Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
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=4.2903370704706045
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7044595903145597e-19, 2.3866343575390797e-19, 3.3934902196437003e-19, 3.9069557873080197e-19, 4.3337115555402594e-19, 4.69865534923278e-19, 5.014460385560519e-19, 5.289810461879759e-19, 5.531002132362119e-19, 5.74282590514326e-19, 5.92895076471504e-19, 6.092340737850359e-19, 6.23541511126656e-19, 6.3601285404571195e-19, 6.46817933265408e-19, 6.560977403295359e-19, 6.63975642838914e-19, 6.705557822747519e-19, 6.759342892350899e-19, 6.8018967037499395e-19, 6.833956258196279e-19, 6.856178448109859e-19, 6.86912403531258e-19, 6.87333775986e-19, 6.86881962175212e-19, 6.8544320755788e-19, 6.8285248794070195e-19, 6.788854985949179e-19, 6.73285891259088e-19, 6.657588654325559e-19, 6.5595995313901195e-19, 6.434693841003479e-19, 6.277824726768539e-19, 6.082855852177079e-19, 5.842160856451259e-19, 5.54636700628218e-19, 5.183794434007979e-19, 4.739815266960239e-19, 4.1958442561845597e-19, 3.52813714396506e-19, 2.7059481606952796e-19, 1.6890146075628e-19, 4.2371163262763994e-20, -1.162414395852948e-19, -3.17106003754548e-19, -5.75384888038518e-19, -9.14871697193412e-19, -1.37499599818197e-18, -2.0254717007027998e-18, -3.0000437036323195e-18, -4.5841477852008e-18, -7.462329934051079e-18, -1.3498482337347059e-17, -2.85136171199712e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013302402857305025
Energy: 0.014177566134425036
Energy: 0.21476344497280037
Energy: 0.2148326422293935
Energy: 0.21580676555942224
Energy: 0.013552191510275702
Energy: 0.014177566134425036
Energy: 1.1015563000922852
Energy: 0.2148532908831526
Energy: 0.21475463185390428
Energy: 0.2148799852759435
Energy: 0.21478054214462844
Energy: 0.21476344497330457
Energy: 0.2148532908831526
Energy: 1.1033137326715448
Energy: 0.013524657104603365
Energy: 0.21480337084197684
Energy: 0.21477724001203685
Energy: 0.2148326422293935
Energy: 0.21475463185390428
Energy: 0.013524657104603365
Energy: 0.013480647869290537
Energy: 0.21542163812436818
Energy: 0.2147992116821528
Energy: 0.21580676555894607
Energy: 0.2148799852764477
Energy: 0.21480337084197684
Energy: 0.21542163812436818
Energy: 1.1013118196025276
Energy: 0.21477969875963346
Energy: 0.013552191510275702
Energy: 0.21478054214462844
Energy: 0.21477724001203685
Energy: 0.2147992116821528
Energy: 0.21477969875963346
Energy: 0.013467881781826048

minimum gb energy = 0.013302402857305025 eV
minimum distance =  2.46801910823427 Angstroms
sigma value = 1


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

Energy: 1.8633276632505626
Energy: 1.1965267466011231
Energy: 1.201143348101719
Energy: 1.2181890314242445
Energy: 1.2004910446383021
Energy: 1.1964731056240228
Energy: 1.2247621641358737
Energy: 1.2219601906656505
Energy: 1.195657040360251
Energy: 1.1699443699565166
Energy: 1.1954745347664686
Energy: 1.1965858871388813
Energy: 1.172158915298829
Energy: 1.1985800519977243
Energy: 1.2230050455803638
Energy: 1.2094117471453238
Energy: 1.1989836032893362
Energy: 1.2005173002625211
Energy: 1.2104869243826462
Energy: 1.194833457574366
Energy: 1.210167480300267
Energy: 1.2635349881138032
Energy: 1.1945708756934192
Energy: 1.1969152565807928
Energy: 1.2436252590744177
Energy: 1.1947134540528883
Energy: 1.1963457695838926
Energy: 1.2450251445250953
Energy: 1.196493084938934
Energy: 1.1959749905172548
Energy: 1.211332022744913
Energy: 1.2076030262402733
Energy: 1.2087493940448366
Energy: 1.1951707893775676
Energy: 1.2084241501983186
Energy: 1.207685596592445
Energy: 1.2121869894208621
Energy: 1.2076083535903124
Energy: 1.2084309393334607
Energy: 1.2640779858242113
Energy: 1.2082668423744747
Energy: 1.2077839935621637
Energy: 1.1698775558858625
Energy: 1.170466331881781
Energy: 1.2022703376120747
Energy: 1.1733002780014694
Energy: 1.2088612820058646
Energy: 1.1701675877272701
Energy: 1.1673617493467865
Energy: 1.2081693297918075
Energy: 1.2088645394388675
Energy: 1.2170137939995265
Energy: 1.208699077714111
Energy: 1.226375734830559
Energy: 1.1712001625765667
Energy: 1.207573253292168
Energy: 1.2085205019628855
Energy: 1.1972601992202663
Energy: 1.2085382041058408
Energy: 1.2061446626225774
Energy: 1.171088513447524
Energy: 1.2405811903957138
Energy: 1.1954130648613055
Energy: 1.1713352450205248
Energy: 1.1946456420429665
Energy: 1.1698926641918292
Energy: 1.2097778280096125
Energy: 1.1952502969226064
Energy: 1.195351776678669
Energy: 1.2529971127246429
Energy: 1.1954319554130621
Energy: 1.1951949487750995
Energy: 1.2173323241725653
Energy: 1.1953437667656723
Energy: 1.1954382920438589
Energy: 1.2527109548043704
Energy: 1.1955604754583964
Energy: 1.1956266011374628
Energy: 1.17022385433071
Energy: 1.1957627547862901
Energy: 1.1950506687821325
Energy: 1.1722064572515118
Energy: 1.1948769297244812
Energy: 1.1979553286913611
Energy: 1.2099356603863487
Energy: 1.194451464850789
Energy: 1.1946979826180344
Energy: 1.1980189171354652
Energy: 1.1945248295668607
Energy: 1.2099767531784975
Energy: 1.2099687322656645
Energy: 1.198786875815968
Energy: 1.1973660865640083
Energy: 1.2109829878923646
Energy: 1.197049420140276
Energy: 1.1988668760422376
Energy: 1.1746189100736737
Energy: 1.1954253913283468
Energy: 1.1720467768148382
Energy: 1.1705670465971074
Energy: 1.207425615736344
Energy: 1.1966671354755762
Energy: 1.2171984648349254
Energy: 1.2084443980003474
Energy: 1.2079384845367644
Energy: 1.2080202068915604
Energy: 1.2080863137073492
Energy: 1.208699120326044
Energy: 1.2189419326370488
Energy: 1.2087465306153902
Energy: 1.228605815595385
Energy: 1.2105410697018335
Energy: 1.207895922613875
Energy: 1.2081419252092793
Energy: 1.2429578801365029
Energy: 1.20884435631233
Energy: 1.1713320131486578
Energy: 1.2182218035157677
Energy: 1.2074115326461103
Energy: 1.1961048528305218
Energy: 1.2179945110012944
Energy: 1.2084611449045684
Energy: 1.2060814553323094
Energy: 1.2060427594802443
Energy: 1.2075460089741294
Energy: 1.2084569287328801
Energy: 1.1731470901221341
Energy: 1.2087204630866175
Energy: 1.2078817206687595
Energy: 1.169559012746478
Energy: 1.2082729789374915
Energy: 1.2008457199151106
Energy: 1.2959932852181746
Energy: 1.2219286139027261
Energy: 1.1951086630072594
Energy: 1.217039607415683
Energy: 1.1955848287259447
Energy: 1.2483821113536289

minimum gb energy = 1.1673617493467865 eV
minimum distance =  2.20555007370894 Angstroms
sigma value = 33


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

Energy: 1.2876399978914064
Energy: 1.265167632870231
Energy: 1.2566178993175554
Energy: 1.2496532746874693
Energy: 1.256361752794136
Energy: 1.2648947913818804
Energy: 1.2546217980580372
Energy: 1.2649843344729421
Energy: 1.247985171163859
Energy: 1.2531414777511114
Energy: 1.247778648797048
Energy: 1.266604263964403
Energy: 1.3415425713544353
Energy: 1.2648124775030813
Energy: 1.3111092544595766
Energy: 1.2368236174790523
Energy: 1.265457968115136
Energy: 1.2660475889237186
Energy: 1.314089343827101
Energy: 1.2638298028039814
Energy: 1.2631025570122307
Energy: 1.2357603095208338
Energy: 1.2628196419597633
Energy: 1.264652827616365
Energy: 1.3472265554038239
Energy: 1.2629937134165998
Energy: 1.2435213196387866
Energy: 1.3451218335932182
Energy: 1.2755896562021258
Energy: 1.2640611675354414
Energy: 1.248390781551077
Energy: 1.2699466271573723
Energy: 1.269931494179463
Energy: 1.2446186566551385
Energy: 1.2709224036273787
Energy: 1.2695350015076812
Energy: 1.247785750604753
Energy: 1.2705961377873753
Energy: 1.270005422407137
Energy: 1.267579677308392
Energy: 1.2703169195516664
Energy: 1.2698451719165245
Energy: 1.2737649214729563
Energy: 1.2448527451719262
Energy: 1.2464719914614866
Energy: 1.2446110812529998
Energy: 1.2710318012322082
Energy: 1.2445256606566475
Energy: 1.2571191269933175
Energy: 1.2655022182472908
Energy: 1.2668124862479755
Energy: 1.3157081978243017
Energy: 1.264219702062501
Energy: 1.276911241494201
Energy: 1.2169831539314586
Energy: 1.263008605323523
Energy: 1.2639917969651682
Energy: 1.2894127758996832
Energy: 1.263122616224063
Energy: 1.2593437837924624
Energy: 1.3135625640673225
Energy: 1.2437391353437353
Energy: 1.2643342078340503
Energy: 1.3278512241025622
Energy: 1.2629544457749424
Energy: 1.243562680157566
Energy: 1.2457527579074543
Energy: 1.2439923624462965
Energy: 1.244598950146282
Energy: 1.2354383237717244
Energy: 1.2438249424403172
Energy: 1.2441379438129212
Energy: 1.236319410917303
Energy: 1.24364676635609
Energy: 1.244864770207677
Energy: 1.234652125144662
Energy: 1.2439423656619852
Energy: 1.2442147154843355
Energy: 1.2486323961027332
Energy: 1.219488446976038
Energy: 1.2644525880693842
Energy: 1.343468755602016
Energy: 1.2632097445773962
Energy: 1.2203210080286047
Energy: 1.2451491560482801
Energy: 1.2655378471676797
Energy: 1.2666953149391222
Energy: 1.2891053018361514
Energy: 1.2666937639141742
Energy: 1.2656282545775792
Energy: 1.2386011300960778
Energy: 1.2665011351019706
Energy: 1.2682222421527367
Energy: 1.315888639392611
Energy: 1.268122494621236
Energy: 1.270066020806506
Energy: 1.2481559405562694
Energy: 1.2194966777460963
Energy: 1.2645239862987119
Energy: 1.3384105619089475
Energy: 1.2668837227507994
Energy: 1.2194196217177464
Energy: 1.2221629473858409
Energy: 1.2654715299418207
Energy: 1.265860668918657
Energy: 1.4017748537031076
Energy: 1.2660830864509072
Energy: 1.266463323810845
Energy: 1.2190985087511366
Energy: 1.2656053139362564
Energy: 1.266149600346681
Energy: 1.2627252876184745
Energy: 1.2665871601988263
Energy: 1.2656757683287996
Energy: 1.2465158809904495
Energy: 1.2438146472219436
Energy: 1.2643466602311833
Energy: 1.3620203768817283
Energy: 1.2630613251948488
Energy: 1.2442880349084129
Energy: 1.23841037387594
Energy: 1.2447340529285225
Energy: 1.2581404679090478
Energy: 1.2542104502118283
Energy: 1.2443002636007212
Energy: 1.2447537040371748
Energy: 1.2465892792007736
Energy: 1.2464458798604678
Energy: 1.2683036637538267
Energy: 1.243727698373661
Energy: 1.2527661171784061
Energy: 1.2461053085502607
Energy: 1.3432530948746377
Energy: 1.3026891792843653
Energy: 1.2689125347338883
Energy: 1.337301070415023
Energy: 1.2679903613136696
Energy: 1.2707643673932618
Energy: 1.2350459696351357
Energy: 1.2660024364825821
Energy: 1.2685849646078542
Energy: 1.286120543433911
Energy: 1.266626716273484
Energy: 1.2691099597860136
Energy: 1.34504622607879
Energy: 1.2783267027759802
Energy: 1.265198423829661
Energy: 1.2853458556836723
Energy: 1.2647576505799567
Energy: 1.2719209741784951
Energy: 1.2461267993121339
Energy: 1.269476312856744
Energy: 1.2696334852499591
Energy: 1.2441775525511085
Energy: 1.2702742546109214
Energy: 1.2465526084309073
Energy: 1.257873377712175
Energy: 1.2700692862997254
Energy: 1.269579258294518
Energy: 1.2778298555169543
Energy: 1.2699999180258763
Energy: 1.2695058756362294
Energy: 1.2464164581954282
Energy: 1.270051122540211
Energy: 1.2542769051007974
Energy: 1.2556759600543272
Energy: 1.271097078173596
Energy: 1.2441632820671484
Energy: 1.3154182619391694
Energy: 1.268208297848072
Energy: 1.279801233778253
Energy: 1.2535385036054008
Energy: 1.2685090630918727
Energy: 1.268572258208459
Energy: 1.3153916949620117
Energy: 1.2670862918924004
Energy: 1.2609334590642096
Energy: 1.2693474914491645
Energy: 1.2653484541902642
Energy: 1.267042617817477
Energy: 1.3279955756732134
Energy: 1.2645232113351386
Energy: 1.2702739827188105
Energy: 1.312341606596032
Energy: 1.2648148244466044
Energy: 1.2665326984558647
Energy: 1.3128970454246371
Energy: 1.245534416560672
Energy: 1.2443753673240365
Energy: 1.2455471979980364
Energy: 1.2448802810969197
Energy: 1.3367427703152415
Energy: 1.2360152260983808
Energy: 1.2436384645723828
Energy: 1.2436608345498061
Energy: 1.2372457628194462
Energy: 1.2435754342122132
Energy: 1.2634481747135151
Energy: 1.3464415891824182
Energy: 1.2628445420838934
Energy: 1.243389961402424
Energy: 1.2469825818002893
Energy: 1.2441567930176354
Energy: 1.2639580609377152
Energy: 1.3447989979773396
Energy: 1.2659940244904349
Energy: 1.2654472250951865
Energy: 1.2450095468341547
Energy: 1.2655539032854037
Energy: 1.2655963692439318
Energy: 1.315244582987914
Energy: 1.266130656850628
Energy: 1.2655414640948677
Energy: 1.2386063222781378
Energy: 1.2655402904492183
Energy: 1.298394783023021
Energy: 1.3408000589758902
Energy: 1.2635119436628302
Energy: 1.2192753462207981
Energy: 1.2187037729262131
Energy: 1.2193157775150212
Energy: 1.336924340153961
Energy: 1.3158795464398232
Energy: 1.2667513797916474
Energy: 1.265875239275031
Energy: 1.2205730525832679
Energy: 1.265865750352711
Energy: 1.2664482474173602
Energy: 1.3443817249267536
Energy: 1.2661327848595298
Energy: 1.2654090535881195
Energy: 1.218348716508018
Energy: 1.2654840207781328
Energy: 1.2656151082443479
Energy: 1.3469140284813337
Energy: 1.2628114396847525
Energy: 1.244830431010105
Energy: 1.247203797187701
Energy: 1.2437919754200062
Energy: 1.2634184790512275
Energy: 1.2531933186101616
Energy: 1.244167203371957
Energy: 1.2439258719379145
Energy: 1.236686526185072
Energy: 1.2439880305141962
Energy: 1.2608563005501874

minimum gb energy = 1.2169831539314586 eV
minimum distance =  2.21022877712232 Angstroms
sigma value = 51


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

Energy: 2.2793707435183426
Energy: 1.2795942481033675
Energy: 1.2897628542139232
Energy: 1.2778467406544065
Energy: 1.2897784951801345
Energy: 1.2798785604243461
Energy: 1.2184302799585651
Energy: 1.2930302140308443
Energy: 1.2758230435803664
Energy: 1.2721693749876948
Energy: 1.2813580317969964
Energy: 1.275018113300049
Energy: 1.3610711552985637
Energy: 1.2719546699011401
Energy: 1.2933635592822554
Energy: 1.272037207212432
Energy: 1.2717921668336665
Energy: 1.2719674409051258
Energy: 1.3508123257660065
Energy: 1.2717889133872973
Energy: 1.270670184655038
Energy: 1.3563249963000379
Energy: 1.270921676687891
Energy: 1.2719462839972362
Energy: 1.3603140680664971
Energy: 1.2723740590790886
Energy: 1.2859615174273864
Energy: 1.2796723113317552
Energy: 1.2857787451396232
Energy: 1.2732024888978277
Energy: 1.3613187959997615
Energy: 1.2889791596113154
Energy: 1.2722191398294784
Energy: 1.2712626939950868
Energy: 1.2877188639758959
Energy: 1.2880039464947608
Energy: 1.361268717285713
Energy: 1.2888889965055839
Energy: 1.288499125564141
Energy: 1.4742557002474763
Energy: 1.2887179202504513
Energy: 1.288000522336177
Energy: 1.3520809557295288
Energy: 1.288622822898816
Energy: 1.2724516152996002
Energy: 1.2714112931609132
Energy: 1.2885812127292045
Energy: 1.289363335724189
Energy: 1.2157862259070804
Energy: 1.2883471457127975
Energy: 1.2725144935131116
Energy: 1.3494863919301585
Energy: 1.272076670294791
Energy: 1.317546364598301
Energy: 1.2144404378267069
Energy: 1.2708820578693076
Energy: 1.2721811839677843
Energy: 1.2722604734845153
Energy: 1.2718534269799422
Energy: 1.2719380963863567
Energy: 1.3520813271714809
Energy: 1.2860388147744655
Energy: 1.2738289828656626
Energy: 1.2732733269133367
Energy: 1.2749285930954732
Energy: 1.2710574888424917
Energy: 1.3636115495722803
Energy: 1.270909528857426
Energy: 1.2706283529904057
Energy: 1.3568793058761155
Energy: 1.270518753028524
Energy: 1.2709890424096413
Energy: 1.3481345535176872
Energy: 1.2708926230267883
Energy: 1.2712383311348892
Energy: 1.2733643183778436
Energy: 1.270610296221267
Energy: 1.2712947203718488
Energy: 1.3635805867546367
Energy: 1.2852676813361135
Energy: 1.2740263063033426
Energy: 1.2720796586195924
Energy: 1.2740904186826916
Energy: 1.2703247914632478
Energy: 1.3607943347155682
Energy: 1.2864963911226166
Energy: 1.286549458038377
Energy: 1.2760670070162305
Energy: 1.2864501746472323
Energy: 1.2865120267839691
Energy: 1.3606369205014757
Energy: 1.286387370087388
Energy: 1.286898782321305
Energy: 1.477349181692255
Energy: 1.2869192088862387
Energy: 1.2712351181446495
Energy: 1.3630960967339945
Energy: 1.2742278608252653
Energy: 1.2744992849403476
Energy: 1.2717992654370964
Energy: 1.2745901776887387
Energy: 1.2744345063189064
Energy: 1.2195597468963908
Energy: 1.2711128010248745
Energy: 1.2713249050503492
Energy: 1.3491000255575292
Energy: 1.2714203974918339
Energy: 1.2719837131506102

minimum gb energy = 1.2144404378267069 eV
minimum distance =  2.21142446288756 Angstroms
sigma value = 19


