838349725
Energy: 1.3440973961256368
Energy: 1.0460248956167528
Energy: 1.3440973961256368
Energy: 1.022243054476196
Energy: 1.339787353716197
Energy: 1.0253818091204292
Energy: 1.3397873537151082
Energy: 1.022243054476196
Energy: 1.3397873537151082
Energy: 1.0464743592552146
Energy: 1.278717263369863
Energy: 1.0199309159943502
Energy: 1.278717263369863
Energy: 1.0464743592552146
Energy: 1.278717263369863
Energy: 1.0434776357106692
Energy: 1.312141333713218
Energy: 1.027000943698898
Energy: 1.312141333713218
Energy: 1.0434776357095803
Energy: 1.312141333713218

minimum gb energy = 1.019882235840214 eV
minimum distance =  2.23272280162591 Angstroms
sigma value = 41


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

Energy: 1.3715406241139694
Energy: 1.2823598235916152
Energy: 1.1134646215969215
Energy: 1.2823598235924731
Energy: 1.3715406241139694
Energy: 1.2823598235916152
Energy: 1.210927803473581
Energy: 1.1814848129267608
Energy: 0.9278450995262167
Energy: 1.1814848129267608
Energy: 1.210927803473581
Energy: 1.1814848129267608
Energy: 1.0142354820598036
Energy: 1.2291476438313922
Energy: 0.9585681624910943
Energy: 1.2291476438313922
Energy: 1.0142354820598036
Energy: 1.2291476438313922
Energy: 1.1747383106437732
Energy: 1.1561676055049261
Energy: 0.9280189690307477
Energy: 1.156167605504068
Energy: 1.1747383106446312
Energy: 1.156167605504068
Energy: 1.0210575623982323
Energy: 1.1542269612529772
Energy: 0.9574333385205743
Energy: 1.1542269612529772
Energy: 1.0210575623982323
Energy: 1.1542269612529772
Energy: 1.1866092137897128
Energy: 1.2211434434344972
Energy: 0.9277025244297513
Energy: 1.2211434434344972
Energy: 1.1866092137897128
Energy: 1.2211434434344972
Energy: 0.9290293981321573
Energy: 1.2285053298524515
Energy: 0.92840368429098
Energy: 1.2285053298533095
Energy: 0.9290293981321573
Energy: 1.2285053298524515
Energy: 1.0208497212810135
Energy: 1.2409618278011183
Energy: 0.9313800114411999
Energy: 1.2409618278011183
Energy: 1.0208497212818717
Energy: 1.2409618278011183
Energy: 0.9573734384020356
Energy: 0.9282986126689605
Energy: 1.1698716452808497
Energy: 0.9282986126689605
Energy: 0.9573734384020356
Energy: 0.9282986126681023
Energy: 1.195652949559926
Energy: 1.2295591559583254
Energy: 1.2239246384397262
Energy: 1.2295591559583254
Energy: 1.195652949559926
Energy: 1.2295591559583254
Energy: 1.1942631915028021
Energy: 1.2357780740495725
Energy: 1.224047576777252
Energy: 1.2357780740495725
Energy: 1.1942631915036601
Energy: 1.2357780740495725
Energy: 0.9595952022712503
Energy: 1.2408966241043506
Energy: 0.9316687395348645
Energy: 1.2408966241043506
Energy: 0.9595952022712503
Energy: 1.2408966241043506
Energy: 0.9571578355161054
Energy: 1.205668703672643
Energy: 1.1690317860220998
Energy: 1.2056687036717848
Energy: 0.9571578355152471
Energy: 1.2056687036717848
Energy: 0.9314549705957291
Energy: 1.2300234164761674
Energy: 0.9280850474591581
Energy: 1.2300234164761674
Energy: 0.9314549705957291
Energy: 1.2300234164761674
Energy: 1.1836667601169955
Energy: 1.2242209105400879
Energy: 0.9280247248597971
Energy: 1.2242209105400879
Energy: 1.183666760116137
Energy: 1.2242209105400879
Energy: 0.9285173178641511
Energy: 1.2408035024824244
Energy: 0.928531410764007
Energy: 1.2408035024815662
Energy: 0.9285173178641511
Energy: 1.2408035024815662
Energy: 0.930447143644801
Energy: 1.2326377553476997
Energy: 0.9574779834484928
Energy: 1.2326377553468417
Energy: 0.9304471436439427
Energy: 1.2326377553468417
Energy: 0.9329419647633237
Energy: 1.2302456822911696
Energy: 0.9575631749854443
Energy: 1.2302456822920278
Energy: 0.9329419647633237
Energy: 1.2302456822911696
Energy: 1.215717533711728
Energy: 1.1754324934009586
Energy: 0.9281613542582959
Energy: 1.1754324934009586
Energy: 1.215717533711728
Energy: 1.1754324934009586
Energy: 1.2239690991552175
Energy: 1.2405699085792643
Energy: 1.079917341713533
Energy: 1.2405699085801227
Energy: 1.2239690991560754
Energy: 1.2405699085792643
Energy: 1.1955296596444478
Energy: 1.1789593622726122
Energy: 0.9571980387386291
Energy: 1.1789593622726122
Energy: 1.1955296596444478
Energy: 1.1789593622726122
Energy: 0.9325815817212924
Energy: 1.2300714698538873
Energy: 0.995028333013105
Energy: 1.2300714698538873
Energy: 0.9325815817204341
Energy: 1.2300714698538873
Energy: 1.183858906570598
Energy: 1.1532950009914786
Energy: 0.928307647828497
Energy: 1.1532950009914786
Energy: 1.1838589065714564
Energy: 1.1532950009914786
Energy: 0.9284539087652486
Energy: 1.2059339839294434
Energy: 0.960367597152062
Energy: 1.2059339839294434
Energy: 0.9284539087661067
Energy: 1.2059339839294434
Energy: 0.9583462095754921
Energy: 1.2057933558556242
Energy: 0.9277829383456191
Energy: 1.2057933558564824
Energy: 0.9583462095763502
Energy: 1.2057933558564824
Energy: 0.9310948560415974
Energy: 1.151126511377592
Energy: 0.929082683392564
Energy: 1.151126511377592
Energy: 0.931094856040739
Energy: 1.151126511377592
Energy: 1.021896550424177
Energy: 1.2367625815709506
Energy: 0.9314596470975199
Energy: 1.2367625815709506
Energy: 1.0218965504250357
Energy: 1.2367625815709506
Energy: 0.9595949244758865
Energy: 1.2063314323097794
Energy: 1.1697962207442496
Energy: 1.2063314323097794
Energy: 0.9595949244758865
Energy: 1.2063314323097794
Energy: 1.0805615952829188
Energy: 1.228617369219635
Energy: 1.2243993811654084
Energy: 1.228617369219635
Energy: 1.0805615952829188
Energy: 1.228617369219635
Energy: 0.931441293873311
Energy: 0.9572890987990856
Energy: 1.2241884496260895
Energy: 0.9572890987973692
Energy: 0.9314412938741694
Energy: 0.9572890987982275
Energy: 0.9571888657579747
Energy: 1.2287225431143793
Energy: 0.9314776690969285
Energy: 1.2287225431143793
Energy: 0.9571888657579747
Energy: 1.2287225431143793
Energy: 0.9597889114417336
Energy: 1.2191782185970248
Energy: 1.1693311669231314
Energy: 1.219178218597883
Energy: 0.9597889114417336
Energy: 1.219178218597883
Energy: 0.9282947337360146
Energy: 1.2286119210838207
Energy: 0.9279094196308482
Energy: 1.2286119210846789
Energy: 0.9282947337360146
Energy: 1.2286119210846789

minimum gb energy = 0.9277025244297513 eV
minimum distance =  2.2159100306513 Angstroms
sigma value = 33


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

Energy: 1.1481131461854657
Energy: 1.0834039174102483
Energy: 0.9279868753444999
Energy: 1.0834039174102483
Energy: 1.1481131461854657
Energy: 1.0834039174102483
Energy: 1.5770071844533804
Energy: 0.8637366204056085
Energy: 0.8209279224237369
Energy: 0.8637366204056085
Energy: 1.5770071844539826
Energy: 0.8637366204050061
Energy: 1.126382637956883
Energy: 1.0940728423808392
Energy: 0.9130250588142984
Energy: 1.0940728423808392
Energy: 1.1263826379562805
Energy: 1.0940728423808392
Energy: 1.4353559420212114
Energy: 0.8357562865734842
Energy: 0.8206604904272415
Energy: 0.8357562865740865
Energy: 1.4353559420206092
Energy: 0.8357562865740865
Energy: 0.8822223243993167
Energy: 1.0863335692213218
Energy: 0.8395648461238691
Energy: 1.0863335692207197
Energy: 0.8822223243993167
Energy: 1.0863335692207197
Energy: 1.2867231552971694
Energy: 1.0553152614911034
Energy: 0.8206669945867789
Energy: 1.0553152614911034
Energy: 1.2867231552977714
Energy: 1.0553152614917054
Energy: 0.8740545070610247
Energy: 1.058911360860439
Energy: 0.8251682482830358
Energy: 1.0589113608610414
Energy: 0.8740545070604223
Energy: 1.058911360860439
Energy: 1.161794485645037
Energy: 0.8242290587260779
Energy: 0.8182078119717071
Energy: 0.8242290587254756
Energy: 1.161794485645037
Energy: 0.8242290587236687
Energy: 0.8198738148516137
Energy: 1.0860667210451649
Energy: 1.0172666818453244
Energy: 1.0860667210451649
Energy: 0.8198738148516137
Energy: 1.0860667210451649
Energy: 1.0069387322418046
Energy: 1.078845061715458
Energy: 1.0277545812244824
Energy: 1.078845061715458
Energy: 1.0069387322418046
Energy: 1.078845061715458
Energy: 0.8212477143637459
Energy: 1.060275986853876
Energy: 1.0279605167182682
Energy: 1.060275986853876
Energy: 0.8212477143637459
Energy: 1.060275986853876
Energy: 1.2980507954795713
Energy: 1.0966651857234326
Energy: 1.040654377955813
Energy: 1.0966651857234326
Energy: 1.2980507954795713
Energy: 1.0966651857228304
Energy: 1.0321022468701302
Energy: 1.0777465708680145
Energy: 1.2864655729181769
Energy: 1.077746570868617
Energy: 1.0321022468707324
Energy: 1.077746570868617
Energy: 1.0166481294757537
Energy: 1.0966388336024895
Energy: 1.2958191385955882
Energy: 1.0966388336036936
Energy: 1.0166481294757537
Energy: 1.0966388336036936
Energy: 1.0128779857173407
Energy: 1.060150040309323
Energy: 1.295679495311633
Energy: 1.060150040309323
Energy: 1.012877985717943
Energy: 1.060150040309323
Energy: 1.0346315047669012
Energy: 1.097143530203369
Energy: 1.0405166843807514
Energy: 1.0971435302027666
Energy: 1.0346315047675037
Energy: 1.0971435302027666
Energy: 1.032100059518828
Energy: 1.0775040725657854
Energy: 1.2864744315385739
Energy: 1.0775040725663878
Energy: 1.032100059518226
Energy: 1.0775040725663878
Energy: 0.8246722631654564
Energy: 1.096653796713425
Energy: 1.02772235194755
Energy: 1.096653796712823
Energy: 0.8246722631654564
Energy: 1.096653796712823
Energy: 1.0120813426668487
Energy: 1.0737076180209093
Energy: 1.0276950225911068
Energy: 1.0737076180209093
Energy: 1.0120813426680533
Energy: 1.0737076180203071
Energy: 0.8240440561408836
Energy: 1.0935794357599864
Energy: 0.8182461293663315
Energy: 1.093579435759384
Energy: 0.8240440561414858
Energy: 1.0935794357587818
Energy: 1.0321109006076654
Energy: 1.067760110399852
Energy: 1.0003731696843416
Energy: 1.067760110399852
Energy: 1.032110900607063
Energy: 1.067760110399852
Energy: 0.818480872470056
Energy: 1.0966900591856428
Energy: 0.8209786688443619
Energy: 1.0966900591862452
Energy: 0.818480872470056
Energy: 1.0966900591862452
Energy: 1.293017621886392
Energy: 1.0758905554911458
Energy: 0.8255044544713637
Energy: 1.0758905554911458
Energy: 1.293017621886994
Energy: 1.0758905554905436
Energy: 0.8278523775940148
Energy: 1.0934064793274554
Energy: 0.8210552865443014
Energy: 1.0934064793268532
Energy: 0.827852377594617
Energy: 1.0934064793268532
Energy: 1.2882512010135418
Energy: 1.0681517421221338
Energy: 1.0180000518195553
Energy: 1.0681517421227362
Energy: 1.288251201014144
Energy: 1.0681517421233384
Energy: 1.0403630502070003
Energy: 1.0967235454261401
Energy: 0.8355550621351444
Energy: 1.0967235454261401
Energy: 1.0403630502070003
Energy: 1.0967235454261401
Energy: 1.574702882239751
Energy: 0.8371842466675905
Energy: 0.825143242890415
Energy: 0.8371842466693973
Energy: 1.5747028822385467
Energy: 0.8371842466681926
Energy: 1.064788506268781
Energy: 1.0933362290541828
Energy: 1.012420970142886
Energy: 1.0933362290541828
Energy: 1.0647885062693832
Energy: 1.0933362290547848
Energy: 1.2895714197259833
Energy: 1.0622969927440422
Energy: 1.0344241780685555
Energy: 1.0622969927446446
Energy: 1.2895714197259833
Energy: 1.0622969927446446
Energy: 1.0404236683610073
Energy: 1.0964839489503473
Energy: 1.0346864797358764
Energy: 1.0964839489503473
Energy: 1.0404236683610073
Energy: 1.0964839489497449
Energy: 1.2923179569743664
Energy: 0.8363121511990129
Energy: 0.824772616453761
Energy: 0.8363121511990129
Energy: 1.2923179569743664
Energy: 0.8363121511996152
Energy: 0.8278572030956183
Energy: 1.0784211308973366
Energy: 0.9238490288051084
Energy: 1.0784211308973366
Energy: 0.8278572030962205
Energy: 1.0784211308967886
Energy: 1.160651731355395
Energy: 1.0549564993475211
Energy: 0.8241562145539739
Energy: 1.0549564993481235
Energy: 1.1606517313559974
Energy: 1.0549564993475211
Energy: 0.818363002035212
Energy: 1.0604510867357366
Energy: 1.0102483330763392
Energy: 1.0604510867351342
Energy: 0.8183630020364167
Energy: 1.0604510867357366
Energy: 1.009572319206406
Energy: 1.0604404310732516
Energy: 0.8183089371893976
Energy: 1.0604404310738542
Energy: 1.009572319206406
Energy: 1.0604404310738542
Energy: 0.8239864957058135
Energy: 1.0549451529029843
Energy: 1.1606484018058492
Energy: 1.0549451529035865
Energy: 0.8239864957064157
Energy: 1.0549451529035865
Energy: 0.9239167078300519
Energy: 1.078423523555957
Energy: 0.8278057530100349
Energy: 1.0784235235553543
Energy: 0.9239167078294496
Energy: 1.0784235235553543
Energy: 0.824755046659536
Energy: 0.836668506273747
Energy: 1.2925464934318573
Energy: 0.836668506273747
Energy: 0.8247550466589337
Energy: 0.836668506273747
Energy: 1.0346864797370812
Energy: 1.0964751341313386
Energy: 1.0403210996811427
Energy: 1.0964751341307366
Energy: 1.0346864797370812
Energy: 1.0964751341307366
Energy: 0.924518940453528
Energy: 1.0622678033790713
Energy: 1.289432948005534
Energy: 1.0622678033796735
Energy: 0.924518940453528
Energy: 1.0622678033790713
Energy: 1.0123763464434656
Energy: 1.0937436869066024
Energy: 1.0648869636505942
Energy: 1.0937436869066024
Energy: 1.0123763464434656
Energy: 1.0937436869072044
Energy: 0.8251527392250475
Energy: 0.836723207423212
Energy: 1.5744630549545797
Energy: 0.8367232074238145
Energy: 0.8251527392250475
Energy: 0.8367232074238145
Energy: 0.8361201691372141
Energy: 1.0967076075222468
Energy: 1.0403412975175552
Energy: 1.096707607522849
Energy: 0.8361201691372141
Energy: 1.096707607522849
Energy: 0.9246211589670377
Energy: 1.06810605693114
Energy: 1.2882059033522058
Energy: 1.06810605693114
Energy: 0.9246211589670377
Energy: 1.068106056931742
Energy: 0.8210947407314795
Energy: 1.0933611861295944
Energy: 0.8280095460977829
Energy: 1.0933611861295944
Energy: 0.8210947407320819
Energy: 1.0933611861295944
Energy: 0.8255420926013204
Energy: 1.075890555492953
Energy: 1.293067734495735
Energy: 1.075890555492953
Energy: 0.825542092600718
Energy: 1.075890555492953
Energy: 0.8204114154303077
Energy: 1.0966879006258854
Energy: 0.8184567543536898
Energy: 1.0966879006258854
Energy: 0.8204114154315123
Energy: 1.0966879006258854

minimum gb energy = 0.8182078119717071 eV
minimum distance =  2.25339659471648 Angstroms
sigma value = 67


