Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.452464193105698
cohesive_energy=4.501689179231084
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 2.47646694817583e-12 eV

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

Energy: 0.019114008141356886
Energy: 0.8997558394034805
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.8997558394031367
Energy: 1.4486688433948316
Energy: 0.8997558394034805
Energy: 1.4486688433948316
Energy: 0.8997558394034805
Energy: 1.4486688433948316
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.8997558394031367
Energy: 1.4486688433948316
Energy: 0.8997558394034805
Energy: 1.4486688433948316
Energy: 0.8997558394031367
Energy: 1.4486688433945258
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.019114008141356886
Energy: 0.8997558394031367
Energy: 0.8997558394031367
Energy: 1.4486688433948316
Energy: 0.8997558394031367
Energy: 1.4486688433948316
Energy: 0.8997558394031367
Energy: 1.4486688433948316

minimum gb energy = 0.019114008141356886 eV
minimum distance =  2.2050892747087 Angstroms
sigma value = 1


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

Energy: 1.0832573195825566
Energy: 1.066553933792643
Energy: 1.083257319583384
Energy: 1.066553933792643
Energy: 1.083257319583384
Energy: 1.066553933792643
Energy: 1.1530771151842563
Energy: 1.0500103034091086
Energy: 1.1530771151850838
Energy: 1.0500103034091086
Energy: 1.1530771151842563
Energy: 1.0500103034091086
Energy: 1.0140010685523229
Energy: 1.0858591985748494
Energy: 1.0140010685523229
Energy: 1.0858591985748494
Energy: 1.014001068551495
Energy: 1.0858591985748494
Energy: 1.2169764536631384
Energy: 1.0007996878099454
Energy: 1.2169764536614833
Energy: 1.0007996878099454
Energy: 1.2169764536623107
Energy: 1.0007996878099454
Energy: 1.0494642184664411
Energy: 1.1055197619711714
Energy: 1.0494642184664411
Energy: 1.1055197619711714
Energy: 1.0494642184656136
Energy: 1.1055197619711714
Energy: 1.0740098744551687
Energy: 0.9840796267074939
Energy: 1.0740098744559963
Energy: 0.9840796267066662
Energy: 1.074009874454341
Energy: 0.9840796267074939
Energy: 1.0265408683254162
Energy: 1.0601766555332435
Energy: 1.0265408683262438
Energy: 1.0601766555332435
Energy: 1.0265408683262438
Energy: 1.0601766555332435
Energy: 1.0275455330949124
Energy: 1.133749486781986
Energy: 1.0275455330949124
Energy: 1.133749486781986
Energy: 1.02754553309574
Energy: 1.133749486781986
Energy: 1.0941938866646173
Energy: 1.0558267626205304
Energy: 1.0941938866637897
Energy: 1.0558267626205304
Energy: 1.094193886665445
Energy: 1.0558267626205304
Energy: 1.0101655272423522
Energy: 1.110615859305116
Energy: 1.0101655272406969
Energy: 1.110615859305116
Energy: 1.0101655272415244
Energy: 1.110615859305116
Energy: 1.0579841050646392
Energy: 0.9823917111285023
Energy: 1.0579841050638117
Energy: 0.9823917111285023
Energy: 1.0579841050638117
Energy: 0.9823917111285023
Energy: 1.0110262267699677
Energy: 1.0490759457428982
Energy: 1.0110262267699677
Energy: 1.0490759457412429
Energy: 1.01102622676914
Energy: 1.0490759457412429
Energy: 1.176572493982139
Energy: 1.024482102727901
Energy: 1.1765724939829667
Energy: 1.024482102727901
Energy: 1.1765724939829667
Energy: 1.024482102727901
Energy: 0.9966746264303679
Energy: 1.0383451299228703
Energy: 0.9966746264311954
Energy: 1.0383451299228703
Energy: 0.9966746264311954
Energy: 1.0383451299228703
Energy: 1.196439006510883
Energy: 1.0130351981330101
Energy: 1.1964390065100554
Energy: 1.0130351981346652
Energy: 1.196439006510883
Energy: 1.0130351981338377
Energy: 1.17649558762448
Energy: 1.100622004772278
Energy: 1.1764955876236525
Energy: 1.1006220047714503
Energy: 1.176495587622825
Energy: 1.100622004772278
Energy: 1.037488908793884
Energy: 1.0463706877881853
Energy: 1.0374889087947115
Energy: 1.0463706877873578
Energy: 1.0374889087947115
Energy: 1.0463706877873578
Energy: 1.0314316634600806
Energy: 1.0363340328075887
Energy: 1.0314316634592529
Energy: 1.036334032809244
Energy: 1.0314316634609082
Energy: 1.036334032809244
Energy: 1.0300977933742366
Energy: 1.0035114171304245
Energy: 1.0300977933750644
Energy: 1.0035114171304245
Energy: 1.0300977933750644
Energy: 1.003511417133735
Energy: 1.1214033686133782
Energy: 0.9838677086113389
Energy: 1.1214033686125506
Energy: 0.9838677086113389
Energy: 1.1214033686133782
Energy: 0.9838677086105113
Energy: 1.0355309426433021
Energy: 1.1436032765660147
Energy: 1.0355309426449573
Energy: 1.1436032765651871
Energy: 1.0355309426441297
Energy: 1.1436032765635318
Energy: 1.0995562467574194
Energy: 1.0511811730471379
Energy: 1.0995562467557642
Energy: 1.0511811730463103
Energy: 1.0995562467574194
Energy: 1.0511811730471379
Energy: 1.0474724849744839
Energy: 1.1451924701960794
Energy: 1.047472484973656
Energy: 1.1451924701960794
Energy: 1.0474724849744839
Energy: 1.1451924701969072

minimum gb energy = 0.9823917111285023 eV
minimum distance =  2.22061319079453 Angstroms
sigma value = 33


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

Energy: 1.0753558450869183
Energy: 1.082764056514383
Energy: 0.9918100358588805
Energy: 1.082764056514854
Energy: 1.0753558450869183
Energy: 1.0827640565176784
Energy: 1.1570034098375572
Energy: 0.996128269796549
Energy: 1.1570034098446185
Energy: 0.996128269796078
Energy: 1.1570034098446185
Energy: 0.9961282697941951
Energy: 1.0022790557963845
Energy: 0.9806703812747205
Energy: 1.0022790557968553
Energy: 0.980670381275662
Energy: 1.0022790557940309
Energy: 0.9806703812742498
Energy: 1.0944940205874436
Energy: 1.0341141530462856
Energy: 1.094494020577558
Energy: 1.034114153045344
Energy: 1.0944940205813238
Energy: 1.0341141530462856
Energy: 1.0301099485053076
Energy: 1.067049435599
Energy: 1.0301099485114276
Energy: 1.0670494356060614
Energy: 1.0301099485100151
Energy: 1.0670494356041782
Energy: 1.0058092882265874
Energy: 1.0022996765571215
Energy: 1.0058092882279996
Energy: 1.0023249665057978
Energy: 1.0058092882228211
Energy: 1.0022996765651244
Energy: 1.0821160992835936
Energy: 1.0376226970660551
Energy: 1.082116099292538
Energy: 0.9944720058059123
Energy: 1.082116099294892
Energy: 1.0376226970651135
Energy: 0.9830771049331302
Energy: 1.083273521176707
Energy: 0.9830771049270102
Energy: 1.0832735211743534
Energy: 0.9830771049227733
Energy: 1.083273521171529
Energy: 0.9913374979524644
Energy: 1.0062401595475763
Energy: 0.9913374979623075
Energy: 1.006240159544281
Energy: 0.9913374979538768
Energy: 1.0062401595518131
Energy: 1.0527759702052257
Energy: 1.159573835144626
Energy: 1.0527704559651696
Energy: 1.159573835143214
Energy: 1.0527759701967523
Energy: 1.1595738351314449
Energy: 1.1656711987913309
Energy: 1.0616124973774317
Energy: 1.16567119879086
Energy: 1.0616124973727241
Energy: 1.1656711987960384
Energy: 1.0616124973731949
Energy: 1.0020448569747673
Energy: 1.0944179772384137
Energy: 1.00204419975678
Energy: 1.0944179772393552
Energy: 1.0020448569724134
Energy: 1.0944179772440625
Energy: 1.0011874573528896
Energy: 1.0186031361168413
Energy: 1.001187457355714
Energy: 1.0186031361126042
Energy: 1.0011874573486528
Energy: 1.0186031361163703
Energy: 1.0016192838930318
Energy: 1.0952218442542307
Energy: 1.0016192838845586
Energy: 1.095221844257526
Energy: 1.001619283887383
Energy: 1.0952218442542307
Energy: 1.0628142807465826
Energy: 0.9967197630462292
Energy: 1.0628142807428165
Energy: 0.9967197630514075
Energy: 1.0628142807385796
Energy: 0.9967197630495244
Energy: 1.0028338629226434
Energy: 0.9800199542280466
Energy: 1.0028338629094622
Energy: 0.9800199542275757
Energy: 1.002833862911816
Energy: 0.9800199542271051
Energy: 1.087973218556593
Energy: 1.0314492032423854
Energy: 1.0879732185570639
Energy: 1.0314492032428562
Energy: 1.0879732185537685
Energy: 1.0314492032437979
Energy: 1.0282759858182287
Energy: 1.002219656185144
Energy: 1.0282759858168165
Energy: 1.0022886470922192
Energy: 1.0282759858201118
Energy: 1.0022196561870271
Energy: 1.0121324901320707
Energy: 1.024057669158773
Energy: 1.0121324901325415
Energy: 1.012080365343644
Energy: 1.0121324901301878
Energy: 1.0240576691578318
Energy: 1.0810714637870837
Energy: 0.994882699689407
Energy: 1.0810714637899081
Energy: 1.0371893859895138
Energy: 1.0810714637880252
Energy: 0.9948826996941145
Energy: 0.9896983042198497
Energy: 1.0786238316273131
Energy: 0.9896983042174958
Energy: 1.0786238316320207
Energy: 0.9896983042203205
Energy: 1.078623831635316
Energy: 0.9805454333510947
Energy: 1.0051663387498455
Energy: 0.9805454333539193
Energy: 1.005166338751258
Energy: 0.9805454333572147
Energy: 1.0051663387498455
Energy: 1.0572569121695365
Energy: 1.159005695311703
Energy: 1.0572667363858899
Energy: 1.1590056953112322
Energy: 1.0572569121733026
Energy: 1.1590056953093493
Energy: 1.1537480266928604
Energy: 1.030605999534881
Energy: 1.1537480266947433
Energy: 1.0306059995344103
Energy: 1.1537480266999218
Energy: 1.0306059995315855
Energy: 1.0022993186381464
Energy: 1.0111678070457033
Energy: 1.0020498141830498
Energy: 1.0111678070489987
Energy: 1.0022993186395583
Energy: 1.0111678070457033
Energy: 1.0799067853551814
Energy: 1.0775881809897534
Energy: 0.9969119179921747
Energy: 1.07758818098787
Energy: 1.0799067853594182
Energy: 1.0775881809836332
Energy: 1.08914411680519
Energy: 1.0454522678769116
Energy: 0.9960431529450787
Energy: 1.0454522678773823
Energy: 1.089144116807544
Energy: 1.045452267883502
Energy: 1.001852794324349
Energy: 0.9999607317220411
Energy: 1.0018527943201123
Energy: 0.9999607317258072
Energy: 1.0018527943238784
Energy: 0.9999607317286316
Energy: 1.1522166235828626
Energy: 0.9822800727764509
Energy: 1.1522166235847453
Energy: 0.9822800727835124
Energy: 1.1522166235842748
Energy: 0.982280072780217
Energy: 1.0575753979648979
Energy: 1.1641281682289406
Energy: 1.0575753979620734
Energy: 1.1641281682237623
Energy: 1.0575753979714886
Energy: 1.1641281682232918
Energy: 1.029189247370414
Energy: 1.005775444201123
Energy: 1.0291892473774755
Energy: 1.0057887337953852
Energy: 1.0291892473779463
Energy: 1.00577544419924
Energy: 1.017010983012512
Energy: 1.0370827595007406
Energy: 1.0170109830110996
Energy: 0.9936565598862424
Energy: 1.0170109830134535
Energy: 1.0370827594917962
Energy: 1.086518797565011
Energy: 1.0371078825210251
Energy: 1.086518797573014
Energy: 0.9950710225481149
Energy: 1.0865187975720723
Energy: 1.037107882523379
Energy: 0.9997867348183158
Energy: 1.058821527349944
Energy: 0.9997867348234942
Energy: 1.0588215273461778
Energy: 0.9997867348192574
Energy: 1.0588215273485317
Energy: 0.9822929729308049
Energy: 1.0024636603836339
Energy: 0.9822929729298634
Energy: 1.0024636603751602
Energy: 0.9822929729218604
Energy: 1.0024636603826924
Energy: 1.0314176102269506
Energy: 1.0912777758174792
Energy: 1.0314176102264798
Energy: 1.0912777758151253
Energy: 1.0314176102269506
Energy: 1.0912777758188914
Energy: 1.0006094233615423
Energy: 1.0276782009451406
Energy: 1.0006146764483288
Energy: 1.0276782009484358
Energy: 1.000609423370016
Energy: 1.027678200947965
Energy: 1.02408133907556
Energy: 1.0055833947252584
Energy: 1.0240813390760308
Energy: 1.0055833947285537
Energy: 1.0240813390765016
Energy: 1.005583394730437
Energy: 1.0015395171929438
Energy: 1.0793833580376084
Energy: 1.001539517192473
Energy: 1.07938335803855
Energy: 1.0015395171929438
Energy: 1.079383358036667
Energy: 1.0752808274637267
Energy: 0.9903447768422569
Energy: 1.075280827463256
Energy: 0.9903447768422569
Energy: 1.075280827465139
Energy: 0.9903447768304878
Energy: 1.0020773609502223
Energy: 1.0342941625712356
Energy: 1.0020773609530467
Energy: 1.034294162560879
Energy: 1.0020773609516342
Energy: 1.0342941625669986