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

Energy: 2.072475084988129
Energy: 1.351223939935443
Energy: 1.309541810850106
Energy: 1.3094805180497606
Energy: 1.3435764395290672
Energy: 1.3518490328738435
Energy: 1.25831928196593
Energy: 1.3484561996827933
Energy: 1.3098147553593573
Energy: 1.2920478798957873
Energy: 1.3433881873957991
Energy: 1.348796884305907
Energy: 1.3224043901277405
Energy: 1.3474080610055033
Energy: 1.3463685219362451
Energy: 1.290391621634808
Energy: 1.3468693457424323
Energy: 1.3465255758947337
Energy: 1.504551865438774
Energy: 1.34795404072934
Energy: 1.3471355329815788
Energy: 1.3684755874768666
Energy: 1.347463584489888
Energy: 1.348857504365439
Energy: 1.3228376011236596
Energy: 1.3468333264570713
Energy: 1.356137521582411
Energy: 1.2916533684508884
Energy: 1.3661526091922567
Energy: 1.3466896459147004
Energy: 1.3645428467996756
Energy: 1.3467009165086703
Energy: 1.3354510619914548
Energy: 1.2911341705226185
Energy: 1.3488285517529177
Energy: 1.3469727370408922
Energy: 1.3232102140962252
Energy: 1.3469294232145934
Energy: 1.3499885322025762
Energy: 1.346483204488662
Energy: 1.3472071954103688
Energy: 1.3468606633934481
Energy: 1.3227698641754184
Energy: 1.3491952021301583
Energy: 1.33489712630746
Energy: 1.2901120288537267
Energy: 1.3496890327844455
Energy: 1.34734609594236
Energy: 1.2840055538351034
Energy: 1.3439242005514471
Energy: 1.308818116607992
Energy: 1.2901423808632937
Energy: 1.3088227344642873
Energy: 1.3470081212800644
Energy: 1.2837950391963089
Energy: 1.3086763337386729
Energy: 1.3095576096989485
Energy: 1.3303050582591254
Energy: 1.3094031009069838
Energy: 1.3489431177863858
Energy: 1.329294203361398
Energy: 1.3591299185228043
Energy: 1.3403164757125896
Energy: 1.3276278166313846
Energy: 1.3458090026515304
Energy: 1.3712055176150761
Energy: 1.3219341479148157
Energy: 1.3479212642078873
Energy: 1.349229604498925
Energy: 1.3692006851240177
Energy: 1.3484955630106998
Energy: 1.3468881642298678
Energy: 1.5972234905347107
Energy: 1.3498429770533893
Energy: 1.3492845059296958
Energy: 1.3690956448153835
Energy: 1.3496326733667183
Energy: 1.3485970400008662
Energy: 1.3212970230180188
Energy: 1.3476030062596682
Energy: 1.346944942995061
Energy: 1.322809633988156
Energy: 1.3487249395359513
Energy: 1.3237574085298756
Energy: 1.3267370981687578
Energy: 1.3091416921200534
Energy: 1.3669588869784288
Energy: 1.2576165996381834
Energy: 1.3430042401580058
Energy: 1.308871273377562
Energy: 1.28860624617381
Energy: 1.3094752681867954
Energy: 1.3337823199932655
Energy: 1.3100324170681863
Energy: 1.3090102599375277
Energy: 1.3092995720189573
Energy: 1.2961725413028038
Energy: 1.344565044515527
Energy: 1.3641543538305627
Energy: 1.328491554440807
Energy: 1.3643000231315663
Energy: 1.3443094392359007
Energy: 1.3171193702557358
Energy: 1.3464972785389666
Energy: 1.3474348189515908
Energy: 1.3690751290489191
Energy: 1.3468956412644466
Energy: 1.3468891790540132
Energy: 1.3174186658440774
Energy: 1.3465654725833576
Energy: 1.3468539856616717
Energy: 1.4537012303375456
Energy: 1.3464210515310702
Energy: 1.366701378313763
Energy: 1.2799588982005932
Energy: 1.3529981397954514
Energy: 1.3468814719549205
Energy: 1.3380513972793626
Energy: 1.3473160572266674
Energy: 1.3175231880940637
Energy: 1.312289049968583
Energy: 1.347108458600642
Energy: 1.34702415952912
Energy: 1.504167267947795
Energy: 1.346911931892059
Energy: 1.3665481053033288
Energy: 1.3126050769735738
Energy: 1.3470211005931896
Energy: 1.3482266023310243
Energy: 1.3466521525989248
Energy: 1.3481712374149852
Energy: 1.3421873741482622
Energy: 1.279846486170337
Energy: 1.3395534102104678
Energy: 1.3469087863648126
Energy: 1.3197707063592563
Energy: 1.347798059941199
Energy: 1.3444810729358214
Energy: 1.289705948866481
Energy: 1.3086525931816737
Energy: 1.348414707480957
Energy: 1.284380691816738
Energy: 1.3084219909920232
Energy: 1.3089707289294248
Energy: 1.3268519276038746
Energy: 1.3086263148904576
Energy: 1.3443231738894657
Energy: 1.2845368125776642
Energy: 1.3087604410681213
Energy: 1.3089500510449084
Energy: 1.3230219820398297
Energy: 1.3351184305708974
Energy: 1.3467960422754182
Energy: 1.3193553997836267
Energy: 1.346837359299996
Energy: 1.3378720299754796
Energy: 1.3231825366450949
Energy: 1.3483157130474885
Energy: 1.3484658554778568
Energy: 1.3693883287937456
Energy: 1.3488111475926088
Energy: 1.347818691144415
Energy: 1.3215882047815315
Energy: 1.3478233820901473
Energy: 1.3485103595879306
Energy: 1.351236315205331
Energy: 1.3480250089862045
Energy: 1.3476090717941982
Energy: 1.3196574979575768
Energy: 1.3580233831982942
Energy: 1.3389801126986762
Energy: 1.3280268077644912
Energy: 1.3355019154822774
Energy: 1.3719247307710773
Energy: 1.3094531774722704
Energy: 1.343921112296831
Energy: 1.3091962178128809
Energy: 1.3304343272817578
Energy: 1.309089104838173
Energy: 1.333455062096623

minimum gb energy = 1.2576165996381834 eV
minimum distance =  2.18174710532365 Angstroms
sigma value = 27


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

Energy: 1.6566698872674335
Energy: 1.2821269705476324
Energy: 1.2987193264654593
Energy: 1.1767315817046888
Energy: 1.2990003366932465
Energy: 1.2825859481104207
Energy: 1.164479200037221
Energy: 1.2783658280134678
Energy: 1.2746124962721814
Energy: 1.175669967204616
Energy: 1.2758762946760875
Energy: 1.2754851779727743
Energy: 1.1956706921546876
Energy: 1.2750120285394215
Energy: 1.2749175566429856
Energy: 1.1760670787017047
Energy: 1.274975912490367
Energy: 1.2742705125426914
Energy: 1.3316855616181957
Energy: 1.276971772199216
Energy: 1.2760201505644917
Energy: 1.280412885928394
Energy: 1.2763019582082125
Energy: 1.277165400059197
Energy: 1.1785046872553187
Energy: 1.2808843904902274
Energy: 1.278844433029978
Energy: 1.1937532118761633
Energy: 1.2789718717114051
Energy: 1.2809424609220204
Energy: 1.1723445693631431
Energy: 1.2771332104284265
Energy: 1.278520225662829
Energy: 1.1774136563603288
Energy: 1.2800720069958966
Energy: 1.278633949122529
Energy: 1.1766894334563172
Energy: 1.2991159089980115
Energy: 1.282229597187475
Energy: 1.6585437492721138
Energy: 1.2985838628879138
Energy: 1.2994411720618622
Energy: 1.1748511142113147
Energy: 1.2753379338413964
Energy: 1.2768250573130022
Energy: 1.1791187021254073
Energy: 1.2797921360809916
Energy: 1.17709903659584
Energy: 1.1759466200544446
Energy: 1.2748629295166478
Energy: 1.2743856345064575
Energy: 1.1965219889041452
Energy: 1.2750385802432938
Energy: 1.2782123955241926
Energy: 1.353841471189016
Energy: 1.2762606825620053
Energy: 1.277444598100599
Energy: 1.2781114720998152
Energy: 1.2769632350472135
Energy: 1.2758573435882383
Energy: 1.1934507874303522
Energy: 1.2786704613340008
Energy: 1.2811718916622676
Energy: 1.1785701246260447
Energy: 1.2804147535124506
Energy: 1.275075146228885
Energy: 1.1766282979729692
Energy: 1.2788260351972318
Energy: 1.2770836488067672
Energy: 1.1754300590270317
Energy: 1.2766200699879038
Energy: 1.2778178414585997

minimum gb energy = 1.164479200037221 eV
minimum distance =  2.23435031622964 Angstroms
sigma value = 9


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

Energy: 1.2346147943577332
Energy: 1.3612516078656947
Energy: 1.3331535143480429
Energy: 1.3026955228633443
Energy: 1.3341580899402599
Energy: 1.3943196383003187
Energy: 1.2972637829578466
Energy: 1.4614648947011195
Energy: 1.2932045272859605
Energy: 1.2817618160464905
Energy: 1.292974108429064
Energy: 1.357019510346252
Energy: 1.281997793491465
Energy: 1.4155931812421603
Energy: 1.4149961978246153
Energy: 1.3335105040890707
Energy: 1.4151550487716085
Energy: 1.4041748218380545
Energy: 1.234795144087869
Energy: 1.4155377169706207
Energy: 1.415577818266326
Energy: 1.3136964779436582
Energy: 1.4152822736548443
Energy: 1.4145436991819305
Energy: 1.3334814744633534
Energy: 1.4147415322517756
Energy: 1.4155189661892
Energy: 1.282009881310773
Energy: 1.416044968594224
Energy: 1.4580474819647247
Energy: 1.2828237728034324
Energy: 1.2932366164152016
Energy: 1.415565201527128
Energy: 1.3166289556455373
Energy: 1.4931424526068695
Energy: 1.2933578600566455
Energy: 1.2702928794404889
Energy: 1.2934036131035342
Energy: 1.3813947581395882
Energy: 1.4031791023408633
Energy: 1.2928575263509574
Energy: 1.2939190644905774
Energy: 1.2650527452547202
Energy: 1.2931751714684059
Energy: 1.459163588577564
Energy: 1.3165311692963197
Energy: 1.492724109784554
Energy: 1.2931831956721276
Energy: 1.2808408564165514
Energy: 1.421466392488168
Energy: 1.410016874556217
Energy: 1.300367447119268
Energy: 1.4581769858365388
Energy: 1.4349837403456889
Energy: 1.2802716862889993
Energy: 1.417761880069601
Energy: 1.3977587707644321
Energy: 1.3570805214518646
Energy: 1.3976792201337025
Energy: 1.4178844878578747
Energy: 1.2733214464209186
Energy: 1.398709638131941
Energy: 1.3963919762390922
Energy: 1.2996243294719045
Energy: 1.3971007513495306
Energy: 1.4218165743579037
Energy: 1.268664176579693
Energy: 1.4414359654698812
Energy: 1.3629727879646847
Energy: 1.3380254054805136
Energy: 1.362453934710116
Energy: 1.3845824694675437
Energy: 1.3315687709381026
Energy: 1.3787920396402666
Energy: 1.3816414445732095
Energy: 1.3143872882488568
Energy: 1.3795094391742564
Energy: 1.40852298278664
Energy: 1.2686302605266158
Energy: 1.4509552805069732
Energy: 1.3647808154861862
Energy: 1.316188495491083
Energy: 1.3621436936225837
Energy: 1.3849733016008519
Energy: 1.272002597391661
Energy: 1.4983390040152518
Energy: 1.375816988860891
Energy: 1.3156339092238554
Energy: 1.3643009124898582
Energy: 1.3799006217971248
Energy: 1.3018896389065875
Energy: 1.362220748611131
Energy: 1.3683273170956651
Energy: 1.3156532648521353
Energy: 1.36328008331907
Energy: 1.37687854149058
Energy: 1.2348749386096958
Energy: 1.3617343916565643
Energy: 1.3626645273774785
Energy: 1.3240934112787417
Energy: 1.36223643131566
Energy: 1.3925687317577247
Energy: 1.3045689563433653
Energy: 1.3985520992364973
Energy: 1.3739880300670795
Energy: 1.2812452972143846
Energy: 1.3969882710247719
Energy: 1.3069901898005105
Energy: 1.282913729944379
Energy: 1.406564525122212
Energy: 1.4051074402246737
Energy: 1.3734339949331815
Energy: 1.4061659771685302
Energy: 1.4207094145655816
Energy: 1.281684064899081
Energy: 1.3997756193850432
Energy: 1.4104250886428578
Energy: 1.2934691178658204
Energy: 1.397212548925971
Energy: 1.4050691151856327
Energy: 1.2687886637278296
Energy: 1.2940854054266226
Energy: 1.4569172018684555
Energy: 1.3389640110968626
Energy: 1.4581366115271266
Energy: 1.2709212653670607
Energy: 1.2693036261877646
Energy: 1.2943106447847081
Energy: 1.3401940467631337
Energy: 1.231493431385608
Energy: 1.2932453870892222
Energy: 1.2704405303250836
Energy: 1.2981824923641234
Energy: 1.2931499775722337
Energy: 1.3931073922870105
Energy: 1.2315097794548908
Energy: 1.2924226746606748
Energy: 1.2932396516797435
Energy: 1.2813410413764554
Energy: 1.4148653396214013
Energy: 1.4176957466580917
Energy: 1.3387014543762505
Energy: 1.415680196824016
Energy: 1.2946528176425274
Energy: 1.2809340836476755
Energy: 1.4144830668137671
Energy: 1.414846725971502
Energy: 1.2758477491569113
Energy: 1.4153530917467032
Energy: 1.4442836692481251
Energy: 1.2820060261285773
Energy: 1.4150201260853592
Energy: 1.4156935178711725
Energy: 1.2340296381657332
Energy: 1.415323504496909
Energy: 1.4144590531976735
Energy: 1.3352424377923637
Energy: 1.4160422584765437
Energy: 1.2952873207152795
Energy: 1.2814403502203053
Energy: 1.2940222279983797
Energy: 1.3275075210427978
Energy: 1.3312059479359604
Energy: 1.2936342358424506
Energy: 1.2948339443862893
Energy: 1.2816196342779724
Energy: 1.2940816390343408
Energy: 1.3622252024575956
Energy: 1.2658475434275474
Energy: 1.292624076277012
Energy: 1.2928524816769797
Energy: 1.2641894841547903
Energy: 1.2926841142755603
Energy: 1.4542841540669038
Energy: 1.3371842806576075
Energy: 1.4561436566950763
Energy: 1.26943624627633
Energy: 1.270672615588426
Energy: 1.406123112159274
Energy: 1.363034633588437
Energy: 1.2990942922076618
Energy: 1.396574150934751
Energy: 1.4209233395622303
Energy: 1.282606933504864
Energy: 1.3967683716221877
Energy: 1.4126355156881456
Energy: 1.2991019837485969
Energy: 1.3989675710803837
Energy: 1.419882029631043
Energy: 1.2691620711358016
Energy: 1.402971844153053
Energy: 1.4125352991111493
Energy: 1.3014764323929227
Energy: 1.3646132044168586
Energy: 1.3986259316846537
Energy: 1.2729115148213994
Energy: 1.4013590981090454
Energy: 1.3633565338085984
Energy: 1.315209638466489
Energy: 1.3637127065808843
Energy: 1.3629153743446525
Energy: 1.2638188898963723
Energy: 1.363318344937015
Energy: 1.3623860760980946
Energy: 1.3599282950615144
Energy: 1.362428445422746
Energy: 1.3620088591394701
Energy: 1.2991961504023857
Energy: 1.3618931493001465
Energy: 1.3566747041697722
Energy: 1.3127733093287892
Energy: 1.3925166464169263
Energy: 1.3772781096104139
Energy: 1.3059947273168389
Energy: 1.498041540125597
Energy: 1.3149957827366099
Energy: 1.361996587851562
Energy: 1.362585808223903
Energy: 1.4533839186689679
Energy: 1.2342018147111944
Energy: 1.3614550005164423
Energy: 1.3820250886363354
Energy: 1.3142000979952417
Energy: 1.3632372877834353
Energy: 1.3778226074930373
Energy: 1.2963345219186424
Energy: 1.3634271656258625
Energy: 1.3636960975730257
Energy: 1.302048414604988
Energy: 1.3639924021489038
Energy: 1.4009685155369695
Energy: 1.27265324221703
Energy: 1.4020049612132757
Energy: 1.2944178077598874
Energy: 1.3320780643683918
Energy: 1.3981649001673104
Energy: 1.4028971243376196
Energy: 1.269427066844792
Energy: 1.4021176866817016
Energy: 1.3970308075779772
Energy: 1.301856364339766
Energy: 1.3964164216892294
Energy: 1.3966766334487235
Energy: 1.2847856763914218
Energy: 1.3972009944016437
Energy: 1.398297723074665
Energy: 1.3383231382907321
Energy: 1.4557220601166314
Energy: 1.4050235993272258
Energy: 1.2707432780268435
Energy: 1.4072600937254591
Energy: 1.327814256829337
Energy: 1.2310937714251395
Energy: 1.293757170782707
Energy: 1.292920113604567
Energy: 1.26384158192307
Energy: 1.2927549326467542
Energy: 1.4076522151574407

minimum gb energy = 1.2310937714251395 eV
minimum distance =  2.19420539041814 Angstroms
sigma value = 57


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

Energy: 2.3842431739776906
Energy: 1.3651503720300102
Energy: 1.1185898580690734
Energy: 1.1206767917450813
Energy: 1.3058528100153348
Energy: 1.3653857797111444
Energy: 1.1120924990232972
Energy: 1.3618507547363423
Energy: 1.2646850363028799
Energy: 1.1163362405107833
Energy: 1.2652246528638926
Energy: 1.3683288416141275
Energy: 1.11777194461994
Energy: 1.371746119931495
Energy: 1.371411960688445
Energy: 1.1192115306829489
Energy: 1.3739438077746182
Energy: 1.2678618336184164
Energy: 1.1135135252706547
Energy: 1.3718076407702724
Energy: 1.3726888335877172
Energy: 1.1190777550018345
Energy: 1.3725591913069577
Energy: 1.1156417493491178
Energy: 1.1133602805650689
Energy: 1.372243993001106
Energy: 1.3718212820262292
Energy: 1.1185260090552445
Energy: 1.3725938922734782
Energy: 1.300185333910046
Energy: 1.1156254659092575
Energy: 1.2645827602157764
Energy: 1.3732304436487046
Energy: 1.1186969689315975
Energy: 1.2649703324835317
Energy: 1.2637135429931934
Energy: 1.1487281416521982
Energy: 1.27205295901979
Energy: 1.2754255189686323
Energy: 1.2975342241665366
Energy: 1.273381619087312
Energy: 1.2744465357298493
Energy: 1.1178483065089388
Energy: 1.2649253863121095
Energy: 1.3671617200112458
Energy: 1.2661688114209595
Energy: 1.2657163576997097
Energy: 1.2647342464735496
Energy: 1.1468805316375053
Energy: 1.2710923237809473
Energy: 1.3719064928941072
Energy: 1.119619532711639
Energy: 1.3672729663259806
Energy: 1.1465348194311014
Energy: 1.1471926873746505
Energy: 1.2687452627899218
Energy: 1.3623527747491788
Energy: 1.111417765806138
Energy: 1.2666600845678604
Energy: 1.1468894709025377
Energy: 1.1167796596053619
Energy: 1.266491251117124
Energy: 1.3598450424455364
Energy: 1.1109266285921577
Energy: 1.2650275136898947
Energy: 1.1179806581810718
Energy: 1.1182730387251956
Energy: 1.3711111289320481
Energy: 1.3613277522104734
Energy: 1.1183683179892177
Energy: 1.3713536649653084
Energy: 1.271339728403461
Energy: 1.1173421259455816
Energy: 1.3718167886298225
Energy: 1.2998552077758325
Energy: 1.2708772854108956
Energy: 1.3717966567243405
Energy: 1.3727023264404319
Energy: 1.1178362637217416
Energy: 1.371302588448009
Energy: 1.3723291297245748
Energy: 1.1131941162003318
Energy: 1.37302513849456
Energy: 1.371175241728954
Energy: 1.1185594655123385
Energy: 1.371311226360015
Energy: 1.2685217758582938
Energy: 1.1188915472408063
Energy: 1.2679224728664034
Energy: 1.360821635658359
Energy: 1.1081100701050444
Energy: 1.2661335730745717
Energy: 1.2714750284222367
Energy: 1.117867326546824
Energy: 1.2703617390700868
Energy: 1.2974172657230842
Energy: 1.1079214895043086
Energy: 1.2645402231197103
Energy: 1.2653992603075996
Energy: 1.1505167273487604
Energy: 1.2650286681850889
Energy: 1.3606867854359523
Energy: 1.117870630699626
Energy: 1.364058032565688
Energy: 1.2729076556183903
Energy: 1.1458131745112434
Energy: 1.27310484178974
Energy: 1.360473516724125
Energy: 1.111350061273804
Energy: 1.3600963766626206
Energy: 1.2654475556545481
Energy: 1.117260732078303
Energy: 1.2650717348769023
Energy: 1.3706078780150535

minimum gb energy = 1.1079214895043086 eV
minimum distance =  2.19871578045772 Angstroms
sigma value = 11


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

Energy: 1.4424116592253118
Energy: 1.035438342603933
Energy: 1.0863582156324516
Energy: 1.087142929343877
Energy: 1.218847532460583
Energy: 1.0389904064938484
Energy: 1.0323433877882806
Energy: 1.3116932146856932
Energy: 1.158831369185161
Energy: 1.0276712949888056
Energy: 1.1582728250043592
Energy: 1.313297427853564
Energy: 1.028697193934211
Energy: 1.2950164081480793
Energy: 1.2983975140734967
Energy: 1.0297844875939957
Energy: 1.2972122560760853
Energy: 1.3138562105764677
Energy: 1.0241100205139346
Energy: 1.2946213902295478
Energy: 1.2984962202421753
Energy: 1.0301523908433308
Energy: 1.2972625109885811
Energy: 1.3117404591086808
Energy: 1.0229122625322866
Energy: 1.2936933769298258
Energy: 1.2976518539868862
Energy: 1.0302089581490557
Energy: 1.2979238661190287
Energy: 1.310894351602569
Energy: 1.0276583814947498
Energy: 1.2943622622520305
Energy: 1.2994280459082361
Energy: 1.0294698067098977
Energy: 1.2940339309797244
Energy: 1.2045149414165475
Energy: 1.0297088443785336
Energy: 1.199366640956585
Energy: 1.297012303724824
Energy: 1.1970981560335947
Energy: 1.2980542434508027
Energy: 1.1999178003801987
Energy: 1.024753119226933
Energy: 1.2946523364412266
Energy: 1.292887288048339
Energy: 1.1636711541241564
Energy: 1.2944689742936712
Energy: 1.2193353736657029
Energy: 1.030176372451034
Energy: 1.1591819958144396
Energy: 1.3113640562643218
Energy: 1.1595464511453204
Energy: 1.2989288703274702
Energy: 1.1629025861782902
Energy: 1.030831063719353
Energy: 1.1602813759193407
Energy: 1.1593969824248964
Energy: 1.1971972051818616
Energy: 1.1595947679335048
Energy: 1.028390401764565
Energy: 1.046704982601009
Energy: 1.1590087374240408
Energy: 1.1578969625919562
Energy: 1.0248598067701236
Energy: 1.1580624454146513
Energy: 1.1605531993386176
Energy: 1.041516598363881
Energy: 1.1605383958222542
Energy: 1.3106315083628635
Energy: 1.270344506384994
Energy: 1.2826690321811054
Energy: 1.0453923982619926
Energy: 1.0449241461555898
Energy: 1.1590613667395107
Energy: 1.2933036043746995
Energy: 1.0259777421994407
Energy: 1.1579271886954754
Energy: 1.0465666691570252
Energy: 1.0301415832384837
Energy: 1.0296260201829537
Energy: 1.2695208391913737
Energy: 1.0239879090260249
Energy: 1.1615641154562253
Energy: 1.0300645537130328
Energy: 1.0284187232908122
Energy: 1.1590182940261131
Energy: 1.314775282944741
Energy: 1.1984122733091753
Energy: 1.2991431262833986
Energy: 1.1586716732659421
Energy: 1.03226227576438
Energy: 1.2984337111676747
Energy: 1.313400299397577
Energy: 1.1979976921170061
Energy: 1.2953246154403832
Energy: 1.2983872124470384
Energy: 1.029933780079861
Energy: 1.2989333844453426
Energy: 1.3130473739280275
Energy: 1.2991930628603667
Energy: 1.2983699459358264
Energy: 1.2011924290221627
Energy: 1.029765784534345
Energy: 1.2974839416054673
Energy: 1.2940104939388803
Energy: 1.0265686807761845
Energy: 1.2945738180565851
Energy: 1.2994750475380568
Energy: 1.030527744002395
Energy: 1.2931001352301692
Energy: 1.2981188163464847
Energy: 1.0299717508052355
Energy: 1.29449443714952
Energy: 1.297406626921613
Energy: 1.0276974798320901
Energy: 1.298206085107108
Energy: 1.1982874909921977
Energy: 1.0292048275503731
Energy: 1.298296758168361
Energy: 1.295061134067974
Energy: 1.0293701592811202
Energy: 1.293770721547382
Energy: 1.1986667480675666
Energy: 1.0257673331919535
Energy: 1.2965379877618084
Energy: 1.313202251278517
Energy: 1.0293639858868906
Energy: 1.299845860002112
Energy: 1.1606236888452701
Energy: 1.0285949812378548
Energy: 1.15813638354831
Energy: 1.3123315423549688
Energy: 1.0237370570940667
Energy: 1.1614423562309457
Energy: 1.1633382463143815
Energy: 1.0311407879455157
Energy: 1.1628386639804804
Energy: 1.297600464562703
Energy: 1.024983594327807
Energy: 1.1573463069939032
Energy: 1.158809303902707
Energy: 1.0466295953198899
Energy: 1.1581958354539454
Energy: 1.2929486138085153
Energy: 1.0301260425830236
Energy: 1.297101792387692
Energy: 1.0438350208137728
Energy: 1.042412081222546
Energy: 1.2816686748726793
Energy: 1.3110716921324894
Energy: 1.0231648840707117
Energy: 1.1584066291509114
Energy: 1.045803322534426
Energy: 1.047911977493173
Energy: 1.1587978053463013
Energy: 1.2661422520521535

minimum gb energy = 1.0229122625322866 eV
minimum distance =  2.16835212895582 Angstroms
sigma value = 41