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

Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 0.8340481710087262
Energy: 0.2504203227770359
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 0.25327660253311773
Energy: 0.7542844528702837
Energy: 0.5900780877347762
Energy: 0.7542844528698719
Energy: 0.2532766025335294
Energy: 0.7542844528698719
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 0.8340481710087262
Energy: 0.2504203227770359
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 0.25327660253270606
Energy: 0.7542844528698719
Energy: 0.5900780877343874
Energy: 0.7542844528698719
Energy: 0.25327660253311773
Energy: 0.7542844528698719
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 1.276943596465594
Energy: 0.2504203227770359
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 0.25327660253311773
Energy: 0.7542844528698719
Energy: 0.5900780877343874
Energy: 0.7542844528698719
Energy: 0.25327660253311773
Energy: 0.7542844528698719
Energy: 0.24984192377021747
Energy: 0.2504203227770359
Energy: 1.4345075962092395
Energy: 0.2504203227770359
Energy: 0.24984192377021747
Energy: 0.2504203227770359

minimum gb energy = 0.24984192377021747 eV
minimum distance =  2.42454521878995 Angstroms
sigma value = 3


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

Energy: 1.3342166290070008
Energy: 1.0845218492623296
Energy: 0.9475486148450015
Energy: 1.0845218492623296
Energy: 1.3342166290075483
Energy: 1.0845218492623296
Energy: 1.5190988194103876
Energy: 0.8236952919922889
Energy: 0.8090105052069988
Energy: 0.8236952919922889
Energy: 1.5190988194103876
Energy: 0.8236952919922889
Energy: 1.3317764836285357
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Energy: 1.039422731336883
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Energy: 0.9967188771499808
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Energy: 0.8047950250150426
Energy: 0.9791230543203305
Energy: 1.2446694830121718
Energy: 0.9791230543208784
Energy: 0.8047950250150426
Energy: 0.9791230543208784
Energy: 0.8048007049587391
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Energy: 1.0190261734106203
Energy: 1.0361181956954746
Energy: 0.8048007049581913
Energy: 1.0361181956954746
Energy: 0.815561364183265
Energy: 0.9948662965547739
Energy: 1.2480442398786982
Energy: 0.9948662965547739
Energy: 0.8155613641838126
Energy: 0.9948662965547739
Energy: 0.8069110470741391
Energy: 1.0636765828299548
Energy: 1.261953605502613
Energy: 1.0636765828299548
Energy: 0.8069110470735914
Energy: 1.0636765828299548
Energy: 0.8051613691277321
Energy: 0.8208845313677151
Energy: 1.3878099674049544
Energy: 0.820884531368263
Energy: 0.8051613691277321
Energy: 0.820884531368263
Energy: 0.814403682857074
Energy: 1.0826034269088323
Energy: 1.286589765154556
Energy: 1.0826034269088323
Energy: 0.814403682857074
Energy: 1.082603426908284
Energy: 0.8155938748062054
Energy: 0.8295153903980832
Energy: 1.4009705140449078
Energy: 0.8295153903980832
Energy: 0.8155938748062054
Energy: 0.829515390398631
Energy: 0.8260824789928745
Energy: 1.0631328114326137
Energy: 1.2618886660863902
Energy: 1.0631328114331617
Energy: 0.8260824789928745
Energy: 1.0631328114331617
Energy: 0.8048019842524582
Energy: 0.814985944946927
Energy: 1.387971268144906
Energy: 0.814985944946927
Energy: 0.8048019842530059
Energy: 0.814985944946927
Energy: 0.8145989551352977
Energy: 1.036164002922412
Energy: 1.056117205157158
Energy: 1.0361640029235075
Energy: 0.8145989551342021
Energy: 1.0361640029235075
Energy: 0.8190179822535748
Energy: 0.8113611647498176
Energy: 1.1329309362792748
Energy: 0.8113611647498176
Energy: 0.819017982253027
Energy: 0.8113611647503655
Energy: 1.0037020565939088
Energy: 1.0292616634336171
Energy: 1.0392666098794978
Energy: 1.0292616634341647
Energy: 1.003702056593361
Energy: 1.0292616634341647

minimum gb energy = 0.8043659762474388 eV
minimum distance =  2.25584752172991 Angstroms
sigma value = 81


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

Energy: 1.4038762407627527
Energy: 1.2412946272771066
Energy: 1.0406190592541573
Energy: 1.2412946272778584
Energy: 1.4038762407627527
Energy: 1.2412946272778584
Energy: 1.2756494381006427
Energy: 0.9159363844142528
Energy: 0.8957454741988864
Energy: 0.9159363844142528
Energy: 1.2756494381171832
Energy: 0.9159363844142528
Energy: 1.337761486823806
Energy: 1.2114614489141375
Energy: 1.1084721608378219
Energy: 1.2114614489141375
Energy: 1.3377614868245578
Energy: 1.2114614489141375
Energy: 1.2589388996342754
Energy: 0.8973491356827619
Energy: 0.9036159263390627
Energy: 0.8973491356820101
Energy: 1.2589388996342754
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Energy: 1.0197931273105805
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Energy: 1.0645347608372273
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Energy: 1.0197931273105805
Energy: 0.9016974913542454
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Energy: 1.151687665361225
Energy: 0.9791032551849693
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Energy: 1.1261575686516287
Energy: 1.151687665361225
Energy: 0.9872312408755152
Energy: 0.8960258203041223
Energy: 1.1337250232729827
Energy: 0.8960258203048741
Energy: 0.9872312408747633
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Energy: 1.0086485191913548
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Energy: 1.2365074456702034
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Energy: 0.9012991019395806
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Energy: 0.8924048712715041
Energy: 1.1191211162885941
Energy: 1.182049767688397
Energy: 1.1191211162885941
Energy: 0.8924048712715041
Energy: 1.1191211162885941
Energy: 0.9643478132402207
Energy: 1.2015621820831706
Energy: 1.2868303671192796
Energy: 1.2015621820839222
Energy: 0.9643478132409382
Energy: 1.2015621820839222
Energy: 0.9640385108742511
Energy: 1.11725592315599
Energy: 1.258710513977561
Energy: 1.1172559231567418
Energy: 0.9640385108742511
Energy: 1.1172559231567418
Energy: 0.9691615528229063
Energy: 1.2119221346899502
Energy: 1.0088890870177063
Energy: 1.211922134690702
Energy: 0.9691615528229063
Energy: 1.211922134690702
Energy: 0.968775609742456
Energy: 1.1517953954866884
Energy: 1.1731436131798172
Energy: 1.1517953954866884
Energy: 0.968775609741704
Energy: 1.1517953954874403
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Energy: 1.1885487796649798
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Energy: 1.1885487796664835
Energy: 1.2580845925740562
Energy: 1.200428485067472
Energy: 0.9653429037848793
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Energy: 1.2580845925740562
Energy: 1.2004284850682239
Energy: 1.284405982412469
Energy: 1.2122719762962695
Energy: 0.903682445006741
Energy: 1.212271976297773
Energy: 1.284405982412469
Energy: 1.212271976298525
Energy: 1.2843254819229177
Energy: 1.2020011257044472
Energy: 1.1125589153315987
Energy: 1.202001125705199
Energy: 1.2843254819221661
Energy: 1.202001125705199
Energy: 1.284917678373033
Energy: 1.1394077831818106
Energy: 0.898002857621588
Energy: 1.139407783183314
Energy: 1.2849176783737848
Energy: 1.139407783183314
Energy: 1.2847993796923116
Energy: 1.1832504373422745
Energy: 0.8970242448656572
Energy: 1.1832504373430266
Energy: 1.2847993796923116
Energy: 1.1832504373430266
Energy: 1.2843353072886383
Energy: 1.2022065680348948
Energy: 1.1259495003795166
Energy: 1.202206568037902
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Energy: 1.202206568037902
Energy: 1.284712188567234
Energy: 1.2121206879219482
Energy: 0.9064744993479169
Energy: 1.2121206879219482
Energy: 1.284712188567234
Energy: 1.2121206879226998
Energy: 1.2586606700992045
Energy: 1.2003328507948754
Energy: 0.9654261351320034
Energy: 1.2003328507956275
Energy: 1.2586606700999565
Energy: 1.2003328507956275
Energy: 1.2581271240815461
Energy: 1.1885407051708428
Energy: 0.979154590635172
Energy: 1.1885407051715946
Energy: 1.2581271240815461
Energy: 1.1885407051715946
Energy: 0.9688101047172876
Energy: 1.1515496763350437
Energy: 1.2589269587266783
Energy: 1.1515496763342918
Energy: 0.9688101047172876
Energy: 1.1515496763335398
Energy: 0.9692940995254329
Energy: 1.212029102759773
Energy: 1.008835608932703
Energy: 1.2120291027605248
Energy: 0.9692940995254329
Energy: 1.2120291027605248
Energy: 0.9640901488686597
Energy: 1.1172559231567418
Energy: 1.202172168584851
Energy: 1.1172559231574937
Energy: 0.9640901488686597
Energy: 1.1172559231574937
Energy: 0.9643465171787533
Energy: 1.1999860232774784
Energy: 1.286477666097422
Energy: 1.1999860232767263
Energy: 0.9643465171787533
Energy: 1.1999860232767263
Energy: 0.8924863783174178
Energy: 0.8988586186423533
Energy: 1.2583674848899489
Energy: 0.8988586186438569
Energy: 0.8924863783174178
Energy: 0.8988586186438569
Energy: 0.9014667570904301
Energy: 1.2117275846734565
Energy: 1.2368954293249688
Energy: 1.2117275846734565
Energy: 0.901466757091182
Energy: 1.2117275846734565
Energy: 0.8969322742294673
Energy: 0.8938172657021105
Energy: 1.1893738710479567
Energy: 0.8938172657028624
Energy: 0.8969322742294673
Energy: 0.8938172657021105
Energy: 0.9883185311383282
Energy: 1.2019266361030378
Energy: 1.2871784884411037
Energy: 1.2019266361030378
Energy: 0.9883185311383282
Energy: 1.2019266361030378
Energy: 0.9028145334149705
Energy: 0.8930130865106984
Energy: 1.2589974523453575
Energy: 0.8930130865099466
Energy: 0.9028145334149705
Energy: 0.8930130865099466
Energy: 0.9742438402211363
Energy: 1.153171738321204
Energy: 1.0086793942483752
Energy: 1.153171738320452
Energy: 0.9742438402211363
Energy: 1.153171738320452
Energy: 0.9871833467270221
Energy: 0.896623205283514
Energy: 1.1170507708864492
Energy: 0.8966232052850176
Energy: 0.9871833467270221
Energy: 0.896623205283514

minimum gb energy = 0.8924048712715041 eV
minimum distance =  2.27150124326063 Angstroms
sigma value = 43