minimum gb energy = 0.9800199542271051 eV
minimum distance =  2.29338991022428 Angstroms
sigma value = 51


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

Energy: 1.0290231652941806
Energy: 1.0334045958337919
Energy: 1.0290231652941806
Energy: 1.0334045958348825
Energy: 1.0290231652941806
Energy: 1.0334045958337919
Energy: 1.1089584388544387
Energy: 1.0374435478304636
Energy: 1.108958438853348
Energy: 1.0374435478304636
Energy: 1.1089584388544387
Energy: 1.0374435478304636
Energy: 0.9780872726378445
Energy: 1.1771831836552624
Energy: 0.9780872726389352
Energy: 1.1771831836552624
Energy: 0.9780872726378445
Energy: 1.1771831836552624
Energy: 1.0125875147014889
Energy: 0.9595598938041585
Energy: 1.0125875147025793
Energy: 0.9595598938041585
Energy: 1.0125875147025793
Energy: 0.9595598938041585
Energy: 1.0634568270138005
Energy: 0.9795374680298016
Energy: 1.0634568270138005
Energy: 0.9795374680298016
Energy: 1.0634568270138005
Energy: 0.9795374680298016
Energy: 1.104752416670029
Energy: 0.9786525410208838
Energy: 1.104752416670029
Energy: 0.9786525410208838
Energy: 1.104752416670029
Energy: 0.9786525410208838
Energy: 1.056201880269656
Energy: 0.9778396379562814
Energy: 1.056201880269656
Energy: 0.9778396379562814
Energy: 1.056201880269656
Energy: 0.9778396379562814
Energy: 0.9891235407539752
Energy: 0.980969959985369
Energy: 0.9891235407528844
Energy: 0.980969959985369
Energy: 0.9891235407528844
Energy: 0.980969959985369
Energy: 1.1977721005434667
Energy: 0.9594093129875046
Energy: 1.1977721005434667
Energy: 0.9594093129875046
Energy: 1.1977721005434667
Energy: 0.9594093129875046
Energy: 0.9548219264179222
Energy: 1.2467335463678237
Energy: 0.9548219264179222
Energy: 1.2467335463678237
Energy: 0.9548219264179222
Energy: 1.2467335463678237
Energy: 1.1476290097480035
Energy: 1.0054860917688975
Energy: 1.1476290097469128
Energy: 1.0054860917688975
Energy: 1.1476290097469128
Energy: 1.0054860917678068
Energy: 1.0287547118541696
Energy: 1.036375873667409
Energy: 1.0287547118541696
Energy: 1.036375873667409
Energy: 1.0287547118541696
Energy: 1.036375873667409
Energy: 1.114986669093336
Energy: 1.029701768684218
Energy: 1.114986669093336
Energy: 1.029701768684218
Energy: 1.114986669093336
Energy: 1.029701768684218
Energy: 0.9776241053198583
Energy: 0.9897628951223133
Energy: 0.9776241053198583
Energy: 0.9897628951234042
Energy: 0.9776241053198583
Energy: 0.9897628951234042
Energy: 1.0278420161465898
Energy: 1.008326396502058
Energy: 1.0278420161476807
Energy: 1.008326396502058
Energy: 1.0278420161476807
Energy: 1.008326396502058
Energy: 1.070721520841996
Energy: 0.9791143404560836
Energy: 1.070721520841996
Energy: 0.9791143404560836
Energy: 1.070721520841996
Energy: 0.9791143404560836
Energy: 1.1025716462461899
Energy: 1.0751517217785962
Energy: 1.1025716462461899
Energy: 1.0751517217796869
Energy: 1.1025716462472805
Energy: 1.0751517217796869
Energy: 1.0497897107748548
Energy: 0.979184584788554
Energy: 1.0497897107748548
Energy: 0.979184584788554
Energy: 1.0497897107770362
Energy: 0.979184584788554

minimum gb energy = 0.9548219264179222 eV
minimum distance =  2.20889168630851 Angstroms
sigma value = 19


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

Energy: 0.8333529608906793
Energy: 0.91437590709867
Energy: 0.8333529608900324
Energy: 0.9143759070993168
Energy: 0.8333529608900324
Energy: 0.91437590709867
Energy: 0.9680356392356351
Energy: 1.0020728132026362
Energy: 0.9680356392369291
Energy: 1.0020728132026362
Energy: 0.9680356392349881
Energy: 1.0020728132026362
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221899739
Energy: 1.002262459618188
Energy: 0.905857826044627
Energy: 0.8462500976317371
Energy: 0.90585782604398
Energy: 0.8462500976317371
Energy: 0.90585782604398
Energy: 0.8462500976323841
Energy: 0.8068284378875069
Energy: 0.8301975063457014
Energy: 0.806828437886213
Energy: 0.8301975063457014
Energy: 0.806828437888154
Energy: 0.8301975063463485
Energy: 0.8069053934603988
Energy: 0.8293738731624724
Energy: 0.8069053934629868
Energy: 0.8293738731624724
Energy: 0.8069053934616928
Energy: 0.8293738731624724
Energy: 0.9059361067172834
Energy: 0.8462347074588902
Energy: 0.9059361067179305
Energy: 0.8462347074588902
Energy: 0.9059361067172834
Energy: 0.846234707459537
Energy: 0.8460081308512165
Energy: 1.002287665918251
Energy: 0.8460081308512165
Energy: 1.002287665918251
Energy: 0.8460081308505696
Energy: 1.002287665918251
Energy: 0.9680195086031853
Energy: 1.0022094309920744
Energy: 0.9680195086031853
Energy: 1.0022094309933685
Energy: 0.9680195086025383
Energy: 1.0022094309933685
Energy: 0.8333529608900324
Energy: 0.91437590709867
Energy: 0.8333529608900324
Energy: 0.91437590709867
Energy: 0.8333529608900324
Energy: 0.91437590709867
Energy: 0.9680356392343411
Energy: 1.0020728132026362
Energy: 0.9680356392349881
Energy: 1.0020728132026362
Energy: 0.9680356392349881
Energy: 1.0020728132026362
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221912679
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.905857826044627
Energy: 0.8462500976310902
Energy: 0.905857826044627
Energy: 0.8462500976310902
Energy: 0.90585782604398
Energy: 0.8462500976310902
Energy: 0.806828437888154
Energy: 0.8301975063457014
Energy: 0.8068284378875069
Energy: 0.8301975063457014
Energy: 0.8068284378875069
Energy: 0.8301975063463485
Energy: 0.8069053934616928
Energy: 0.8293738731618254
Energy: 0.8069053934610458
Energy: 0.8293738731618254
Energy: 0.8069053934623398
Energy: 0.8293738731618254
Energy: 0.9059361067179305
Energy: 0.8462347074582431
Energy: 0.9059361067172834
Energy: 0.846234707459537
Energy: 0.9059361067179305
Energy: 0.846234707459537
Energy: 0.8460081308512165
Energy: 1.002287665918251
Energy: 0.8460081308512165
Energy: 1.002287665918251
Energy: 0.8460081308505696
Energy: 1.002287665918251
Energy: 0.9680195086018912
Energy: 1.0022094309920744
Energy: 0.9680195086031853
Energy: 1.0022094309927214
Energy: 0.9680195086025383
Energy: 1.0022094309920744
Energy: 0.8333529608906793
Energy: 0.9143759070993168
Energy: 0.8333529608906793
Energy: 0.9143759070993168
Energy: 0.8333529608900324
Energy: 0.91437590709867
Energy: 0.9680356392362821
Energy: 1.0020728132026362
Energy: 0.9680356392349881
Energy: 1.0020728132019892
Energy: 0.9680356392349881
Energy: 1.0020728132026362
Energy: 0.8459875221912679
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.905857826044627
Energy: 0.8462500976317371
Energy: 0.905857826045274
Energy: 0.8462500976317371
Energy: 0.90585782604398
Energy: 0.8462500976317371
Energy: 0.8068284378875069
Energy: 0.8301975063457014
Energy: 0.80682843788686
Energy: 0.8301975063457014
Energy: 0.80682843788686
Energy: 0.8301975063463485
Energy: 0.8069053934623398
Energy: 0.8293738731618254
Energy: 0.8069053934623398
Energy: 0.8293738731618254
Energy: 0.8069053934623398
Energy: 0.8293738731618254
Energy: 0.9059361067179305
Energy: 0.8462347074588902
Energy: 0.9059361067179305
Energy: 0.8462347074588902
Energy: 0.9059361067179305
Energy: 0.846234707459537
Energy: 0.8460081308505696
Energy: 1.002287665918251
Energy: 0.8460081308505696
Energy: 1.002287665918251
Energy: 0.8460081308505696
Energy: 1.0022876659176039
Energy: 0.9680195086018912
Energy: 1.0022094309946625
Energy: 0.9680195086038322
Energy: 1.0022094309933685
Energy: 0.9680195086038322
Energy: 1.0022094309940155
Energy: 0.8333529608906793
Energy: 0.91437590709867
Energy: 0.8333529608906793
Energy: 0.9143759070993168
Energy: 0.8333529608913264
Energy: 0.91437590709867
Energy: 0.9680356392349881
Energy: 1.0020728132026362
Energy: 0.9680356392343411
Energy: 1.0020728132026362
Energy: 0.9680356392343411
Energy: 1.0020728132026362
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188
Energy: 0.8459875221906209
Energy: 1.002262459618188