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

Energy: 1.767379239930637
Energy: 0.9429753913773654
Energy: 1.00278326918209
Energy: 1.002655089574678
Energy: 0.955284194557619
Energy: 0.9619496323807896
Energy: 1.1703342954494154
Energy: 1.1854303576579475
Energy: 1.0542474914857753
Energy: 1.058959273771564
Energy: 1.0549029783370847
Energy: 1.2165051236943782
Energy: 1.1790548943082906
Energy: 1.2201148138703892
Energy: 1.1944885542124333
Energy: 1.0554981071161622
Energy: 1.1847597025378536
Energy: 1.220100503361202
Energy: 0.9361984586342159
Energy: 1.1852904712032515
Energy: 1.1950939346359508
Energy: 1.0570543692413732
Energy: 1.1834493850945402
Energy: 1.206523858142179
Energy: 0.9366989687008965
Energy: 1.1839794384160331
Energy: 1.1918911631472822
Energy: 1.056722599843054
Energy: 1.1845946204232007
Energy: 1.2049536024457532
Energy: 1.177898355643176
Energy: 1.2178773120115742
Energy: 1.1834697775624334
Energy: 1.2212251721542275
Energy: 1.221272492415562
Energy: 1.2151650431659569
Energy: 1.0589881248378674
Energy: 1.2204566369927157
Energy: 1.216452424022084
Energy: 1.2190823900950367
Energy: 1.2184547361539113
Energy: 1.194951679890786
Energy: 1.1714645618872732
Energy: 1.218259532041755
Energy: 1.2188145428869739
Energy: 1.183546357872096
Energy: 1.2197109244912347
Energy: 1.2177611763541927
Energy: 1.1779712901396224
Energy: 1.1852579641078933
Energy: 1.2191881527278297
Energy: 1.2084079501093958
Energy: 1.2199747265425949
Energy: 1.1846429772856193
Energy: 1.0581942398862407
Energy: 1.1949255601346538
Energy: 1.1859413223318256
Energy: 1.1855973860589815
Energy: 1.186847217792445
Energy: 1.1084095777064358
Energy: 1.0582683870957261
Energy: 1.1870391641158062
Energy: 1.1835155158546997
Energy: 1.2380043072600113
Energy: 1.1838174079173285
Energy: 1.0557810834872259
Energy: 1.0587007659249252
Energy: 1.0542997735240185
Energy: 1.2223528317972925
Energy: 1.2071974229121907
Energy: 1.1831680890673653
Energy: 1.0547398740908014
Energy: 1.055803525551565
Energy: 1.0545855710334116
Energy: 0.9556211402403005
Energy: 1.2154768632154769
Energy: 1.0542870727774831
Energy: 1.0556103653391071
Energy: 0.9546138974097531
Energy: 1.0546877897268419
Energy: 1.1874819603137639
Energy: 1.1842895004128122
Energy: 1.0550024186831548
Energy: 0.9552375448779161
Energy: 0.955558908717867
Energy: 1.0548307883789962
Energy: 1.2199828928938037
Energy: 1.2068218530508896
Energy: 0.9553842475287965
Energy: 1.0551146301922607
Energy: 0.9555638512528473
Energy: 1.0555354673926198
Energy: 1.1862825736805023
Energy: 1.209358141422244
Energy: 1.1919881388731732
Energy: 0.9556058065533046
Energy: 0.95452595115258
Energy: 0.9553202969976532
Energy: 1.1530163034431358
Energy: 1.222347321408607
Energy: 1.0569992151098522
Energy: 0.9556976685193279
Energy: 1.0561742355475723
Energy: 1.0553605406262634
Energy: 1.1831676117825298
Energy: 1.222904300478704
Energy: 1.0541607851132972
Energy: 0.939749608103581
Energy: 1.0581916758172711
Energy: 1.196631056076047
Energy: 1.2230957312617359
Energy: 1.2083355834191412
Energy: 1.184152572651051
Energy: 0.9551989942142408
Energy: 1.0578999944052407
Energy: 1.1865795709042093
Energy: 1.1831266352098395
Energy: 1.2056879505909586
Energy: 1.1833944483389958
Energy: 1.0545953931354182
Energy: 1.0569587981056068
Energy: 1.1964816643158294
Energy: 1.2082709776295977
Energy: 1.2060288049611756
Energy: 1.1831118333234123
Energy: 1.1091307008765872
Energy: 1.176741416932053
Energy: 1.1846525367749428
Energy: 1.2192840241168674
Energy: 1.2121495366372257
Energy: 1.2190849306037692
Energy: 1.1843025518625117
Energy: 1.0594585256234683
Energy: 1.2163929697232254
Energy: 1.2186250943482382
Energy: 1.2205555523038638
Energy: 1.2202303153667835
Energy: 1.2149269798478837
Energy: 1.1776761746124071
Energy: 1.2189089872708507
Energy: 1.215325812309389
Energy: 1.150628279377549
Energy: 1.218242863053917
Energy: 1.1943897431349773
Energy: 1.1771045688759254
Energy: 1.2168273896015063
Energy: 1.183528997235211
Energy: 1.2219948750271428
Energy: 1.2212567874351505
Energy: 1.2149316897220803
Energy: 1.0534293462179674
Energy: 1.1835518363827113
Energy: 1.184822264842798
Energy: 1.055723645999539
Energy: 1.1850610344144
Energy: 1.1841210535248416
Energy: 1.0523053482390308
Energy: 1.1860690496824098
Energy: 1.0545713950967117
Energy: 0.9557012384388411
Energy: 1.1913582553814093
Energy: 1.1853337128706438
Energy: 1.1783165989504998
Energy: 1.185531270801692
Energy: 1.0548456204369072
Energy: 0.9548889379337925
Energy: 1.1854477209403371
Energy: 1.2203148398469599
Energy: 1.1770628452514575
Energy: 1.1977861438360693
Energy: 1.0542957334834078
Energy: 1.0580634337359989
Energy: 1.0544227829110902
Energy: 1.2168445570788295
Energy: 1.1726402980066966
Energy: 0.9546705693414818
Energy: 0.9400402509406871
Energy: 0.9374876568353318
Energy: 0.9563610732315655
Energy: 1.0507615860154993
Energy: 1.1784528449808649
Energy: 0.9547779857383598
Energy: 1.054103553121565
Energy: 0.9792338255688926
Energy: 1.0537706204141781
Energy: 1.2163595073719808
Energy: 1.1777898407932816
Energy: 1.1843004375524377
Energy: 0.9563024939997921
Energy: 0.9561478898604134
Energy: 1.1660560968937117
Energy: 1.22169434810998
Energy: 0.9289807914669069
Energy: 1.0558384151267355
Energy: 0.9562456789893273
Energy: 0.9571083148350774
Energy: 1.0575003212635365
Energy: 1.1492047380568065

minimum gb energy = 0.9289807914669069 eV
minimum distance =  2.16258746002023 Angstroms
sigma value = 33


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

Energy: 1.6995512509420794
Energy: 0.8242735578966873
Energy: 0.8377630684364251
Energy: 0.8970515602748294
Energy: 0.8387314692693422
Energy: 0.8450272725567439
Energy: 1.5596253773543565
Energy: 0.9145046113553449
Energy: 0.9123354467817409
Energy: 0.9117365242163135
Energy: 0.91239438748307
Energy: 0.9651977647331895
Energy: 1.2761297616484335
Energy: 0.9606680599869196
Energy: 0.8349238333652138
Energy: 0.8363748196844285
Energy: 0.9590334426376064
Energy: 1.064984313883104
Energy: 1.5788517347192987
Energy: 0.9610499004331924
Energy: 0.8366453229720168
Energy: 0.8371042905280044
Energy: 0.8369879444057903
Energy: 1.0544356179845047
Energy: 1.286021491704123
Energy: 1.0269900781371228
Energy: 0.8508999873695533
Energy: 0.9159784990834517
Energy: 1.0274101704775431
Energy: 1.053355916765679
Energy: 1.276301361467324
Energy: 1.065412978999234
Energy: 0.967781521826038
Energy: 1.041422345307175
Energy: 0.9704454593936274
Energy: 1.072535706431666
Energy: 1.4194291377533832
Energy: 1.0658952735693206
Energy: 1.0661068403174674
Energy: 0.9687070971123175
Energy: 1.0649871670930433
Energy: 1.0712610331774595
Energy: 1.2871777218021527
Energy: 1.0640904067470673
Energy: 0.9572692601647675
Energy: 0.9671269366115883
Energy: 0.9676673690368879
Energy: 1.0707334522600085
Energy: 1.4222186219454775
Energy: 1.0739510374547958
Energy: 1.0661280471904495
Energy: 1.0659658154222642
Energy: 1.0684755134653745
Energy: 1.0735073470559422
Energy: 1.2862586156048423
Energy: 1.0746991088805995
Energy: 1.0742212091794088
Energy: 1.0732076410364475
Energy: 1.0749333001367107
Energy: 1.0722355228655018
Energy: 1.2876416063658034
Energy: 1.0739536275689978
Energy: 1.0737639289782268
Energy: 1.067535513173221
Energy: 1.0743063681098006
Energy: 1.0737073696455839
Energy: 1.2867187837007317
Energy: 1.0741196949004133
Energy: 1.0739528234874567
Energy: 1.0735673512584984
Energy: 1.0748010012735096
Energy: 1.0731138045533353
Energy: 1.283591587811023
Energy: 1.0660696397002825
Energy: 1.065234346431524
Energy: 1.0733549544831293
Energy: 1.065537294940076
Energy: 1.0661418418575703
Energy: 1.1441575808656659
Energy: 0.9678803100905572
Energy: 1.0664052634938594
Energy: 1.0738441990520928
Energy: 1.065632889197722
Energy: 0.9683767433672587
Energy: 0.9981041468156845
Energy: 1.065602897934818
Energy: 1.0738858657092423
Energy: 1.0735673436108863
Energy: 1.0647833302520362
Energy: 1.066126358010841
Energy: 1.1410728899471994
Energy: 1.032237697605597
Energy: 0.9707784375554706
Energy: 1.0730526976548762
Energy: 0.9686261199700646
Energy: 1.026703474986399
Energy: 0.9150556812484915
Energy: 0.8380537801959348
Energy: 1.0655696790474918
Energy: 1.0656677684036286
Energy: 0.8361463246539531
Energy: 0.9144823828000835
Energy: 0.9118524440217864
Energy: 1.0276792366177356
Energy: 1.025952820298094
Energy: 1.0732645708617843
Energy: 1.026264751817106
Energy: 0.9590793219224764
Energy: 0.9142669882645534
Energy: 0.8377566889721516
Energy: 1.0669282466878234
Energy: 1.0733529121131309
Energy: 0.834696375699958
Energy: 0.8369904084677481
Energy: 0.9131476619783802
Energy: 0.9135551711317441
Energy: 0.841332461492311
Energy: 1.0687400236978515
Energy: 0.9126584017649139
Energy: 0.838102030222414
Energy: 0.8338126487945736
Energy: 0.8351557802202421
Energy: 0.9584394910980315
Energy: 1.0680567894634987
Energy: 0.8368047872240797
Energy: 0.8345537414376764
Energy: 0.8377708682105462
Energy: 0.9126666402642899
Energy: 0.9601471742151279
Energy: 1.0733579924830643
Energy: 0.9130706609166384
Energy: 0.8376095587941673
Energy: 0.8481608736027296
Energy: 0.9125037716235003
Energy: 0.9645862386982254
Energy: 1.0736109996898562
Energy: 1.027270553831694
Energy: 0.8420371324389945
Energy: 0.834441533918639
Energy: 0.8348806366256817
Energy: 1.055969688297631
Energy: 1.0570157247187746
Energy: 0.8387084144097245
Energy: 0.8350434363331628
Energy: 0.9108846981134215
Energy: 0.9127546740843264
Energy: 1.0257922692606285
Energy: 1.0684308320297167
Energy: 0.9125708218756137
Energy: 0.9126394026617243
Energy: 0.9120167018461482
Energy: 0.8354160234332739
Energy: 1.0650562145236053
Energy: 1.07346681161422
Energy: 0.9591599473102204
Energy: 0.8365404258685225
Energy: 0.9116917713570044
Energy: 1.028323822508396
Energy: 1.026443236533064
Energy: 1.0747940626562809
Energy: 1.027651184160905
Energy: 0.8370035380035356
Energy: 1.1468779489636105
Energy: 0.835403148194563
Energy: 1.0564140603520062
Energy: 1.0734797856208567
Energy: 0.9600446627867043
Energy: 0.8358642497118608
Energy: 1.1458205468642164
Energy: 0.9684120116736742
Energy: 1.0657969603024857
Energy: 1.0734795481297899
Energy: 0.9708246984075102
Energy: 1.0317800551853957
Energy: 1.144823579331571
Energy: 1.0718984073219993
Energy: 1.072089490903738
Energy: 1.073331253245476
Energy: 1.0652854704711379
Energy: 1.065553258897517
Energy: 1.1455339953196384
Energy: 0.9683357737913895
Energy: 1.0701577412991177
Energy: 1.0720527044854178
Energy: 0.9708056543608087
Energy: 0.9667216003631609
Energy: 1.4186423404393425
Energy: 1.0661191538803558
Energy: 1.0718510510116672
Energy: 1.073583673438101
Energy: 1.0656439270004916
Energy: 1.0660096416492817
Energy: 1.4263882520989903
Energy: 1.0743813353816796
Energy: 1.0734998232971495
Energy: 1.0743096261945198
Energy: 1.0745859375725018
Energy: 1.0737503505753967
Energy: 1.4263493814913404
Energy: 1.0745061784368823
Energy: 1.0738303313032456
Energy: 1.0668324187214397
Energy: 1.0748895397996934
Energy: 1.0736684737682518
Energy: 1.4186244894836348
Energy: 1.0743979755930584
Energy: 1.073702273979824
Energy: 1.0672831575881911
Energy: 1.0753219722604548
Energy: 1.073712405250286
Energy: 1.4193448059948224
Energy: 1.0661884556290748
Energy: 1.0663098413402552
Energy: 1.065528148447926
Energy: 1.066576994309433
Energy: 1.0730980851291534
Energy: 1.4347936593635082
Energy: 1.0643214295519154
Energy: 1.0363666965630385
Energy: 1.0413275451613755
Energy: 0.9675960723558583
Energy: 1.0736900831818854
Energy: 1.279701821336748
Energy: 1.0686667894438193
Energy: 1.0657415602705915
Energy: 0.8209981368956876
Energy: 1.0713988835662116
Energy: 1.0726803294541698
Energy: 1.4212424424547212
Energy: 0.970171727753218
Energy: 1.0335246186494833
Energy: 1.0402534098709915
Energy: 0.9662098679473208
Energy: 1.066731833762852
Energy: 1.421885063529619
Energy: 1.0287310550443511
Energy: 0.8360106107309807
Energy: 0.9155341812747712
Energy: 0.8351145078572824
Energy: 1.065640736725464
Energy: 1.4222138453816702
Energy: 1.0269089397707616
Energy: 0.9568626070525308
Energy: 0.8355495633664045
Energy: 1.02756350011228
Energy: 1.027082916575571
Energy: 1.4204873016963344
Energy: 1.0659188959185357
Energy: 0.8381163095395567
Energy: 0.8372958327400011
Energy: 0.8375950685028373
Energy: 1.0664027046413955
Energy: 1.4166535314037945
Energy: 0.9118763001435827
Energy: 0.9124368997226948
Energy: 0.9120721507792623
Energy: 0.9124426229145254
Energy: 0.9660489329321744
Energy: 1.433091279625183
Energy: 0.835577097081326
Energy: 0.8349370562453869
Energy: 0.8344412493189586
Energy: 0.8382465447949229
Energy: 1.0671444389832714
Energy: 1.1417032923991401
Energy: 0.9651560730749832
Energy: 0.9125160417943996
Energy: 0.8404444197220915
Energy: 0.912179760612155
Energy: 0.9645219116978418
Energy: 1.4218174034615505
Energy: 0.9600223372482938
Energy: 0.8379252298836591
Energy: 0.8382533854017539
Energy: 0.9134310767621059
Energy: 0.9595114658721716
Energy: 1.2851609926467917
Energy: 0.8419871253302966
Energy: 0.8346752519187509
Energy: 0.833742570586193
Energy: 0.8350216250599904
Energy: 1.0571377356520122

minimum gb energy = 0.8209981368956876 eV
minimum distance =  2.21387494290281 Angstroms
sigma value = 67


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

Energy: 0.24720567458503737
Energy: 0.2476751972685429
Energy: 0.38875461523162497
Energy: 0.39011962716873577
Energy: 0.4735477152800242
Energy: 0.24738866404841262
Energy: 0.24871721524779689
Energy: 0.38668173190229116
Energy: 0.3875479598899112
Energy: 0.3882773246217171
Energy: 0.38591109577793636
Energy: 0.3871151817846399
Energy: 1.39440632925323
Energy: 0.3893517305143107
Energy: 0.38953457954109527
Energy: 0.39159115356015467
Energy: 0.3884270585269952
Energy: 0.3895386323704062
Energy: 0.250270085289105
Energy: 0.390608631203328
Energy: 0.39034835266075163
Energy: 0.3903164038504832
Energy: 0.38945442879502956
Energy: 0.2502158269973889
Energy: 0.2507506951013183
Energy: 0.3909139272326906
Energy: 0.39149776439082395
Energy: 0.39201086409972297
Energy: 0.3898240961470142
Energy: 0.25063746025380895
Energy: 1.3955022354940965
Energy: 0.3897093908029803
Energy: 0.3900425420127255
Energy: 0.3898882009248391
Energy: 0.3884226852053236
Energy: 0.39021247187826547
Energy: 0.2489808982158695
Energy: 0.38782285364135355
Energy: 0.3884674195803282
Energy: 0.3912277842580437
Energy: 0.3868421941588673
Energy: 0.38826894387992805

minimum gb energy = 0.24720567458503737 eV
minimum distance =  2.42467774663451 Angstroms
sigma value = 3