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

Energy: 1.420094866416378
Energy: 1.3115588236796314
Energy: 1.1457482179201597
Energy: 1.3115588236796314
Energy: 1.420094866416378
Energy: 1.3115588236796314
Energy: 1.3068418844383713
Energy: 1.0053677115835982
Energy: 0.9547048302034052
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Energy: 1.3068418844383713
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Energy: 1.0184948124459985
Energy: 0.9533216077021941
Energy: 1.110212668916433
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Energy: 1.3090515960883078
Energy: 0.9535145356952307
Energy: 0.9544451301549886
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Energy: 1.3090515960892313
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Energy: 0.9685863552001742
Energy: 1.2626817373339267
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Energy: 0.9572553910388478
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Energy: 1.3510341402617045
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Energy: 0.969399162000403
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Energy: 0.9514888261900369
Energy: 0.9582949400325982
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Energy: 0.9509384313152157
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Energy: 1.2278522396766332
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Energy: 0.9509384313142921
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Energy: 0.9547876368865785
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Energy: 0.9541940583529328
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Energy: 0.9537172707204549
Energy: 1.245660445005871
Energy: 0.9571734576874316
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Energy: 0.9537172707204549
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Energy: 1.3067487861514437
Energy: 0.9548611653652289
Energy: 0.9549800129159981
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Energy: 1.3067487861514437
Energy: 0.9548611653652289
Energy: 1.3067881006047277
Energy: 1.2417285479709763
Energy: 1.23709647780221
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Energy: 1.3067881006047277
Energy: 1.2417285479709763
Energy: 1.354635446221547
Energy: 1.2978219060112453
Energy: 0.9544649833191635
Energy: 1.2978219060112453
Energy: 1.3546354462224703
Energy: 1.2978219060112453
Energy: 1.350631850383467
Energy: 1.2962275282675086
Energy: 0.9563799393866851
Energy: 1.296227528268432
Energy: 1.350631850383467
Energy: 1.296227528268432
Energy: 1.306752043726495
Energy: 1.301476298617119
Energy: 0.954594474562548
Energy: 1.301476298617119
Energy: 1.306752043726495
Energy: 1.301476298617119
Energy: 1.306734019231654
Energy: 1.3447033992155968
Energy: 0.9626592090282698
Energy: 1.34470339921652
Energy: 1.306734019231654
Energy: 1.34470339921652
Energy: 0.9544481365914462
Energy: 1.246273193112238
Energy: 0.954680744243752
Energy: 1.2462731931131614
Energy: 0.9544481365914462
Energy: 1.2462731931131614
Energy: 0.9542045544433628
Energy: 1.2964959204617579
Energy: 0.9543783388745073
Energy: 1.2964959204617579
Energy: 0.9542045544433628
Energy: 1.2964959204617579
Energy: 0.9513908061223433
Energy: 1.2856889335177015
Energy: 0.956920902500349
Energy: 1.2856889335177015
Energy: 0.9513908061223433
Energy: 1.2856889335177015
Energy: 0.9511579595098296
Energy: 1.3445287479834165
Energy: 1.010252375296315
Energy: 1.344528747982493
Energy: 0.9511579595098296
Energy: 1.3445287479834165
Energy: 0.9539090206567729
Energy: 1.2856778955190238
Energy: 1.3070621075289406
Energy: 1.2856778955199475
Energy: 0.9539090206567729
Energy: 1.2856778955199475
Energy: 0.951322701109948
Energy: 1.2963582835469114
Energy: 1.3515380893565279
Energy: 1.2963582835469114
Energy: 0.951322701109948
Energy: 1.2963582835469114
Energy: 0.9515466611246495
Energy: 1.2812002689419764
Energy: 1.1813426339350606
Energy: 1.2812002689419764
Energy: 0.9515466611246495
Energy: 1.2812002689419764
Energy: 1.0153334880043514
Energy: 1.2416752480085453
Energy: 1.011116983965753
Energy: 1.2416752480085453
Energy: 1.0153334880043514
Energy: 1.2416752480085453
Energy: 0.9539289260958906
Energy: 0.9544528734416841
Energy: 1.1306863073213602
Energy: 0.9544528734416841
Energy: 0.9539289260958906
Energy: 0.9544528734416841
Energy: 0.9610574300114323
Energy: 1.2462054056394465
Energy: 0.9541389035220122
Energy: 1.2462054056394465
Energy: 0.9610574300123557
Energy: 1.2462054056394465

minimum gb energy = 0.9509384313142921 eV
minimum distance =  2.21757864410063 Angstroms
sigma value = 57


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

Energy: 1.1220211529887312
Energy: 1.4166706457334268
Energy: 1.4399452251072025
Energy: 1.4166706457322307
Energy: 1.1220211529887312
Energy: 1.4166706457322307
Energy: 1.043890577479224
Energy: 1.0996307197909616
Energy: 1.0366977200295977
Energy: 1.0996307197909616
Energy: 1.043890577479224
Energy: 1.0996307197909616
Energy: 1.0413805246378844
Energy: 1.41312392138053
Energy: 1.1999659836668433
Energy: 1.41312392138053
Energy: 1.0413805246378844
Energy: 1.41312392138053
Energy: 1.039606602489162
Energy: 1.027021388661816
Energy: 1.0364526075633222
Energy: 1.0270213886606203
Energy: 1.039606602489162
Energy: 1.0270213886606203
Energy: 1.0337258022545643
Energy: 1.041183919452043
Energy: 1.0265321426584764
Energy: 1.041183919452043
Energy: 1.0337258022545643
Energy: 1.041183919452043
Energy: 1.0365092762417267
Energy: 1.4016666529925035
Energy: 1.0383786954902934
Energy: 1.4016666529925035
Energy: 1.0365092762417267
Energy: 1.4016666529925035
Energy: 1.0260321749170564
Energy: 1.232950514218812
Energy: 1.0360172812833155
Energy: 1.2329505142200077
Energy: 1.0260321749170564
Energy: 1.2329505142200077
Energy: 1.0354672599585424
Energy: 1.4037828096035718
Energy: 1.1211238115687452
Energy: 1.4037828096035718
Energy: 1.035467259959738
Energy: 1.4037828096035718
Energy: 1.0341439384438125
Energy: 1.0984288143780585
Energy: 1.025860778191468
Energy: 1.098428814376863
Energy: 1.0341439384438125
Energy: 1.098428814376863
Energy: 1.0276929198046871
Energy: 1.4018259434303597
Energy: 1.0387391429881512
Energy: 1.4018259434303597
Energy: 1.0276929198046871
Energy: 1.4018259434303597
Energy: 1.0259993950434116
Energy: 1.0263267000364822
Energy: 1.0347837691797916
Energy: 1.0263267000364822
Energy: 1.0259993950446071
Energy: 1.0263267000364822
Energy: 1.036600991750421
Energy: 1.234850784521899
Energy: 1.0368714455260895
Energy: 1.234850784521899
Energy: 1.036600991750421
Energy: 1.234850784521899
Energy: 1.0345012653347079
Energy: 1.4000553364889787
Energy: 1.1100216490592165
Energy: 1.4000553364889787
Energy: 1.0345012653347079
Energy: 1.4000553364889787
Energy: 1.0338522295914203
Energy: 1.2296646858839504
Energy: 1.030130378830362
Energy: 1.2296646858839504
Energy: 1.0338522295902244
Energy: 1.2296646858839504
Energy: 1.0357631016467412
Energy: 1.402938270629995
Energy: 1.0387752241657138
Energy: 1.4029382706287992
Energy: 1.0357631016479367
Energy: 1.4029382706287992
Energy: 1.0361378168497315
Energy: 1.4241559277965772
Energy: 1.037246837117033
Energy: 1.4241559277953817
Energy: 1.036137816848536
Energy: 1.4241559277953817
Energy: 1.0348965643777164
Energy: 1.2356267666819096
Energy: 1.0260722763040548
Energy: 1.2356267666819096
Energy: 1.0348965643777164
Energy: 1.2356267666807141
Energy: 1.027717037503418
Energy: 1.0565296432211784
Energy: 1.0277045993961795
Energy: 1.0565296432223743
Energy: 1.027717037503418
Energy: 1.0565296432211784
Energy: 1.0260747906190701
Energy: 1.2355197591456282
Energy: 1.0348985158490451
Energy: 1.2355197591456282
Energy: 1.0260747906190701
Energy: 1.2355197591456282
Energy: 1.0372274805568982
Energy: 1.4239426185025852
Energy: 1.0361350768780706
Energy: 1.4239426185025852
Energy: 1.0372274805568982
Energy: 1.4239426185025852
Energy: 1.0387326120707714
Energy: 1.4029359488819484
Energy: 1.0358978655742432
Energy: 1.4029359488819484
Energy: 1.0387326120707714
Energy: 1.4029359488819484
Energy: 1.0300962061519494
Energy: 1.2550841349947333
Energy: 1.0337649383314416
Energy: 1.2550841349935373
Energy: 1.0300962061519494
Energy: 1.2550841349935373
Energy: 1.0559458380984097
Energy: 1.4000608010217404
Energy: 1.0343989470028598
Energy: 1.4000608010205446
Energy: 1.0559458380984097
Energy: 1.4000608010205446
Energy: 1.0368216460525645
Energy: 1.2350032665265038
Energy: 1.0366071174493348
Energy: 1.235003266525308
Energy: 1.0368216460525645
Energy: 1.2350032665265038

minimum gb energy = 1.025860778191468 eV
minimum distance =  2.22059182877432 Angstroms
sigma value = 17


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

Energy: 1.1245973901661372
Energy: 1.1227117880314708
Energy: 1.62778457734583
Energy: 1.1227117880314708
Energy: 1.1245973901661372
Energy: 1.1227117880314708
Energy: 1.0967349689579629
Energy: 1.1023713386086476
Energy: 1.102954938576655
Energy: 1.1023713386086476
Energy: 1.0967349689579629
Energy: 1.1023713386086476
Energy: 1.1020499538357904
Energy: 1.1021133562665988
Energy: 1.1100159614823206
Energy: 1.1021133562665988
Energy: 1.1020499538357904
Energy: 1.1021133562665988
Energy: 1.111174167705947
Energy: 1.1014673454143535
Energy: 1.1013527350737131
Energy: 1.1014673454143535
Energy: 1.111174167705947
Energy: 1.1014673454143535
Energy: 1.1016885792095346
Energy: 1.1019315167972965
Energy: 1.1024945911855641
Energy: 1.1019315167972965
Energy: 1.1016885792095346
Energy: 1.1019315167972965
Energy: 1.1027511108226453
Energy: 1.123349810861773
Energy: 1.1252560554813253
Energy: 1.123349810861773
Energy: 1.1027511108226453
Energy: 1.123349810861773
Energy: 1.1059413793450383
Energy: 1.2544276856081076
Energy: 1.1150235869037932
Energy: 1.2544276856081076
Energy: 1.1059413793450383
Energy: 1.2544276856081076
Energy: 1.1028031537310596
Energy: 1.4062429321288612
Energy: 1.1014462255729893
Energy: 1.4062429321288612
Energy: 1.1028031537310596
Energy: 1.406242932130552
Energy: 1.101642386480337
Energy: 1.1015867624095097
Energy: 1.2541416947644148
Energy: 1.1015867624095097
Energy: 1.101642386480337
Energy: 1.1015867624095097
Energy: 1.1232722939640603
Energy: 1.092536492569251
Energy: 1.1030339350529632
Energy: 1.092536492569251
Energy: 1.1232722939640603
Energy: 1.092536492569251
Energy: 1.128365806891309
Energy: 1.1033082198640782
Energy: 1.101774305267842
Energy: 1.1033082198640782
Energy: 1.128365806891309
Energy: 1.1033082198640782
Energy: 1.1015705810069925
Energy: 1.1044733165176408
Energy: 1.1082603491431438
Energy: 1.104473316519332
Energy: 1.1015705810086835
Energy: 1.1044733165176408
Energy: 1.1018312758179216
Energy: 1.261409827286712
Energy: 1.1019442926614498
Energy: 1.261409827286712
Energy: 1.1018312758179216
Energy: 1.261409827286712
Energy: 1.1037652096062447
Energy: 1.1026475079450881
Energy: 1.1045318290008022
Energy: 1.1026475079450881
Energy: 1.1037652096062447
Energy: 1.1026475079450881
Energy: 1.1063001681450302
Energy: 1.2138240458060479
Energy: 1.1231430059901022
Energy: 1.213824045807739
Energy: 1.1063001681450302
Energy: 1.213824045807739
Energy: 1.1077143328135517
Energy: 1.1038163614475642
Energy: 1.124345387549808
Energy: 1.1038163614475642
Energy: 1.1077143328152423
Energy: 1.1038163614475642
Energy: 1.1022888659353218
Energy: 1.1042793907818798
Energy: 1.1018013491433494
Energy: 1.1042793907818798
Energy: 1.1022888659353218
Energy: 1.1042793907818798

minimum gb energy = 1.092536492569251 eV
minimum distance =  2.25082761852342 Angstroms
sigma value = 17