minimum gb energy = 0.806828437886213 eV
minimum distance =  2.23931182397275 Angstroms
sigma value = 27


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

Energy: 0.9446769758016179
Energy: 0.9024003156762994
Energy: 0.9446769758032028
Energy: 0.9024003156762994
Energy: 0.9446769758016179
Energy: 0.9024003156762994
Energy: 1.110718241232018
Energy: 0.9176324108577438
Energy: 1.110718241232018
Energy: 0.9176324108577438
Energy: 1.110718241232018
Energy: 0.9176324108577438
Energy: 0.9691546486855012
Energy: 1.096987336924869
Energy: 0.9239038044482759
Energy: 1.096987336924869
Energy: 0.9239038044482759
Energy: 1.0969873369201142
Energy: 0.988555712846071
Energy: 0.8774915032103484
Energy: 0.988555712846071
Energy: 0.8774915032103484
Energy: 0.988555712846071
Energy: 0.8774915032103484
Energy: 0.99581227555503
Energy: 0.8763520611447178
Energy: 0.9958122755534452
Energy: 0.8763520611447178
Energy: 0.9958122755534452
Energy: 0.8763520611447178
Energy: 1.0194644527561287
Energy: 1.0817987264990487
Energy: 1.019464452754544
Energy: 1.0817987265006337
Energy: 1.0194644527561287
Energy: 1.0817987265006337
Energy: 0.991136636382293
Energy: 0.9189967110019008
Energy: 0.991136636382293
Energy: 0.9189967110019008
Energy: 0.991136636382293
Energy: 0.9189967110019008
Energy: 0.9448742652600391
Energy: 0.9063987780459819
Energy: 0.9448742652600391
Energy: 0.9063987780459819
Energy: 0.9448742652616239
Energy: 0.9063987780459819
Energy: 1.1156219026787961
Energy: 0.9243002751325695
Energy: 1.1156219026787961
Energy: 0.9243002751230608
Energy: 1.115621902680381
Energy: 0.9243002751293999
Energy: 0.9968846022884782
Energy: 1.0338808240001358
Energy: 0.9968846022884782
Energy: 1.0338808240001358
Energy: 0.9968846022884782
Energy: 1.0338808239985509
Energy: 1.0169930158352232
Energy: 0.886396121122314
Energy: 1.0169930158352232
Energy: 0.886396121122314
Energy: 1.0169930158352232
Energy: 0.886396121122314
Energy: 1.095880622096879
Energy: 0.9879052491992024
Energy: 1.0958806221000488
Energy: 0.9879052492007871
Energy: 1.0958806220937094
Energy: 0.9879052491992024

minimum gb energy = 0.8763520611447178 eV
minimum distance =  2.19263741427057 Angstroms
sigma value = 9


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

Energy: 0.9806832936018272
Energy: 0.9411609900241102
Energy: 0.980683293600046
Energy: 0.9411609900241102
Energy: 0.9806832936009365
Energy: 0.9411609900245554
Energy: 1.13810090877572
Energy: 0.9916874237645198
Energy: 1.1381009087779463
Energy: 0.9437011873062429
Energy: 1.13810090877572
Energy: 0.9437011873062429
Energy: 0.8805368724472781
Energy: 1.243160934664303
Energy: 0.8805368724481687
Energy: 1.2431609346634125
Energy: 0.8805368724490593
Energy: 1.2431609346638577
Energy: 0.891492349871932
Energy: 0.8955240703152858
Energy: 0.8914923498714867
Energy: 0.8955240703148406
Energy: 0.8914923498710416
Energy: 0.89552407031395
Energy: 0.9570341519543821
Energy: 0.9136461227897803
Energy: 0.9570341519543821
Energy: 0.9136461227888897
Energy: 0.9570341519539367
Energy: 0.9136461227897803
Energy: 0.958561873469629
Energy: 0.9784140507696285
Energy: 0.9585618734678477
Energy: 0.9784140507700736
Energy: 0.9585618734669573
Energy: 0.9784140507700736
Energy: 0.9113984485228956
Energy: 0.9592112539874745
Energy: 0.9113984485202238
Energy: 0.959211253986584
Energy: 0.9113984485237863
Energy: 0.9592112539870291
Energy: 0.8737762561921194
Energy: 0.9573881436841564
Energy: 0.8737762561921194
Energy: 0.9573881436846017
Energy: 0.8737762561934554
Energy: 0.9573881436854923
Energy: 1.1707066394027656
Energy: 0.9166491715715013
Energy: 1.170706639410336
Energy: 0.9166491715710559
Energy: 1.1707066394009846
Energy: 0.9166491715715013
Energy: 0.9675875495444332
Energy: 1.1245135433683195
Energy: 0.9675875495457691
Energy: 1.1245135433692104
Energy: 0.9675875495448785
Energy: 1.1245135433758897
Energy: 0.8919760516625631
Energy: 0.8971490416136544
Energy: 0.8919760516603364
Energy: 0.8971490416140997
Energy: 0.8919760516643441
Energy: 0.8971490416136544
Energy: 0.9260441977737662
Energy: 0.9604488678524449
Energy: 0.9260441977746567
Energy: 0.9604488678524449
Energy: 0.9260441977724304
Energy: 0.9604488678422031
Energy: 0.9512222326999458
Energy: 0.9663216718356111
Energy: 0.9512222327017269
Energy: 0.9663216718356111
Energy: 0.9512222327008363
Energy: 0.9663216718356111
Energy: 0.9826799358205107
Energy: 0.9434910101416936
Energy: 0.9826799358187297
Energy: 0.9434910101403579
Energy: 0.9826799358165031
Energy: 0.9434910101408029
Energy: 0.8693462266038211
Energy: 0.9407100986718994
Energy: 0.8693462266078288
Energy: 0.940710098671454
Energy: 0.8693462266051571
Energy: 0.9407100986718994
Energy: 1.1340261852370015
Energy: 0.9628485357015097
Energy: 1.134026185236111
Energy: 0.962848535701955
Energy: 1.1340261852365563
Energy: 0.962848535701955
Energy: 1.0897485751806648
Energy: 1.034481454668936
Energy: 1.0897485751802194
Energy: 1.034481454668936
Energy: 1.0897485751824458
Energy: 1.0344814546693817
Energy: 0.8868574009114084
Energy: 0.9130063888714571
Energy: 0.886857400912299
Energy: 0.9130063888710119
Energy: 0.8868574009114084
Energy: 0.9130063888727931
Energy: 0.848298438419826
Energy: 1.0347826135301124
Energy: 0.8482984384233883
Energy: 1.0347826135292217
Energy: 0.8482984384216071
Energy: 1.0347826135296672
Energy: 1.061452414473866
Energy: 1.0576953145962034
Energy: 1.0614524144734208
Energy: 1.022720020983728
Energy: 1.0614524144743114
Energy: 1.022720020983728
Energy: 0.8482402311560309
Energy: 1.03474900248571
Energy: 0.8482402311582573
Energy: 1.0347490024866006
Energy: 0.8482402311587027
Energy: 1.0347490024866006
Energy: 0.8869637997758316
Energy: 0.9132721548230499
Energy: 0.8869637997767222
Energy: 0.9132721548230499
Energy: 0.8869637997731599
Energy: 0.9132721548230499
Energy: 1.0897934770010187
Energy: 1.0344031437353192
Energy: 1.0897934770014641
Energy: 1.0344031437371004
Energy: 1.0897934769987923
Energy: 1.0344031437384362
Energy: 0.9142678175775389
Energy: 0.9629961558496734
Energy: 0.9142678175837731
Energy: 0.9629961558496734
Energy: 0.914267817581992
Energy: 0.9629961558496734
Energy: 0.8690733738523737
Energy: 0.940734033051677
Energy: 0.8690733738537098
Energy: 0.9407340330521221
Energy: 0.8690733738523737
Energy: 0.9407340330521221
Energy: 0.9825593887568072
Energy: 0.9426540002360999
Energy: 0.9825593887568072
Energy: 0.9426540002405529
Energy: 0.9825593887576978
Energy: 0.9426540002325374
Energy: 0.9504524355142185
Energy: 0.966291613379547
Energy: 0.950452435513328
Energy: 0.966291613379102
Energy: 0.9504524355159997
Energy: 0.966291613379102
Energy: 0.9262942105952483
Energy: 0.8994002167268674
Energy: 0.9262942105974747
Energy: 0.899400215918575
Energy: 0.9262942105974747
Energy: 0.8994002161740937
Energy: 0.8922817031494151
Energy: 0.8972587318263991
Energy: 0.8922817031476339
Energy: 0.8972587318259541
Energy: 0.8922817031494151
Energy: 0.8972587318268447
Energy: 0.9673625067934014
Energy: 1.0734465160914184
Energy: 0.967362506795628
Energy: 1.0734465160900821
Energy: 0.9673625067925109
Energy: 1.0734465160905275
Energy: 1.170950333161247
Energy: 0.916515320345796
Energy: 1.170950333155944
Energy: 0.9165153203462411
Energy: 1.1709503331634734
Energy: 0.9165153203462411
Energy: 0.8737710857843158
Energy: 0.957467775426588
Energy: 0.8737710857847613
Energy: 0.9574677754270331
Energy: 0.8737710857874329
Energy: 0.957467775426588
Energy: 0.9114580448352305
Energy: 0.9591863296054028
Energy: 0.9114580448334492
Energy: 0.9591863296049574
Energy: 0.9114580448356756
Energy: 0.9591863296058479
Energy: 0.9587328872344291
Energy: 1.0048072861241872
Energy: 0.9587328872353196
Energy: 1.0332065070245144
Energy: 0.9587328872339838
Energy: 1.0711073091683874
Energy: 0.9569541571340501
Energy: 0.9173566850289383
Energy: 0.956954157133605
Energy: 0.9173566850289383
Energy: 0.9569541571358313
Energy: 0.9173566850289383
Energy: 0.8914097857842199
Energy: 0.8951403818053144
Energy: 0.8914097857851105
Energy: 0.895140381804869
Energy: 0.8914097857806575
Energy: 0.8951403818044237
Energy: 0.8805103612823973
Energy: 1.2432348661797787
Energy: 0.8805103612819521
Energy: 1.2432348661802242
Energy: 0.8805103612815068
Energy: 1.2432348661802242
Energy: 1.1381285930467755
Energy: 1.0332554011240087
Energy: 1.1381285930485567
Energy: 0.972961846277371
Energy: 1.138128593047221
Energy: 0.9729618462769257
Energy: 0.9806832935951476
Energy: 0.9411609900245554
Energy: 0.9806832935933665
Energy: 0.9411609900245554
Energy: 0.9806832935964837
Energy: 0.9411609900241102
Energy: 1.1381009087783918
Energy: 0.991687423758731
Energy: 1.1381009087806182
Energy: 0.9437011873147035
Energy: 1.1381009087815088
Energy: 0.9437011873147035
Energy: 0.8805368724477235
Energy: 1.2431609346634125
Energy: 0.8805368724499498
Energy: 1.2431609346625219
Energy: 0.8805368724499498
Energy: 1.2431609346620767
Energy: 0.8914923498723775
Energy: 0.8955240703245966
Energy: 0.8914923498737133
Energy: 0.8955240703250418
Energy: 0.8914923498737133
Energy: 0.8955240703245966
Energy: 0.9570341519485931
Energy: 0.9136461227964598
Energy: 0.9570341519485931
Energy: 0.9136461227960144
Energy: 0.9570341519494837
Energy: 0.9136461227964598