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

Energy: 1.5962846678949152
Energy: 0.9837716086945651
Energy: 0.8112140250355234
Energy: 0.9440187747384113
Energy: 0.8107575849305564
Energy: 1.0351479976092042
Energy: 1.8795435052724123
Energy: 0.9281325581849731
Energy: 0.8087033892897197
Energy: 0.8083503103622851
Energy: 0.8087414721473697
Energy: 0.9284728914006856
Energy: 1.2520340210141687
Energy: 0.8953126608390211
Energy: 0.8082435650534343
Energy: 0.8084840841555431
Energy: 0.809888148990095
Energy: 0.8971372838043669
Energy: 1.4101596916870116
Energy: 0.8922641602946328
Energy: 0.80901780556873
Energy: 0.8098185374938908
Energy: 0.809080814232143
Energy: 1.0037935055052445
Energy: 1.410247548352622
Energy: 0.8928294657090341
Energy: 0.8927752811303885
Energy: 0.8931775483411836
Energy: 0.8930350090540923
Energy: 1.0040629057656694
Energy: 1.251889498926382
Energy: 0.9791852678507874
Energy: 0.8108968209724097
Energy: 0.81100630797196
Energy: 0.8105036771586028
Energy: 1.0351433763606857
Energy: 1.727552389559395
Energy: 0.926736474771849
Energy: 0.8946454659046092
Energy: 0.9068006791533717
Energy: 0.8953796289933252
Energy: 1.0063226412365514
Energy: 1.2493669381470942
Energy: 1.0061888581263807
Energy: 1.0093255482778385
Energy: 0.9075298463541525
Energy: 1.0052908928569093
Energy: 1.0458775068895179
Energy: 1.7288931317196488
Energy: 0.8954884934650524
Energy: 0.9272555497283108
Energy: 0.8960994871975676
Energy: 0.9266104279974468
Energy: 0.9276899465778785
Energy: 1.2534323525419155
Energy: 1.0452562577345526
Energy: 1.0050898131308796
Energy: 0.9279283535420074
Energy: 1.0045426758582263
Energy: 1.0462256171380107
Energy: 1.249600882966224
Energy: 1.0422798200389491
Energy: 1.0441018394224018
Energy: 1.0225328125151794
Energy: 1.043548246512658
Energy: 1.0426490070717205
Energy: 1.2516102071582622
Energy: 1.04200236110928
Energy: 1.04242234309314
Energy: 1.0269305224088536
Energy: 1.0425378363416753
Energy: 1.0419786727762768
Energy: 1.2503158177477194
Energy: 1.0423229114923627
Energy: 1.044298323068371
Energy: 0.9855804674523063
Energy: 1.0442487189479601
Energy: 1.060506664118278
Energy: 1.2787289635597627
Energy: 1.0530765825443211
Energy: 1.042347265809076
Energy: 1.0443335434227083
Energy: 1.055959081182487
Energy: 1.0533235030098496
Energy: 1.2491643912551498
Energy: 1.0542039259741942
Energy: 1.0543198840376506
Energy: 1.0410818349687017
Energy: 1.0555869227219397
Energy: 1.055524897032853
Energy: 1.2510982200506404
Energy: 1.0617658388455133
Energy: 1.0548079592680093
Energy: 1.0346243878363406
Energy: 1.0541103796773255
Energy: 1.054779240496315
Energy: 1.3877291664776437
Energy: 1.050636577364946
Energy: 1.0533581279428224
Energy: 1.0529540070353112
Energy: 1.055420594301774
Energy: 1.0433214977379843
Energy: 1.2493395663034736
Energy: 1.0450152870186533
Energy: 1.0421708863326984
Energy: 1.0791271412032986
Energy: 1.042793198014472
Energy: 1.0460908439558119
Energy: 1.2498759345107777
Energy: 1.0420005824296654
Energy: 1.042039032730778
Energy: 1.050435786787155
Energy: 1.0417544930945897
Energy: 1.044668387869294
Energy: 1.1234391159588566
Energy: 1.0411390661921156
Energy: 1.0422013851698442
Energy: 1.0503998646220702
Energy: 1.0418839885441826
Energy: 1.0040589681304546
Energy: 1.1272378217369619
Energy: 1.004565212750407
Energy: 1.046818996727819
Energy: 1.0779534610059807
Energy: 1.0337963542557198
Energy: 1.0044250639494288
Energy: 1.1197813252612525
Energy: 0.9268490674215734
Energy: 0.9284972341626501
Energy: 1.0804385949852333
Energy: 0.9283931731756647
Energy: 0.9272595900199778
Energy: 0.9165867580532755
Energy: 1.0055677767796276
Energy: 1.031107077810212
Energy: 1.0521114093359156
Energy: 1.0058805873878711
Energy: 0.9339436538739283
Energy: 0.8998996108972461
Energy: 0.8942890163639527
Energy: 0.9280415702279953
Energy: 1.0801852254202349
Energy: 0.9264608076643615
Energy: 0.8944001110820258
Energy: 0.917513995447947
Energy: 0.8133613075395117
Energy: 0.894947610644765
Energy: 1.0532024780684948
Energy: 0.8959473651334537
Energy: 0.8113773591063039
Energy: 0.9030289079941646
Energy: 0.8921121018719966
Energy: 0.9762729564740135
Energy: 1.0274740562303184
Energy: 0.8923629292555065
Energy: 0.8929118006836639
Energy: 0.808571457890359
Energy: 0.8084259413946062
Energy: 0.9764085136579541
Energy: 1.0281615125023806
Energy: 0.8926980857522191
Energy: 0.8082852751422049
Energy: 0.8079308090128211
Energy: 0.8105623810355045
Energy: 0.9788906014864376
Energy: 1.0520939358865466
Energy: 0.8969487401481895
Energy: 0.8105004878374783
Energy: 0.8083619889091848
Energy: 0.8090269504965599
Energy: 0.9271663591082779
Energy: 1.051258058806362
Energy: 0.8110590691700436
Energy: 0.8092385743225847
Energy: 0.8127788767093718
Energy: 0.8932613771392547
Energy: 1.0054732661820471
Energy: 1.058276343274758
Energy: 0.8933740699205578
Energy: 0.8940272632222598
Energy: 0.918375158684387
Energy: 0.8100777598083561
Energy: 0.9291275531359676
Energy: 1.043297302203492
Energy: 0.8107522827459407
Energy: 0.8114290204126713
Energy: 0.90155151829911
Energy: 0.8920991975039435
Energy: 0.9323423620743351
Energy: 1.0782161297714954
Energy: 0.9300585419045341
Energy: 0.8932524245544615
Energy: 0.9062083886310717
Energy: 0.9275398244212214
Energy: 1.0049840454293937
Energy: 1.0645643888089547
Energy: 1.0048695163450232
Energy: 0.9035108326132614
Energy: 1.120811691092497
Energy: 1.0053212171805017
Energy: 1.0043700290118138
Energy: 1.040917693068341
Energy: 1.0042922894947162
Energy: 1.0050005339241568
Energy: 1.122544889612809
Energy: 1.0055055188900424
Energy: 1.0361864799780538
Energy: 1.059271405055815
Energy: 1.005001252100268
Energy: 1.0077821604102313
Energy: 1.1204635322101897
Energy: 1.0061597138584593
Energy: 1.0421839747107404
Energy: 1.0517184858318696
Energy: 1.042179216765297
Energy: 1.0125802964918502
Energy: 1.1230175129320925
Energy: 1.0458148864286358
Energy: 1.0439541619022776
Energy: 1.0443357938560391
Energy: 1.0433460200152433
Energy: 1.0436715174059448
Energy: 1.2462610739229407
Energy: 1.0502706184343211
Energy: 1.045906794503632
Energy: 1.0642862254231034
Energy: 1.0460981930069322
Energy: 1.0248524285051106
Energy: 1.2514981929821474
Energy: 1.0436029134586806
Energy: 1.0545560842273134
Energy: 1.0548703299531794
Energy: 1.0625271407465164
Energy: 1.0447069742785164
Energy: 1.2499050639590243
Energy: 1.054113843122841
Energy: 1.0541439021746362
Energy: 1.011988422372558
Energy: 1.055990500324893
Energy: 1.0526424434044803
Energy: 1.2489283930430504
Energy: 1.0544675311031775
Energy: 1.0533519040019734
Energy: 1.052590630050066
Energy: 1.0544244042169306
Energy: 1.0533266600498252
Energy: 1.2487522140444607
Energy: 1.055059739980471
Energy: 1.0538916262359312
Energy: 1.0467805951017037
Energy: 1.0557039422859609
Energy: 1.053198482506854
Energy: 1.2506789993998388
Energy: 1.0560906372089025
Energy: 1.0426627717337527
Energy: 1.0271110944379325
Energy: 1.0430913236614487
Energy: 1.055697473262142
Energy: 1.2526476661477912
Energy: 1.043095920094679
Energy: 1.0455928847750982
Energy: 1.01304347806787
Energy: 1.0463211980934806
Energy: 1.052760208914135
Energy: 1.3471005525965525
Energy: 1.044169325968221
Energy: 1.0428867228226784
Energy: 1.0242830166996704
Energy: 1.0499081861230835
Energy: 1.0538381374773473
Energy: 1.2536728282423177
Energy: 1.0432139450185567
Energy: 1.0098365910784668
Energy: 1.0081198561229938
Energy: 1.0052101421371389
Energy: 1.043164709035349
Energy: 1.2522121156004424
Energy: 0.9268667232844973
Energy: 0.9267767532725512
Energy: 0.8966076053750425
Energy: 0.9265652602418549
Energy: 1.0302515934312182
Energy: 1.24534726736552
Energy: 1.0042478414204383
Energy: 1.0059822682734314
Energy: 0.9281149028180901
Energy: 1.0041058255474689
Energy: 1.0282486403959976
Energy: 1.24453945065033
Energy: 1.003884521261973
Energy: 0.9013058999360167
Energy: 0.9046246677925873
Energy: 0.9265940545759924
Energy: 1.0282767081531012
Energy: 1.2511461713945307
Energy: 0.9341714314961743
Energy: 0.8922769981772775
Energy: 0.8094974556380269
Energy: 0.8921899263686445
Energy: 0.8948586081522932
Energy: 1.8795989803287276
Energy: 0.8954213054736729
Energy: 0.8103413507391474
Energy: 0.810748017736467
Energy: 0.8968735019503381
Energy: 0.9282856684693155

minimum gb energy = 0.8079308090128211 eV
minimum distance =  2.23516841927807 Angstroms
sigma value = 81


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

Energy: 1.5715622062907166
Energy: 0.9683063539839261
Energy: 0.9060520903569957
Energy: 1.0550348679751949
Energy: 0.9062978555147937
Energy: 1.1910611207492592
Energy: 1.1023820779283269
Energy: 0.9051113845003371
Energy: 0.9016565246523914
Energy: 0.9016968832874532
Energy: 0.9019583481017365
Energy: 1.1698393804639688
Energy: 1.2005571603613254
Energy: 0.9021947374675874
Energy: 0.902530364225084
Energy: 0.902900235136698
Energy: 0.9026326132132568
Energy: 1.1823890437709441
Energy: 1.2603093557662866
Energy: 1.0207232067119922
Energy: 0.9028584938205851
Energy: 0.9052567101013275
Energy: 0.9030847386595863
Energy: 1.1485033346657256
Energy: 1.2603830964082265
Energy: 1.0208252842840306
Energy: 1.0208144931167216
Energy: 0.9040580086852069
Energy: 1.0207673454928174
Energy: 1.148321557457624
Energy: 1.1997996062289564
Energy: 0.901998283784522
Energy: 0.9030863588825558
Energy: 0.9018927562498781
Energy: 0.9028389631477536
Energy: 0.9019689149450939
Energy: 1.2239032839313486
Energy: 1.1687001109777404
Energy: 0.9056212127726018
Energy: 1.0454007129540044
Energy: 0.9066722219941946
Energy: 1.1688838618618753
Energy: 1.2610438174642369
Energy: 1.1713146451597578
Energy: 1.1848964206221155
Energy: 1.0382282925668334
Energy: 1.1836065892477208
Energy: 1.1946371192547802
Energy: 1.2008533986763361
Energy: 1.1816633854535479
Energy: 1.052840749298527
Energy: 0.9593079755457999
Energy: 1.0686757118406738
Energy: 1.0538663847380647
Energy: 1.2011385582464689
Energy: 1.1977112335011817
Energy: 1.1683466155418931
Energy: 0.9078081979350198
Energy: 1.1681467398050451
Energy: 1.1978146206321616
Energy: 1.2601194946403598
Energy: 1.19528934519865
Energy: 1.1846475520351019
Energy: 1.2145562914816836
Energy: 1.1948944370878256
Energy: 1.195639528582909
Energy: 1.2054448845173378
Energy: 1.1948369221213448
Energy: 1.194572849008353
Energy: 0.9601351350447171
Energy: 1.1957193412000588
Energy: 1.1944611967725547
Energy: 1.1995972625722746
Energy: 1.1609069253955497
Energy: 1.1955213441097023
Energy: 1.1485760179011562
Energy: 1.1976682744655827
Energy: 1.1322851047918543
Energy: 1.2004174713093332
Energy: 1.1338551763881863
Energy: 1.206384593363049
Energy: 1.1891856613450624
Energy: 1.1991974780097996
Energy: 1.1345772117299717
Energy: 1.1995221500083457
Energy: 1.1357353240767416
Energy: 1.1892438831710574
Energy: 1.1997482809997502
Energy: 1.1345604241353868
Energy: 1.0223832549805096
Energy: 1.102562293649133
Energy: 1.1333172846910118
Energy: 1.1824449744302925
Energy: 1.1518743005193368
Energy: 1.1376351874268844
Energy: 1.1457032631052952
Energy: 1.102086105377465
Energy: 1.0798307820427029
Energy: 1.1873257856934847
Energy: 1.2091686773874328
Energy: 1.1330185959230608
Energy: 0.8983936804875442
Energy: 1.130529869478314
Energy: 0.8915951923318735
Energy: 0.8951564599124539
Energy: 1.1891106089062444
Energy: 0.8939348657655506
Energy: 0.8915425433022893
Energy: 1.1027859201315067
Energy: 1.0724098911908229
Energy: 1.126447860658363
Energy: 1.186809924821633
Energy: 1.1263430047159115
Energy: 1.073940526392115
Energy: 0.9712711733123849
Energy: 0.9593884402607883
Energy: 1.1264988133241283
Energy: 1.187205735457124
Energy: 1.1265481304485698
Energy: 0.95913168241113
Energy: 0.9720434490864949
Energy: 0.8905898165718419
Energy: 0.892989747699316
Energy: 1.197264030079845
Energy: 0.8898235860086672
Energy: 0.8915314317241164
Energy: 0.9679775928401579
Energy: 0.9019578533191523
Energy: 1.1885019440444426
Energy: 1.1660294001123577
Energy: 0.9863781965118947
Energy: 0.9594077298559813
Energy: 0.9740899439886744
Energy: 0.9909988675066139
Energy: 1.111339923832294
Energy: 1.1811158506932489
Energy: 0.9914418077099941
Energy: 0.9915964067869973
Energy: 1.0557687157367357
Energy: 0.9859773545397664
Energy: 1.188597751915544
Energy: 1.1992581816859471
Energy: 0.9868616365866654
Energy: 0.9001107719557817
Energy: 1.0576185349051368
Energy: 0.9835027200326121
Energy: 0.9656234053215067
Energy: 1.1972182543343926
Energy: 0.9859515878867859
Energy: 0.983421599599212
Energy: 1.0643097357997828
Energy: 1.0159587219376887
Energy: 1.1648232832594252
Energy: 1.1942460157574832
Energy: 1.1645996726589998
Energy: 0.9008936825131133
Energy: 1.205433943802231
Energy: 1.1647627451880957
Energy: 1.1642258442344349
Energy: 1.1998769646445773
Energy: 1.164346425104458
Energy: 1.1654557310649973
Energy: 1.2561486858741218
Energy: 1.0663259066562127
Energy: 1.1674239018700538
Energy: 1.217889010501518
Energy: 1.014560015548166
Energy: 1.0623929397290004
Energy: 1.2005879899104464
Energy: 1.1651729790926437
Energy: 1.1990695223712442
Energy: 1.2205697939679954
Energy: 1.2014456563412266
Energy: 1.165325589169997
Energy: 1.1996988745375439
Energy: 1.2125290343459847
Energy: 1.2011712123408822
Energy: 1.0777178679036938
Energy: 1.1996155350482007
Energy: 1.2017583661031688
Energy: 1.2554744817128374
Energy: 1.2009711132314453
Energy: 1.2011047305134415
Energy: 1.2070818621048127
Energy: 1.200462060640857
Energy: 1.1781160898089524
Energy: 1.2019821340886658
Energy: 1.199111971641081
Energy: 1.1700393262952
Energy: 1.207225194400122
Energy: 1.170792917718088
Energy: 1.1991119270048858
Energy: 1.1996830203952211
Energy: 1.1697921415341648
Energy: 1.1726958483726366
Energy: 0.9041317037884227
Energy: 1.1701057872928788
Energy: 1.199311958494598
Energy: 1.2624721386353586
Energy: 1.1691914511516213
Energy: 1.1693191613320773
Energy: 0.9045776509148288
Energy: 1.1694143951414664
Energy: 1.1786425687049056
Energy: 1.2567501550192424
Energy: 1.1702708487622655
Energy: 0.9079257946033308
Energy: 1.0417520571087677
Energy: 1.0705789927063925
Energy: 1.1798723421109767
Energy: 1.2013324821178404
Energy: 1.1820646348859616
Energy: 1.021027206916725
Energy: 0.9048058556806311
Energy: 1.021095970910195
Energy: 1.1821404972547847
Energy: 1.2013614264110937
Energy: 0.9056951094552174
Energy: 0.9033111383954672
Energy: 0.9025929895614846
Energy: 0.9024467845553348
Energy: 1.1818020907133113
Energy: 1.2656658069064581
Energy: 1.0236427523458975
Energy: 1.0229374291259108
Energy: 0.9122001275752913
Energy: 1.0231891696317197
Energy: 1.182664752009978

minimum gb energy = 0.8898235860086672 eV
minimum distance =  2.24403228618708 Angstroms
sigma value = 43


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

Energy: 1.9006102542055754
Energy: 1.2508660014372142
Energy: 0.9629680599907846
Energy: 1.1174618636431382
Energy: 0.9572744944414708
Energy: 1.309950434832031
Energy: 1.3034435224726417
Energy: 1.243810556946066
Energy: 0.9505713413468598
Energy: 0.9507491134493424
Energy: 0.9507116893371587
Energy: 1.2744259613784084
Energy: 1.3126422840348346
Energy: 1.242770034226268
Energy: 0.9519529940539062
Energy: 0.9523883986131054
Energy: 0.9520072480751467
Energy: 1.2885710143882185
Energy: 1.309312342286086
Energy: 0.9530724705693674
Energy: 0.9537948936645307
Energy: 0.955082805235957
Energy: 0.9538066067076288
Energy: 1.2884240306014947
Energy: 1.3094964458303056
Energy: 0.952372040246726
Energy: 0.9535833457011582
Energy: 0.9529378753476215
Energy: 0.9530429202437695
Energy: 1.2731938738575388
Energy: 1.3122558424624724
Energy: 1.2417769963064202
Energy: 0.9522212599750308
Energy: 0.9505927425656523
Energy: 0.9518165692483929
Energy: 1.3324711384994963
Energy: 1.3138829670891885
Energy: 1.2737737260976987
Energy: 0.9556084991935918
Energy: 0.9550143735529704
Energy: 0.9538879528751579
Energy: 1.273512873261922
Energy: 1.3578006242768954
Energy: 1.2760596094997885
Energy: 1.2921722801022364
Energy: 1.1353970338391688
Energy: 1.2904867900676242
Energy: 1.2751119705206542
Energy: 1.3131558915012895
Energy: 1.2892972035164905
Energy: 1.2742630186681383
Energy: 0.9485568612156466
Energy: 1.274758515395519
Energy: 1.2745467363897047
Energy: 1.3131078598269545
Energy: 1.273721876319905
Energy: 1.2766473522190769
Energy: 1.1808281997526666
Energy: 1.2738152951805493
Energy: 1.2741107963938765
Energy: 1.3130448156668264
Energy: 1.274341649177175
Energy: 1.2737390199332081
Energy: 1.129523153822265
Energy: 1.273904071524073
Energy: 0.9544474436196443
Energy: 1.313559444949063
Energy: 1.2737516470338872
Energy: 1.2735678710178144
Energy: 1.3116251819310434
Energy: 1.2735883325536868
Energy: 0.9567004458459664
Energy: 1.1296659484073683
Energy: 1.1615476272004308
Energy: 1.291777891480091
Energy: 1.2378014245270565
Energy: 1.274842151622787
Energy: 0.9558110027991751
Energy: 1.1295854847810591
Energy: 0.9530835755450545
Energy: 1.2883716803070013
Energy: 1.2763479039383991
Energy: 0.9566782727250747
Energy: 0.9549988152662956
Energy: 1.1300801405293384
Energy: 0.951817652751073
Energy: 1.2890129259892866
Energy: 1.1601262273134072
Energy: 0.9509951923352159
Energy: 0.9506895530513668
Energy: 0.9643562362607905
Energy: 0.9551613664012532
Energy: 1.2396108582730208
Energy: 1.2380311251837026
Energy: 0.9539685260513436
Energy: 0.963111340373521
Energy: 0.950230183205072
Energy: 0.9505516520740201
Energy: 1.2748630496440818
Energy: 0.9464363183131593
Energy: 0.9514258124894741
Energy: 0.9506413498393491
Energy: 0.9508519875795535
Energy: 0.9510779414280874
Energy: 1.2424431992302853
Energy: 1.273150019676636
Energy: 0.951763299057703
Energy: 0.9512367815024048
Energy: 0.9536019509987269
Energy: 0.9528530092779054
Energy: 0.9526664435934886
Energy: 1.2927926210033573
Energy: 0.9525694126575378
Energy: 0.9526982915470973
Energy: 1.1301498892746842
Energy: 0.954156228954641
Energy: 0.9529252060091096
Energy: 1.2738489783355145
Energy: 0.9528381923628244
Energy: 0.9532598936146139
Energy: 1.1573206418027686
Energy: 0.9517450082286858
Energy: 1.242600329423571
Energy: 0.9520483745424972
Energy: 0.9514223302411563
Energy: 0.9513145880038998
Energy: 1.1282179805446346
Energy: 0.9555255403054854
Energy: 1.2743393080956964
Energy: 1.274122560241801
Energy: 1.2744745034677165
Energy: 0.9548888005814603
Energy: 1.1368599366332786
Energy: 1.273905081305804
Energy: 1.288797440166179
Energy: 0.9510481018916691
Energy: 1.2880294589312922
Energy: 0.9563229946216736
Energy: 1.3033164966331356
Energy: 1.274163646677469
Energy: 1.289724332467723
Energy: 1.1522109472943556
Energy: 1.2751583322108537
Energy: 0.9554416855922636
Energy: 1.3138409586538684
Energy: 1.273175700635169
Energy: 1.273630515784243
Energy: 1.1293376284381003
Energy: 1.275559404723796
Energy: 0.9551657890109547
Energy: 1.3118120061747363
Energy: 1.275171795557109
Energy: 1.2768297530536081
Energy: 0.9547314302507195
Energy: 1.2738212103345574
Energy: 1.2741901242994618
Energy: 1.3029619833121846
Energy: 1.2736730751240748
Energy: 1.2770998218272944
Energy: 0.9553553406553711
Energy: 1.274034952043689
Energy: 1.274275781023431
Energy: 1.3039551336831243
Energy: 1.275436823729783
Energy: 0.9558867292854003
Energy: 1.130761448972442
Energy: 0.9530253697340412
Energy: 0.9522816211800141
Energy: 1.3135047581235995
Energy: 1.273802806615984
Energy: 0.9549706727139929
Energy: 0.9534017357849113
Energy: 0.9532298460037598
Energy: 1.2884937043005718
Energy: 1.3132409621933492
Energy: 1.2449773594353646
Energy: 0.9515344499213824
Energy: 0.9511366504578179
Energy: 0.950965412243761
Energy: 1.2884893681317213
Energy: 1.3034589750057806
Energy: 0.9538064745720674
Energy: 0.9540507574425272
Energy: 0.9495501359149262
Energy: 0.9535047132666041
Energy: 1.2390448218377468

minimum gb energy = 0.9464363183131593 eV
minimum distance =  2.22021384620433 Angstroms
sigma value = 57