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

Energy: 1.6336192819002855
Energy: 1.627082419114096
Energy: 1.2365975990014715
Energy: 1.627082419114096
Energy: 1.6336192819002855
Energy: 1.627082419114096
Energy: 1.3733786205074254
Energy: 1.1047885334457015
Energy: 1.0966168312333662
Energy: 1.1047885334457015
Energy: 1.3733786205080785
Energy: 1.1047885334457015
Energy: 1.1062458484898137
Energy: 1.1891319018947826
Energy: 1.3438844967687953
Energy: 1.1891319018947826
Energy: 1.1062458484898137
Energy: 1.1891319018947826
Energy: 1.1040648621864804
Energy: 1.0934435798588904
Energy: 1.2031740662852355
Energy: 1.0934435798595434
Energy: 1.1040648621871334
Energy: 1.0934435798595434
Energy: 1.0966952666146363
Energy: 1.1359498921255733
Energy: 1.402326080564121
Energy: 1.1359498921255733
Energy: 1.0966952666152896
Energy: 1.1359498921249203
Energy: 1.1959076411445226
Energy: 1.1046163124972834
Energy: 1.2350865487075908
Energy: 1.1046163124966304
Energy: 1.1959076411451757
Energy: 1.1046163124979365
Energy: 1.0974994131330338
Energy: 1.2043763838922497
Energy: 1.3710071442136282
Energy: 1.2043763838922497
Energy: 1.0974994131330338
Energy: 1.2043763838915966
Energy: 1.3516078678145316
Energy: 1.0947761559038054
Energy: 1.0953839457507186
Energy: 1.0947761559038054
Energy: 1.3516078678151846
Energy: 1.0947761559038054
Energy: 1.2374005230801512
Energy: 1.1043783284162474
Energy: 1.1076714778090087
Energy: 1.1043783284162474
Energy: 1.2374005230801512
Energy: 1.1043783284169006
Energy: 1.3442049665530316
Energy: 1.1349687394121983
Energy: 1.0982208605725914
Energy: 1.1349687394121983
Energy: 1.3442049665536846
Energy: 1.1349687394121983
Energy: 1.2056555097656092
Energy: 1.345584371428601
Energy: 1.1937890442711223
Energy: 1.345584371428601
Energy: 1.2056555097656092
Energy: 1.345584371428601
Energy: 1.1031968571689863
Energy: 1.1037837724130657
Energy: 1.1138806244530244
Energy: 1.1037837724117596
Energy: 1.1031968571689863
Energy: 1.1037837724117596
Energy: 1.0994119507722067
Energy: 1.0972339267642033
Energy: 1.5720570555748459
Energy: 1.0972339267635505
Energy: 1.09941195077286
Energy: 1.0972339267635505
Energy: 1.1064208463012455
Energy: 1.3805954148858521
Energy: 1.5709353592266366
Energy: 1.3805954148865052
Energy: 1.1064208463012455
Energy: 1.3805954148865052
Energy: 1.1111646670531787
Energy: 1.5292945243686975
Energy: 1.19403655529956
Energy: 1.5292945243686975
Energy: 1.1111646670531787
Energy: 1.5292945243686975
Energy: 1.2031781646073128
Energy: 1.4405444666065743
Energy: 1.114387524234678
Energy: 1.4405444666072271
Energy: 1.2031781646066595
Energy: 1.4405444666072271
Energy: 1.2151431484001105
Energy: 1.0929289929747337
Energy: 1.100410401936389
Energy: 1.0929289929747337
Energy: 1.2151431484001105
Energy: 1.0929289929753865
Energy: 1.5478434275078101
Energy: 1.38226315088285
Energy: 1.1126049331446715
Energy: 1.38226315088285
Energy: 1.547843427507157
Energy: 1.38226315088285
Energy: 1.5468748498673053
Energy: 1.3444604862778682
Energy: 1.1022294521468674
Energy: 1.3444604862772154
Energy: 1.5468748498673053
Energy: 1.3444604862778682
Energy: 1.0975725107212664
Energy: 1.1519421540806232
Energy: 1.0975862554422688
Energy: 1.1519421540799701
Energy: 1.0975725107212664
Energy: 1.1519421540799701
Energy: 1.1022054285985166
Energy: 1.3445190740660604
Energy: 1.3905286688963174
Energy: 1.3445190740654076
Energy: 1.1022054285985166
Energy: 1.3445190740654076
Energy: 1.11259911834555
Energy: 1.382269839187008
Energy: 1.547855640068228
Energy: 1.3822698391876609
Energy: 1.11259911834555
Energy: 1.3822698391876609
Energy: 1.1128419008642818
Energy: 1.0930402934899888
Energy: 1.203074891869344
Energy: 1.0930402934899888
Energy: 1.1128419008636288
Energy: 1.0930402934899888
Energy: 1.1144229073119354
Energy: 1.3346496610964773
Energy: 1.2030702500099728
Energy: 1.3346496610958243
Energy: 1.1144229073125882
Energy: 1.3346496610958243
Energy: 1.1940599803662448
Energy: 1.529204185207826
Energy: 1.102616313267422
Energy: 1.529204185207826
Energy: 1.1940599803655918
Energy: 1.529204185207826
Energy: 1.5708675529103062
Energy: 1.3806166798901154
Energy: 1.1064430566659496
Energy: 1.3806166798894626
Energy: 1.5708675529103062
Energy: 1.3806166798894626
Energy: 1.5720428451944712
Energy: 1.0970545688518873
Energy: 1.0996411802306414
Energy: 1.0970545688525404
Energy: 1.5720428451944712
Energy: 1.0970545688525404
Energy: 1.1138905149330693
Energy: 1.1037175911423376
Energy: 1.1032361690128656
Energy: 1.1037175911410315
Energy: 1.1138905149337224
Energy: 1.1037175911416843
Energy: 1.1897867242464797
Energy: 1.345569725521802
Energy: 1.205657499380342
Energy: 1.345569725521802
Energy: 1.1897867242464797
Energy: 1.345569725521802
Energy: 1.098239684048104
Energy: 1.1349687394121983
Energy: 1.344231294501877
Energy: 1.1349687394128516
Energy: 1.098239684048757
Energy: 1.1349687394128516
Energy: 1.1076452920880118
Energy: 1.1042638407393839
Energy: 1.2373776333801745
Energy: 1.1042638407387309
Energy: 1.1076452920886646
Energy: 1.1042638407393839
Energy: 1.095389946441926
Energy: 1.0948151990229318
Energy: 1.3518471428372152
Energy: 1.0948151990222788
Energy: 1.095389946441926
Energy: 1.0948151990222788
Energy: 1.3710555796210953
Energy: 1.2043807057951186
Energy: 1.0975065344089072
Energy: 1.2043807057951186
Energy: 1.3710555796210953
Energy: 1.2043807057951186
Energy: 1.2350747039661292
Energy: 1.1045273105492153
Energy: 1.1959156910649622
Energy: 1.1045273105492153
Energy: 1.2350747039661292
Energy: 1.1045273105492153
Energy: 1.4023592821922726
Energy: 1.135949892126226
Energy: 1.096693157458919
Energy: 1.135949892126226
Energy: 1.4023592821916198
Energy: 1.1359498921255733
Energy: 1.2033495751821257
Energy: 1.0934270125845897
Energy: 1.1040735590802644
Energy: 1.0934270125845897
Energy: 1.2033495751821257
Energy: 1.093427012583937
Energy: 1.3438538574726848
Energy: 1.188982165683518
Energy: 1.1062491567628387
Energy: 1.188982165683518
Energy: 1.3438538574720318
Energy: 1.188982165683518
Energy: 1.096622317798308
Energy: 1.1046459369701953
Energy: 1.3711798380628757
Energy: 1.1046459369701953
Energy: 1.096622317798961
Energy: 1.1046459369701953
Energy: 1.3643511369930998
Energy: 1.6270824191147488
Energy: 1.6336192819002855
Energy: 1.6270824191147488
Energy: 1.364351136992447
Energy: 1.6270824191147488
Energy: 1.096616831234019
Energy: 1.1047885334450482
Energy: 1.3733786205074254
Energy: 1.1047885334457015
Energy: 1.096616831234019
Energy: 1.1047885334457015
Energy: 1.3438844967687953
Energy: 1.1891319018954356
Energy: 1.1062458484904667
Energy: 1.1891319018947826
Energy: 1.3438844967681425
Energy: 1.1891319018947826
Energy: 1.2031740662845825
Energy: 1.0934435798582376
Energy: 1.1040648621858276
Energy: 1.0934435798588904
Energy: 1.2031740662845825
Energy: 1.0934435798575843
Energy: 1.4023260805647737
Energy: 1.1359498921249203
Energy: 1.0966952666152896
Energy: 1.1359498921249203
Energy: 1.4023260805647737
Energy: 1.1359498921249203

minimum gb energy = 1.0929289929747337 eV
minimum distance =  2.23514953874085 Angstroms
sigma value = 57


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

Energy: 1.2574526698438202
Energy: 1.0740313263224799
Energy: 1.6174674433086624
Energy: 1.0740313263246062
Energy: 1.2574526698438202
Energy: 1.0740313263235428
Energy: 1.1831109157771973
Energy: 1.0769229640062268
Energy: 1.0771640693540927
Energy: 1.0769229640062268
Energy: 1.1831109157771973
Energy: 1.0769229640072897
Energy: 1.0736961112055317
Energy: 1.2167363765007302
Energy: 1.0794399367339098
Energy: 1.2167363765017936
Energy: 1.0736961112055317
Energy: 1.2167363765017936
Energy: 1.2640954295501934
Energy: 1.2161806501076593
Energy: 1.21650458245993
Energy: 1.2161806501065962
Energy: 1.2640954295501934
Energy: 1.2161806501065962
Energy: 1.0766553492851907
Energy: 1.1268460416219548
Energy: 1.2553973786272656
Energy: 1.1268460416208916
Energy: 1.0766553492851907
Energy: 1.1268460416208916
Energy: 1.2233417884760347
Energy: 1.2158779475464667
Energy: 1.2164652596408723
Energy: 1.21587794754753
Energy: 1.2233417884760347
Energy: 1.21587794754753
Energy: 1.0765153540262442
Energy: 1.223000801912205
Energy: 1.0851628827914832
Energy: 1.2230008019111418
Energy: 1.0765153540262442
Energy: 1.2230008019111418
Energy: 1.083932806819925
Energy: 1.1355454344170743
Energy: 1.07713005995419
Energy: 1.1355454344170743
Energy: 1.083932806820988
Energy: 1.1355454344170743
Energy: 1.2601144765609409
Energy: 1.5980854635049342
Energy: 1.0867585371795234
Energy: 1.5980854635049342
Energy: 1.2601144765609409
Energy: 1.5980854635049342
Energy: 1.166995495150507
Energy: 1.077165790555507
Energy: 1.0824778257357839
Energy: 1.0771657905576335
Energy: 1.166995495150507
Energy: 1.0771657905576335
Energy: 1.0766890082582057
Energy: 1.079156947767414
Energy: 1.217139248690938
Energy: 1.079156947767414
Energy: 1.0766890082582057
Energy: 1.079156947766351
Energy: 1.1316764528425125
Energy: 1.2177676385974987
Energy: 1.2214051907284031
Energy: 1.2177676386006882
Energy: 1.131676452844639
Energy: 1.2177676386006882
Energy: 1.0818901902710936
Energy: 1.2103941578881852
Energy: 1.2170178854778653
Energy: 1.2103941578860589
Energy: 1.0818901902710936
Energy: 1.2103941578860589
Energy: 1.22234285408033
Energy: 1.2639135390923613
Energy: 1.2213071788910899
Energy: 1.263913539094488
Energy: 1.2223428540813934
Energy: 1.263913539094488
Energy: 1.0847444637842283
Energy: 1.218505462406409
Energy: 1.0872739753961278
Energy: 1.218505462406409
Energy: 1.0847444637842283
Energy: 1.218505462406409
Energy: 1.0744961615070237
Energy: 1.1535349043862773
Energy: 1.0822108886282198
Energy: 1.1535349044638452
Energy: 1.0744961615070237
Energy: 1.1535349044968055
Energy: 1.2682846163500017
Energy: 1.4373480937498788
Energy: 1.089043423425471
Energy: 1.437348093748816
Energy: 1.2682846163500017
Energy: 1.437348093748816
Energy: 1.2224733025579688
Energy: 1.2130382592976712
Energy: 1.0854553435788372
Energy: 1.2130382592976712
Energy: 1.2224733025569057
Energy: 1.213038259298734
Energy: 1.0851873933096237
Energy: 1.0764994309844844
Energy: 1.2164968510932122
Energy: 1.0764994309844844
Energy: 1.0851873933096237
Energy: 1.0764994309823581
Energy: 1.2160907368177303
Energy: 1.2111022504502726
Energy: 1.229988531437361
Energy: 1.2111022504502726
Energy: 1.216090736816667
Energy: 1.211102250451336
Energy: 1.0829156243620868
Energy: 1.2112976412425238
Energy: 1.2165294873507082
Energy: 1.211297641241509
Energy: 1.0829156243631501
Energy: 1.211297641241509
Energy: 1.0816001749239772
Energy: 1.0760625371541377
Energy: 1.2272099192275459
Energy: 1.0760625371552008
Energy: 1.0816001749250403
Energy: 1.0760625371541377
Energy: 1.0865560418384137
Energy: 1.2123871389841452
Energy: 1.0841595075318218
Energy: 1.2123871389841452
Energy: 1.0865560418384137
Energy: 1.2123871389841452
Energy: 1.2570818878563195
Energy: 1.435758692713484
Energy: 1.0846412987751146
Energy: 1.435758692710294
Energy: 1.2570818878563195
Energy: 1.435758692710294
Energy: 1.2574278411395494
Energy: 1.4355092568465397
Energy: 1.0804785305478606
Energy: 1.4355092568454766
Energy: 1.2574278411384863
Energy: 1.4355092568454766
Energy: 1.0816563533735968
Energy: 1.2184877795933122
Energy: 1.0821784190953236
Energy: 1.2184877795954387
Energy: 1.0816563533735968
Energy: 1.2184877795954387
Energy: 1.0872039397703008
Energy: 1.0755654367258325
Energy: 1.2255319244840805
Energy: 1.0755654367279592
Energy: 1.0872039397713642
Energy: 1.0755654367279592

minimum gb energy = 1.0736961112055317 eV
minimum distance =  2.28451631623069 Angstroms
sigma value = 43


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

Energy: 1.3174834870117023
Energy: 1.1452589854518098
Energy: 1.2913062084972387
Energy: 1.1452589854525843
Energy: 1.3174834870117023
Energy: 1.1452589854518098
Energy: 1.1671471291351234
Energy: 1.1288066560889973
Energy: 1.1194847076798424
Energy: 1.1288066560882228
Energy: 1.1671471291351234
Energy: 1.1288066560882228
Energy: 1.1187885923793632
Energy: 1.2465804323637186
Energy: 1.1194131600000943
Energy: 1.246580432362944
Energy: 1.1187885923785885
Energy: 1.246580432362944
Energy: 1.2904989005068874
Energy: 1.1187479678644272
Energy: 1.2588652472761275
Energy: 1.1187479678644272
Energy: 1.2904989005068874
Energy: 1.1187479678636527
Energy: 1.1197864084643256
Energy: 1.175393737088323
Energy: 1.2223929503134796
Energy: 1.175393737088323
Energy: 1.1197864084643256
Energy: 1.175393737088323
Energy: 1.2305307174654936
Energy: 1.23440963721731
Energy: 1.145736727052334
Energy: 1.23440963721731
Energy: 1.2305307174654936
Energy: 1.23440963721731
Energy: 1.1472517941264224
Energy: 1.2349309929556456
Energy: 1.1291169605864035
Energy: 1.2349309929564203
Energy: 1.1472517941264224
Energy: 1.2349309929556456
Energy: 1.249545347954805
Energy: 1.1754966672425609
Energy: 1.1195902121845458
Energy: 1.1754966672425609
Energy: 1.249545347954805
Energy: 1.1754966672425609
Energy: 1.2603257617532597
Energy: 1.1187664603042902
Energy: 1.242892291980932
Energy: 1.1187664603042902
Energy: 1.2603257617532597
Energy: 1.1187664603042902
Energy: 1.3477430227386717
Energy: 1.2478774701337594
Energy: 1.1235200601556359
Energy: 1.2478774701345339
Energy: 1.3477430227386717
Energy: 1.2478774701345339
Energy: 1.121272489693533
Energy: 1.1777870111963946
Energy: 1.4816830690300022
Energy: 1.1777870111963946
Energy: 1.121272489693533
Energy: 1.1777870111963946
Energy: 1.1294037706160478
Energy: 1.1451292015336159
Energy: 1.321747298622013
Energy: 1.1451292015328411
Energy: 1.1294037706160478
Energy: 1.1451292015328411
Energy: 1.1191352526435052
Energy: 1.1294763874653486
Energy: 1.24288734843864
Energy: 1.1294763874653486
Energy: 1.1191352526435052
Energy: 1.1294763874653486
Energy: 1.2579460732856769
Energy: 1.1183198688496274
Energy: 1.1231843166087947
Energy: 1.1183198688488527
Energy: 1.2579460732856769
Energy: 1.1183198688488527
Energy: 1.2582251301049754
Energy: 1.1193547662648269
Energy: 1.1295099359923697
Energy: 1.1193547662656016
Energy: 1.2582251301049754
Energy: 1.1193547662656016
Energy: 1.2354136152301753
Energy: 1.244237692801039
Energy: 1.1176681899371086
Energy: 1.244237692801039
Energy: 1.2354136152309498
Energy: 1.244237692801039
Energy: 1.1448519334833582
Energy: 1.144552027744688
Energy: 1.2356753802156537
Energy: 1.1445520277439132
Energy: 1.1448519334825833
Energy: 1.144552027744688
Energy: 1.1284073270853536
Energy: 1.2338711387318761
Energy: 1.1445440508736406
Energy: 1.2338711387318761
Energy: 1.1284073270845791
Energy: 1.2338711387318761
Energy: 1.128048645715236
Energy: 1.1301747207639088
Energy: 1.258222483511261
Energy: 1.1301747207646835
Energy: 1.1280486457160108
Energy: 1.1301747207646835
Energy: 1.1185189727098988
Energy: 1.2599943613806335
Energy: 1.2582222883825414
Energy: 1.2599943613806335
Energy: 1.1185189727106732
Energy: 1.2599943613806335
Energy: 1.1213582624611285
Energy: 1.2468257895505641
Energy: 1.1286175238351974
Energy: 1.2468257895505641
Energy: 1.1213582624603537
Energy: 1.2468257895505641
Energy: 1.6321132735160728
Energy: 1.1272606445310522
Energy: 1.1196066295973766
Energy: 1.1272606445318265
Energy: 1.6321132735160728
Energy: 1.1272606445310522
Energy: 1.722528357645904
Energy: 1.1188647203899347
Energy: 1.1287713356347187
Energy: 1.1188647203907092
Energy: 1.722528357645904
Energy: 1.1188647203876105
Energy: 1.1187421166883382
Energy: 1.245501440980364
Energy: 1.128546284050702
Energy: 1.245501440980364
Energy: 1.1187421166883382
Energy: 1.245501440980364
Energy: 1.1219336851779866
Energy: 1.2591316839741402
Energy: 1.2584287517963193
Energy: 1.2591316839741402
Energy: 1.1219336851779866
Energy: 1.2591316839710414
Energy: 1.1278319358568665
Energy: 1.2850423671548847
Energy: 1.2585731043077732
Energy: 1.2850423671541102
Energy: 1.127831935857641
Energy: 1.2850423671541102
Energy: 1.1287814515192998
Energy: 1.244304977793329
Energy: 1.2350125649927293
Energy: 1.244304977793329
Energy: 1.1287814515192998
Energy: 1.244304977793329
Energy: 1.2350650441066604
Energy: 1.614100554167895
Energy: 1.2352249112847085
Energy: 1.614100554167895
Energy: 1.235065044105886
Energy: 1.614100554167895
Energy: 1.2350589117831778
Energy: 1.2442554114479194
Energy: 1.1242928260736464
Energy: 1.2442554114479194
Energy: 1.2350589117839523
Energy: 1.2442554114479194
Energy: 1.25830490837232
Energy: 1.2848960676350027
Energy: 1.1278365369228367
Energy: 1.2848960676350027
Energy: 1.2583049083715452
Energy: 1.2848960676357772
Energy: 1.2586496801151543
Energy: 1.259188617943212
Energy: 1.1215970979799414
Energy: 1.259188617943212
Energy: 1.2586496801151543
Energy: 1.2591886179424374
Energy: 1.1285874807099499
Energy: 1.2453171411934831
Energy: 1.1187326960179136
Energy: 1.2453171411934831
Energy: 1.1285874807107246
Energy: 1.2453171411934831
Energy: 1.1287502969449816
Energy: 1.1187745907385118
Energy: 1.6240582240337302
Energy: 1.1187745907377369
Energy: 1.1287502969434322
Energy: 1.1187745907377369
Energy: 1.119610708112164
Energy: 1.1273504602597908
Energy: 1.6319761942700741
Energy: 1.1273504602590165
Energy: 1.119610708112164
Energy: 1.1273504602590165
Energy: 1.128606292916399
Energy: 1.2473912135948388
Energy: 1.1214652916748005
Energy: 1.2473912135940646
Energy: 1.128606292915624
Energy: 1.2473912135940646
Energy: 1.2582236746394495
Energy: 1.2596446237683225
Energy: 1.1187100795570983
Energy: 1.2596446237683225
Energy: 1.2582236746394495
Energy: 1.2596446237690975