minimum gb energy = 0.8482402311560309 eV
minimum distance =  2.2516750569171 Angstroms
sigma value = 57


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

Energy: 0.5114196172728496
Energy: 0.5298634357272619
Energy: 0.5114196172738632
Energy: 0.5298634357303028
Energy: 0.5114196172738632
Energy: 0.5298634357262482
Energy: 0.7401751940873939
Energy: 0.5303229660817276
Energy: 0.7401751987045849
Energy: 0.5303283457891051
Energy: 0.7401752077210777
Energy: 0.5303544053218808
Energy: 0.5926907135308666
Energy: 0.6767759506844986
Energy: 0.5926907135339075
Energy: 0.6767883803193953
Energy: 0.59269071352073
Energy: 0.6767901796773161
Energy: 0.5298910520753133
Energy: 0.5116488882120319
Energy: 0.5298910520753133
Energy: 0.5116488882140593
Energy: 0.5298910520753133
Energy: 0.5116488882160867
Energy: 0.7439723460817871
Energy: 0.7281635232570359
Energy: 0.743972346087869
Energy: 0.7281635232529813
Energy: 0.7439723460868554
Energy: 0.728163523253995
Energy: 0.5120388732902929
Energy: 0.5920967745788848
Energy: 0.5120388732923202
Energy: 0.5920986889212198
Energy: 0.5120388732882656
Energy: 0.5921024738485937
Energy: 0.5120331286118622
Energy: 0.5921273874149596
Energy: 0.5120331286088212
Energy: 0.5921313967304469
Energy: 0.512033128609835
Energy: 0.5921248170143757
Energy: 0.7436767340327836
Energy: 0.7280540212054147
Energy: 0.7436767340327836
Energy: 0.728054021210483
Energy: 0.7436767340337973
Energy: 0.7280540212054147
Energy: 0.5298939318119404
Energy: 0.5115944520598992
Energy: 0.5298939318119404
Energy: 0.5115944520548309
Energy: 0.5298939318119404
Energy: 0.5115944520588854
Energy: 0.5924957669313818
Energy: 0.6769270233590968
Energy: 0.5924957669293546
Energy: 0.6769315117870143
Energy: 0.5924957669283408
Energy: 0.6769407251751288
Energy: 0.7399420841329852
Energy: 0.5304145747012484
Energy: 0.7399421603917403
Energy: 0.530449149132959
Energy: 0.7399420799930407
Energy: 0.5304290760420823
Energy: 0.5114196172728496
Energy: 0.5298634357303028
Energy: 0.5114196172728496
Energy: 0.5298634357303028
Energy: 0.5114196172728496
Energy: 0.5298634357303028
Energy: 0.740175177339168
Energy: 0.5303391976263319
Energy: 0.7401752076663404
Energy: 0.5303355557459967
Energy: 0.7401751990591793
Energy: 0.5303165197356229
Energy: 0.5926907135278255
Energy: 0.6767980737399686
Energy: 0.5926907135247845
Energy: 0.6768026282550903
Energy: 0.592690713517689
Energy: 0.67679262085396
Energy: 0.5298910520753133
Energy: 0.5116488882100048
Energy: 0.5298910520753133
Energy: 0.5116488882120319
Energy: 0.5298910520742995
Energy: 0.5116488882171003
Energy: 0.7439723460888827
Energy: 0.7281635232610906
Energy: 0.7439723460807735
Energy: 0.7281635232590632
Energy: 0.7439723460868554
Energy: 0.7281635232499403
Energy: 0.5120388732892793
Energy: 0.5920964941687763
Energy: 0.5120388732892793
Energy: 0.5923315910219981
Energy: 0.5120388732892793
Energy: 0.5923371584790346
Energy: 0.5120331286088212
Energy: 0.5921249776446141
Energy: 0.5120331286128759
Energy: 0.592124478330902
Energy: 0.5120331286108486
Energy: 0.5921255146504737
Energy: 0.7436767340307562
Energy: 0.7280540212074421
Energy: 0.7436767340358245
Energy: 0.7280540212023738
Energy: 0.7436767340277153
Energy: 0.728054021210483

minimum gb energy = 0.5114196172728496 eV
minimum distance =  2.36623042614985 Angstroms
sigma value = 11


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

Energy: 0.9767741417173229
Energy: 0.9417838164705002
Energy: 0.9767741417165805
Energy: 0.9417838164705002
Energy: 0.9767741417188079
Energy: 0.9417838164705002
Energy: 0.983240852920846
Energy: 0.9290547025096931
Energy: 0.9832408529186182
Energy: 0.9290547025096931
Energy: 0.9832408529201033
Energy: 0.9290547025104356
Energy: 1.0407576244526733
Energy: 1.245281205441221
Energy: 1.0261963432365344
Energy: 1.245281205441221
Energy: 1.0261963432380194
Energy: 1.2452812054419635
Energy: 1.0543289394444317
Energy: 0.9570138146261492
Energy: 1.054328939445174
Energy: 0.9570138146261492
Energy: 1.054328939443689
Energy: 0.9570138146268918
Energy: 0.909140604379093
Energy: 0.8803200424005027
Energy: 0.909140604379093
Energy: 0.8803200424005027
Energy: 0.9091406043783506
Energy: 0.8803200424005027
Energy: 0.9650043729112668
Energy: 0.9244246983093161
Energy: 0.9650043729112668
Energy: 0.9244246983093161
Energy: 0.9650043729120092
Energy: 0.9244246983100586
Energy: 0.8982998402098826
Energy: 1.0522054461468024
Energy: 0.8982998402098826
Energy: 1.05220544614903
Energy: 0.8982998402098826
Energy: 1.05220544614606
Energy: 0.9384226769687898
Energy: 0.86206709112579
Energy: 0.9384226769680473
Energy: 0.8620670911243049
Energy: 0.9384226769673046
Energy: 0.86206709112579
Energy: 0.9361164679101697
Energy: 0.8707670468949956
Energy: 0.9361164679101697
Energy: 0.8707670468949956
Energy: 0.9361164679101697
Energy: 0.870767046894253
Energy: 0.8720344684661158
Energy: 1.1373070212385128
Energy: 0.8720344684661158
Energy: 1.1373070212392553
Energy: 0.8720344684661158
Energy: 1.1373070212392553
Energy: 1.0608265568667306
Energy: 1.0104418327572322
Energy: 1.0608265568667306
Energy: 1.010441832758717
Energy: 1.0608265568652455
Energy: 1.0104418327572322
Energy: 0.9111305206307759
Energy: 0.8742792062970883
Energy: 0.9111305206307759
Energy: 0.8742792062970883
Energy: 0.9111305206300333
Energy: 0.8742792062963459
Energy: 0.9234198960862602
Energy: 0.965002380159109
Energy: 0.9234198960862602
Energy: 0.9650023801598514
Energy: 0.9234198960847753
Energy: 0.965002380159109
Energy: 1.0064438728929344
Energy: 1.1949556868252889
Energy: 1.0064438728929344
Energy: 1.1949556868252889
Energy: 1.0064438728921918
Energy: 1.1949556868252889
Energy: 1.0529607237747658
Energy: 0.9209599046671274
Energy: 1.0529607237755083
Energy: 0.9209599046671274
Energy: 1.0529607237740235
Energy: 0.9209599046671274
Energy: 0.9788560238039145
Energy: 0.9432815302169368
Energy: 0.9788560238039145
Energy: 0.9432815302169368
Energy: 0.9788560238046569
Energy: 0.9432815302169368
Energy: 0.9020473296735654
Energy: 0.9242391183648113
Energy: 0.9020473296713378
Energy: 0.9242391183648113
Energy: 0.9020473296735654
Energy: 0.9242391183648113
Energy: 1.095447467701201
Energy: 1.0858931197712336
Energy: 1.0954474676937755
Energy: 1.0858931197719761
Energy: 1.095447467699716
Energy: 1.0858931197719761
Energy: 1.0369672796876106
Energy: 0.948931607621281
Energy: 1.0369672796876106
Energy: 0.948931607621281
Energy: 1.0369672796883533
Energy: 0.948931607621281
Energy: 0.9111653455529448
Energy: 0.9098541498661084
Energy: 0.9111653455529448
Energy: 0.9098541498661084
Energy: 0.9111653455529448
Energy: 0.9098541498661084
Energy: 0.8720740711062562
Energy: 0.9230966370442807
Energy: 0.8720740711077412
Energy: 0.9230966370427958
Energy: 0.8720740711069986
Energy: 0.9230966370442807
Energy: 0.9960274507382192
Energy: 1.0492337581700935
Energy: 0.9960274507382192
Energy: 1.0492337581723208
Energy: 0.9960274507374767
Energy: 1.0492337581715783
Energy: 0.9440211103990793
Energy: 0.941271720596413
Energy: 0.9440211103990793
Energy: 0.941271720596413
Energy: 0.9440211103983368
Energy: 0.941271720596413
Energy: 0.9380976989462138
Energy: 0.89754521184532
Energy: 0.9380976989462138
Energy: 0.8975452118445774
Energy: 0.9380976989469563
Energy: 0.8975452118445774
Energy: 0.8717696614973389
Energy: 1.1100612907073653
Energy: 0.8717696614958539
Energy: 1.1100612907081076
Energy: 0.8717696614958539
Energy: 1.1100612907073653
Energy: 1.2727784509663664
Energy: 1.0527088918818863
Energy: 1.272778450965624
Energy: 1.0527088918811438
Energy: 1.272778450967109
Energy: 1.0527088918804013

minimum gb energy = 0.8620670911243049 eV
minimum distance =  2.24945316903674 Angstroms
sigma value = 41