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

Energy: 1.6167556998055865
Energy: 1.40652998595924
Energy: 1.0262955165572643
Energy: 1.0254913398169445
Energy: 1.0239693315153526
Energy: 1.0512415701487101
Energy: 1.0252712684923395
Energy: 1.2244184619396268
Energy: 1.0236907939768498
Energy: 1.0240743591028012
Energy: 1.023861864593526
Energy: 1.2585545497656154
Energy: 1.0277176910175807
Energy: 1.4222221202039877
Energy: 1.0257208907280162
Energy: 1.0283918757291732
Energy: 1.025389431114231
Energy: 1.4195532122358923
Energy: 1.0210834672743272
Energy: 1.025808205434991
Energy: 1.0283284355621034
Energy: 1.0272600838759354
Energy: 1.028228537462107
Energy: 1.255697824950038
Energy: 1.021297111531098
Energy: 1.0255445839650528
Energy: 1.0265154002221422
Energy: 1.0260219961500188
Energy: 1.0253417195869428
Energy: 1.2556803743153726
Energy: 1.041881834709286
Energy: 1.3978925934275857
Energy: 1.025330471551293
Energy: 1.024438190529159
Energy: 1.024690092283114
Energy: 1.0266410147558955
Energy: 1.024267691942334
Energy: 1.4036796044190059
Energy: 1.0287431784467052
Energy: 1.0258455332574488
Energy: 1.02896517821857
Energy: 1.2610139100777586
Energy: 1.0215622461171545
Energy: 1.4047735793664893
Energy: 1.2757275047464485
Energy: 1.0265410329755602
Energy: 1.4182957347728766
Energy: 1.3998315018563914
Energy: 1.0259194952464536
Energy: 1.2613123924020886
Energy: 1.39346613936524
Energy: 1.0213011145688045
Energy: 1.4044558415772832
Energy: 1.2571090548651915
Energy: 1.0261189275232878
Energy: 1.0288846511356093
Energy: 1.404071304594056
Energy: 1.0200368622379161
Energy: 1.4048678224332114
Energy: 1.030221062256727
Energy: 1.027470293715153
Energy: 1.0252173887024014
Energy: 1.4198205358335516
Energy: 1.0302571216565288
Energy: 1.4000381761349687
Energy: 1.023748654145089
Energy: 1.0256765310554135
Energy: 1.2211229547880282
Energy: 1.0257153425627168
Energy: 1.0367456491567135
Energy: 1.0255195458924669
Energy: 1.025584832375579
Energy: 1.0331804460629055
Energy: 1.0297069651555504
Energy: 1.3915584481323424
Energy: 1.391631209509509
Energy: 1.0262352486384114
Energy: 1.0295712459884814
Energy: 1.0271774776085623
Energy: 1.0281033699797055
Energy: 1.3977842664680493
Energy: 1.0259740821166272
Energy: 1.0259127128011605
Energy: 1.0280746732443997
Energy: 1.0241691541741416
Energy: 1.0237868745606964
Energy: 1.3971298796884386
Energy: 1.0314329273099754
Energy: 1.024830329180132
Energy: 1.0237370792834282
Energy: 1.0243881720847914
Energy: 1.0244411318571678
Energy: 1.402769081920243
Energy: 1.0231609112782476
Energy: 1.0260450043918665
Energy: 1.0242211286972551
Energy: 1.0274891800602404
Energy: 1.0268015277203957
Energy: 1.2239089010936433
Energy: 1.0292334205491378
Energy: 1.2222798582399914
Energy: 1.0241551010882075
Energy: 1.026735756512751
Energy: 1.0253898127797985
Energy: 1.2571622872862283
Energy: 1.0273762341249184
Energy: 1.025570658916172
Energy: 1.0247477672944878
Energy: 1.0417931671260465
Energy: 1.2600785648107213
Energy: 1.402673787315197
Energy: 1.257763526358967
Energy: 1.4051770277756273
Energy: 1.0304562659840124
Energy: 1.0238104785363333
Energy: 1.2580813262065462
Energy: 1.4026566125776863
Energy: 1.2777873188187867
Energy: 1.4056751714205793
Energy: 1.2631451579253914
Energy: 1.0224097008468882
Energy: 1.4056889952392093
Energy: 1.2684929830755303
Energy: 1.0415790387937136
Energy: 1.40331011367227
Energy: 1.3938478607710858
Energy: 1.0248373735772518
Energy: 1.4032702630956515
Energy: 1.0285321281419733
Energy: 1.027531956507648
Energy: 1.0262610221155777
Energy: 1.2596601160275969
Energy: 1.0272215699952842
Energy: 1.3978062469505421
Energy: 1.0256679191496778
Energy: 1.0273309186223405
Energy: 1.2361036655680133
Energy: 1.0263539901646612
Energy: 1.020135789109253
Energy: 1.0261053427042663
Energy: 1.0281680884189148
Energy: 1.0256632401986603
Energy: 1.0257291220629907
Energy: 1.393199727598264

minimum gb energy = 1.0200368622379161 eV
minimum distance =  2.22258046660476 Angstroms
sigma value = 17


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

Energy: 2.2313616871106805
Energy: 1.566791955221486
Energy: 1.1011507190309817
Energy: 1.1014977136170825
Energy: 1.1170088983514705
Energy: 1.5670533412832037
Energy: 1.0946431762093614
Energy: 1.2031002043811598
Energy: 1.099436908072664
Energy: 1.1010088286804345
Energy: 1.0992837368920627
Energy: 1.0973117052633568
Energy: 1.1006386993326118
Energy: 1.204071615829696
Energy: 1.0950826656292696
Energy: 1.097073803419667
Energy: 1.0950031827047
Energy: 1.1004304026315688
Energy: 1.1098050110777258
Energy: 1.1028184680252295
Energy: 1.0976107872526646
Energy: 1.0969348139520207
Energy: 1.0974866629330973
Energy: 1.212996242347587
Energy: 1.1097051079697828
Energy: 1.213835515418219
Energy: 1.0972405564298358
Energy: 1.1174715620319786
Energy: 1.0976112398319584
Energy: 1.212131523910145
Energy: 1.100565312371313
Energy: 1.2035789228333664
Energy: 1.3669734374554088
Energy: 1.09223119055062
Energy: 1.3675952132529967
Energy: 1.1008600977466307
Energy: 1.1162178353152614
Energy: 1.0972913629103047
Energy: 1.0993253348868657
Energy: 1.115011395579858
Energy: 1.212487225135601
Energy: 1.1032464837994629
Energy: 1.1011679264744334
Energy: 1.3682084798088099
Energy: 1.1154785391854778
Energy: 1.1153046984812267
Energy: 1.3706716378030166
Energy: 1.1004761078594816
Energy: 1.116430694808688
Energy: 1.1051602363395854
Energy: 1.559752476550149
Energy: 1.0945167317398925
Energy: 1.1028018602217395
Energy: 1.114527620740742
Energy: 1.1067674337633446
Energy: 1.102053436925232
Energy: 1.214490437274573
Energy: 1.0934369650885387
Energy: 1.102379811344284
Energy: 1.1022076835709695
Energy: 1.095061228162083
Energy: 1.0949909856703406
Energy: 1.1020991762976282
Energy: 1.1014235484119084
Energy: 1.0949185063894673
Energy: 1.0950102065061125
Energy: 1.0999470610421915
Energy: 1.1031670522580652
Energy: 1.2145614765706554
Energy: 1.0939297615643084
Energy: 1.0973708960010737
Energy: 1.1036365988114893
Energy: 1.1156533852015855
Energy: 1.0985853564256343
Energy: 1.1027979622533637
Energy: 1.0922862224571461
Energy: 1.1026310180081857
Energy: 1.1144829173563187
Energy: 1.090433664177962
Energy: 1.3689858184609172
Energy: 1.2034337283045131
Energy: 1.1175836618142163
Energy: 1.3692318549883757
Energy: 1.0900825712375473
Energy: 1.116189818671746
Energy: 1.0974606699264
Energy: 1.097712606711382
Energy: 1.1150442586593157
Energy: 1.2118743085600687
Energy: 1.1043009747380657
Energy: 1.1000809371721443
Energy: 1.1105841347260172
Energy: 1.3689141559562064
Energy: 1.0957791891515976
Energy: 1.3683622193533027
Energy: 1.10070092170652
Energy: 1.0921969038478216
Energy: 1.212323974845617
Energy: 1.0974954199245832
Energy: 1.1158137051968733
Energy: 1.0980472843949842
Energy: 1.0965953021152286

minimum gb energy = 1.0900825712375473 eV
minimum distance =  2.26008937462215 Angstroms
sigma value = 17


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

Energy: 2.358477531137845
Energy: 1.1252550892832909
Energy: 1.1488354006196768
Energy: 1.1481627096543643
Energy: 1.1482252090129048
Energy: 1.145168424128805
Energy: 1.19260801106433
Energy: 1.146159813033526
Energy: 1.1468565634866308
Energy: 1.1496647214562494
Energy: 1.1449131939761767
Energy: 1.1934927407020794
Energy: 1.1409154349670636
Energy: 1.3215859919865385
Energy: 1.1467214383033422
Energy: 1.1488271305438387
Energy: 1.1465654530256317
Energy: 1.097970528085133
Energy: 1.3289744714769316
Energy: 1.5644568116352253
Energy: 1.1461942102321345
Energy: 1.1522876379953488
Energy: 1.1480559392038399
Energy: 1.3264161022321337
Energy: 1.1467510089938924
Energy: 1.323397285982861
Energy: 1.3286410652040852
Energy: 1.1435128623434854
Energy: 1.32429123454034
Energy: 1.3237646928151467
Energy: 1.1448790500579245
Energy: 1.1491364869930645
Energy: 1.6056625819166939
Energy: 1.1032883864744303
Energy: 1.3205794511380105
Energy: 1.147227534320568
Energy: 1.152746828197241
Energy: 1.1470992270074054
Energy: 1.3239602325923008
Energy: 1.1415021282425457
Energy: 1.1428529973451045
Energy: 1.1470085553475609
Energy: 1.147296780920251
Energy: 1.1460633854064708
Energy: 1.1447863116945152
Energy: 1.1494323692879425
Energy: 1.1457322829321432
Energy: 1.1463703745986824
Energy: 1.1400928018654717
Energy: 1.144421170103465
Energy: 1.3322976821473924
Energy: 1.1463269886243954
Energy: 1.1447127432259194
Energy: 1.1434482197760913
Energy: 1.3737415754274585
Energy: 1.1472040367444714
Energy: 1.1454666735497108
Energy: 1.2052526127215502
Energy: 1.1453123905088962
Energy: 1.1470050758879788
Energy: 1.3737307009694657
Energy: 1.1444511653386054
Energy: 1.0990439413784974
Energy: 1.144381575936314
Energy: 1.1451478963860158
Energy: 1.1448400358550908
Energy: 1.3676836642935222
Energy: 1.1438132592221586
Energy: 1.0969234790155482
Energy: 1.0992942017321958
Energy: 1.334535694818058
Energy: 1.145287546926687
Energy: 1.2193939398610945
Energy: 1.3323870160084563
Energy: 1.0952849722474247
Energy: 1.1026886191681695
Energy: 1.372227383205837
Energy: 1.1460699968111066
Energy: 1.1050465258616893
Energy: 1.0966408027918664
Energy: 1.0975161998921033
Energy: 1.102230870389884
Energy: 1.1000175678017956
Energy: 1.5155367922877898
Energy: 1.3947255810123746
Energy: 1.0963411840920956
Energy: 1.0971958864544662
Energy: 1.1035830785700618
Energy: 1.0975458009310017
Energy: 1.5142519320292986
Energy: 1.2219535199270726
Energy: 1.0975330912649948
Energy: 1.0966810444473396
Energy: 1.096966784532688
Energy: 1.0965331523529198
Energy: 1.117015413136053
Energy: 1.329124493232591
Energy: 1.3345349589039865
Energy: 1.098224999972556
Energy: 1.1022089839593041
Energy: 1.0984016015560523
Energy: 1.3226133477299027
Energy: 1.3288056185686035
Energy: 1.3331585816775702
Energy: 1.1009375843772995
Energy: 1.3381188706122145
Energy: 1.1006632927125806
Energy: 1.322710773994755
Energy: 1.1641927573102397
Energy: 1.2313148718028715
Energy: 1.3745812757103342
Energy: 1.0983048467384575
Energy: 1.0950654249772565
Energy: 1.147002275679522
Energy: 1.3674505139048942
Energy: 1.1411983602643954
Energy: 1.0996452916391968
Energy: 1.1175023505046453
Energy: 1.333264355834177
Energy: 1.1481071290146414
Energy: 1.3755899975719428
Energy: 1.1442095673106059
Energy: 1.52217170226222
Energy: 1.1509377993435814
Energy: 1.145986377956015
Energy: 1.1450512518031664
Energy: 1.1562730880396017
Energy: 1.14394410407814
Energy: 1.0947639474185145
Energy: 1.5122805918135902
Energy: 1.1413248226011
Energy: 1.1436881986870338
Energy: 1.1585852302784065
Energy: 1.1483798956946663
Energy: 1.1407558668368192
Energy: 1.1801330403315662
Energy: 1.1487845838977975
Energy: 1.148166411237898
Energy: 1.1454337487881958
Energy: 1.1453337937620502
Energy: 1.1817373699209226
Energy: 1.1437066758875283
Energy: 1.145617857634012
Energy: 1.145528468531105
Energy: 1.13991821584061
Energy: 1.145441568367735
Energy: 1.3261336980900633
Energy: 1.0998530374157351
Energy: 1.3239952705817812
Energy: 1.1446726218274441
Energy: 1.1415753792336298
Energy: 1.3210576037529826
Energy: 1.5641228305568993
Energy: 1.0981127673186277
Energy: 1.3186958401382423
Energy: 1.1445581212621982
Energy: 1.099252927240824
Energy: 1.3191409771862153
Energy: 1.1461692798697032
Energy: 1.1418869498287305
Energy: 1.3191320835451046
Energy: 1.0972463259987322
Energy: 1.093995047492055
Energy: 1.3241487851729867
Energy: 1.1447342551864252
Energy: 1.1411517056414253
Energy: 1.145096740305235
Energy: 1.325473438064559
Energy: 1.143544327904189
Energy: 1.1441257802812106
Energy: 1.1451841403057759
Energy: 1.145064916944622
Energy: 1.1451968518065312
Energy: 1.09955957108492
Energy: 1.3409931498774577
Energy: 1.1424832142608672
Energy: 1.148693376192453
Energy: 1.1496653547684168
Energy: 1.148822337928338
Energy: 1.3315460669396249
Energy: 1.3264263144143242
Energy: 1.1412354458115503
Energy: 1.1432648723064844
Energy: 1.1566470148633357
Energy: 1.1433613800189528
Energy: 1.3318974040626728
Energy: 1.1507618221836649
Energy: 1.1449832736508128
Energy: 1.1446096203720597
Energy: 1.1459727951119758
Energy: 1.1446064311798927
Energy: 1.097367062524088
Energy: 1.3382941273520843
Energy: 1.3215857432986324
Energy: 1.1416042853107315
Energy: 1.146874287061832
Energy: 1.1415025893055495
Energy: 1.1000928003381818
Energy: 1.3302833842316477
Energy: 1.3238213679318498
Energy: 1.1447241281086253
Energy: 1.2225083969414614
Energy: 1.3348356899518847
Energy: 1.372410023481202
Energy: 1.0996992279529396
Energy: 1.1013662149990753
Energy: 1.5146711644491189
Energy: 1.097665293028396
Energy: 1.3342933867343467
Energy: 1.1004608313323143
Energy: 1.0960066636897121
Energy: 1.1023274509296266
Energy: 1.3327449259506006
Energy: 1.0945526683331002
Energy: 1.1008173392959753
Energy: 1.101659249427965
Energy: 1.0967557248979087
Energy: 1.0963252193964934
Energy: 1.335422332400952
Energy: 1.2221332717105855
Energy: 1.0962918124881924
Energy: 1.0966041367085864
Energy: 1.1031584263031482
Energy: 1.0978957651243593
Energy: 1.3326471311860115
Energy: 1.1486730377898204
Energy: 1.09851470223995
Energy: 1.0977749255141476
Energy: 1.1059375313531936
Energy: 1.0995836851280756
Energy: 1.5151242156350762
Energy: 1.1466193130043107
Energy: 1.098623206305052
Energy: 1.0987366843466126
Energy: 1.5498637257943177
Energy: 1.3743570416835778
Energy: 1.371660687716292
Energy: 1.2194137527014082
Energy: 1.3328345979674756
Energy: 1.0962315314848743
Energy: 1.3285653169932332
Energy: 1.3197979146522125
Energy: 1.144268177336577
Energy: 1.1493321927429077
Energy: 1.1430444724766855
Energy: 1.0981440943838447
Energy: 1.3410608157103063
Energy: 1.3817696680289717
Energy: 1.1444509819600892
Energy: 1.1458452119791225
Energy: 1.1446095256464175
Energy: 1.10100015573155
Energy: 1.38748618764872
Energy: 1.1457021997105734
Energy: 1.14769361838355
Energy: 1.1518765966200122
Energy: 1.14555285450773
Energy: 1.0941170371658433

minimum gb energy = 1.093995047492055 eV
minimum distance =  2.24847494006277 Angstroms
sigma value = 57


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

Energy: 1.9203654680133249
Energy: 1.0814779558180456
Energy: 1.1512325362675553
Energy: 1.3347472012943493
Energy: 1.3283357003076153
Energy: 1.081597559954801
Energy: 1.2499186191779943
Energy: 1.1439842748808928
Energy: 1.143442853002396
Energy: 1.146828804959615
Energy: 1.1441672361468633
Energy: 1.1439452825798817
Energy: 1.1680736621113363
Energy: 1.1492738386821628
Energy: 1.1428792584777798
Energy: 1.145804060250881
Energy: 1.1429293958632412
Energy: 1.1703584886362723
Energy: 1.5218303065782104
Energy: 1.3634395695491945
Energy: 1.1424699251064028
Energy: 1.150227242190516
Energy: 1.1417213518205338
Energy: 1.3691218120943327
Energy: 1.1520276707678214
Energy: 1.3637802243036745
Energy: 1.362693527722798
Energy: 1.0781543006822962
Energy: 1.3653224149925751
Energy: 1.3637794905754528
Energy: 1.1501026695041896
Energy: 1.1445035366082006
Energy: 1.0692990556776787
Energy: 1.0734549528237924
Energy: 1.144903896591323
Energy: 1.1434186486571503
Energy: 1.1506726110696914
Energy: 1.144624793146128
Energy: 1.3635320018688615
Energy: 1.1679931451731536
Energy: 1.1371614962935341
Energy: 1.1443537422004488
Energy: 1.1443833011757107
Energy: 1.1451814028832668
Energy: 1.1456501013875433
Energy: 1.1498710140250883
Energy: 1.143906477241722
Energy: 1.1451862435342068
Energy: 1.1493897325278795
Energy: 1.1388943994176401
Energy: 1.3688373043685684
Energy: 1.1361236596915414
Energy: 1.1382787244229384
Energy: 1.1371189112975815
Energy: 1.1612825053841973
Energy: 1.1460835823482352
Energy: 1.1466030796429143
Energy: 1.1839350194249618
Energy: 1.1455730033363627
Energy: 1.1460107534945296
Energy: 1.2142231734141722
Energy: 1.1431533533485847
Energy: 1.1390994462520416
Energy: 1.165123864554484
Energy: 1.2901959591055865
Energy: 1.144287748921923
Energy: 1.1669840333275245
Energy: 1.1373730662637858
Energy: 1.1441911845387445
Energy: 1.1535427660853295
Energy: 1.1446318352124565
Energy: 1.1476497359612565
Energy: 1.1654350502574853
Energy: 1.1441169356853023
Energy: 1.1453398110127506
Energy: 1.1493068206339778
Energy: 1.1450292152595434
Energy: 1.1417964943474483
Energy: 1.8149168456734068
Energy: 1.1401920159301304
Energy: 1.1562854597671028
Energy: 1.169642262381471
Energy: 1.1485632960174912
Energy: 1.5881870319438969
Energy: 1.2512890864116601
Energy: 1.1442398457806737
Energy: 1.144007507174777
Energy: 1.1494106488657345
Energy: 1.1441601792602545
Energy: 1.1395988348046728
Energy: 1.1690941050923958
Energy: 1.1500603602726234
Energy: 1.1439743849229655
Energy: 1.1441454450676953
Energy: 1.142453753458108
Energy: 1.1722604847828493
Energy: 1.5209151995440342
Energy: 1.3627710052090416
Energy: 1.1511336954717615
Energy: 1.1431128160995467
Energy: 1.1414372420604262
Energy: 1.3651424070062987
Energy: 1.1705488337540892
Energy: 1.6061065443450302
Energy: 1.3633025414051325
Energy: 1.1677738128331805
Energy: 1.3656803635294148
Energy: 1.3644187748706662
Energy: 1.1472816127738044
Energy: 1.143841246393574
Energy: 1.0691658414474863
Energy: 1.0735280911049645
Energy: 1.1468915921519287
Energy: 1.1441201544311987
Energy: 1.1494464470653027
Energy: 1.1455386918867054
Energy: 1.3627859288438746
Energy: 1.145381452786942
Energy: 1.13825666564472
Energy: 1.14679982782633
Energy: 1.1426781321601407
Energy: 1.1442623810063937
Energy: 1.1461194137922084
Energy: 1.1465833881948357
Energy: 1.1433994843643236
Energy: 1.144491875598707
Energy: 1.1562097722538562
Energy: 1.148937161366193
Energy: 1.3685535028966676
Energy: 1.3670750061158092
Energy: 1.1406369431450052
Energy: 1.148696651137439
Energy: 1.1677440071453002
Energy: 1.1448801129026334
Energy: 1.1478712847780597
Energy: 1.1814030902208625
Energy: 1.1460938780000607
Energy: 1.1466809340326998
Energy: 1.2132636734396671
Energy: 1.1426442558175058
Energy: 1.139088683307338
Energy: 1.1668230173416843
Energy: 1.1441624036993834
Energy: 1.144707616428717
Energy: 1.1667332689479728
Energy: 1.138282019708144
Energy: 1.1465243079012033
Energy: 1.1490753871018322
Energy: 1.1445305643706123
Energy: 1.1494501403414898
Energy: 1.1644822043154055
Energy: 1.1445731477819538
Energy: 1.1447187351990922
Energy: 1.1471160771326636
Energy: 1.146474837237694
Energy: 1.1415956188446894
Energy: 1.8143145233011029
Energy: 1.1414228032859652
Energy: 1.1557490768665748
Energy: 1.1692004405748575
Energy: 1.1429274196362345
Energy: 1.5887171219929588

minimum gb energy = 1.0691658414474863 eV
minimum distance =  2.18360539012702 Angstroms
sigma value = 43