minimum gb energy = 1.1176681899371086 eV
minimum distance =  2.25603397811031 Angstroms
sigma value = 81


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

Energy: 1.138540589457259
Energy: 1.1391747524981084
Energy: 1.2785285576732324
Energy: 1.1391747524981084
Energy: 1.138540589457259
Energy: 1.1391747524981084
Energy: 1.1399973792373188
Energy: 1.1390656558992145
Energy: 1.138657714807905
Energy: 1.1390656558992145
Energy: 1.1399973792373188
Energy: 1.1390656558989234
Energy: 1.1386533277001756
Energy: 1.139044376973783
Energy: 1.1398441308814835
Energy: 1.139044376973783
Energy: 1.1386533276999167
Energy: 1.139044376973783
Energy: 1.2768487381969122
Energy: 1.1391747524983993
Energy: 1.138540589457259
Energy: 1.1391747524983993
Energy: 1.2768487381974625
Energy: 1.1391747524983993
Energy: 1.138657714807905
Energy: 1.1390656558992145
Energy: 1.1399973792370277
Energy: 1.1390656558992145
Energy: 1.1386577148081958
Energy: 1.1390656558992145
Energy: 1.1398441308823566
Energy: 1.139044376973783
Energy: 1.1386533276999167
Energy: 1.139044376973783
Energy: 1.1398441308823566
Energy: 1.139044376973783
Energy: 1.138540589457259
Energy: 1.1391747524981084
Energy: 1.2768487381974625
Energy: 1.1391747524981084
Energy: 1.138540589457259
Energy: 1.1391747524981084
Energy: 1.1399973792376101
Energy: 1.1390656558992145
Energy: 1.1386577148081958
Energy: 1.1390656558992145
Energy: 1.1399973792373188
Energy: 1.1390656558989234
Energy: 1.1386533276999167
Energy: 1.139044376973783
Energy: 1.1398441308817744
Energy: 1.139044376973783
Energy: 1.1386533276999167
Energy: 1.139044376973783
Energy: 1.2768487381974625
Energy: 1.1391747524983993
Energy: 1.138540589457259
Energy: 1.1391747524981084
Energy: 1.2768487381972036
Energy: 1.1391747524983993

minimum gb energy = 1.138540589457259 eV
minimum distance =  2.23007912039194 Angstroms
sigma value = 3


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

Energy: 1.559870331781395
Energy: 1.532031969610846
Energy: 1.1457166546937971
Energy: 1.5320319696099942
Energy: 1.559870331781395
Energy: 1.5320319696099942
Energy: 1.1210354254644683
Energy: 1.1311887205536986
Energy: 1.0930760939472495
Energy: 1.1311887205528468
Energy: 1.1210354254636163
Energy: 1.1311887205536986
Energy: 1.1042954634406006
Energy: 1.104534165316465
Energy: 1.300167645330003
Energy: 1.1045341653156133
Energy: 1.1042954634406006
Energy: 1.1045341653156133
Energy: 1.1043442850967662
Energy: 1.3199710849138668
Energy: 1.151737087924389
Energy: 1.3199710849147184
Energy: 1.1043442850959144
Energy: 1.3199710849147184
Energy: 1.119742319705483
Energy: 1.1175603470188373
Energy: 1.0918874718214056
Energy: 1.1175603470188373
Energy: 1.119742319705483
Energy: 1.1175603470188373
Energy: 1.3239231038539139
Energy: 1.1647571400401526
Energy: 1.095212120179448
Energy: 1.1647571400410042
Energy: 1.3239231038539139
Energy: 1.1647571400410042
Energy: 1.1199482571964223
Energy: 1.117695323862878
Energy: 1.1335987566938912
Energy: 1.1176953238637297
Energy: 1.1199482571964223
Energy: 1.117695323862878
Energy: 1.1224618531948798
Energy: 1.3065511032915207
Energy: 1.1560000915860207
Energy: 1.3065511032915207
Energy: 1.122461853194028
Energy: 1.3065511032915207
Energy: 1.1048318647289561
Energy: 1.1038369689152137
Energy: 1.5040459790430516
Energy: 1.103836968914362
Energy: 1.1048318647289561
Energy: 1.103836968914362
Energy: 1.1042068718080378
Energy: 1.1318927010432775
Energy: 1.0925596190026619
Energy: 1.1318927010424256
Energy: 1.1042068718080378
Energy: 1.1318927010424256
Energy: 1.5446114028846898
Energy: 1.2018258999225493
Energy: 1.138494899611523
Energy: 1.2018258999208455
Energy: 1.5446114028846898
Energy: 1.2018258999208455
Energy: 1.5157660317203638
Energy: 1.2089866298798198
Energy: 1.092437441781997
Energy: 1.2089866298789682
Energy: 1.5157660317203638
Energy: 1.2089866298789682
Energy: 1.1051752861366482
Energy: 1.1945216827746137
Energy: 1.0926994725095007
Energy: 1.1945216827754657
Energy: 1.1051752861375
Energy: 1.1945216827754657
Energy: 1.104090004496923
Energy: 1.2161832787425109
Energy: 1.15047383342037
Energy: 1.2161832787425109
Energy: 1.104090004497775
Energy: 1.216183278741659
Energy: 1.1173756509098858
Energy: 1.2082498288440726
Energy: 1.1507076963266238
Energy: 1.2082498288432209
Energy: 1.1173756509098858
Energy: 1.2082498288432209
Energy: 1.117981940899971
Energy: 1.132131652787596
Energy: 1.0933219642502414
Energy: 1.1321316527867442
Energy: 1.1179819409008225
Energy: 1.132131652787596
Energy: 1.1175217564421362
Energy: 1.132059605143574
Energy: 1.0934577600097333
Energy: 1.132059605143574
Energy: 1.1175217564421362
Energy: 1.132059605143574
Energy: 1.1175271532406503
Energy: 1.245206160919564
Energy: 1.1506349833974294
Energy: 1.245206160918712
Energy: 1.1175271532406503
Energy: 1.245206160918712
Energy: 1.1038454829663438
Energy: 1.2164029333143227
Energy: 1.1506423615273775
Energy: 1.2164029333143227
Energy: 1.1038454829663438
Energy: 1.2164029333143227
Energy: 1.1051051481266652
Energy: 1.1333406550133442
Energy: 1.0927020104106373
Energy: 1.1333406550124923
Energy: 1.1051051481266652
Energy: 1.1333406550124923
Energy: 1.5132404937706943
Energy: 1.2080908739090077
Energy: 1.092434699785422
Energy: 1.2080908739090077
Energy: 1.5132404937706943
Energy: 1.2080908739090077
Energy: 1.5432620768532048
Energy: 1.2018608834149171
Energy: 1.1311584664010461
Energy: 1.2018608834140656
Energy: 1.5432620768532048
Energy: 1.2018608834149171
Energy: 1.1050896544679127
Energy: 1.1322107730710458
Energy: 1.092561404898276
Energy: 1.1322107730693425
Energy: 1.1050896544679127
Energy: 1.1322107730693425
Energy: 1.1047883568153885
Energy: 1.1039241485639013
Energy: 1.5064124536194794
Energy: 1.1039241485639013
Energy: 1.1047883568153885
Energy: 1.1039241485630498
Energy: 1.1185573563253792
Energy: 1.2402016305096566
Energy: 1.1503492595648392
Energy: 1.2402016305105084
Energy: 1.1185573563253792
Energy: 1.2402016305105084
Energy: 1.122512219597332
Energy: 1.2231780298448816
Energy: 1.1646116035149043
Energy: 1.2231780298448816
Energy: 1.1225122195981838
Energy: 1.2231780298448816
Energy: 1.1177573868119945
Energy: 1.131397405283259
Energy: 1.0949270695772766
Energy: 1.1313974052841105
Energy: 1.1177573868119945
Energy: 1.1313974052841105
Energy: 1.1223513949859498
Energy: 1.2033417856291917
Energy: 1.2975426419606388
Energy: 1.20334178562834
Energy: 1.1223513949850983
Energy: 1.20334178562834
Energy: 1.1977344228991762
Energy: 1.3148013748647434
Energy: 1.153506861553383
Energy: 1.3148013748664469
Energy: 1.1977344228991762
Energy: 1.3148013748647434
Energy: 1.1049488947743646
Energy: 1.1044393671130954
Energy: 1.2999861005493083
Energy: 1.1044393671130954
Energy: 1.1049488947743646
Energy: 1.1044393671130954
Energy: 1.1802582746138097
Energy: 1.131532437390031
Energy: 1.0951537965270972
Energy: 1.1315324373891793
Energy: 1.1802582746138097
Energy: 1.1315324373891793
Energy: 1.5422874113420961
Energy: 1.3282179578187314
Energy: 1.1344386116712175
Energy: 1.3282179578161764
Energy: 1.5422874113420961
Energy: 1.3282179578161764
Energy: 1.1183353707847608
Energy: 1.1310579902255586
Energy: 1.0923840378521155
Energy: 1.131057990223855
Energy: 1.1183353707864645
Energy: 1.131057990223855

minimum gb energy = 1.0918874718214056 eV
minimum distance =  2.22103341425685 Angstroms
sigma value = 67


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

Energy: 1.1193397026524492
Energy: 1.6795906119609558
Energy: 1.3378013459268068
Energy: 1.6795906119609558
Energy: 1.119339702653663
Energy: 1.6795906119609558
Energy: 1.0556144502995224
Energy: 1.0599214597199262
Energy: 1.0593835954130222
Energy: 1.0599214597199262
Energy: 1.0556144502995224
Energy: 1.0599214597199262
Energy: 1.0644554332042908
Energy: 1.1352695577754461
Energy: 1.3239225718867447
Energy: 1.1352695577754461
Energy: 1.0644554332042908
Energy: 1.1352695577754461
Energy: 1.5219104999647033
Energy: 1.419974471463237
Energy: 1.056196229565932
Energy: 1.4199744714547413
Energy: 1.5219104999647033
Energy: 1.419974471463237
Energy: 1.0585071258490466
Energy: 1.338103429254346
Energy: 1.0615772170466695
Energy: 1.338103429254346
Energy: 1.0585071258490466
Energy: 1.3381034292531322
Energy: 1.0558666676382167
Energy: 1.0605464597545267
Energy: 1.059389517415755
Energy: 1.0605464597545267
Energy: 1.0558666676382167
Energy: 1.0605464597545267
Energy: 1.0647903705130486
Energy: 1.0604081869516935
Energy: 1.0669039006938703
Energy: 1.0604081869516935
Energy: 1.0647903705118351
Energy: 1.0604081869516935
Energy: 1.0607979990716752
Energy: 1.37905803109641
Energy: 1.5913352422687699
Energy: 1.379058031095196
Energy: 1.0607979990716752
Energy: 1.379058031095196
Energy: 1.0716130745931087
Energy: 1.1178882353083668
Energy: 1.584589409484203
Energy: 1.1178882353095807
Energy: 1.0716130745918948
Energy: 1.1178882353095807
Energy: 1.06047053051489
Energy: 1.0613703821183642
Energy: 1.0655840701073522
Energy: 1.0613703821183642
Energy: 1.0604705305161037
Energy: 1.0613703821171503
Energy: 1.0553545083746751
Energy: 1.0611383503579714
Energy: 1.0679919929241664
Energy: 1.0611383503579714
Energy: 1.0553545083746751
Energy: 1.0611383503567577
Energy: 1.0553532214010175
Energy: 1.131064250925473
Energy: 1.0552482101063334
Energy: 1.131064250925473
Energy: 1.0553532213998038
Energy: 1.131064250925473
Energy: 1.0679527776797086
Energy: 1.0612101368337439
Energy: 1.055222631813457
Energy: 1.0612101368349578
Energy: 1.067952777678495
Energy: 1.0612101368337439
Energy: 1.0664631923072865
Energy: 1.0615268009415353
Energy: 1.0607192990472345
Energy: 1.0615268009427492
Energy: 1.0664631923060728
Energy: 1.0615268009415353
Energy: 1.5845975485106292
Energy: 1.1181664619300857
Energy: 1.0716123349531357
Energy: 1.1181664619300857
Energy: 1.5845975485106292
Energy: 1.1181664619300857
Energy: 1.5913277512566217
Energy: 1.3790710613705552
Energy: 1.0608962772132684
Energy: 1.3790710613705552
Energy: 1.5913277512566217
Energy: 1.3790710613705552
Energy: 1.067097789530938
Energy: 1.0604361680648708
Energy: 1.062673559556658
Energy: 1.0604361680648708
Energy: 1.067097789530938
Energy: 1.0604361680648708
Energy: 1.0595717678498382
Energy: 1.0605738303422092
Energy: 1.0558772493502973
Energy: 1.0605738303422092
Energy: 1.0595717678498382
Energy: 1.0605738303422092
Energy: 1.0613934275291215
Energy: 1.3374398588123466
Energy: 1.058477340221082
Energy: 1.3374398588135603
Energy: 1.0613934275157708
Energy: 1.3374398588123466
Energy: 1.056200748908849
Energy: 1.1367401102894317
Energy: 1.5216500677570415
Energy: 1.136740110291859
Energy: 1.056200748908849
Energy: 1.1367401102906456
Energy: 1.3237594836712925
Energy: 1.1352695577754461
Energy: 1.062803447363039
Energy: 1.1352695577766598
Energy: 1.323759483670079
Energy: 1.1352695577754461
Energy: 1.0593818171932672
Energy: 1.0599330047491162
Energy: 1.0554862124039777
Energy: 1.05993300475033
Energy: 1.0593818171932672
Energy: 1.05993300475033
Energy: 1.3305019174614927
Energy: 1.6795906119609558
Energy: 1.1193397026524492
Energy: 1.6795906119609558
Energy: 1.3305019174614927
Energy: 1.6795906119609558

minimum gb energy = 1.055222631813457 eV
minimum distance =  2.23735793339467 Angstroms
sigma value = 33