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

Energy: 1.0286251168881257
Energy: 0.8924573639775879
Energy: 1.0286251168881257
Energy: 0.8924573639775879
Energy: 1.0286251168875407
Energy: 0.8924573639775879
Energy: 1.0354827430532914
Energy: 0.9989041627321654
Energy: 1.0354827430532914
Energy: 0.9989041627327506
Energy: 1.0354827430538764
Energy: 0.9989041627339212
Energy: 1.1617873716706686
Energy: 1.2747226987072553
Energy: 1.1617873716700833
Energy: 1.2747226987066702
Energy: 1.1617873716712537
Energy: 1.2747226987066702
Energy: 1.0112596050784664
Energy: 0.8843066696080127
Energy: 1.0112596050743696
Energy: 0.8843066696080127
Energy: 1.011259605079637
Energy: 0.8843066696085979
Energy: 0.8740403065351054
Energy: 0.9029104484692421
Energy: 0.8740403065333497
Energy: 0.9029104484692421
Energy: 0.8740403065356905
Energy: 0.9029104484698275
Energy: 1.0247484996769445
Energy: 0.9843623441385658
Energy: 1.0247484996775293
Energy: 0.9843623441379806
Energy: 1.0247484996769445
Energy: 0.9843623441373953
Energy: 0.9320384051594275
Energy: 1.0838918732496474
Energy: 0.9320384051600126
Energy: 1.0838918732525735
Energy: 0.9320384051588422
Energy: 1.0838918732508178
Energy: 0.8969838255457675
Energy: 0.8842737228397528
Energy: 0.896983825546938
Energy: 0.8842737228397528
Energy: 0.8969838255463527
Energy: 0.8842737228397528
Energy: 0.8794724408655885
Energy: 0.8885758455795063
Energy: 0.8794724408644712
Energy: 0.8885758455795063
Energy: 0.8794724408650565
Energy: 0.8885758455789211
Energy: 1.0177703195629326
Energy: 1.1644890272797095
Energy: 1.0177703195635177
Energy: 1.1644890272797095
Energy: 1.0177703195582508
Energy: 1.1644890272797095
Energy: 1.0170378308648462
Energy: 1.1620920545786835
Energy: 1.0170378308642607
Energy: 1.1620920545780982
Energy: 1.0170378308683576
Energy: 1.1620920545786835
Energy: 0.8797456609034082
Energy: 0.9317174149561273
Energy: 0.8797456609039934
Energy: 0.9317174149561273
Energy: 0.8797456609045788
Energy: 0.9317174149561273
Energy: 0.8971240070551302
Energy: 0.8842415346372601
Energy: 0.8971240070551302
Energy: 0.8842415346372601
Energy: 0.8971240070545451
Energy: 0.8842415346372601
Energy: 0.8743003899903444
Energy: 1.1301253536130207
Energy: 0.8743003899909296
Energy: 1.1301253535960487
Energy: 0.8743003899903444
Energy: 1.1301253536598392
Energy: 1.0244428975204087
Energy: 0.9852009766541543
Energy: 1.0244428975209938
Energy: 0.98520097665591
Energy: 1.0244428975204087
Energy: 0.9852009766564952
Energy: 0.8745130215370662
Energy: 0.9172611553897936
Energy: 0.8745130215370662
Energy: 0.9172611553897936
Energy: 0.8745130215376515
Energy: 0.9172611553897936
Energy: 0.8967632279853357
Energy: 0.8842268231605913
Energy: 0.896763227985921
Energy: 0.8842268231600062
Energy: 0.8967632279865061
Energy: 0.8842268231600062
Energy: 1.0431070822076178
Energy: 1.297698482583438
Energy: 1.0431070822070327
Energy: 1.2976984825828526
Energy: 1.0431070822070327
Energy: 1.297698482583438
Energy: 1.0017468594278782
Energy: 0.9945545457482433
Energy: 1.0017468594278782
Energy: 0.9945545457464875
Energy: 1.0017468594261227
Energy: 0.9945545457488284
Energy: 1.030200231886999
Energy: 0.9998597590520039
Energy: 1.030200231887584
Energy: 0.94727276616422
Energy: 1.0302002318881693
Energy: 0.94727276616422
Energy: 0.8800611528387777
Energy: 0.994979937450957
Energy: 0.8800611528387777
Energy: 0.994979937450957
Energy: 0.8800611528393629
Energy: 0.994979937453298
Energy: 1.1594804467894504
Energy: 1.1755582837338046
Energy: 1.1594804467853537
Energy: 1.175558283732634
Energy: 1.1594804467847684
Energy: 1.175558283732634
Energy: 1.011862001401935
Energy: 0.8851850378499244
Energy: 1.0118620013990087
Energy: 0.8851850378499244
Energy: 1.0118620014013497
Energy: 0.8851850378499244
Energy: 0.8743805312203933
Energy: 1.0310579938991942
Energy: 0.8743805312215638
Energy: 0.9538378091290157
Energy: 0.8743805312209785
Energy: 0.953837809129601
Energy: 0.8745278549233106
Energy: 0.9840624229996716
Energy: 0.8745278549233106
Energy: 0.9840624229996716
Energy: 0.8745278549233106
Energy: 0.9840624229996716
Energy: 0.9314485805175055
Energy: 0.9355774203249954
Energy: 0.931448580518676
Energy: 0.9355774203249954
Energy: 0.9314485805180908
Energy: 0.9646149780163907
Energy: 0.8964286487051416
Energy: 0.8848725434711676
Energy: 0.8964286487045564
Energy: 0.8848725434711676
Energy: 0.8964286487039711
Energy: 0.8848725434711676
Energy: 0.8805338036580183
Energy: 1.0231083185250318
Energy: 0.8805338036574328
Energy: 0.9372634702662591
Energy: 0.8805338036580183
Energy: 0.9372634702656738
Energy: 1.0224537728946652
Energy: 1.004513912319974
Energy: 1.0224537728940803
Energy: 1.0045139123205593
Energy: 1.0224537728952507
Energy: 1.004513912319974
Energy: 1.2180995677030102
Energy: 0.8750431776331578
Energy: 1.2180995677035953
Energy: 0.8750431776331578
Energy: 1.2180995677030102
Energy: 0.9024532047391851
Energy: 0.8798232373499746
Energy: 0.9310291821045907
Energy: 0.8798232373499746
Energy: 0.9310291821045907
Energy: 0.8798232373499746
Energy: 0.9310291821045907
Energy: 0.8979931057138691
Energy: 0.884008605238413
Energy: 0.8979931057156249
Energy: 0.884008605238413
Energy: 0.8979931057138691
Energy: 0.884008605238413
Energy: 0.8742583503891329
Energy: 0.9171984227315101
Energy: 0.874258350389718
Energy: 0.9171984227315101
Energy: 0.8742583503891329
Energy: 0.9171984227315101

minimum gb energy = 0.8740403065333497 eV
minimum distance =  2.26208757162323 Angstroms
sigma value = 33