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

Energy: 1.2244479751801638
Energy: 1.1803863495837503
Energy: 1.1779528917738498
Energy: 1.1821598448137496
Energy: 1.175803229613575
Energy: 1.6120913018779315
Energy: 1.2275553904458554
Energy: 1.179618184810023
Energy: 1.1798949308456688
Energy: 1.1805709667856412
Energy: 1.1797106877974568
Energy: 1.177321043802514
Energy: 1.2157040297145594
Energy: 1.2254683846099919
Energy: 1.178099845181578
Energy: 1.1830601181476745
Energy: 1.1786042901065688
Energy: 1.1727333336240324
Energy: 1.4637327641699283
Energy: 1.3810682843817763
Energy: 1.1778054340753017
Energy: 1.1768621918753528
Energy: 1.1787453962431567
Energy: 1.119978341291299
Energy: 1.481628492335683
Energy: 1.1204045548356913
Energy: 1.229429603917473
Energy: 1.2343445022576678
Energy: 1.2223912693734806
Energy: 1.1213124308390248
Energy: 1.1187760865357645
Energy: 1.1194580342939648
Energy: 1.605855592142728
Energy: 1.1176848470550325
Energy: 1.119990692823418
Energy: 1.1192815533509008
Energy: 1.1233858969718853
Energy: 1.1204417794590327
Energy: 1.225908707254403
Energy: 1.1798094765709097
Energy: 1.1202734122911606
Energy: 1.1200058664493129
Energy: 1.1251788081640495
Energy: 1.1204020780669457
Energy: 1.2330291337585968
Energy: 1.18068492370501
Energy: 1.120512049498729
Energy: 1.1201241725254312
Energy: 1.120051637094475
Energy: 1.1206193279470755
Energy: 1.1205851915830556
Energy: 1.1186028540712794
Energy: 1.1202702199773535
Energy: 1.120692709795969
Energy: 1.5994452023680141
Energy: 1.1209654473624866
Energy: 1.3953803212389453
Energy: 1.2885183156580213
Energy: 1.586113464837642
Energy: 1.1218576872740977
Energy: 1.6814462335543723
Energy: 1.120027884556852
Energy: 1.178020632029137
Energy: 1.1767658388021627
Energy: 1.383166486110211
Energy: 1.1184822478486354
Energy: 1.478638253486432
Energy: 1.2250645683243822
Energy: 1.1790945823061922
Energy: 1.1855831548092948
Energy: 1.1793753514521312
Energy: 1.121434520538099
Energy: 1.1191538185272651
Energy: 1.1787881633676192
Energy: 1.1779789018114935
Energy: 1.1800987619754748
Energy: 1.1781987731635661
Energy: 1.3886917531187646
Energy: 1.4741179542812257
Energy: 1.1775893991465927
Energy: 1.1804370314381156
Energy: 1.1753200453881096
Energy: 1.1755362829426774
Energy: 1.227919592439681
Energy: 1.1759980619967314
Energy: 1.1766089141728386
Energy: 1.1793030042699286
Energy: 1.1794868733201371
Energy: 1.1785392674910837
Energy: 1.177067653129831
Energy: 1.215644975693895
Energy: 1.1774966299456178
Energy: 1.1784420579375008
Energy: 1.1807011227566886
Energy: 1.1767888572384688
Energy: 1.1769935385657337
Energy: 1.4776459853585187
Energy: 1.1776495134482048
Energy: 1.1791460245845402
Energy: 1.2160443853004976
Energy: 1.3358865130328776
Energy: 1.1781488195294658
Energy: 1.4785782790786648
Energy: 1.1785104650004246
Energy: 1.1768538289413695
Energy: 1.2234904282282153
Energy: 1.1788718940243939
Energy: 1.178805201766733
Energy: 1.1823303498429247
Energy: 1.179776113020325
Energy: 1.1670231652586764
Energy: 1.614639847557178
Energy: 1.1765811903636367
Energy: 1.1776702135208992
Energy: 1.1806029435155974
Energy: 1.1799250794408471
Energy: 1.1746639547285243
Energy: 1.1192568338677138
Energy: 1.1796900248309348
Energy: 1.1799315348280583
Energy: 1.1817429115310567
Energy: 1.1783088168934952
Energy: 1.1219489153176814
Energy: 1.2159685235747024
Energy: 1.1774969872744863
Energy: 1.1782181575375672
Energy: 1.1772115585491167
Energy: 1.1775630716668959
Energy: 1.3812992344963975
Energy: 1.1204149686234601
Energy: 1.5759814993447065
Energy: 1.177835997975427
Energy: 1.234170463624645
Energy: 1.2189129461154018
Energy: 1.1211572366457117
Energy: 1.178959361515618
Energy: 1.1234088518576584
Energy: 1.2260880389324194
Energy: 1.7078846326006591
Energy: 1.120367822126148
Energy: 1.119563541001681
Energy: 1.1186260320007921
Energy: 1.1211011773539423
Energy: 1.608054739517404
Energy: 1.1794455703159574
Energy: 1.1198559061889521
Energy: 1.120149955856931
Energy: 1.121404123665292
Energy: 1.120566905869149
Energy: 1.22274847423087
Energy: 1.1760763301414456
Energy: 1.1206994624437003
Energy: 1.1202944772115178
Energy: 1.1262546531114321
Energy: 1.120624189396629
Energy: 1.2313915293326447
Energy: 1.4711226085530789
Energy: 1.1201256505520245
Energy: 1.1228047340451162
Energy: 1.1202173975608698
Energy: 1.120910929785631
Energy: 1.1185277259163569
Energy: 1.5063168668918911
Energy: 1.391309116988316
Energy: 1.1221817127605098
Energy: 1.1760281616393709
Energy: 1.1203982762626092
Energy: 1.2263784988742454
Energy: 1.1766060072768472
Energy: 1.1766493827582003
Energy: 1.123919515728
Energy: 1.1187580824306795
Energy: 1.2294392656866397
Energy: 1.177111285447544
Energy: 1.184743428814946
Energy: 1.1793310098560221
Energy: 1.1221558565849263
Energy: 1.176196273682221
Energy: 1.1761998151060729
Energy: 1.1789566286028295
Energy: 1.1848242889013765
Energy: 1.1788232933833005
Energy: 1.1771415123706936
Energy: 1.1197870529800962
Energy: 1.1789878805761485
Energy: 1.177964713139931
Energy: 1.176166863361946
Energy: 1.1755927259588708
Energy: 1.118911961845126
Energy: 1.1180854198346615
Energy: 1.1768676655248076
Energy: 1.1754884083505628
Energy: 1.4804520457112587
Energy: 1.1791854001291933
Energy: 1.1764014592035064
Energy: 1.2892335260838599
Energy: 1.1769542240286925
Energy: 1.1790003113661713
Energy: 1.2381559257783754
Energy: 1.1784578256446647
Energy: 1.1795086238954546
Energy: 1.215847664013307
Energy: 1.3371374322843468
Energy: 1.178854352382883
Energy: 1.2160994140132788
Energy: 1.177477471508081
Energy: 1.1780801695280063
Energy: 1.1781141914142252
Energy: 1.178300443958221
Energy: 1.1772718131758242
Energy: 1.2246212373459746
Energy: 1.1787651702977775
Energy: 1.178690870048729
Energy: 1.1789079613897762
Energy: 1.1782599670680813
Energy: 1.1797754920579864

minimum gb energy = 1.1176848470550325 eV
minimum distance =  2.21155138774843 Angstroms
sigma value = 81


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

Energy: 1.1279061767792409
Energy: 1.1283537577934573
Energy: 1.134441414991997
Energy: 1.1367907690952987
Energy: 1.4585447761762536
Energy: 1.128066544913709
Energy: 1.1283520961898654
Energy: 1.2616447633404737
Energy: 1.13496853005472
Energy: 1.1346841938106624
Energy: 1.1338282131390378
Energy: 1.262052508784791
Energy: 1.2637953595402556
Energy: 1.2620522314899756
Energy: 1.135128462420227
Energy: 1.1344941519484415
Energy: 1.135384955654657
Energy: 1.261825452503102
Energy: 1.2618534499955099
Energy: 1.2619391553773458
Energy: 1.1346591054949307
Energy: 1.1345582159686955
Energy: 1.262091052647416
Energy: 1.2619424958388747
Energy: 1.261359150363686
Energy: 1.2642669600772591
Energy: 1.1350177034401687
Energy: 1.128253668632653
Energy: 1.2638399062106465
Energy: 1.2622240594515661
Energy: 1.134269377180135
Energy: 1.1346295464300342
Energy: 1.1282399957640643
Energy: 1.1307677449659974
Energy: 1.2618386112389532
Energy: 1.134647212950722
Energy: 1.1345540829765544
Energy: 1.1346765354525312
Energy: 1.261663578057513
Energy: 1.1349860718796354
Energy: 1.2637694393374583
Energy: 1.1347449802188785
Energy: 1.1345314404210507
Energy: 1.135188889519887
Energy: 1.2617431596255926
Energy: 1.2618203526445009
Energy: 1.2616709887780366
Energy: 1.1350505660620165
Energy: 1.1350289207693594
Energy: 1.1344189874426138
Energy: 1.2619075970836071
Energy: 1.261957958788857
Energy: 1.262103229025876
Energy: 1.1346643980375983
Energy: 1.1282096444655794
Energy: 1.134844017379877
Energy: 1.2619331805826617
Energy: 1.261379774019059
Energy: 1.2629356064519976
Energy: 1.134506293860033

minimum gb energy = 1.1279061767792409 eV
minimum distance =  2.24339884259255 Angstroms
sigma value = 3


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

Energy: 2.2658065069237767
Energy: 1.1430061558177167
Energy: 1.1064490537457086
Energy: 1.1129249987912764
Energy: 1.1087747620637354
Energy: 1.1161475325704555
Energy: 1.0907762440441977
Energy: 1.1065569645901907
Energy: 1.1067747141552955
Energy: 1.3308542208886585
Energy: 1.1060489690642612
Energy: 1.3241398513146743
Energy: 1.3199749705641188
Energy: 1.214476253353285
Energy: 1.1065443394845518
Energy: 1.3340497602791026
Energy: 1.1070257211698562
Energy: 1.3190412040474568
Energy: 1.332481143442229
Energy: 1.106379018282762
Energy: 1.1092713419450024
Energy: 1.3207189745289891
Energy: 1.2101760591128154
Energy: 1.3468830897390325
Energy: 1.3320068682123165
Energy: 1.3242311274401644
Energy: 1.1066210389082112
Energy: 1.168870395282964
Energy: 1.10889485507811
Energy: 1.3216324644607922
Energy: 1.1650744837299492
Energy: 1.1697489146418063
Energy: 1.212038565009719
Energy: 1.1047182023609465
Energy: 1.31945138985381
Energy: 1.1639496163554035
Energy: 1.5277380599434132
Energy: 1.3335799937039348
Energy: 1.4100623119898403
Energy: 1.1074597778752102
Energy: 1.3238619151812832
Energy: 1.3318556291008787
Energy: 1.5305470408439528
Energy: 1.1069563309577588
Energy: 1.1071112102160556
Energy: 1.105743847946243
Energy: 1.1071055159948848
Energy: 1.1062858208701123
Energy: 1.3190806601070253
Energy: 1.106354087336909
Energy: 1.1053631046642598
Energy: 1.1072505516917077
Energy: 1.1055533392653571
Energy: 1.3882966189891546
Energy: 1.1600338635387075
Energy: 1.2206343496911911
Energy: 1.107356557437568
Energy: 1.10582635413781
Energy: 1.1080232511978285
Energy: 1.2137424509752774
Energy: 1.329690396258986
Energy: 1.2148181665175934
Energy: 1.1068286818560187
Energy: 1.1054476678470193
Energy: 1.1064735132492654
Energy: 1.3256458132218463
Energy: 1.1497791051006079
Energy: 1.106890949760523
Energy: 1.106369984583831
Energy: 1.1178664598135966
Energy: 1.1062719867538946
Energy: 1.1585036911337738
Energy: 1.106743705841421
Energy: 1.1068815361355528
Energy: 1.1067941324754231
Energy: 1.118122220070941
Energy: 1.1074791187118416
Energy: 1.106770248893113
Energy: 1.1058687347472251
Energy: 1.1051268356972292
Energy: 1.1058369639589525
Energy: 1.1645716183538255
Energy: 1.1055016420396975
Energy: 1.1052773783928822
Energy: 1.1056957938873502
Energy: 1.107506030718379
Energy: 1.1081586562312564
Energy: 1.3291373838348242
Energy: 1.1941935184180366
Energy: 1.1066101484335924
Energy: 1.1058775067057516
Energy: 1.1779496885920637
Energy: 1.1065572856630532
Energy: 1.3307416570147461
Energy: 1.1078848075259407
Energy: 1.1061183284735265
Energy: 1.1165743709130578
Energy: 1.106232075770052
Energy: 1.3189202917634064
Energy: 1.149768480196886
Energy: 1.3196099527621432
Energy: 1.091419353421656
Energy: 1.1171984758085656
Energy: 1.1089216389036105
Energy: 1.3166765306433506
Energy: 1.3201037839055023
Energy: 1.1086932749648717
Energy: 1.0912422986202037
Energy: 1.3198681391469165
Energy: 1.2103253115324144
Energy: 1.346521743563642
Energy: 1.3347006718159597
Energy: 1.1091089822608795
Energy: 1.318994132866924
Energy: 1.330488686425609
Energy: 1.1070567970918477
Energy: 1.1065695585642878
Energy: 1.330349736775978
Energy: 1.2167138249272096
Energy: 1.1064387667300646
Energy: 1.3294784155490742
Energy: 1.3335181275809365
Energy: 1.2100602417824529
Energy: 1.105976105736711
Energy: 1.3213604308166857
Energy: 1.3321143243053581
Energy: 1.1062051015430587
Energy: 1.3200324207321
Energy: 1.1035945496196544
Energy: 1.1046869881985928
Energy: 1.319698759405121
Energy: 1.1064735575655438
Energy: 1.322122424059139
Energy: 1.3191671578384578
Energy: 1.2002674226446237
Energy: 1.157356788279088
Energy: 1.2016884845939249
Energy: 1.3196292859276468
Energy: 1.5279317969831379
Energy: 1.541084977096394
Energy: 1.1075707115416484
Energy: 1.1071148932641548
Energy: 1.1068211177595622
Energy: 1.5698853626545508
Energy: 1.3226331120947141
Energy: 1.1938115579621729
Energy: 1.1063778381457343
Energy: 1.106095900357826
Energy: 1.1068439082649388
Energy: 1.389315003494986
Energy: 1.169813915182524
Energy: 1.1075072995092967
Energy: 1.106087535338603
Energy: 1.1057813564929353
Energy: 1.1065862642161257
Energy: 1.1074009343528213
Energy: 1.3296904637283018
Energy: 1.2168035795896177
Energy: 1.1068746213127854
Energy: 1.1068653787071379
Energy: 1.1067122117748478
Energy: 1.3273968955254278
Energy: 1.1601394956095077
Energy: 1.106859805312622
Energy: 1.1073952065762147
Energy: 1.1184839181646535
Energy: 1.2218462685444218
Energy: 1.1060657879729487
Energy: 1.106496403626587
Energy: 1.1076935587480705
Energy: 1.1178331053520847
Energy: 1.1218558869842263
Energy: 1.1066288522030807
Energy: 1.1075168463820382
Energy: 1.1059201181300835
Energy: 1.1060076419323082
Energy: 1.107681652275574
Energy: 1.1639432275336292
Energy: 1.1064024047258212
Energy: 1.1059317005106233
Energy: 1.1059113984901898
Energy: 1.1061374809928928
Energy: 1.1926460538903783
Energy: 1.3214733332061668
Energy: 1.1064468069600326
Energy: 1.1061241496105705
Energy: 1.1077030868158777
Energy: 1.1081698668115416
Energy: 1.3445100507383902
Energy: 1.3479229516821876
Energy: 1.201369932383361
Energy: 1.107571884484351
Energy: 1.0908841986404996
Energy: 1.1932809427825046
Energy: 1.3196132760198882
Energy: 1.3224569184076218
Energy: 1.1066484102637477
Energy: 1.205491016636881

minimum gb energy = 1.0907762440441977 eV
minimum distance =  2.24660822228683 Angstroms
sigma value = 67


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

Energy: 1.6097979338663229
Energy: 1.0742723663179545
Energy: 1.2864319518456593
Energy: 1.293553412569154
Energy: 1.2869358853315345
Energy: 1.0744542204714334
Energy: 1.051452341679685
Energy: 1.1203335261879162
Energy: 1.0524842780649528
Energy: 1.3218624194409767
Energy: 1.0522193757464342
Energy: 1.0513399254231321
Energy: 1.0579166121760755
Energy: 1.1247641358309866
Energy: 1.052732439497773
Energy: 1.323070109766221
Energy: 1.0519137720722038
Energy: 1.052266368776161
Energy: 1.3242371798458734
Energy: 1.0522382112938775
Energy: 1.1187096152529656
Energy: 1.0513691880543758
Energy: 1.1259352501181432
Energy: 1.3656326768589069
Energy: 1.326373644689633
Energy: 1.0519403848153381
Energy: 1.135237200015791
Energy: 1.086035605028442
Energy: 1.120806295188124
Energy: 1.0541440412053906
Energy: 1.2946741696800108
Energy: 1.0877353778695025
Energy: 1.3216628205080594
Energy: 1.3202998257407017
Energy: 1.0517523779578704
Energy: 1.0893549739356714
Energy: 1.5912302066954889
Energy: 1.0569280681193547
Energy: 1.4045715355499229
Energy: 1.0550920238761745
Energy: 1.414894100535236
Energy: 1.0532493670537564
Energy: 1.5766332343974114
Energy: 1.052882592482139
Energy: 1.0527671273427857
Energy: 1.0532092225769032
Energy: 1.0526712192772443
Energy: 1.3261449020361833
Energy: 1.0870787042237202
Energy: 1.0513937900033892
Energy: 1.0509081832087164
Energy: 1.0521785875522067
Energy: 1.0509504767680637
Energy: 1.085442960429832
Energy: 1.0540297417718874
Energy: 1.053644527432398
Energy: 1.0527928398671667
Energy: 1.052010338195693
Energy: 1.0527836355400864
Energy: 1.0533733837406891
Energy: 1.3227654241658866
Energy: 1.0525069265521263
Energy: 1.0537010274400365
Energy: 1.053580329467238
Energy: 1.1182521593641426
Energy: 1.052848972556978
Energy: 1.0881186699736813
Energy: 1.051808481869275
Energy: 1.0497313256813847
Energy: 1.0502912613111015
Energy: 1.0525176762249249
Energy: 1.0862902206150264
Energy: 1.0513776023459913
Energy: 1.0587312521623142
Energy: 1.0496749920488888
Energy: 1.0505382057811907
Energy: 1.1129141331286814
Energy: 1.0601282446578915
Energy: 1.3221453562985588
Energy: 1.052522669945085
Energy: 1.1121956637860315
Energy: 1.290060749224103
Energy: 1.0518404152816374
Energy: 1.0538409380574112
Energy: 1.321216561368759
Energy: 1.1225981239047618
Energy: 1.0533335053478479
Energy: 1.3249531367940957
Energy: 1.1216804832554357
Energy: 1.0516360312616797
Energy: 1.052177736665091
Energy: 1.1179252751469975
Energy: 1.056580588264338
Energy: 1.3274483266650892
Energy: 1.3246254169330625
Energy: 1.0524758014829128
Energy: 1.3268945262380638
Energy: 1.0530877662827967
Energy: 1.0528506192469023
Energy: 1.052472296109789
Energy: 1.0590602234540978
Energy: 1.3195351443403407
Energy: 1.32558782178286
Energy: 1.0524454263508924
Energy: 1.0528295681120572
Energy: 1.0710343910356945
Energy: 1.057716290437119
Energy: 1.0534863776514374
Energy: 1.0517909900891684
Energy: 1.0528712685521533
Energy: 1.6665254846618105
Energy: 1.0500004873646063
Energy: 1.409950535753049
Energy: 1.0562637558803798
Energy: 1.0607897388623446
Energy: 1.0525380329763605
Energy: 1.0520540662211986
Energy: 1.06222971535911
Energy: 1.0537426477139316
Energy: 1.052520467251041
Energy: 1.0527241680704726
Energy: 1.0516730673715242
Energy: 1.0529764288156813
Energy: 1.2912966954994467
Energy: 1.0512083861299937
Energy: 1.0517603222650826
Energy: 1.053153377227943
Energy: 1.0536739018373606
Energy: 1.0527827668596708
Energy: 1.323311706517466
Energy: 1.120497387492302
Energy: 1.0533590484496216
Energy: 1.0532931467884075
Energy: 1.0550426506441402
Energy: 1.0530383868297746
Energy: 1.1129732480797057
Energy: 1.0525302480238121
Energy: 1.0514508266568492

minimum gb energy = 1.0496749920488888 eV
minimum distance =  2.23887535436061 Angstroms
sigma value = 33