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

Energy: 1.3862246328988652
Energy: 1.0343442173153123
Energy: 1.580059089390413
Energy: 1.0343442173153123
Energy: 1.3862246328988652
Energy: 1.0343442173153123
Energy: 1.4940319064218455
Energy: 1.3631997729461038
Energy: 0.989352591144785
Energy: 1.3631997729461038
Energy: 1.4940319064218455
Energy: 1.3631997729461038
Energy: 0.9942928225040588
Energy: 1.0550056876897635
Energy: 1.4593755058197342
Energy: 1.055005687688994
Energy: 0.9942928225040588
Energy: 1.0550056876897635
Energy: 1.0578103048020522
Energy: 0.9892210104698197
Energy: 1.0089320320257729
Energy: 0.9892210104613502
Energy: 1.0578103048028218
Energy: 0.9892210104628901
Energy: 1.3275744465260828
Energy: 1.3180084097032398
Energy: 1.312519490748165
Energy: 1.3180084097086295
Energy: 1.3275744465260828
Energy: 1.3180084097086295
Energy: 1.3231875079134594
Energy: 1.005849535122457
Energy: 0.9975273269173914
Energy: 1.0058495351232268
Energy: 1.3231875079142292
Energy: 1.0058495351232268
Energy: 0.9943350866577223
Energy: 1.004371819932851
Energy: 1.0129152444546279
Energy: 1.0043718199336211
Energy: 0.9943350866577223
Energy: 1.004371819932851
Energy: 1.0066065390800014
Energy: 0.9892037256532077
Energy: 1.3252615164210557
Energy: 0.9892037256524377
Energy: 1.0066065390800014
Energy: 0.9892037256524377
Energy: 1.3134886534595596
Energy: 1.2401405643218737
Energy: 1.325478344283331
Energy: 1.2401405643218737
Energy: 1.3134886534595596
Energy: 1.2401405643218737
Energy: 1.0133424599626633
Energy: 1.005909547476427
Energy: 0.9937223169152838
Energy: 1.005909547476427
Energy: 1.0133424599626633
Energy: 1.005909547476427
Energy: 0.9920887034109238
Energy: 1.0067954983293428
Energy: 1.0094449714785227
Energy: 1.0067954983301128
Energy: 0.9920887034116938
Energy: 1.0067954983301128
Energy: 0.9937161774988735
Energy: 1.0725077246299646
Energy: 1.4935186145445496
Energy: 1.0725077246299646
Energy: 0.9937161774996432
Energy: 1.0725077246299646
Energy: 1.3282063073000736
Energy: 1.3248979566023253
Energy: 1.3645641452295834
Energy: 1.3248979565992456
Energy: 1.3282063072993036
Energy: 1.3248979565892365
Energy: 0.9895674281156865
Energy: 1.0055049699808722
Energy: 0.9991895779231423
Energy: 1.005504969981642
Energy: 0.9895674281156865
Energy: 1.0055049699808722
Energy: 1.3600665460321981
Energy: 1.0558061619068697
Energy: 0.990784328218653
Energy: 1.0558061619068697
Energy: 1.3600665460329682
Energy: 1.0558061619068697
Energy: 1.0086831865291253
Energy: 1.3124726545587688
Energy: 1.4789191512016453
Energy: 1.3124726545587688
Energy: 1.008683186529895
Energy: 1.3124726545587688
Energy: 1.516583533497463
Energy: 1.0015709668078754
Energy: 1.3438497148124693
Energy: 1.0015709668071051
Energy: 1.516583533497463
Energy: 1.0015709668055655
Energy: 0.9914316090685723
Energy: 1.0038453770738447
Energy: 1.2642142155628306
Energy: 1.0038453770738447
Energy: 0.9914316090685723
Energy: 1.0038453770730744
Energy: 1.1530323623866199
Energy: 1.0035914006873254
Energy: 0.9909148475309595
Energy: 1.0035914006873254
Energy: 1.1530323623866199
Energy: 1.0035914006873254
Energy: 1.3231902328490597
Energy: 0.9902246571141327
Energy: 1.0067243533720545
Energy: 0.9902246570802553
Energy: 1.3231902328482896
Energy: 0.9902246570910345
Energy: 1.4920965615382817
Energy: 1.2296001814775535
Energy: 1.0105241239787017
Energy: 1.2296001814775535
Energy: 1.492096561537512
Energy: 1.2296001814775535
Energy: 0.9917647808257073
Energy: 1.0042916895678453
Energy: 1.3132940641172208
Energy: 1.0042916895670753
Energy: 0.9917647808257073
Energy: 1.0042916895678453
Energy: 1.011683453725138
Energy: 1.0068402290277934
Energy: 0.9912258436967417
Energy: 1.0068402290285632
Energy: 1.011683453725138
Energy: 1.0068402290277934
Energy: 1.368144161160517
Energy: 1.2302607178682974
Energy: 0.9889585934859872
Energy: 1.2302607178682974
Energy: 1.368144161160517
Energy: 1.2302607178682974
Energy: 1.4938078847645715
Energy: 1.0714782352338925
Energy: 0.9913018832382313
Energy: 1.0714782352338925
Energy: 1.4938078847645715
Energy: 1.0714782352338925
Energy: 1.0099954614884126
Energy: 1.0073503484095283
Energy: 0.9942290149844826
Energy: 1.0073503484079882
Energy: 1.0099954614884126
Energy: 1.0073503484072186
Energy: 0.9944344531171502
Energy: 1.0049948150898171
Energy: 1.3138828132245486
Energy: 1.0049948150898171
Energy: 0.9944344531171502
Energy: 1.0049948150898171
Energy: 1.3278193373837832
Energy: 1.2266051255617452
Energy: 1.0139940602433677
Energy: 1.226605125562515
Energy: 1.3278193373837832
Energy: 1.226605125562515
Energy: 1.3277348918877308
Energy: 0.989837874294237
Energy: 1.004256754243912
Energy: 0.989837874294237
Energy: 1.3277348918869611
Energy: 0.989837874294237
Energy: 1.006822346748603
Energy: 1.0036805765211956
Energy: 0.992059719961175
Energy: 1.0036805765211956
Energy: 1.006822346748603
Energy: 1.0036805765211956
Energy: 0.9942944852427337
Energy: 1.2038125113587335
Energy: 1.493525365666057
Energy: 1.2038125113579636
Energy: 0.9942944852427337
Energy: 1.2038125113579636
Energy: 1.3126728323579748
Energy: 1.0152288155828668
Energy: 1.323197114502085
Energy: 1.0152288155851767
Energy: 1.3126728323579748
Energy: 1.015228815580557
Energy: 1.0083373475214306
Energy: 1.1690409565651751
Energy: 1.4423663957060184
Energy: 1.169040956564405
Energy: 1.0083373475206603
Energy: 1.169040956564405
Energy: 1.26503414186792
Energy: 1.0550902157946658
Energy: 0.9917153335960661
Energy: 1.0550902157946658
Energy: 1.2650341418686901
Energy: 1.0550902157946658
Energy: 0.9889458500835171
Energy: 1.0051404169221276
Energy: 1.4211341022901465
Energy: 1.0051404169221276
Energy: 0.9889458500835171
Energy: 1.0051404169213576
Energy: 1.3285244318440999
Energy: 1.0348059043832003
Energy: 1.3647024066951141
Energy: 1.0348059043832003
Energy: 1.3285244318440999
Energy: 1.0348059043832003
Energy: 0.990761812809812
Energy: 1.2272148598617554
Energy: 1.494068340687471
Energy: 1.2272148598617554
Energy: 0.990761812809812
Energy: 1.2272148598632953

minimum gb energy = 0.9889458500835171 eV
minimum distance =  2.17237088708835 Angstroms
sigma value = 41


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

Energy: 0.8527023177083088
Energy: 0.8216403798996397
Energy: 1.6872690405083193
Energy: 0.8216403798996397
Energy: 0.8527023177083088
Energy: 0.8216403798996397
Energy: 1.523909542660323
Energy: 0.8204364703318213
Energy: 0.8221941548798529
Energy: 0.8204364703318213
Energy: 1.523909542660323
Energy: 0.8204364703318213
Energy: 0.8539250698105864
Energy: 1.031027434817504
Energy: 0.8249739217245088
Energy: 1.031027434819606
Energy: 0.8539250698105864
Energy: 1.031027434819606
Energy: 1.5535160980897968
Energy: 0.82054880845104
Energy: 0.8225375618879011
Energy: 0.82054880845104
Energy: 1.5535160980897968
Energy: 0.82054880845104
Energy: 0.8536964003036888
Energy: 0.8205480957191096
Energy: 0.8238548642373107
Energy: 0.8205480957191096
Energy: 0.8536964003036888
Energy: 0.8205480957191096
Energy: 0.8527240562063344
Energy: 0.8666197993988694
Energy: 0.8230621950447098
Energy: 0.8666197993988694
Energy: 0.8527240562063344
Energy: 0.8666197993988694
Energy: 1.558568979127583
Energy: 0.8206086844905452
Energy: 0.8231959767131555
Energy: 0.8206086844905452
Energy: 1.558568979127583
Energy: 0.8206086844905452
Energy: 0.8519774269437937
Energy: 0.8207769236090809
Energy: 0.8238138229157184
Energy: 0.8207769236090809
Energy: 0.8519774269437937
Energy: 0.8207769236090809
Energy: 1.4873648788897527
Energy: 0.8662930894529144
Energy: 0.8226261477045818
Energy: 0.8662930894529144
Energy: 1.4873648788897527
Energy: 0.8662930894529144
Energy: 0.8534329108388093
Energy: 0.8209136366259115
Energy: 0.824973619732286
Energy: 0.8209136366259115
Energy: 0.8534329108388093
Energy: 0.8209136366280136
Energy: 1.4929740748289924
Energy: 0.8205438599886546
Energy: 0.8224421975871344
Energy: 0.8205438599865524
Energy: 1.4929740748289924
Energy: 0.8205438599865524
Energy: 0.8533709988414292
Energy: 1.0310774463081314
Energy: 1.483956203559287
Energy: 1.0310774463102335
Energy: 0.8533709988414292
Energy: 1.0310774463102335
Energy: 1.4929104322573379
Energy: 0.8207690740308955
Energy: 0.8224337880980783
Energy: 0.8207690740308955
Energy: 1.4929104322552356
Energy: 0.8207690740308955
Energy: 0.8534347972914191
Energy: 0.8208650457473787
Energy: 0.8249829281714034
Energy: 0.8208650457473787
Energy: 0.8534347972914191
Energy: 0.8208650457473787

minimum gb energy = 0.8204364703318213 eV
minimum distance =  2.34335937513623 Angstroms
sigma value = 11