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

Energy: 0.9609666246192645
Energy: 0.9095015841003243
Energy: 0.9351493921740934
Energy: 0.9095015841007722
Energy: 0.960966624618443
Energy: 0.9095015840983081
Energy: 1.1888536453861471
Energy: 0.9471732339264567
Energy: 1.1888536453890595
Energy: 0.9471732339264567
Energy: 1.1888536453861471
Energy: 0.9471732339190638
Energy: 1.1489478032598905
Energy: 1.173243044413522
Energy: 1.1489478032513025
Energy: 1.173243044413522
Energy: 1.148947803260712
Energy: 1.1732430444188988
Energy: 1.1210937889983943
Energy: 0.9006383340105161
Energy: 1.121093789005339
Energy: 0.9006383340105161
Energy: 1.1210937889983943
Energy: 0.9006383340092466
Energy: 0.9007253673926815
Energy: 1.1605842635723904
Energy: 0.9007252460193537
Energy: 1.1605842635732118
Energy: 0.9007253673931297
Energy: 1.160584263572017
Energy: 1.112528364555788
Energy: 0.8885178426065968
Energy: 1.112528364547648
Energy: 0.8885178426069702
Energy: 1.112528364555788
Energy: 0.8885178426098825
Energy: 1.0030588086659777
Energy: 1.190407363045489
Energy: 1.003058808661049
Energy: 1.190407363045489
Energy: 1.0030588086651564
Energy: 1.1904073630545249
Energy: 1.0151664714838111
Energy: 1.0613084977464355
Energy: 1.015166471492399
Energy: 1.0613084977464355
Energy: 1.0151664714841844
Energy: 1.0613084977521858
Energy: 1.1645720348668807
Energy: 0.9121809430083371
Energy: 1.164572370864402
Energy: 0.9121809430083371
Energy: 1.164572034867329
Energy: 0.9121809430070675
Energy: 1.2143744284847628
Energy: 0.9633570549287389
Energy: 1.2143744284876754
Energy: 0.9633570549282907
Energy: 1.2143744284852107
Energy: 0.9633570549282907
Energy: 1.0163831494295459
Energy: 0.992450599609324
Energy: 1.0163831494176725
Energy: 0.9924505996081291
Energy: 1.0163831494303672
Energy: 0.9924505995838591
Energy: 1.1608503180893193
Energy: 0.9007575118386398
Energy: 1.1608503180983551
Energy: 0.9007575118381916
Energy: 1.1608503180893193
Energy: 0.9007575118394613
Energy: 0.8931567127554053
Energy: 1.1439594457678555
Energy: 0.8931567127603339
Energy: 1.1439594457678555
Energy: 0.8931567127557785
Energy: 1.1439594457748752
Energy: 1.05741728662486
Energy: 1.0166738255215788
Energy: 1.05741728663061
Energy: 1.0166738255224002
Energy: 1.0574172866244866
Energy: 1.0166738255170984
Energy: 1.057325946894557
Energy: 0.9783433339613605
Energy: 1.0573259469019503
Energy: 0.978343333962182
Energy: 1.0573259468941838
Energy: 0.9783433339765198
Energy: 0.9103399094247662
Energy: 1.0894537096222947
Energy: 0.9103399094264092
Energy: 1.0894537096210255
Energy: 0.9103399094247662
Energy: 1.0894537096264023
Energy: 1.1392073932827897
Energy: 0.9041047180303905
Energy: 1.1392073932885398
Energy: 0.9041047180307639
Energy: 1.1392073932832378
Energy: 0.9041047180307639
Energy: 0.9004349325943181
Energy: 1.120974828876749
Energy: 0.900435492948287
Energy: 1.120974828876749
Energy: 0.9004349325939447
Energy: 1.1209748288816774
Energy: 1.1747034012652973
Energy: 1.2541366477745954
Energy: 1.1747034012800084
Energy: 1.2541366477742217
Energy: 1.1747034012656705
Energy: 1.2541366477688454
Energy: 1.1361092572890896
Energy: 0.8870249508639624
Energy: 1.1361092572899112
Energy: 0.8870249508639624
Energy: 1.136109257290359
Energy: 0.8870249508520142
Energy: 0.911785756414077
Energy: 0.9380029752807449
Energy: 0.9117857564218433
Energy: 0.9380029752807449
Energy: 0.9117857564136288
Energy: 0.9380029753000115
Energy: 0.946483327529745
Energy: 1.1857142064739037
Energy: 0.9462945590013393
Energy: 1.1857142064735302
Energy: 0.946483327529745
Energy: 1.185714206476816
Energy: 1.0863825257457411
Energy: 1.1155562978971512
Energy: 1.0863825257551505
Energy: 1.1155562978971512
Energy: 1.0863825257461144
Energy: 1.115556297899242
Energy: 0.9022406646435106
Energy: 1.1233445504367008
Energy: 0.9022406646509036
Energy: 1.123344550437074
Energy: 0.9022406646435106
Energy: 1.123344550442824
Energy: 0.9023759781141868
Energy: 0.9041213908141508
Energy: 0.9023759781191155
Energy: 0.9041213908137026
Energy: 0.9023759781153816
Energy: 0.9041213908145241
Energy: 0.8882711616021979
Energy: 1.1080718233952351
Energy: 0.8882711616013763
Energy: 1.1080718233944136
Energy: 0.8882711616017497
Energy: 1.1080718233981475
Energy: 1.1632717965795027
Energy: 0.9992090304565153
Energy: 1.1632717965700932
Energy: 0.9992090304565153
Energy: 1.1632717965799504
Energy: 0.9992090304700318
Energy: 0.9609297041554233
Energy: 0.9120315232154962
Energy: 0.934331952339004
Energy: 0.9120315232154962
Energy: 0.9609297041558715
Energy: 0.9120315232105675
Energy: 0.9102270295304569
Energy: 1.143559020162223
Energy: 0.9102270295444214
Energy: 1.1435590201626713
Energy: 0.9102270295296353
Energy: 1.1435590201367583
Energy: 0.9633989110176413
Energy: 1.186061372436438
Energy: 0.9633989110345181
Energy: 1.1860613724360647
Energy: 0.9633989110180894
Energy: 1.1860613724270286
Energy: 1.1246669813615662
Energy: 0.9011438457082048
Energy: 1.1246669813623877
Energy: 0.9011438457078315
Energy: 1.1246669813615662
Energy: 0.9011438457061886
Energy: 0.9009051987561947
Energy: 1.1611424952735077
Energy: 0.9009100188106145
Energy: 1.1611424952738811
Energy: 0.9009051987557465
Energy: 1.1611424952862028
Energy: 1.1369758967177976
Energy: 0.8969677755230925
Energy: 1.1369758967177976
Energy: 0.8969677755230925
Energy: 1.1369758967177976
Energy: 0.8969677755214496
Energy: 1.0162359205671787
Energy: 1.0589669629108682
Energy: 1.0162359205606073
Energy: 1.0589669629104945
Energy: 1.0162359205675522
Energy: 1.0589669628743512
Energy: 1.0147429914949548
Energy: 1.0573560081264015
Energy: 1.014742991485172
Energy: 1.0573560081264015
Energy: 1.0147429914957762
Energy: 1.0573560081288658
Energy: 1.1356937377784966
Energy: 0.9142720955945899
Energy: 1.1357119608687405
Energy: 0.9142720955945899
Energy: 1.135693737778123
Energy: 0.9142720955998918
Energy: 0.9008040504789676
Energy: 1.1342565682498886
Energy: 0.9008040504843443
Energy: 1.134256568250262
Energy: 0.9008040504785942
Energy: 1.1342565682671388
Energy: 1.0585246333251288
Energy: 0.9007631946528329
Energy: 1.0585246333177358
Energy: 0.9007631946528329
Energy: 1.0585246333251288
Energy: 0.9007631946355826
Energy: 0.9856973012216554
Energy: 1.1748650028721679
Energy: 0.9856964196061387
Energy: 1.1748650028713465
Energy: 0.9856973012216554
Energy: 1.1748650028508851
Energy: 0.8916287296494585
Energy: 1.14120325488231
Energy: 0.8916287296494585
Energy: 1.14120325488231
Energy: 0.89162872965028
Energy: 1.141203254881115
Energy: 0.9345002940383507
Energy: 0.912064255754719
Energy: 0.9345002940326005
Energy: 0.9120642557543457
Energy: 0.9345002940383507
Energy: 0.9120642557629335
Energy: 1.187691546002128
Energy: 0.9782976593813771
Energy: 1.1876915459980208
Energy: 0.9782976593813771
Energy: 1.187691546002576
Energy: 0.9782976593657696
Energy: 0.9099661645265764
Energy: 1.092757541896497
Energy: 0.9099661645290407
Energy: 1.092757541896049
Energy: 0.9099661645265764
Energy: 1.092757541916585
Energy: 0.8786130258070438
Energy: 0.9037266872773198
Energy: 0.8786130257976347
Energy: 0.9037266872773198
Energy: 0.8786130257849395
Energy: 0.9037266872925537
Energy: 0.9008108131929887
Energy: 1.1263703604188955
Energy: 0.9008105130906651
Energy: 1.1263703604188955
Energy: 0.9008108131926154
Energy: 1.1263703604180741
Energy: 1.1042793084279146
Energy: 1.114021685012571
Energy: 1.1042793084167875
Energy: 1.114021685012571
Energy: 1.1042793084262716
Energy: 1.1140216850154088
Energy: 0.9463963983184338
Energy: 1.160138921260738
Energy: 0.9463963983147747
Energy: 1.160138921260738
Energy: 0.9463963983184338
Energy: 1.1601389212779882

minimum gb energy = 0.8786130257849395 eV
minimum distance =  2.23875860288015 Angstroms
sigma value = 67


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

Energy: 0.8566427369432459
Energy: 0.8872246696212589
Energy: 0.8566427369432459
Energy: 0.8872246696212589
Energy: 0.8566427369432459
Energy: 0.8872246696212589
Energy: 0.8541441121999026
Energy: 0.8822040606605013
Energy: 0.8541441121999026
Energy: 0.8822040606605013
Energy: 0.8541441121999026
Energy: 0.8822040606632463
Energy: 1.4129272960019832
Energy: 1.1736891754470553
Energy: 1.218709118503918
Energy: 1.1736891754470553
Energy: 0.9167420869610275
Energy: 1.1736891754470553
Energy: 0.8537801541640787
Energy: 0.8822105356529173
Energy: 0.8537801541640787
Energy: 0.8822105356556624
Energy: 0.8537801541640787
Energy: 0.8822105356529173
Energy: 0.8566427369405007
Energy: 0.8872246696158314
Energy: 0.8566427369405007
Energy: 0.8872246696158314
Energy: 0.8566427369405007
Energy: 0.8872246696158314
Energy: 0.8541441122026476
Energy: 0.8822040606605013
Energy: 0.8541441122026476
Energy: 0.8822040606605013
Energy: 0.8541441122026476
Energy: 0.8822040606605013
Energy: 0.9167420869610275
Energy: 1.1736891754470553
Energy: 0.9167420869610275
Energy: 1.1736891754470553
Energy: 0.9167420869610275
Energy: 1.1736891754470553

minimum gb energy = 0.8537801541640787 eV
minimum distance =  2.27730853404461 Angstroms
sigma value = 3


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

Energy: 1.1112702447361333
Energy: 1.0103527370223715
Energy: 1.111270244739869
Energy: 1.0103527370223715
Energy: 1.111270244739869
Energy: 1.0103527370223715
Energy: 1.1055784016237298
Energy: 0.9864961417872681
Energy: 1.1055784016237298
Energy: 0.9864961417910034
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Energy: 1.0210597639619725
Energy: 1.086384368452912
Energy: 1.021059763965708
Energy: 1.0863843684491765
Energy: 1.0210597639582368
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Energy: 1.0364706589728285
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Energy: 1.0364706589728285
Energy: 1.0036178817712247
Energy: 1.0364706589728285
Energy: 1.1920121161359378
Energy: 1.0421763835563733
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Energy: 1.0069305252224936
Energy: 1.145819468526327
Energy: 1.0069305252187584
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Energy: 1.0069305252224936
Energy: 1.145819468526327
Energy: 1.0321162079505335
Energy: 0.9923003737799728
Energy: 1.032116207946798
Energy: 0.9923003737799728
Energy: 1.032116207946798
Energy: 0.9923003737799728
Energy: 1.1164874119543875
Energy: 1.0181649649712505
Energy: 1.1164874119543875
Energy: 1.018164964974986
Energy: 1.1164874119543875
Energy: 1.0181649649712505
Energy: 1.1383714069454716
Energy: 1.0350982437183143
Energy: 1.1383714069454716
Energy: 1.0350982437183143
Energy: 1.1383714069454716
Energy: 1.0350982437183143
Energy: 1.014262600262445
Energy: 1.0891306679021462
Energy: 1.014262600262445
Energy: 1.0891306679021462
Energy: 1.014262600262445
Energy: 1.0891306679021462
Energy: 1.0221946823335537
Energy: 1.008482830067347
Energy: 1.0221946823335537
Energy: 1.008482830067347
Energy: 1.0221946823298182
Energy: 1.008482830067347
Energy: 1.0037713483518755
Energy: 1.0193007245536452
Energy: 1.0037713483518755
Energy: 1.0193007245536452
Energy: 1.0037713483518755
Energy: 1.0193007245536452
Energy: 1.1052047631486857
Energy: 1.1031922361653599
Energy: 1.1052047631449502
Energy: 1.1031922361653599
Energy: 1.1052047631486857
Energy: 1.1031922361653599
Energy: 1.0418947259050548
Energy: 1.0885490305008814
Energy: 1.0418947259050548
Energy: 1.0885490305008814
Energy: 1.0418947259050548
Energy: 1.0885490305008814

minimum gb energy = 0.9864961417872681 eV
minimum distance =  2.16920374212309 Angstroms
sigma value = 81