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

Energy: 2.3887567203175166
Energy: 1.3323182367711601
Energy: 1.4087465238503358
Energy: 1.416737795816698
Energy: 1.408896456566662
Energy: 0.9892135678694296
Energy: 1.152978229300715
Energy: 1.2248061394415148
Energy: 1.4130168233443314
Energy: 1.4148661944825356
Energy: 1.2238563442659913
Energy: 1.0641133323320453
Energy: 1.1553929476239961
Energy: 0.992151532762617
Energy: 0.9941009274252286
Energy: 1.3132703763265174
Energy: 1.0689536677388443
Energy: 1.1554808177341642
Energy: 1.1589013013596847
Energy: 1.1687494569089099
Energy: 1.2247144530024971
Energy: 1.4146254282168682
Energy: 0.9921730792007717
Energy: 1.170544408962356
Energy: 1.158523092274802
Energy: 1.1553629465694675
Energy: 0.9937482252318367
Energy: 1.157235283233869
Energy: 1.1753618374217913
Energy: 1.1550672585064525
Energy: 0.9955144406422967
Energy: 0.990942142331435
Energy: 1.389607860765761
Energy: 1.4097813841249296
Energy: 1.1569414472049118
Energy: 0.9951385455806624
Energy: 0.9922035892376994
Energy: 1.1575043140161414
Energy: 1.1540146022661624
Energy: 0.9986775414743755
Energy: 0.9926393812511376
Energy: 1.3140396381306552
Energy: 0.9903540895393779
Energy: 1.0630891647127314
Energy: 1.1548144805529785
Energy: 1.1540874930750422
Energy: 1.1552024085272583
Energy: 1.3141953060573004
Energy: 1.4139235421490983
Energy: 0.9920937766395566
Energy: 0.9925097767682415
Energy: 1.156061656773882
Energy: 0.9943325940737914
Energy: 1.3168093554292049
Energy: 1.415896623962347
Energy: 1.0672008158612123
Energy: 1.1744188515407799
Energy: 1.1565763103924684
Energy: 0.9931079369419799
Energy: 0.9925661755751808
Energy: 1.4151263091887532
Energy: 0.9933143676750853
Energy: 0.9921979608140404
Energy: 1.1573450241569618
Energy: 1.0697972124177209
Energy: 1.3612076489922422
Energy: 1.4122922788737537
Energy: 1.412368606673455
Energy: 0.9921407191122108
Energy: 1.155224679550278
Energy: 0.9922180420867194
Energy: 1.4125805669891114
Energy: 1.241482632454548
Energy: 1.4126050395116045
Energy: 0.992539139004181
Energy: 1.1553984576330578
Energy: 0.9918489419834253
Energy: 1.2446632436182825
Energy: 1.4892580721249578
Energy: 0.9931905065263718
Energy: 0.992414527362594
Energy: 0.9952869936036249
Energy: 0.9926174926073809
Energy: 1.4682323426673844
Energy: 1.488833177683736
Energy: 0.9914075038847436
Energy: 0.9932189153668077
Energy: 0.9979217127579765
Energy: 0.9932466661140423
Energy: 1.0664332405217438
Energy: 1.4941929672622147
Energy: 0.9904168899385385
Energy: 0.9906477035219481
Energy: 0.9918738796450801
Energy: 0.9902361167583538
Energy: 1.2223795541029367
Energy: 1.4119941098111386
Energy: 0.9926958186866401
Energy: 0.9924315049934859
Energy: 0.9933535141833345
Energy: 0.9927638878254493
Energy: 1.165818388604634
Energy: 1.2553594660982554
Energy: 1.2263978402607354
Energy: 0.9920912866234859
Energy: 0.9966306731043683
Energy: 0.994527994957495
Energy: 1.412802402823062
Energy: 1.2013134183108538
Energy: 1.2328446139706062
Energy: 1.3230224813145068
Energy: 1.311656260826516
Energy: 1.4105896426072135
Energy: 1.231756861673942
Energy: 1.4145713989235655
Energy: 1.2241932716905555
Energy: 1.226725602543683
Energy: 1.153480739754594
Energy: 1.226019967371641
Energy: 1.4130755055144313
Energy: 1.3132352278457673
Energy: 0.9943375747377398
Energy: 1.1744954523436653
Energy: 1.1558028676246763
Energy: 1.0672803199390577
Energy: 1.1729311496972394
Energy: 1.4131276579471204
Energy: 1.0600739166952158
Energy: 1.1590484831071461
Energy: 1.1593364264148494
Energy: 0.9919017996957797
Energy: 1.1551129502872228
Energy: 1.1568282548702369
Energy: 0.9957403802652295
Energy: 1.1552090859346655
Energy: 1.157603818440943
Energy: 0.9938698451145052
Energy: 1.155410700497288
Energy: 1.2025569175033595
Energy: 1.1663459883698177
Energy: 1.1571293430128922
Energy: 1.153954637096381
Energy: 0.9906934577849812
Energy: 1.2618450522483207
Energy: 1.001927326618178
Energy: 1.155136052909145
Energy: 1.1549757700538827
Energy: 0.9919265544920087
Energy: 1.1749967316742502
Energy: 1.1739383492648898
Energy: 1.1588636360915758
Energy: 1.156316956023037
Energy: 0.9908013219936445
Energy: 1.4862667198216695
Energy: 0.9985930350675812
Energy: 1.1544659071074146
Energy: 1.1542652673767286
Energy: 0.9925598900148677
Energy: 0.9908569476200173
Energy: 1.41301962070851
Energy: 0.9923136860684142
Energy: 1.1563109197776413
Energy: 1.15513269600824
Energy: 1.1741679962798108
Energy: 1.2237819632319278
Energy: 1.4152948977051152
Energy: 1.0698318261305542
Energy: 1.175170500612644
Energy: 1.1533575361027273
Energy: 1.0595399427995613
Energy: 1.5483414321061275
Energy: 1.413306655322117
Energy: 1.547932752239998
Energy: 1.1543529261040602
Energy: 1.151730641711689
Energy: 0.9921508529282257
Energy: 1.412835795388139
Energy: 1.4133292282408678
Energy: 1.444632400270106
Energy: 1.1725149282676812
Energy: 1.1556481406758818
Energy: 0.9921117376618952
Energy: 1.4114354778034075
Energy: 1.241922569842982
Energy: 1.4124324538489763
Energy: 1.1526107054045338
Energy: 0.9959883715185384
Energy: 0.9935929465849156
Energy: 0.9934883033011027
Energy: 1.489282496293511
Energy: 0.9938551604544541
Energy: 0.9930464011953535
Energy: 0.9937265828984755
Energy: 0.993886362434714
Energy: 1.067837970287116
Energy: 1.4893300327201549
Energy: 0.9918496118030119
Energy: 0.9940280514927395
Energy: 0.9902795438325928
Energy: 0.9901615569855062
Energy: 0.990847680831976
Energy: 1.4931103269962984
Energy: 0.9901257410332115
Energy: 0.9905984230968916
Energy: 0.9923774247603946
Energy: 0.9923208005823206
Energy: 1.066477069564099
Energy: 1.2449450854139035
Energy: 0.9923612843662671
Energy: 0.9900737360673597
Energy: 0.9957981707940387
Energy: 0.9924281796900376
Energy: 1.3625127043613536
Energy: 1.2535707636902182
Energy: 1.223687289620008
Energy: 0.9949370336818378
Energy: 0.9905218840672226
Energy: 0.9910231693763338
Energy: 1.23510212517619
Energy: 0.9978560511156661
Energy: 1.4109812660269982
Energy: 1.312941513794347

minimum gb energy = 0.9892135678694296 eV
minimum distance =  2.17609010209616 Angstroms
sigma value = 41


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

Energy: 1.8129669458651392
Energy: 1.7662061096059936
Energy: 1.1373534565608976
Energy: 1.140658530644036
Energy: 1.1370070338417508
Energy: 1.7637402544650087
Energy: 1.4606056842230477
Energy: 0.8694027502695072
Energy: 0.8660220280291978
Energy: 1.1428437216316076
Energy: 0.8689298610203935
Energy: 1.1443850175583847
Energy: 1.1638121261718906
Energy: 0.8700234963712379
Energy: 0.865865389232296
Energy: 0.8085787490321237
Energy: 0.8699617324817992
Energy: 1.1444203708087168
Energy: 1.1424899220416802
Energy: 0.8667836001974344
Energy: 0.8656804133172151
Energy: 1.1572614713085945
Energy: 0.8697199664995572
Energy: 1.2981710907110382
Energy: 1.1627221653272983
Energy: 1.1464453245033919
Energy: 0.8705483208059155
Energy: 1.1514528833944255
Energy: 0.8683353638716091
Energy: 1.1455929732618648
Energy: 1.1408623061001357
Energy: 1.1372543256859384
Energy: 1.138206229016828
Energy: 1.1316026492942577
Energy: 1.140140945930154
Energy: 1.1388158717169132
Energy: 1.4610388518232686
Energy: 1.1524637466749823
Energy: 0.8657259147963369
Energy: 1.1464590992797568
Energy: 0.8673509752254968
Energy: 1.4617674349062693
Energy: 1.4622526916015615
Energy: 0.8699746945408906
Energy: 1.1401689409245863
Energy: 1.1491159652985568
Energy: 0.8692152722366017
Energy: 1.461951584317838
Energy: 1.1477987369653022
Energy: 0.870030237360832
Energy: 0.8661811740057644
Energy: 0.808582365287845
Energy: 0.8694956507769649
Energy: 1.1402694399205844
Energy: 1.1415095019303443
Energy: 0.870253329756682
Energy: 0.8659537156341556
Energy: 1.142316361060078
Energy: 0.8696756071195673
Energy: 1.1509470852454864
Energy: 1.1444839961880404
Energy: 0.8641539324314921
Energy: 0.8653936313618077
Energy: 1.1452303837387758
Energy: 0.8703084868899386
Energy: 1.1420341578456548
Energy: 1.1443430346147796
Energy: 1.1413988953162328
Energy: 0.8703125978929577
Energy: 1.1319478293447642
Energy: 0.8680030391372261
Energy: 1.141461535285816
Energy: 1.1503143522382393
Energy: 1.142319376247927
Energy: 0.8702666467948781
Energy: 1.1402218068646004
Energy: 0.8682033495932623
Energy: 1.140701863329147
Energy: 1.4634752809838876
Energy: 0.8642102865041619
Energy: 1.1379187129094992
Energy: 1.1454439625473143
Energy: 0.8704901054072826
Energy: 1.4624816506823843

minimum gb energy = 0.8085787490321237 eV
minimum distance =  2.29665054386605 Angstroms
sigma value = 11


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

Energy: 2.126246381007449
Energy: 1.1008243821180215
Energy: 1.2580451761468674
Energy: 1.2609541552792556
Energy: 1.1028601170378216
Energy: 1.11356337873635
Energy: 1.0966841559031675
Energy: 1.1076805158208969
Energy: 1.1044140921289871
Energy: 1.1030279147798427
Energy: 1.1758321936681655
Energy: 1.1219570848310763
Energy: 1.107402149589278
Energy: 1.1066264864001258
Energy: 1.175143621061299
Energy: 1.098783239252551
Energy: 1.175727337896045
Energy: 1.106582325903925
Energy: 1.1086413459414248
Energy: 1.1085452318618068
Energy: 1.1775888340820846
Energy: 1.1034857525135466
Energy: 1.109440522586225
Energy: 1.1077918790475139
Energy: 1.107955922879089
Energy: 1.1075126810194964
Energy: 1.175945055328285
Energy: 1.1025307398114965
Energy: 1.108239368209293
Energy: 1.1073903026336969
Energy: 1.1086062659937976
Energy: 1.1073528693268266
Energy: 1.1744669391681253
Energy: 1.1015784359197087
Energy: 1.1756065085344118
Energy: 1.1078751030051754
Energy: 1.108575778902887
Energy: 1.1089958629204881
Energy: 1.0999312800884122
Energy: 1.101017705871328
Energy: 1.099615861671468
Energy: 1.1717955978670853
Energy: 1.105051808437271
Energy: 1.1078094965951801
Energy: 1.1077393323919356
Energy: 1.1077929740147094
Energy: 1.107559674170459
Energy: 1.0964888870965666
Energy: 1.1088562236352488
Energy: 1.1068827396479222
Energy: 1.1763269020267995
Energy: 1.0975371676082788
Energy: 1.107857470266565
Energy: 1.1067558027009166
Energy: 1.1072723272386968
Energy: 1.1078547287436782
Energy: 1.1760978416284857
Energy: 1.0977572231054304
Energy: 1.1081834604804321
Energy: 1.107704458308186
Energy: 1.1095588276093649
Energy: 1.1086281487096212
Energy: 1.18979361436075
Energy: 1.109256763463258
Energy: 1.18700239519188
Energy: 1.109972713786415
Energy: 1.1079168206745564
Energy: 1.1750467925074355
Energy: 1.108185011362723
Energy: 1.110032184261728
Energy: 1.1747236165183446
Energy: 1.1085767226668943
Energy: 1.111172867997242
Energy: 1.1075807430851625
Energy: 1.1072301829155289
Energy: 1.1102946168930994
Energy: 1.1079963730743372
Energy: 1.1087892429076691
Energy: 1.098787010745522
Energy: 1.1083105810739518
Energy: 1.1075716611769124
Energy: 1.1073374615826537
Energy: 1.1078831525275816
Energy: 1.1751605614987009
Energy: 1.1100419716516954
Energy: 1.1760933300847276
Energy: 1.107932114793496
Energy: 1.1080917704394113
Energy: 1.1073991669827683
Energy: 1.0999773036638005
Energy: 1.1073227058947677
Energy: 1.1076318141873656
Energy: 1.18934273672242
Energy: 1.0959679446021833
Energy: 1.1081344502130395
Energy: 1.1104848318165133
Energy: 1.102347468149517
Energy: 1.1745429327749533
Energy: 1.1076707891560038
Energy: 1.0967019875134045
Energy: 1.1086904808324192
Energy: 1.0999489355677683
Energy: 1.0993252969506702
Energy: 1.3459789398943152
Energy: 1.106010845151173
Energy: 1.1064891198532352
Energy: 1.108003685097425
Energy: 1.0982754643983301
Energy: 1.1033244066489054
Energy: 1.108387977751046
Energy: 1.1085785894605054
Energy: 1.1253245703086723
Energy: 1.1085991358375527
Energy: 1.0993831688589466
Energy: 1.103366204321625
Energy: 1.1081677235613385
Energy: 1.1077102963674386
Energy: 1.1087944630005024
Energy: 1.1085268567270021
Energy: 1.099469648536284
Energy: 1.1011600769595178
Energy: 1.185483526862598
Energy: 1.109344201355042
Energy: 1.1057394890564358
Energy: 1.1083085299433577
Energy: 1.1735256670728849
Energy: 1.10128995529426
Energy: 1.1000556726746293
Energy: 1.1083799055506902
Energy: 1.1041240738043163
Energy: 1.175106067041868
Energy: 1.1001646509407228
Energy: 1.1072643534283033
Energy: 1.1075405285560074
Energy: 1.1047509416673678
Energy: 1.0976976496625093
Energy: 1.0993181263040883
Energy: 1.112109261424588
Energy: 1.097801664692905
Energy: 1.1765568198505445
Energy: 1.1064247299242198
Energy: 1.109895754423629
Energy: 1.1075163935496652
Energy: 1.0971010476332836
Energy: 1.0974814403625737
Energy: 1.1080038560452774
Energy: 1.1079359557964756
Energy: 1.1095431495544292
Energy: 1.1078703440465023
Energy: 1.1702556442313385
Energy: 1.1096799711820038
Energy: 1.1859808730686427
Energy: 1.1096229448211976
Energy: 1.109150499281817
Energy: 1.1087520714996284
Energy: 1.1074556606909423
Energy: 1.111186201214698
Energy: 1.1082685097074279
Energy: 1.1078190431230754
Energy: 1.1081522049454338
Energy: 1.1778392360273662
Energy: 1.1086718055652638
Energy: 1.110245679142061
Energy: 1.1104166336765617
Energy: 1.1860761849528647
Energy: 1.1107030109044282
Energy: 1.108032493894522
Energy: 1.1110729277206646
Energy: 1.1083390722622257
Energy: 1.1079077072591794
Energy: 1.1764109898464397
Energy: 1.096750897762405
Energy: 1.1077706224783324
Energy: 1.107544715105437
Energy: 1.1099037015969906
Energy: 1.1076426090800002
Energy: 1.1762455138023769
Energy: 1.1100754025374968
Energy: 1.1752125880193902
Energy: 1.1065503348496109
Energy: 1.0951185495719993
Energy: 1.1078568266415831
Energy: 1.1073359747272118
Energy: 1.1076279051929132
Energy: 1.1077275563715019
Energy: 1.0994619390190725

minimum gb energy = 1.0951185495719993 eV
minimum distance =  2.22599990763531 Angstroms
sigma value = 57


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

Energy: 2.2865084850430617
Energy: 1.2205929227638657
Energy: 1.1820832494820621
Energy: 1.1824357843554123
Energy: 1.181814962230698
Energy: 1.2191530356582077
Energy: 1.1654982418024116
Energy: 1.2356571849299534
Energy: 1.235416301066742
Energy: 1.181410285605992
Energy: 1.2383032197120565
Energy: 1.1825528541018628
Energy: 1.1811760908046363
Energy: 1.1822496761080936
Energy: 1.23560267897386
Energy: 1.1658900886885113
Energy: 1.2360533086907428
Energy: 1.181847123133925
Energy: 1.1815331165721776
Energy: 1.1823232261392935
Energy: 1.2355458651250435
Energy: 1.1813962660250172
Energy: 1.18343292781847
Energy: 1.182040463745976
Energy: 1.1827878108922827
Energy: 1.1819576588730898
Energy: 1.235536739115201
Energy: 1.18075930292738
Energy: 1.2362990651472794
Energy: 1.1823382955067923
Energy: 1.1807159651940824
Energy: 1.2356032739352876
Energy: 1.2356460327144467
Energy: 1.181408075562181
Energy: 1.235595738330855
Energy: 1.1823666851894987
Energy: 1.1781841422375947
Energy: 1.2364531305362314
Energy: 1.1817216959469807
Energy: 1.1814319074569288
Energy: 1.1817725179415333
Energy: 1.2351669568499746
Energy: 1.1784167172094322
Energy: 1.2354789543155085
Energy: 1.1822851547618694
Energy: 1.1807464537648982
Energy: 1.1817131919540933
Energy: 1.235580950035954
Energy: 1.1810456520854722
Energy: 1.18296259561256
Energy: 1.1669009851395604
Energy: 1.1657793952074618
Energy: 1.2356192237226729
Energy: 1.1824118627049591
Energy: 1.1809820104971234
Energy: 1.1815942276410647
Energy: 1.1664189289799285
Energy: 1.1656405962143062
Energy: 1.2355944552273792
Energy: 1.1819032712213187
Energy: 1.1656067034027475
Energy: 1.2354820491896046
Energy: 1.1815260995048704
Energy: 1.1808724498301917
Energy: 1.4091227268352724
Energy: 1.2358079356597476
Energy: 1.1655519842451272
Energy: 1.2362059159441912
Energy: 1.1819594711315593
Energy: 1.1832001618714054
Energy: 1.1817095170860703
Energy: 1.2352276964712423
Energy: 1.1829849791256102
Energy: 1.1820152682087415
Energy: 1.18204693120273
Energy: 1.1818182150832084
Energy: 1.182414209253312
Energy: 1.181555192998497
Energy: 1.1811853102709942
Energy: 1.2363557483901875
Energy: 1.1816031424550444
Energy: 1.1814510414454265
Energy: 1.180875193813966
Energy: 1.2358741658652157
Energy: 1.181257803795701
Energy: 1.2353327708269328
Energy: 1.2359540249197727
Energy: 1.1810111951443432
Energy: 1.2359014555466745
Energy: 1.182454402604129
Energy: 1.2520684309421197
Energy: 1.1817095280110943
Energy: 1.232949006130887
Energy: 1.1789444858659197
Energy: 1.1815143220512685
Energy: 1.1821248596615535
Energy: 1.1653936470194548
Energy: 1.1812835061812552
Energy: 1.235645916108558
Energy: 1.1811207957777328
Energy: 1.237476088838227
Energy: 1.1825905936761423

minimum gb energy = 1.1653936470194548 eV
minimum distance =  2.23579758696869 Angstroms
sigma value = 9