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

Energy: 1.1297072692732837
Energy: 1.108761386182453
Energy: 1.4645979736325565
Energy: 1.1087613861833763
Energy: 1.1297072692732837
Energy: 1.1087613861833763
Energy: 1.097300352780503
Energy: 1.1152558546387188
Energy: 1.096131842888624
Energy: 1.1152558546387188
Energy: 1.0973003527795795
Energy: 1.1152558546387188
Energy: 1.0969306633578304
Energy: 1.1488938033717475
Energy: 1.0965544885143577
Energy: 1.1488938033717475
Energy: 1.0969306633569067
Energy: 1.1488938033717475
Energy: 1.1149563820499198
Energy: 1.1166835646999562
Energy: 1.0960508148219223
Energy: 1.1166835646999562
Energy: 1.1149563820499198
Energy: 1.1166835646999562
Energy: 1.0966649923632443
Energy: 1.1893469006793431
Energy: 1.11495358132782
Energy: 1.1893469006793431
Energy: 1.0966649923632443
Energy: 1.1893469006793431
Energy: 1.1347337209122033
Energy: 1.1843708480098745
Energy: 1.0961515094521161
Energy: 1.1843708480098745
Energy: 1.1347337209122033
Energy: 1.1843708480098745
Energy: 1.1150347430125194
Energy: 1.1882281119955762
Energy: 1.13027197004176
Energy: 1.1882281119946734
Energy: 1.1150347430134429
Energy: 1.1882281119955762
Energy: 1.0975514213102722
Energy: 1.117702859098342
Energy: 1.0961752024475644
Energy: 1.117702859098342
Energy: 1.0975514213102722
Energy: 1.117702859098342
Energy: 1.09798000303816
Energy: 1.1900967440218984
Energy: 1.0957415256381797
Energy: 1.1900967440218984
Energy: 1.09798000303816
Energy: 1.1900967440218984
Energy: 1.0955935177955858
Energy: 1.115176580452083
Energy: 1.1156139960197347
Energy: 1.1151765804511595
Energy: 1.0955935177965093
Energy: 1.1151765804511595
Energy: 1.1180099996144246
Energy: 1.0959169540025644
Energy: 1.1324578060016948
Energy: 1.0959169540025644
Energy: 1.1180099996144246
Energy: 1.0959169540025644
Energy: 1.097773181511891
Energy: 1.1841379860633403
Energy: 1.131994372886497
Energy: 1.1841379860633403
Energy: 1.097773181511891
Energy: 1.1841379860633403
Energy: 1.0961630051169744
Energy: 1.1152517430296096
Energy: 1.1068966726216631
Energy: 1.1152517430296096
Energy: 1.0961630051169744
Energy: 1.1152517430296096
Energy: 1.11640414729615
Energy: 1.193391447694553
Energy: 1.1160318021757323
Energy: 1.193391447694553
Energy: 1.1164041472970734
Energy: 1.193391447694553
Energy: 1.0957264000569575
Energy: 1.4800629876196079
Energy: 1.099336563263768
Energy: 1.4800629876205311
Energy: 1.0957264000569575
Energy: 1.4800629876196079
Energy: 1.1177613889898175
Energy: 1.4320556488272336
Energy: 1.1301104420407249
Energy: 1.4320556488272336
Energy: 1.1177613889898175
Energy: 1.4320556488272336
Energy: 1.1304080968213583
Energy: 1.1889622019277504
Energy: 1.0971926760978037
Energy: 1.1889622019277504
Energy: 1.1304080968213583
Energy: 1.1889622019277504
Energy: 1.096052778033846
Energy: 1.4260741450487986
Energy: 1.095884605001297
Energy: 1.426074145049722
Energy: 1.096052778033846
Energy: 1.4260741450487986
Energy: 1.1151046488569034
Energy: 1.1152566152369041
Energy: 1.1156804585850204
Energy: 1.1152566152369041
Energy: 1.115104648857827
Energy: 1.1152566152369041
Energy: 1.0959003967830068
Energy: 1.115254185494593
Energy: 1.0989379550399596
Energy: 1.115254185494593
Energy: 1.0959003967830068
Energy: 1.115254185494593
Energy: 1.1315864254589647
Energy: 1.1836719799556066
Energy: 1.0971134305078651
Energy: 1.1836719799556066
Energy: 1.1315864254589647
Energy: 1.1836719799556066
Energy: 1.1323500791464798
Energy: 1.0998452383830888
Energy: 1.1160659076758226
Energy: 1.0998452383812418
Energy: 1.1323500791464798
Energy: 1.0998452383830888
Energy: 1.1173905170338805
Energy: 1.2094757268478717
Energy: 1.146940008835996
Energy: 1.2094757268487955
Energy: 1.1173905170338805
Energy: 1.2094757268487955
Energy: 1.095779595464235
Energy: 1.189783409704816
Energy: 1.0971874786395786
Energy: 1.189783409704816
Energy: 1.095779595464235
Energy: 1.189783409704816
Energy: 1.0992006185042262
Energy: 1.1168763765760228
Energy: 1.0967150643414885
Energy: 1.1168763765760228
Energy: 1.0992006185042262
Energy: 1.1168763765760228
Energy: 1.1306341920324414
Energy: 1.1887659033929114
Energy: 1.1149291240031194
Energy: 1.1887659033929114
Energy: 1.130634192031518
Energy: 1.1887659033929114
Energy: 1.0963967159828327
Energy: 1.184055463032963
Energy: 1.0967722251556642
Energy: 1.184055463032963
Energy: 1.0963967159828327
Energy: 1.184055463032963
Energy: 1.1149768340624937
Energy: 1.1888218606260037
Energy: 1.134647914534665
Energy: 1.1888218606260037
Energy: 1.1149768340624937
Energy: 1.1888218606260037
Energy: 1.0967180528408471
Energy: 1.1156681525233023
Energy: 1.1149831922815474
Energy: 1.1156681525242047
Energy: 1.0967180528408471
Energy: 1.1156681525242047
Energy: 1.0962138246162623
Energy: 1.1159046853704937
Energy: 1.09781058041596
Energy: 1.1159046853704937
Energy: 1.0962138246162623
Energy: 1.1159046853704937
Energy: 1.095803020603382
Energy: 1.1190450653199093
Energy: 1.0979871724950063
Energy: 1.11904506532268
Energy: 1.095803020603382
Energy: 1.1190450653217563

minimum gb energy = 1.0955935177955858 eV
minimum distance =  2.21165223566747 Angstroms
sigma value = 57


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

Energy: 1.2411499502929668
Energy: 1.244839707080317
Energy: 1.3807355543848758
Energy: 1.244839707080317
Energy: 1.2411499502929668
Energy: 1.244839707080317
Energy: 1.1902808059461198
Energy: 1.1790247635324003
Energy: 1.1776576451911476
Energy: 1.1790247635324003
Energy: 1.1902808059461198
Energy: 1.1790247635324003
Energy: 1.1782530039849197
Energy: 1.287649405807155
Energy: 1.177870147878758
Energy: 1.2876494058087984
Energy: 1.1782530039849197
Energy: 1.287649405807155
Energy: 1.17786025362648
Energy: 1.5986946874577046
Energy: 1.177854337217496
Energy: 1.5986946874577046
Energy: 1.17786025362648
Energy: 1.5986946874577046
Energy: 1.1778717093281508
Energy: 1.2876507472858636
Energy: 1.17839086017006
Energy: 1.2876507472858636
Energy: 1.1778717093281508
Energy: 1.2876507472858636
Energy: 1.1776544275710699
Energy: 1.179043288561094
Energy: 1.1902291153699938
Energy: 1.179043288561094
Energy: 1.1776544275727132
Energy: 1.179043288561094
Energy: 1.3227379359384979
Energy: 1.244839707080317
Energy: 1.2411499502929668
Energy: 1.244839707080317
Energy: 1.3227379359384979
Energy: 1.244839707080317
Energy: 1.1776576451911476
Energy: 1.1790247635324003
Energy: 1.1902808059461198
Energy: 1.1790247635324003
Energy: 1.1776576451911476
Energy: 1.1790247635324003
Energy: 1.177870147878758
Energy: 1.2876494058087984
Energy: 1.1782530039849197
Energy: 1.2876494058087984
Energy: 1.177870147878758
Energy: 1.2876494058087984
Energy: 1.177854337217496
Energy: 1.5986946874577046
Energy: 1.1778602536248368
Energy: 1.5986946874577046
Energy: 1.177854337217496
Energy: 1.5986946874577046
Energy: 1.17839086017006
Energy: 1.2876507472842202
Energy: 1.1778717093281508
Energy: 1.2876507472842202
Energy: 1.17839086017006
Energy: 1.2876507472842202
Energy: 1.1902291153699938
Energy: 1.179043288561094
Energy: 1.1776544275727132
Energy: 1.179043288561094
Energy: 1.1902291153699938
Energy: 1.179043288561094
Energy: 1.2411499502929668
Energy: 1.244839707080317
Energy: 1.3227379359384979
Energy: 1.244839707080317
Energy: 1.2411499502929668
Energy: 1.244839707080317
Energy: 1.1902808059461198
Energy: 1.1790247635324003
Energy: 1.1776576451911476
Energy: 1.1790247635324003
Energy: 1.1902808059461198
Energy: 1.1790247635324003
Energy: 1.1782530039849197
Energy: 1.2876494058087984
Energy: 1.177870147878758
Energy: 1.287649405807155
Energy: 1.1782530039849197
Energy: 1.287649405807155
Energy: 1.17786025362648
Energy: 1.5986946874577046
Energy: 1.177854337217496
Energy: 1.5986946874577046
Energy: 1.17786025362648
Energy: 1.5986946874577046
Energy: 1.1778717093281508
Energy: 1.2876507472858636
Energy: 1.17839086017006
Energy: 1.2876507472858636
Energy: 1.1778717093281508
Energy: 1.2876507472858636

minimum gb energy = 1.1776544275710699 eV
minimum distance =  2.22900905328019 Angstroms
sigma value = 9


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

Energy: 1.2890938189759549
Energy: 1.265494677890302
Energy: 1.382460268757787
Energy: 1.265494677890302
Energy: 1.2890938189759549
Energy: 1.265494677890302
Energy: 1.2572645668353344
Energy: 1.416513835570318
Energy: 1.2639053609049962
Energy: 1.416513835570318
Energy: 1.2572645668353344
Energy: 1.416513835570318
Energy: 1.269283761014332
Energy: 1.2863180721513303
Energy: 1.2660146421503715
Energy: 1.2863180721513303
Energy: 1.269283761014332
Energy: 1.2863180721513303
Energy: 1.2695373176317706
Energy: 1.273925739209777
Energy: 1.2542519643616008
Energy: 1.273925739208435
Energy: 1.2695373176317706
Energy: 1.273925739208435
Energy: 1.255099771689241
Energy: 1.3583146472943346
Energy: 1.2664138419330555
Energy: 1.3583146472943346
Energy: 1.255099771689241
Energy: 1.3583146472943346
Energy: 1.269506234076953
Energy: 1.272987405335494
Energy: 1.3050183171212897
Energy: 1.2729874053341521
Energy: 1.269506234076953
Energy: 1.2729874053341521
Energy: 1.2708869915106966
Energy: 1.4163217005018751
Energy: 1.2662535641222636
Energy: 1.416321700503217
Energy: 1.2708869915120384
Energy: 1.416321700503217
Energy: 1.2739245497705634
Energy: 1.320487845627652
Energy: 1.2638973306156056
Energy: 1.320487845627652
Energy: 1.2739245497705634
Energy: 1.320487845627652
Energy: 1.2373969627038803
Energy: 1.4147225810910078
Energy: 1.2424504746981646
Energy: 1.414722581089666
Energy: 1.2373969627038803
Energy: 1.414722581089666
Energy: 1.3138628051194043
Energy: 1.5217119703742479
Energy: 1.2645078179133074
Energy: 1.5217119703742479
Energy: 1.3138628051180625
Energy: 1.521711970372906
Energy: 1.2714196108107512
Energy: 1.3186682894415254
Energy: 1.2550046558191126
Energy: 1.3186682894415254
Energy: 1.2714196108107512
Energy: 1.3186682894415254
Energy: 1.2689706398562766
Energy: 1.2739813583361412
Energy: 1.2692580149514285
Energy: 1.2739813583361412
Energy: 1.2689706398562766
Energy: 1.2739813583361412
Energy: 1.2710822052402355
Energy: 1.2703740146905294
Energy: 1.2659786055626245
Energy: 1.2703740146891875
Energy: 1.2710822052402355
Energy: 1.2703740146891875
Energy: 1.2693259736647633
Energy: 1.2710269566776695
Energy: 1.2421413706489939
Energy: 1.2710269566749859
Energy: 1.2693259736647633
Energy: 1.2710269566749859
Energy: 1.3093501926469255
Energy: 1.4155601392471795
Energy: 1.2789034161514206
Energy: 1.4155601392458377
Energy: 1.3093501926469255
Energy: 1.4155601392471795
Energy: 1.271847269808627
Energy: 1.42134079267669
Energy: 1.2552245370207669
Energy: 1.42134079267669
Energy: 1.271847269808627
Energy: 1.42134079267669
Energy: 1.271780030816118
Energy: 1.3153130680739276
Energy: 1.2642461431407803
Energy: 1.3153130680739276
Energy: 1.271780030816118
Energy: 1.3153130680739276
Energy: 1.3234632797742127
Energy: 1.4158166711178193
Energy: 1.264690212916147
Energy: 1.4158166711164777
Energy: 1.3234632797755546
Energy: 1.4158166711178193
Energy: 1.2720459299220142
Energy: 1.2714484425804922
Energy: 1.2860472923191733
Energy: 1.271448442579181
Energy: 1.2720459299220142
Energy: 1.271448442579181
Energy: 1.2694214139059554
Energy: 1.3984958148366629
Energy: 1.2646848679846474
Energy: 1.3984958148380047
Energy: 1.2694214139046134
Energy: 1.3984958148366629
Energy: 1.2717775456874696
Energy: 1.2717807578724192
Energy: 1.255857620347124
Energy: 1.2717807578710774
Energy: 1.2717775456888112
Energy: 1.2717807578710774

minimum gb energy = 1.2373969627038803 eV
minimum distance =  2.22224494392189 Angstroms
sigma value = 27


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

Energy: 1.4191457378356869
Energy: 1.27997352231152
Energy: 1.390813000069778
Energy: 1.27997352231152
Energy: 1.4191457378356869
Energy: 1.27997352231152
Energy: 1.2758706734422307
Energy: 1.233130213130786
Energy: 1.2687112136993128
Energy: 1.2331302131296547
Energy: 1.2758706734422307
Energy: 1.2331302131296547
Energy: 1.2487533579402421
Energy: 1.2495099185599532
Energy: 1.2688361744069336
Energy: 1.2495099185610843
Energy: 1.248753357939111
Energy: 1.2495099185610843
Energy: 1.2868646760915108
Energy: 1.4457014713468812
Energy: 1.273903003516526
Energy: 1.44570147134575
Energy: 1.2868646760915108
Energy: 1.44570147134575
Energy: 1.2383113753055621
Energy: 1.445987793402537
Energy: 1.2375834389265614
Energy: 1.4459877934014058
Energy: 1.2383113753055621
Energy: 1.4459877934014058
Energy: 1.2779993856823597
Energy: 1.2703953983128193
Energy: 1.2705865867943882
Energy: 1.2703953983128193
Energy: 1.2779993856823597
Energy: 1.2703953983128193
Energy: 1.2534831403714186
Energy: 1.3962006082818612
Energy: 1.2818278843739235
Energy: 1.3962006082818612
Energy: 1.2534831403714186
Energy: 1.39620060828073
Energy: 1.256871896952882
Energy: 1.30859767163339
Energy: 1.281896118068276
Energy: 1.30859767163339
Energy: 1.256871896952882
Energy: 1.30859767163339
Energy: 1.3502319529215225
Energy: 1.4102025324583938
Energy: 1.3271135019518623
Energy: 1.4102025324583938
Energy: 1.3502319529215225
Energy: 1.4102025324583938
Energy: 1.2567425484281158
Energy: 1.2574755325680091
Energy: 1.288787625609772
Energy: 1.2574755325668783
Energy: 1.256742548426985
Energy: 1.2574755325668783
Energy: 1.2570731330864011
Energy: 1.2373538612287267
Energy: 1.2886796071366104
Energy: 1.2373538612287267
Energy: 1.257073133087532
Energy: 1.2373538612287267
Energy: 1.3503588126380839
Energy: 1.4592860529513583
Energy: 1.2837734674406487
Energy: 1.4592860529502272
Energy: 1.3503588126380839
Energy: 1.4592860529502272
Energy: 1.2573015630258582
Energy: 1.3706800297508879
Energy: 1.2818864310830838
Energy: 1.3706800297508879
Energy: 1.257301563026989
Energy: 1.3706800297508879
Energy: 1.2399086192476403
Energy: 1.3850243970823384
Energy: 1.2834114887068873
Energy: 1.3850243970812075
Energy: 1.2399086192476403
Energy: 1.3850243970812075
Energy: 1.285654366859319
Energy: 1.277792504244646
Energy: 1.270878434956225
Energy: 1.2777925042435148
Energy: 1.285654366859319
Energy: 1.2777925042435148
Energy: 1.240330382152962
Energy: 1.445987793402537
Energy: 1.2374977054580165
Energy: 1.445987793402537
Energy: 1.240330382152962
Energy: 1.445987793402537
Energy: 1.2868995407163164
Energy: 1.3983783864079793
Energy: 1.2564262974751512
Energy: 1.3983783864079793
Energy: 1.2868995407151855
Energy: 1.3983783864079793
Energy: 1.2486911693398048
Energy: 1.2505428859824712
Energy: 1.2686091902151688
Energy: 1.2505428859824712
Energy: 1.2486911693398048
Energy: 1.2505428859824712
Energy: 1.2793195986087684
Energy: 1.2473380567703494
Energy: 1.2687989949481548
Energy: 1.2473380567714802
Energy: 1.2793195986087684
Energy: 1.2473380567714802
Energy: 1.419145737836818
Energy: 1.27997352231152
Energy: 1.390813000069778
Energy: 1.2799735223126254
Energy: 1.419145737836818
Energy: 1.2799735223126254
Energy: 1.2758706734422307
Energy: 1.233130213130786
Energy: 1.2687112136993128
Energy: 1.2331302131296547
Energy: 1.2758706734422307
Energy: 1.2331302131296547
Energy: 1.248753357939111
Energy: 1.2495099185610843
Energy: 1.2688361744058025
Energy: 1.2495099185610843
Energy: 1.248753357939111
Energy: 1.2495099185610843
Energy: 1.2868646760915108
Energy: 1.4457014713468812
Energy: 1.273903003516526
Energy: 1.44570147134575
Energy: 1.2868646760915108
Energy: 1.44570147134575
Energy: 1.2383113753055621
Energy: 1.445987793402537
Energy: 1.2375834389276925
Energy: 1.4459877934014058
Energy: 1.2383113753055621
Energy: 1.4459877934014058
Energy: 1.2779993856823597
Energy: 1.2703953983128193
Energy: 1.2705865867943882
Energy: 1.2703953983128193
Energy: 1.2779993856823597
Energy: 1.2703953983128193

minimum gb energy = 1.2331302131296547 eV
minimum distance =  2.22545238472033 Angstroms
sigma value = 19