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

Energy: 1.1020634865471841
Energy: 1.0272290428331836
Energy: 1.1020634865461585
Energy: 1.0272290428331836
Energy: 1.1020634865461585
Energy: 1.0272290428331836
Energy: 1.051169676966859
Energy: 1.0767948579652762
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Energy: 1.0767948579591238
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Energy: 1.0528087385701494
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Energy: 0.9579082899061558
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Energy: 1.0260437152070516
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Energy: 1.026043715206539
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Energy: 0.9692703318802434
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Energy: 1.0114719139660733
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Energy: 0.9587538309660089
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Energy: 1.0808863620315143
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Energy: 1.110660142998464
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Energy: 0.9624651511974879
Energy: 0.9806079182169488
Energy: 0.9624651511974879
Energy: 0.980607918216436
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Energy: 1.0950405250663895
Energy: 1.1906009351499567
Energy: 1.095040525065364
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Energy: 1.095040525065364
Energy: 1.1906009351499567
Energy: 1.088308129719954
Energy: 1.0456704061943527
Energy: 1.0883081297194412
Energy: 1.0456704061943527
Energy: 1.0883081297194412
Energy: 1.0456704061943527
Energy: 1.0134848166443486
Energy: 1.0552471257494724
Energy: 1.013484816645374
Energy: 1.05524712574896
Energy: 1.013484816643836
Energy: 1.0552471257494724
Energy: 1.0816806879173533
Energy: 1.0510652330416734
Energy: 1.0816806879168406
Energy: 1.051065233042186
Energy: 1.0816806879173533
Energy: 1.0510652330426986
Energy: 1.0119030029102836
Energy: 1.0112800033490388
Energy: 1.0119030029097709
Energy: 1.0112800033490388
Energy: 1.0119030029107963
Energy: 1.0112800033490388
Energy: 0.9603451600275126
Energy: 1.0934426067670535
Energy: 0.9603451600269999
Energy: 1.093442606767566
Energy: 0.9603451600264872
Energy: 1.0934426067670535
Energy: 1.046828095717799
Energy: 1.075426360991395
Energy: 1.0468280957172862
Energy: 1.075426360991395
Energy: 1.046828095717799
Energy: 1.0754263609908825
Energy: 1.0278032611213495
Energy: 1.0134840368325986
Energy: 1.0278032611223746
Energy: 1.0134840368331113
Energy: 1.0278032611228876
Energy: 1.0134840368331113
Energy: 1.0618860291289076
Energy: 1.078733745101357
Energy: 1.0618860291299332
Energy: 1.078733745101357
Energy: 1.0618860291314711
Energy: 1.078733745101357
Energy: 1.004362496235783
Energy: 1.160013883676199
Energy: 1.004362496235783
Energy: 1.1600138836756864
Energy: 1.0043624962368085
Energy: 1.160013883676199
Energy: 0.9795678765997429
Energy: 0.9636330811448593
Energy: 0.9795678766012811
Energy: 0.9636330811448593
Energy: 0.9795678765987175
Energy: 0.9636330811448593
Energy: 1.0822341704628886
Energy: 1.0624405456806436
Energy: 1.0822341704618632
Energy: 1.062440545680131
Energy: 1.0822341704618632
Energy: 1.0624405456806436
Energy: 1.0529434146847119
Energy: 1.123290185828107
Energy: 1.0529434146847119
Energy: 1.123290185828107
Energy: 1.0529434146857375
Energy: 1.1232901858286195

minimum gb energy = 0.9575639175918228 eV
minimum distance =  2.21525128127652 Angstroms
sigma value = 43


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

Energy: 1.116223553755534
Energy: 1.0340062041518627
Energy: 1.116223553755534
Energy: 1.0340062041518627
Energy: 1.1162235537542746
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Energy: 1.1045191922430033
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Energy: 1.0735150164578322
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Energy: 1.1630485088438218
Energy: 1.0735150164578322
Energy: 1.1450175897968475
Energy: 1.0283961040539311
Energy: 1.1450175897962178
Energy: 1.0283961040539311
Energy: 1.145017589795588
Energy: 1.0283961040533014
Energy: 1.0263404223387176
Energy: 0.9980218344560012
Energy: 1.0263404223380879
Energy: 0.9980218344560012
Energy: 1.0263404223387176
Energy: 0.9980218344566311
Energy: 1.032252500826099
Energy: 1.0668310948322388
Energy: 1.032252500826099
Energy: 1.0668310948322388
Energy: 1.032252500826099
Energy: 1.0668310948322388
Energy: 1.10246813838497
Energy: 1.060443985758623
Energy: 1.1024681383843402
Energy: 1.060443985758623
Energy: 1.10246813838497
Energy: 1.060443985758623
Energy: 0.991013034673128
Energy: 1.0856175583899927
Energy: 0.9910130346743873
Energy: 1.0856175583906225
Energy: 0.991013034673128
Energy: 1.0856175583906225
Energy: 1.0040015825084567
Energy: 1.0664998344067635
Energy: 1.0040015825071973
Energy: 1.0664998344067635
Energy: 1.0040015825065676
Energy: 1.0664998344061338
Energy: 1.0368257165985109
Energy: 1.056389284627357
Energy: 1.0368257165978811
Energy: 1.056389284625468
Energy: 1.0368257165985109
Energy: 1.0563892846267273
Energy: 1.1426484856586252
Energy: 1.0787292536574227
Energy: 1.1426484856592547
Energy: 1.0787292536580524
Energy: 1.1426484856592547
Energy: 1.0787292536580524
Energy: 1.0164944112857812
Energy: 1.0305192410198092
Energy: 1.0164944112857812
Energy: 1.0305192410198092
Energy: 1.0164944112870409
Energy: 1.0305192410198092
Energy: 1.0407953396884684
Energy: 1.005919990324072
Energy: 1.0407953396878387
Energy: 1.005919990324072
Energy: 1.0407953396884684
Energy: 1.0059199903234424
Energy: 1.0367557652756278
Energy: 1.00706868707672
Energy: 1.0367557652749981
Energy: 1.00706868707672
Energy: 1.0367557652749981
Energy: 1.00706868707672
Energy: 1.0983205938199787
Energy: 1.1094283019357025
Energy: 1.0983205938199787
Energy: 1.1094283019357025
Energy: 1.0983205938206084
Energy: 1.1094283019357025
Energy: 1.0168298725575138
Energy: 1.0692181216665257
Energy: 1.016829872556884
Energy: 1.0692181216671555
Energy: 1.0168298725575138
Energy: 1.0692181216665257

minimum gb energy = 0.991013034673128 eV
minimum distance =  2.18451724223059 Angstroms
sigma value = 57


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

Energy: 1.0389429511609531
Energy: 0.9181581117962855
Energy: 1.0389429511609531
Energy: 0.9181581117962855
Energy: 1.0389429511601378
Energy: 0.91815811179547
Energy: 0.9764263631936225
Energy: 0.952098176237224
Energy: 0.9764263631928072
Energy: 0.9520981762380394
Energy: 0.9764263631919918
Energy: 0.952098176237224
Energy: 0.9824469717653974
Energy: 1.156902835064887
Energy: 0.9824469717670283
Energy: 1.156902835064887
Energy: 0.9824469717670283
Energy: 1.156902835064887
Energy: 1.1188277212227027
Energy: 1.0010448219370456
Energy: 1.1188277212218873
Energy: 1.0010448219370456
Energy: 1.1188277212227027
Energy: 1.0010448219370456
Energy: 1.1821179826878605
Energy: 0.9941388754281384
Energy: 1.1821179826878605
Energy: 0.9941388754281384
Energy: 1.1821179826878605
Energy: 0.9941388754281384
Energy: 0.9808320306616765
Energy: 1.0028226688561295
Energy: 0.9808320306616765
Energy: 1.0028226688561295
Energy: 0.9808320306633073
Energy: 1.0028226688577233
Energy: 1.084079339311543
Energy: 1.011919584372246
Energy: 1.0840793393123584
Energy: 1.0119195843730613
Energy: 1.084079339311543
Energy: 1.0119195843730613
Energy: 1.0407738449064763
Energy: 0.9151805521752778
Energy: 1.040773844905661
Energy: 0.9151805521752778
Energy: 1.0407738449064763
Energy: 0.9151805521752778
Energy: 1.0706306730955513
Energy: 0.9528699424777629
Energy: 1.070630631553114
Energy: 0.9528699424777629
Energy: 1.070630642706693
Energy: 0.9528699424777629
Energy: 0.8705065086971256
Energy: 0.9775369322003854
Energy: 0.8705065086987563
Energy: 0.9775369322003854
Energy: 0.870506508697941
Energy: 0.9775369322003854
Energy: 1.0602086132514768
Energy: 0.995916083127614
Energy: 1.060208613252292
Energy: 0.9959160831284294
Energy: 1.060208613252292
Energy: 0.9959160831284294
Energy: 1.187769172930456
Energy: 0.9920186744681686
Energy: 1.1877691729288253
Energy: 0.9920186744681686
Energy: 1.187769172930456
Energy: 0.9920186744681686
Energy: 0.9822434628466913
Energy: 0.952836563935197
Energy: 0.9822434628458759
Energy: 0.952836563935197
Energy: 0.9822434628458759
Energy: 0.952836563935197
Energy: 1.087710683106164
Energy: 0.9163529469518996
Energy: 1.0877106831053487
Energy: 0.916352946952715
Energy: 1.087710683106164
Energy: 0.9163529469518996
Energy: 1.0795667484738738
Energy: 0.9165530903516986
Energy: 1.0795667484738738
Energy: 0.9165530903516986
Energy: 1.0795667484746891
Energy: 0.9165530903516986
Energy: 1.066413201834442
Energy: 0.9509391165589501
Energy: 1.066413200984369
Energy: 0.9509391165597657
Energy: 1.066413201140033
Energy: 0.9509391165589501
Energy: 0.8706381759324632
Energy: 1.0441531806672983
Energy: 0.8706381759316478
Energy: 1.0441531806672983
Energy: 0.8706381759316478
Energy: 1.0441531806681137
Energy: 1.058118806595215
Energy: 0.8707140292933635
Energy: 1.058118806595215
Energy: 0.8707140292933635
Energy: 1.058118806595215
Energy: 0.8707140292925479
Energy: 0.8706420693673123
Energy: 1.0442530663648646
Energy: 0.8706420693664969
Energy: 1.0442530663648646
Energy: 0.8706420693673123
Energy: 1.0442530663640492
Energy: 1.0562149145851945
Energy: 0.9509376863016039
Energy: 1.0562149145729636
Energy: 0.9509376863016039
Energy: 1.0562149145648099
Energy: 0.9509376863024193
Energy: 1.07978449004311
Energy: 0.9165094432072006
Energy: 1.07978449004311
Energy: 0.916509443208016
Energy: 1.07978449004311
Energy: 0.9165094432072006
Energy: 1.0877822563563726
Energy: 1.0825486998976217
Energy: 1.087782256357188
Energy: 1.0825486998976217
Energy: 1.087782256357188
Energy: 1.0825486998976217
Energy: 0.982398740587787
Energy: 0.9530040536838623
Energy: 0.982398740587787
Energy: 0.9530040536838623
Energy: 0.9823987405886022
Energy: 0.9530040536838623
Energy: 1.1882239433665118
Energy: 0.9919596912987912
Energy: 1.1882239433665118
Energy: 0.9919596912987912
Energy: 1.1882239433665118
Energy: 0.9919596912987912

minimum gb energy = 0.8705065086971256 eV
minimum distance =  2.25172166834254 Angstroms
sigma value = 17