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

Energy: 2.4607846495783003
Energy: 1.2524497848357972
Energy: 1.28932520992038
Energy: 1.2908854757469634
Energy: 1.2892169515895622
Energy: 1.250757449657337
Energy: 1.3088829352861728
Energy: 1.417200238878638
Energy: 1.2608918510913472
Energy: 1.2716670681636455
Energy: 1.4192668141964146
Energy: 1.2608146843960004
Energy: 1.2504857859720149
Energy: 1.2483855521227096
Energy: 1.5144806975572682
Energy: 1.2310103099243312
Energy: 1.4162084247912912
Energy: 1.2484873828768543
Energy: 1.2633115172937408
Energy: 1.2648142555612896
Energy: 1.319019985652738
Energy: 1.2532077466843428
Energy: 1.400346526479453
Energy: 1.264803880689944
Energy: 1.2493406030797285
Energy: 1.318345888881221
Energy: 1.319108751995792
Energy: 1.2667666484015088
Energy: 1.3185069642098766
Energy: 1.4019074688084066
Energy: 1.2546869703858847
Energy: 1.3193529789357756
Energy: 1.2503283239819607
Energy: 1.2481435119751405
Energy: 1.4044847910574916
Energy: 1.253552491849396
Energy: 1.3056102227635358
Energy: 1.2663345574136335
Energy: 1.265455918497163
Energy: 1.2652848951064064
Energy: 1.2676018363464807
Energy: 1.264072259654724
Energy: 1.305789535578795
Energy: 1.3071657378737
Energy: 1.2490841038536107
Energy: 1.2474922575577383
Energy: 1.4009895449978793
Energy: 1.2531763046847257
Energy: 1.3050383492987014
Energy: 1.2720795255100608
Energy: 1.3076466147284214
Energy: 1.2940676138763212
Energy: 1.415977819315809
Energy: 1.3058566070152184
Energy: 1.2876852713883704
Energy: 1.2543863332246432
Energy: 1.3092251108447939
Energy: 1.2945191346650922
Energy: 1.4159356577110422
Energy: 1.2892342211549193
Energy: 1.332300206282172
Energy: 1.4157524647531305
Energy: 1.2495126473794471
Energy: 1.2878665790263093
Energy: 1.2491906126303398
Energy: 1.26030059634034
Energy: 1.3329195858419782
Energy: 1.3085205169962304
Energy: 1.271895724628787
Energy: 1.307688634739872
Energy: 1.2624376186927544
Energy: 1.2727462564880856
Energy: 1.247225391933919
Energy: 1.2491059642817237
Energy: 1.3082942675453675
Energy: 1.2326278870230822
Energy: 1.4163097594503684
Energy: 1.249059002429108
Energy: 1.2663975611085942
Energy: 1.2683121218359428
Energy: 1.321821286874141
Energy: 1.2595435009455809
Energy: 1.2655600257920363
Energy: 1.2647077187443112
Energy: 1.248091539387154
Energy: 1.4040237153265485
Energy: 1.3193001333196546
Energy: 1.2654318897676167
Energy: 1.3197116042109043
Energy: 1.4005919840836412
Energy: 1.2642377959855373
Energy: 1.3188048569338404
Energy: 1.4109698637239798
Energy: 1.4021528689426481
Energy: 1.4154370231142857
Energy: 1.2541096159152387
Energy: 1.2604184298306085
Energy: 1.4005355550079308
Energy: 1.2657664839379652
Energy: 1.2651878417556481
Energy: 1.2680668525910217
Energy: 1.2479839737897866
Energy: 1.2961001367878853
Energy: 1.4007867927580453
Energy: 1.2491610580053947
Energy: 1.2479008478019091
Energy: 1.2489703988232423
Energy: 1.4008439158949633
Energy: 1.3057792372773034
Energy: 1.260949930990865
Energy: 1.2642205608981292
Energy: 1.2766123207510007
Energy: 1.3079686757554347
Energy: 1.2611117620097188
Energy: 1.287844955693581
Energy: 1.2898009387341793
Energy: 1.2736212257201196
Energy: 1.2939961732877148
Energy: 1.2491453485565829
Energy: 1.2896520419412276
Energy: 1.3327677751055629
Energy: 1.410499501134369
Energy: 1.2485069637197304
Energy: 1.288418218298818
Energy: 1.4177036764257198
Energy: 1.2605258409029056

minimum gb energy = 1.2310103099243312 eV
minimum distance =  2.23021429454273 Angstroms
sigma value = 27


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

Energy: 1.3387589105754625
Energy: 1.272471722722597
Energy: 1.311009835592294
Energy: 1.311267017767036
Energy: 1.3109659955661814
Energy: 1.2728121203822518
Energy: 1.267287072724756
Energy: 1.2665701181581779
Energy: 1.3100569021322375
Energy: 1.320404695858074
Energy: 1.30575130359434
Energy: 1.2789783811138575
Energy: 1.265785224539031
Energy: 1.2658772326205778
Energy: 1.2586478600579023
Energy: 1.2457328349804089
Energy: 1.2658898926786724
Energy: 1.2676522007693254
Energy: 1.284708272541306
Energy: 1.2659138746267875
Energy: 1.3006918648950836
Energy: 1.2805388724414235
Energy: 1.4050528663067638
Energy: 1.2671332967325564
Energy: 1.2568234465315973
Energy: 1.3908743888662918
Energy: 1.2804179598044843
Energy: 1.2944293045313853
Energy: 1.359050832983461
Energy: 1.5108211565293
Energy: 1.2702193903051222
Energy: 1.2693596295670815
Energy: 1.2804121388642447
Energy: 1.2815028601295895
Energy: 1.3586717458696154
Energy: 1.2688859187367723
Energy: 1.249250280759481
Energy: 1.3490845064864836
Energy: 1.3502211898766974
Energy: 1.2819549555876615
Energy: 1.3499494475213214
Energy: 1.2573840773500682
Energy: 1.248539607731413
Energy: 1.4442644005141634
Energy: 1.2822059343057417
Energy: 1.2805950149350342
Energy: 1.2683469664146347
Energy: 1.2486621634400679
Energy: 1.2478696301288106
Energy: 1.2479010741851062
Energy: 1.3047754995778191
Energy: 1.314891260728111
Energy: 1.3043430739823425
Energy: 1.248122532371274
Energy: 1.247523584389524
Energy: 1.233167147580783
Energy: 1.2330664474503703
Energy: 1.3145105918836593
Energy: 1.249145857731133
Energy: 1.2335711319844724
Energy: 1.295122670404958
Energy: 1.2331297678857673
Energy: 1.31486986861411
Energy: 1.3159194577639801
Energy: 1.2824589230141494
Energy: 1.2453134745664123
Energy: 1.3079963994363912
Energy: 1.3070575663422943
Energy: 1.2799861503246184
Energy: 1.315315831419134
Energy: 1.2338622598053979
Energy: 1.2348746783937115
Energy: 1.2478830519762472
Energy: 1.2509133519837536
Energy: 1.233656235566513
Energy: 1.2328045508168657
Energy: 1.233518976885195
Energy: 1.2499856489192072
Energy: 1.2475747503068835
Energy: 1.2341380405869844
Energy: 1.2372683557513027
Energy: 1.319332545664495
Energy: 1.2346518006970506
Energy: 1.2333413411036138
Energy: 1.2454226466847145
Energy: 1.5814808795354647
Energy: 1.2747629369859808
Energy: 1.2737157167826725
Energy: 1.273279676809482
Energy: 1.2480810062927692
Energy: 1.2796592163055625
Energy: 1.3066531102543186
Energy: 1.2727597177298198
Energy: 1.2719278141986017
Energy: 1.2730197711692193
Energy: 1.235588611425254
Energy: 1.2479335494279582
Energy: 1.2480976343409673
Energy: 1.3857354955464418
Energy: 1.2576328330213953
Energy: 1.3476732955317725
Energy: 1.249349502630554
Energy: 1.2481183897536676
Energy: 1.3832137695718616
Energy: 1.251415003467194
Energy: 1.2710067212630438
Energy: 1.3821610689581676
Energy: 1.3378765427296904
Energy: 1.2490220073400193
Energy: 1.3711537216966228
Energy: 1.274641631777766
Energy: 1.2756376934957951
Energy: 1.3770744637438266
Energy: 1.2482094136603512
Energy: 1.2477657980754555
Energy: 1.2820664397293091
Energy: 1.514079485397764
Energy: 1.2707711673869926
Energy: 1.5133540783313513
Energy: 1.2492736229764803
Energy: 1.3301786145529062
Energy: 1.4673101110329316
Energy: 1.2751712591324553
Energy: 1.275298126250584
Energy: 1.2746860505262265
Energy: 1.2787459621894064
Energy: 1.2564724770023652
Energy: 1.45564885292386
Energy: 1.270419319733059
Energy: 1.2705109374794723
Energy: 1.2705712142745837
Energy: 1.45582386264477
Energy: 1.3118282952579396
Energy: 1.2795992258351272
Energy: 1.2703296410534703
Energy: 1.3078966409889095
Energy: 1.2664417551682825
Energy: 1.3127747011060231
Energy: 1.3119031301241144
Energy: 1.314165210962948
Energy: 1.2570815807922244
Energy: 1.2944036161092258
Energy: 1.2894341522522133
Energy: 1.3133505728481747
Energy: 1.310509640483391
Energy: 1.3323933794568505
Energy: 1.2983557856641492
Energy: 1.3102460772432512
Energy: 1.2807781611480762
Energy: 1.2668286690839072

minimum gb energy = 1.2328045508168657 eV
minimum distance =  2.22271821725251 Angstroms
sigma value = 19


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

Energy: 1.3507751638269005
Energy: 1.2395636106698753
Energy: 1.272899168709966
Energy: 1.272825681987497
Energy: 1.2729630071608375
Energy: 1.242649970087954
Energy: 1.2388895318432855
Energy: 1.225740668349155
Energy: 1.2740464408342067
Energy: 1.272583901705971
Energy: 1.287648634476101
Energy: 1.2354583642575325
Energy: 1.224949621443475
Energy: 1.2303331915422033
Energy: 1.2167111528963783
Energy: 1.2163960740964193
Energy: 1.2265470277112691
Energy: 1.226073669334538
Energy: 1.228468379485771
Energy: 1.2250991604763701
Energy: 1.2565707652084137
Energy: 1.2368378842602208
Energy: 1.2377319166286243
Energy: 1.2248939687756895
Energy: 1.2171159192429633
Energy: 1.347978339649686
Energy: 1.2437729654749574
Energy: 1.2289923683460044
Energy: 1.3099713451249313
Energy: 1.3096914721819808
Energy: 1.227981378720793
Energy: 1.2300626964468553
Energy: 1.2283549691917384
Energy: 1.2386589397455734
Energy: 1.2976669099370408
Energy: 1.229858462510066
Energy: 1.2330312934118701
Energy: 1.3824503297666422
Energy: 1.3943249458213545
Energy: 1.350778353498972
Energy: 1.3968743612508598
Energy: 1.3579983153270119
Energy: 1.232988178533945
Energy: 1.3577681693555155
Energy: 1.2282409761873474
Energy: 1.2295019573021808
Energy: 1.2282625576763242
Energy: 1.2338748069525247
Energy: 1.231442561300294
Energy: 1.281219351476567
Energy: 1.2829306748084335
Energy: 1.2238068391279633
Energy: 1.2816659844309812
Energy: 1.2796786495102097
Energy: 1.233096600950985
Energy: 1.2241241548253752
Energy: 1.2261491490660064
Energy: 1.2261351032413632
Energy: 1.283027195059895
Energy: 1.2341670184219116
Energy: 1.228479978348534
Energy: 1.2288506790779339
Energy: 1.2290844028639334
Energy: 1.2259442841441406
Energy: 1.2294007911964044
Energy: 1.228374136480567
Energy: 1.2734325839287162
Energy: 1.2284013767364277
Energy: 1.2155583077218022
Energy: 1.2232204021894744
Energy: 1.2157461435071308
Energy: 1.2740835061520515
Energy: 1.273255388104614
Energy: 1.273891620577394
Energy: 1.2175312640422888
Energy: 1.205729019263061
Energy: 1.234047544610133
Energy: 1.2737472614118528
Energy: 1.2716886756638344
Energy: 1.1922195139526242
Energy: 1.215614382195534
Energy: 1.2592623865602732
Energy: 1.2063985903195058
Energy: 1.2723654057070635
Energy: 1.2149352608933923
Energy: 1.2155025590959243
Energy: 1.223293978806044
Energy: 1.2232525919730568
Energy: 1.2233671481676962
Energy: 1.215800992338013
Energy: 1.286335570409357
Energy: 1.216432274218403
Energy: 1.2162772569660703
Energy: 1.2231059190651439
Energy: 1.2164591143148127
Energy: 1.1926161180508992
Energy: 1.2234608254727386
Energy: 1.1926126178317507
Energy: 1.216579862557422
Energy: 1.2178084064295218
Energy: 1.2068046298312705
Energy: 1.1920532967486566
Energy: 1.225041683465982
Energy: 1.225476278187977
Energy: 1.2344105560280294
Energy: 1.2361765148027215
Energy: 1.1926415660298597
Energy: 1.2259061583542756
Energy: 1.2169686396185888
Energy: 1.3438544506498602
Energy: 1.232677328825567
Energy: 1.229245548397854
Energy: 1.2996496090431267
Energy: 1.3753303744398093
Energy: 1.2253815844621287
Energy: 1.1923479445223681
Energy: 1.298032949363108
Energy: 1.228746087284183
Energy: 1.2246640567759852
Energy: 1.231138926818561
Energy: 1.2310094389405588
Energy: 1.3405823421056358
Energy: 1.4125405231558203
Energy: 1.223619947915849
Energy: 1.411681992068922
Energy: 1.232151044295852
Energy: 1.2360186760104743
Energy: 1.390303975208641
Energy: 1.2284753007175657
Energy: 1.243445312915955
Energy: 1.3459509651931771
Energy: 1.390874112889138
Energy: 1.2309237677045106
Energy: 1.231266326943468
Energy: 1.2280075174581127
Energy: 1.2266994344383575
Energy: 1.298322930051754
Energy: 1.231371260910201
Energy: 1.2309583661610102
Energy: 1.2311186386842987
Energy: 1.3470069913105203
Energy: 1.2256665730668301
Energy: 1.339884402481817
Energy: 1.2326319900759841
Energy: 1.2847820376458305
Energy: 1.2258495109551357
Energy: 1.22829975894685
Energy: 1.2286624890258095
Energy: 1.2291051605197116
Energy: 1.2321662479011743
Energy: 1.2286095223306042
Energy: 1.229015471486859
Energy: 1.2709201279979288
Energy: 1.2255456041094053
Energy: 1.2707353361350804
Energy: 1.3284239594422886
Energy: 1.2734932468304192
Energy: 1.2327453660373655
Energy: 1.3558104719391333
Energy: 1.2594369163854815
Energy: 1.226231711782634
Energy: 1.2747145408787806
Energy: 1.272325067924637
Energy: 1.2776167221746701
Energy: 1.2177006678118782
Energy: 1.25908161225222
Energy: 1.2323029548438906
Energy: 1.27295289343997
Energy: 1.2184677618167694
Energy: 1.2257708951187032
Energy: 1.2583661629872436
Energy: 1.2732850433198448
Energy: 1.2582746274715118
Energy: 1.2271838469636578

minimum gb energy = 1.1920532967486566 eV
minimum distance =  2.23736443214047 Angstroms
sigma value = 101


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

Energy: 1.221677270187787
Energy: 1.1597191055113927
Energy: 1.2060039958537345
Energy: 1.2056317117798068
Energy: 1.2059225220047507
Energy: 1.1708462361487184
Energy: 1.1712912699381415
Energy: 1.1671279217038657
Energy: 1.2028240584187875
Energy: 1.163981302869723
Energy: 1.1789085463097766
Energy: 1.1616594748818678
Energy: 1.1639757862784539
Energy: 1.1677920017131995
Energy: 1.1584887470926926
Energy: 1.1590412384596522
Energy: 1.167339801690475
Energy: 1.1677227612467262
Energy: 1.1776079027058826
Energy: 1.168411869227143
Energy: 1.176707589925283
Energy: 1.161870603153547
Energy: 1.1677827295368484
Energy: 1.1797358765898907
Energy: 1.1587899154115846
Energy: 1.1644023685515472
Energy: 1.164168130000602
Energy: 1.1632407969939356
Energy: 1.1653715003120324
Energy: 1.4029157878672256
Energy: 1.1773542430477946
Energy: 1.167689812565034
Energy: 1.163289580578286
Energy: 1.1620553686732191
Energy: 1.161564240573676
Energy: 1.1786642003554533
Energy: 1.1669249590430346
Energy: 1.2639698475990708
Energy: 1.2765584166063908
Energy: 1.3716908219399184
Energy: 1.3370178773837809
Energy: 1.2644346082774467
Energy: 1.1680525946000542
Energy: 1.2638229123937856
Energy: 1.1617760835982667
Energy: 1.163192837610936
Energy: 1.1618039849459223
Energy: 1.1677661891124007
Energy: 1.1783823072041302
Energy: 1.3245395257167782
Energy: 1.2639613516071586
Energy: 1.161797655571842
Energy: 1.2642548693160702
Energy: 1.2631707336564906
Energy: 1.1786863137124293
Energy: 1.16792562062515
Energy: 1.16222896286924
Energy: 1.1617900985971101
Energy: 1.2756168819548095
Energy: 1.1790448621440757
Energy: 1.1639053872724445
Energy: 1.162930246605857
Energy: 1.164630862848996
Energy: 1.1649937749074533
Energy: 1.1645091484946177
Energy: 1.162093513427607
Energy: 1.1655944161465024
Energy: 1.1643345712928568
Energy: 1.2437923017928179
Energy: 1.1617952080875866
Energy: 1.1676925198028127
Energy: 1.1644840719430924
Energy: 1.1776574666291022
Energy: 1.1682919440577537
Energy: 1.1645395615623297
Energy: 1.1626073770763448
Energy: 1.1676861867786947
Energy: 1.1695197618287696
Energy: 1.1636358588326765
Energy: 1.168911640409381
Energy: 1.1619405431927874
Energy: 1.175541000228751
Energy: 1.1685968565208749
Energy: 1.2436465141485555
Energy: 1.1654763182640164
Energy: 1.162338735981034
Energy: 1.2049568477240942
Energy: 1.2219514694100508
Energy: 1.2054088204431666
Energy: 1.16576213784446
Energy: 1.1654015569231118
Energy: 1.2329112846962362
Energy: 1.205774380176156
Energy: 1.2045671344248434
Energy: 1.1620867745173338
Energy: 1.2225559867435214
Energy: 1.2042159107909407
Energy: 1.1645539083362015
Energy: 1.1592304752325588
Energy: 1.1588068056474792
Energy: 1.2566900614109993
Energy: 1.2049688707690285
Energy: 1.2198783735512708
Energy: 1.1629410115432524
Energy: 1.164135719976992
Energy: 1.204821533169677
Energy: 1.1683585913011407
Energy: 1.1616564302803296
Energy: 1.1598900292078167
Energy: 1.164041383473451
Energy: 1.1680495830883761
Energy: 1.1644931157684266
Energy: 1.1682227180997213
Energy: 1.1583255499428622
Energy: 1.1963462645054368
Energy: 1.168023946125138
Energy: 1.1675026628928238
Energy: 1.1775486905905264
Energy: 1.1792098808018296
Energy: 1.176971955650679
Energy: 1.1616564111722434
Energy: 1.164304185698773
Energy: 1.1610851700741227
Energy: 1.159417432104641
Energy: 1.164300272554874
Energy: 1.164780836239269
Energy: 1.1619104238211282
Energy: 1.162705548612004
Energy: 1.1680484782436973
Energy: 1.1776195227332624
Energy: 1.1626233191072366
Energy: 1.1624002270484257
Energy: 1.1617048818083149
Energy: 1.371656058691843
Energy: 1.167787325682019
Energy: 1.1684018924974515
Energy: 1.2642418705783447
Energy: 1.3717164306017084
Energy: 1.1618080762451315
Energy: 1.1619373224553036
Energy: 1.2634855475663718
Energy: 1.1671289264392457
Energy: 1.2630918961115594
Energy: 1.16358993054795
Energy: 1.1614311959496912
Energy: 1.264653586093551
Energy: 1.263576802291882
Energy: 1.1781258654173772
Energy: 1.2638752802027338
Energy: 1.1643672132275273
Energy: 1.1615199352724954
Energy: 1.263807796378731
Energy: 1.167538592522665
Energy: 1.16896093934978
Energy: 1.1676378716958855
Energy: 1.264284284470729
Energy: 1.1622951444041636
Energy: 1.161835949962185
Energy: 1.1619470227638569
Energy: 1.165432210691381
Energy: 1.2367095160140984
Energy: 1.1621193346573004
Energy: 1.16155722163857
Energy: 1.1645440413080423
Energy: 1.16195993630732
Energy: 1.1643270169542677
Energy: 1.1624396442292073
Energy: 1.1626072849845062
Energy: 1.1627193659389048
Energy: 1.1643675271245555
Energy: 1.1782706984688363
Energy: 1.1781848283235867
Energy: 1.1676354319792737
Energy: 1.1640072603447078
Energy: 1.1623632857105741
Energy: 1.1671777242103258
Energy: 1.242148570794782
Energy: 1.1640765109455293
Energy: 1.325428607540965
Energy: 1.1684368815042092
Energy: 1.2203978862443416
Energy: 1.161442725625562
Energy: 1.163761410381507
Energy: 1.166529317734934
Energy: 1.1627481502021162
Energy: 1.2054339936289105
Energy: 1.2041760850862229
Energy: 1.2573666584031282
Energy: 1.165298528941027
Energy: 1.1651965020601214
Energy: 1.161985781647947
Energy: 1.205558159117582
Energy: 1.1574575611532967
Energy: 1.1643292913495291
Energy: 1.1643741236603693
Energy: 1.204771721459713
Energy: 1.2565813730707034
Energy: 1.2353938319215785

minimum gb energy = 1.1574575611532967 eV
minimum distance =  2.24012036404432 Angstroms
sigma value = 33


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

Energy: 0.015049950826479946
Energy: 0.015894133999299828
Energy: 0.08910223887942982
Energy: 0.08895750445474394
Energy: 0.09035491605517808
Energy: 0.015565978858231185
Energy: 0.015660010246757245
Energy: 0.10539360855584436
Energy: 0.10520902810573592
Energy: 0.10531282534636592
Energy: 0.10459441417596484
Energy: 0.10503423706437685
Energy: 0.9095877771661656
Energy: 0.09175748828815079
Energy: 0.015722613961789273
Energy: 0.016949000007480775
Energy: 0.08969686207777923
Energy: 0.08895312481890795
Energy: 0.10472331620514719
Energy: 0.10539360855584436
Energy: 0.10520902810573592
Energy: 0.10531282534636592
Energy: 0.10459441417596484
Energy: 0.10503423706437685

minimum gb energy = 0.015049950826479946 eV
minimum distance =  2.44300187252098 Angstroms
sigma value = 1