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

Energy: 1.404457093880828
Energy: 1.2330600240636294
Energy: 1.2871787939634824
Energy: 1.2330600240646057
Energy: 1.4044570938818044
Energy: 1.2330600240646057
Energy: 1.2423014498401277
Energy: 1.2315172191282486
Energy: 1.2247388724649622
Energy: 1.2315172191282486
Energy: 1.2423014498401277
Energy: 1.2315172191282486
Energy: 1.2098301690501438
Energy: 1.22758586156154
Energy: 1.2249212549493893
Energy: 1.22758586156154
Energy: 1.2098301690501438
Energy: 1.22758586156154
Energy: 1.243089649324112
Energy: 1.2264106817464664
Energy: 1.2333708556038399
Energy: 1.2264106817464664
Energy: 1.243089649324112
Energy: 1.226410681744514
Energy: 1.2271951285622793
Energy: 1.338696525657573
Energy: 1.2333167604917252
Energy: 1.338696525657573
Energy: 1.2271951285622793
Energy: 1.338696525657573
Energy: 1.2219227219506592
Energy: 1.367099030378413
Energy: 1.2309042209221075
Energy: 1.367099030378413
Energy: 1.2219227219506592
Energy: 1.367099030378413
Energy: 1.2179564046165778
Energy: 1.3911063233621443
Energy: 1.2330938784714855
Energy: 1.3911063233621443
Energy: 1.2179564046165778
Energy: 1.3911063233621443
Energy: 1.2182021574092396
Energy: 1.3676064920914037
Energy: 1.230761357282789
Energy: 1.3676064920923798
Energy: 1.2182021574092396
Energy: 1.3676064920923798
Energy: 1.2433622725916533
Energy: 1.2328733281533242
Energy: 1.2473752213863456
Energy: 1.2328733281533242
Energy: 1.2433622725916533
Energy: 1.2328733281533242
Energy: 1.2272370600002716
Energy: 1.3039452827149298
Energy: 1.21479676494584
Energy: 1.3039452827149298
Energy: 1.2272370600012479
Energy: 1.3039452827149298
Energy: 1.2230872639136963
Energy: 1.2364073894415626
Energy: 1.2248549283732062
Energy: 1.2364073894415626
Energy: 1.2230872639136963
Energy: 1.2364073894415626
Energy: 1.239548475354006
Energy: 1.1946321212342406
Energy: 1.2153601477315512
Energy: 1.1946321212342406
Energy: 1.2395484753549821
Energy: 1.1946321212342406
Energy: 1.2393502746726266
Energy: 1.1945647766388174
Energy: 1.2148974336439697
Energy: 1.1945647766388174
Energy: 1.2393502746726266
Energy: 1.1945647766388174
Energy: 1.2219133099275221
Energy: 1.2471564142151121
Energy: 1.3012203206519772
Energy: 1.2471564142151121
Energy: 1.2219133099275221
Energy: 1.2471564142141358
Energy: 1.2376486733335863
Energy: 1.3436863439804843
Energy: 1.2151058563059618
Energy: 1.3436863439795081
Energy: 1.2376486733335863
Energy: 1.3436863439795081
Energy: 1.2386268434704566
Energy: 1.3299519949041978
Energy: 1.1965101867749806
Energy: 1.3299519949041978
Energy: 1.2386268434704566
Energy: 1.3299519949041978
Energy: 1.2099925220125056
Energy: 1.3673045532853905
Energy: 1.2186348044739583
Energy: 1.3673045532853905
Energy: 1.2099925220125056
Energy: 1.3673045532853905
Energy: 1.2356770565153485
Energy: 1.2409525183424368
Energy: 1.1944731766569021
Energy: 1.2409525183424368
Energy: 1.2356770565153485
Energy: 1.2409525183424368
Energy: 1.2100933273893448
Energy: 1.3675409991558243
Energy: 1.2186372379492556
Energy: 1.367540999154848
Energy: 1.2100933273893448
Energy: 1.367540999154848
Energy: 1.2386033514412833
Energy: 1.2946449120709707
Energy: 1.2073052202931214
Energy: 1.2946449120699943
Energy: 1.2386033514412833
Energy: 1.2946449120699943
Energy: 1.2332420695041784
Energy: 1.2946269210260726
Energy: 1.2152733424642959
Energy: 1.2946269210260726
Energy: 1.2332420695041784
Energy: 1.2946269210260726
Energy: 1.2229474431926755
Energy: 1.359158771632827
Energy: 1.3013269746050034
Energy: 1.359158771632827
Energy: 1.2229474431926755
Energy: 1.359158771632827
Energy: 1.2738595795569712
Energy: 1.2150689153241696
Energy: 1.215126536778181
Energy: 1.2150689153241696
Energy: 1.2738595795569712
Energy: 1.2150689153241696
Energy: 1.2814010724026992
Energy: 1.218541897889072
Energy: 1.2160209121568697
Energy: 1.218541897889072
Energy: 1.2814010724026992
Energy: 1.218541897889072
Energy: 1.2523846574226478
Energy: 1.359208719005774
Energy: 1.253227310477184
Energy: 1.3592087190067503
Energy: 1.2523846574226478
Energy: 1.3592087190067503
Energy: 1.2273430410463437
Energy: 1.213479282345164
Energy: 1.2150072682918431
Energy: 1.213479282345164
Energy: 1.2273430410463437
Energy: 1.213479282345164
Energy: 1.2433863512804402
Energy: 1.2304409646554728
Energy: 1.2612398314936428
Energy: 1.2304409646544965
Energy: 1.2433863512804402
Energy: 1.2304409646554728
Energy: 1.2183073342095199
Energy: 1.367375250031035
Energy: 1.2306459903197309
Energy: 1.367375250031035
Energy: 1.2183073342095199
Energy: 1.367375250031035
Energy: 1.2180328521008215
Energy: 1.3962004277345965
Energy: 1.23310242687179
Energy: 1.3962004277345965
Energy: 1.2180328521008215
Energy: 1.3962004277345965

minimum gb energy = 1.1944731766569021 eV
minimum distance =  2.20709385861313 Angstroms
sigma value = 101


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

Energy: 1.3358008488912894
Energy: 1.2507191545782166
Energy: 1.282298905463164
Energy: 1.2507191545790748
Energy: 1.3358008488912894
Energy: 1.2507191545782166
Energy: 1.1917250980777574
Energy: 1.17219810024107
Energy: 1.1893359023521899
Energy: 1.1721981002402115
Energy: 1.1917250980777574
Energy: 1.1721981002402115
Energy: 1.1661162726262049
Energy: 1.1596902088523038
Energy: 1.1902192181066
Energy: 1.1596902088523038
Energy: 1.1661162726262049
Energy: 1.1596902088523038
Energy: 1.1900460807614355
Energy: 1.16661289189361
Energy: 1.184387746166834
Energy: 1.16661289189361
Energy: 1.1900460807605775
Energy: 1.1666128918944683
Energy: 1.1599976044518385
Energy: 1.2449975376770734
Energy: 1.1662268532872213
Energy: 1.2449975376762152
Energy: 1.1599976044518385
Energy: 1.2449975376770734
Energy: 1.1662528442106024
Energy: 1.3473529605246306
Energy: 1.1607393846609588
Energy: 1.3473529605246306
Energy: 1.1662528442106024
Energy: 1.3473529605246306
Energy: 1.1662552968349407
Energy: 1.38495532466417
Energy: 1.1598735784845124
Energy: 1.38495532466417
Energy: 1.1662552968349407
Energy: 1.38495532466417
Energy: 1.1654099592637044
Energy: 1.3847109820914218
Energy: 1.1655530978077164
Energy: 1.38471098209228
Energy: 1.1654099592637044
Energy: 1.38471098209228
Energy: 1.1598459728385033
Energy: 1.3474730194576068
Energy: 1.1663873043817308
Energy: 1.3474730194576068
Energy: 1.1598459728385033
Energy: 1.3474730194576068
Energy: 1.1591643315224645
Energy: 1.2670821485305024
Energy: 1.1595788440050308
Energy: 1.2670821485305024
Energy: 1.1591643315224645
Energy: 1.2670821485305024
Energy: 1.206945914655316
Energy: 1.3388987216688153
Energy: 1.2369995930880948
Energy: 1.3388987216688153
Energy: 1.206945914655316
Energy: 1.3388987216688153
Energy: 1.1892954840020395
Energy: 1.159849304704954
Energy: 1.1605094052482834
Energy: 1.159849304704954
Energy: 1.1892954840020395
Energy: 1.159849304704954
Energy: 1.190325545204346
Energy: 1.3686230447843064
Energy: 1.1593592388357943
Energy: 1.3686230447843064
Energy: 1.190325545204346
Energy: 1.3686230447843064
Energy: 1.182221509975197
Energy: 1.1784126815329423
Energy: 1.189986011469595
Energy: 1.1784126815329423
Energy: 1.182221509975197
Energy: 1.1784126815329423
Energy: 1.1592060150632593
Energy: 1.2529808213432287
Energy: 1.1891901626106975
Energy: 1.2529808213423703
Energy: 1.1592060150632593
Energy: 1.2529808213423703
Energy: 1.21460718533805
Energy: 1.1604770080723643
Energy: 1.1656351498751822
Energy: 1.1604770080715059
Energy: 1.21460718533805
Energy: 1.1604770080715059
Energy: 1.1597859968502529
Energy: 1.179656443742007
Energy: 1.1603499157112889
Energy: 1.179656443742865
Energy: 1.1597859968502529
Energy: 1.179656443742007
Energy: 1.1674543561026478
Energy: 1.1665001389110696
Energy: 1.15927289085158
Energy: 1.1665001389110696
Energy: 1.1674543561026478
Energy: 1.1665001389110696
Energy: 1.1725065197601396
Energy: 1.3421315836395105
Energy: 1.165658312140457
Energy: 1.3421315836395105
Energy: 1.1725065197601396
Energy: 1.3421315836395105
Energy: 1.1596030123567784
Energy: 1.2088308318377008
Energy: 1.1591044325517015
Energy: 1.2088308318377008
Energy: 1.1596030123567784
Energy: 1.2088308318377008
Energy: 1.1800113698023196
Energy: 1.1803109752301928
Energy: 1.1659114357242937
Energy: 1.1803109752301928
Energy: 1.1800113698023196
Energy: 1.1803109752301928
Energy: 1.160617685546761
Energy: 1.3447377363862854
Energy: 1.1591258578805286
Energy: 1.3447377363862854
Energy: 1.160617685546761
Energy: 1.3447377363862854
Energy: 1.1657699121285012
Energy: 1.3455652052990317
Energy: 1.1597228631328083
Energy: 1.3455652052990317
Energy: 1.1657699121285012
Energy: 1.3455652052981735
Energy: 1.1900410594942286
Energy: 1.1799858931043756
Energy: 1.2069848931380256
Energy: 1.1799858931043756
Energy: 1.1900410594933701
Energy: 1.1799858931043756
Energy: 1.159876358960151
Energy: 1.2442526848835573
Energy: 1.1591904441749727
Energy: 1.2442526848835573
Energy: 1.159876358960151
Energy: 1.2442526848835573
Energy: 1.175638746286061
Energy: 1.1601279176782318
Energy: 1.2146758608832382
Energy: 1.1601279176782318
Energy: 1.175638746286061
Energy: 1.1601279176790897
Energy: 1.1895676173896583
Energy: 1.159678348447131
Energy: 1.1595039232386668
Energy: 1.159678348447131
Energy: 1.1895676173896583
Energy: 1.159678348447131
Energy: 1.189092002245907
Energy: 1.1595747141516317
Energy: 1.161496114500112
Energy: 1.1595747141516317
Energy: 1.189092002245907
Energy: 1.1595747141516317
Energy: 1.2186071212372906
Energy: 1.1604399264559542
Energy: 1.2646136754195774
Energy: 1.1604399264559542
Energy: 1.2186071212372906
Energy: 1.1604399264559542
Energy: 1.1592217900775272
Energy: 1.160716084957756
Energy: 1.1614182013464236
Energy: 1.160716084957756
Energy: 1.1592217900775272
Energy: 1.160716084957756
Energy: 1.1595749720205297
Energy: 1.181326688212351
Energy: 1.1654785082467265
Energy: 1.1813266882132092
Energy: 1.1595749720213877
Energy: 1.1813266882132092
Energy: 1.175611588431934
Energy: 1.3452459323067534
Energy: 1.1609236892734531
Energy: 1.3452459323067534
Energy: 1.175611588431934
Energy: 1.3452459323067534
Energy: 1.1597885321005088
Energy: 1.2065648978179524
Energy: 1.1658011611420667
Energy: 1.2065648978188108
Energy: 1.1597885321005088
Energy: 1.2065648978179524

minimum gb energy = 1.1591044325517015 eV
minimum distance =  2.23406820406224 Angstroms
sigma value = 33


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

Energy: 0.015080964317458789
Energy: 0.015974754817072487
Energy: 1.1957385412890422
Energy: 0.015974754817072487
Energy: 0.015080964317458789
Energy: 0.015974754817072487
Energy: 0.015668386870048286
Energy: 0.6827346160449277
Energy: 0.015668386870048286
Energy: 0.6827346160449277
Energy: 0.015668386870048286
Energy: 0.6827346160449277
Energy: 1.1957385412890422
Energy: 0.015974754817072487
Energy: 0.015080964317458789
Energy: 0.015974754817072487
Energy: 1.1957385412890422
Energy: 0.015974754817072487
Energy: 0.015668386870048286
Energy: 0.6827346160449277
Energy: 0.015668386870048286
Energy: 0.6827346160449277
Energy: 0.015668386870048286
Energy: 0.6827346160449277

minimum gb energy = 0.015080964317458789 eV
minimum distance =  2.44793695102027 Angstroms
sigma value = 1