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

Energy: 1.050160761867903
Energy: 0.9356049089467819
Energy: 1.050160761867903
Energy: 0.935604908947935
Energy: 1.050160761867903
Energy: 0.935604908947935
Energy: 0.956099240028704
Energy: 0.965518170230319
Energy: 0.956099240028704
Energy: 0.9655181702291661
Energy: 0.956099240028704
Energy: 0.9655181702291661
Energy: 0.9577256686153861
Energy: 1.05640699030488
Energy: 0.9577256686153861
Energy: 1.05640699030488
Energy: 0.9577256686142328
Energy: 1.05640699030488
Energy: 0.9720278900335951
Energy: 1.0121337218004853
Energy: 0.9720278900335951
Energy: 1.0121337218004853
Energy: 0.9720278900335951
Energy: 1.0121337218004853
Energy: 0.9752795031436586
Energy: 0.9961322481839388
Energy: 0.9752795031425053
Energy: 0.9961322481839388
Energy: 0.9752795031425053
Energy: 0.9961322481839388
Energy: 0.9825554056154031
Energy: 1.023458913114415
Energy: 0.9825554056154031
Energy: 1.023458913114415
Energy: 0.9825554056154031
Energy: 1.023458913115568
Energy: 1.0481629801142947
Energy: 1.0212898282770797
Energy: 1.0481629801142947
Energy: 1.0212898282759266
Energy: 1.0481629801142947
Energy: 1.0212898282759266
Energy: 0.9749262702867895
Energy: 1.0160274103284226
Energy: 0.9749262702879424
Energy: 1.0160274103295759
Energy: 0.9749262702879424
Energy: 1.0160274103295759
Energy: 0.8940186839506512
Energy: 0.966423670694401
Energy: 0.8940186839506512
Energy: 0.9664236706932479
Energy: 0.894018683949498
Energy: 0.9664236706932479
Energy: 1.009447232359032
Energy: 0.9567850235880291
Energy: 1.009447232359032
Energy: 0.9567850235880291
Energy: 1.009447232359032
Energy: 0.9567850235880291
Energy: 1.0365883954676773
Energy: 1.010298249162192
Energy: 1.0365883954676773
Energy: 1.0102982491644983
Energy: 1.0365883954676773
Energy: 1.010298249163345
Energy: 0.8942383467068645
Energy: 0.9893783126079034
Energy: 0.8942383467068645
Energy: 0.9893783126079034
Energy: 0.8942383467080176
Energy: 0.9893783126079034
Energy: 0.9421300505877047
Energy: 1.0263705190246637
Energy: 0.9421300505877047
Energy: 1.0263705190258168
Energy: 0.9421300505877047
Energy: 1.0263705190235106
Energy: 0.9593042190269412
Energy: 0.915416808005514
Energy: 0.9593042190280943
Energy: 0.915416808005514
Energy: 0.9593042190269412
Energy: 0.915416808005514
Energy: 0.9769996228467153
Energy: 1.0947725295923851
Energy: 0.9769996228478683
Energy: 1.0947725295923851
Energy: 0.9769996228478683
Energy: 1.0947725295923851
Energy: 0.9764164264183582
Energy: 1.1161845771311398
Energy: 0.9764164264195114
Energy: 1.1161845771311398
Energy: 0.9764164264183582
Energy: 1.1161845771311398
Energy: 0.9574706392217086
Energy: 0.9194718730036656
Energy: 0.9574706392217086
Energy: 0.9194718730036656
Energy: 0.9574706392217086
Energy: 0.9194718730048186

minimum gb energy = 0.894018683949498 eV
minimum distance =  2.23579028802488 Angstroms
sigma value = 17


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

Energy: 1.0538205887373782
Energy: 0.9373900965684185
Energy: 1.0538205887378234
Energy: 0.9373900965697544
Energy: 1.0538205887351515
Energy: 0.9373900965697544
Energy: 0.9913283074291134
Energy: 0.9441957927652378
Energy: 0.9913283074291134
Energy: 0.9441957927643472
Energy: 0.991328307430004
Energy: 0.9441957927656832
Energy: 0.9078185539125705
Energy: 0.9492393881514358
Energy: 0.9078185539143518
Energy: 0.9492393881518812
Energy: 0.9078185539139064
Energy: 0.9492393881514358
Energy: 0.9762315205812494
Energy: 0.8615567309640926
Energy: 0.976231520580359
Energy: 0.8615567309640926
Energy: 0.9762315205808043
Energy: 0.8615567309636472
Energy: 1.1360095305222881
Energy: 0.9917107271488493
Energy: 1.1360095305222881
Energy: 0.9917107271488493
Energy: 1.136009530520507
Energy: 0.9917107271484039
Energy: 0.8788492509260878
Energy: 0.9116448254771039
Energy: 0.8788492509238615
Energy: 0.911644825477549
Energy: 0.8788492509243067
Energy: 0.9116448254779944
Energy: 1.0353105512283638
Energy: 0.9525612216323509
Energy: 1.0353105512261371
Energy: 0.9525612216319057
Energy: 1.0353105512296996
Energy: 0.9525612216319057
Energy: 0.9586396308901994
Energy: 1.0445701895303752
Energy: 0.9586396308897543
Energy: 1.0445701895303752
Energy: 0.9586396308901994
Energy: 1.0445701895294848
Energy: 0.9965906833632555
Energy: 1.050777967771089
Energy: 0.9965906833637008
Energy: 1.050777967771089
Energy: 0.996590683362365
Energy: 1.0507779677714937
Energy: 0.9222802577586244
Energy: 0.9107488817001013
Energy: 0.9222802577230007
Energy: 0.9107488817005467
Energy: 0.9222802577345783
Energy: 0.9107488816996561
Energy: 0.9738107744336958
Energy: 1.0434385221600042
Energy: 0.9738107744341412
Energy: 1.0434385221595588
Energy: 0.9738107744332507
Energy: 1.0434385221595588
Energy: 0.8913401870601882
Energy: 1.004029014382354
Energy: 0.8913401870566261
Energy: 1.004029014382354
Energy: 0.8913401870575167
Energy: 1.004029014382354
Energy: 0.9878732706172318
Energy: 0.9466335313336014
Energy: 0.9878732706167864
Energy: 0.9466335313331561
Energy: 0.9878732706141147
Energy: 0.9466335313340465
Energy: 0.9821071340996057
Energy: 0.9470690304274859
Energy: 0.9821071340996057
Energy: 0.9470690304274859
Energy: 0.9821071340982698
Energy: 0.9470690304279313
Energy: 0.9890536101808481
Energy: 1.005376860962211
Energy: 0.9890536101799575
Energy: 1.005376860962211
Energy: 0.9890536101777311
Energy: 1.0053768609626563
Energy: 0.929895904425049
Energy: 1.0134709197285179
Energy: 0.9298959044263849
Energy: 1.0134709197285179
Energy: 0.929895904425049
Energy: 1.0134709197280725
Energy: 0.9322324965445715
Energy: 0.8609622455341936
Energy: 0.9322324965414545
Energy: 0.8609622455341936
Energy: 0.9322324965450166
Energy: 0.8609622455341936
Energy: 0.9697786467209852
Energy: 1.0168821681401372
Energy: 0.9697786467209852
Energy: 1.0168821681401372
Energy: 0.9697786467205399
Energy: 1.0168821681392466
Energy: 0.9593765156834008
Energy: 1.0165526741397255
Energy: 0.9593765156811743
Energy: 1.0165526741401707
Energy: 0.9593765156811743
Energy: 1.0165526741397255
Energy: 0.9307355928696306
Energy: 0.9247097535257732
Energy: 0.9307355928678495
Energy: 0.8720928930624696
Energy: 0.9307355928723023
Energy: 0.8839915352956041
Energy: 0.9594052963106601
Energy: 1.0166142216743215
Energy: 0.9594052963088787
Energy: 1.0166142216747667
Energy: 0.9594052963124412
Energy: 1.016614221673876
Energy: 0.9697729335746282
Energy: 1.0168791507326338
Energy: 0.9697729335741831
Energy: 1.0168791507330788
Energy: 0.9697729335732925
Energy: 1.0168791507326338
Energy: 0.9323321920996728
Energy: 0.8607596644765154
Energy: 0.9323321921001182
Energy: 0.86075966447607
Energy: 0.9323321920983368
Energy: 0.86075966447607
Energy: 0.929738596070847
Energy: 1.112010483396755
Energy: 0.9297385960730734
Energy: 1.112010483396755
Energy: 0.9297385960695109
Energy: 1.1120104833972004
Energy: 0.9890322451668208
Energy: 1.0053137107975059
Energy: 0.9890322451672661
Energy: 1.0053137107975059
Energy: 0.9890322451650396
Energy: 1.0053137107975059
Energy: 0.9821455978987965
Energy: 0.9474488818033847
Energy: 0.9821455978992416
Energy: 0.9474488818038298
Energy: 0.9821455978956793
Energy: 0.9474488818038298
Energy: 0.9877236087343282
Energy: 0.9463787564375242
Energy: 0.9877236087352187
Energy: 0.9463787564370788
Energy: 0.9877236087352187
Energy: 0.9463787564370788
Energy: 0.8914955620792071
Energy: 1.00404866344879
Energy: 0.8914955620814337
Energy: 1.00404866344879
Energy: 0.8914955620796523
Energy: 1.00404866344879
Energy: 0.973850304797359
Energy: 1.043443851352478
Energy: 0.9738503047986947
Energy: 1.0434438513529234
Energy: 0.9738503047982495
Energy: 1.0434438513529234
Energy: 0.9684961999101748
Energy: 0.8772208078669644
Energy: 0.9684961999106203
Energy: 0.8772208078674095
Energy: 0.9684961999132918
Energy: 0.8772208078669644
Energy: 0.9962473658132245
Energy: 1.0506517508160687
Energy: 0.9962473658132245
Energy: 1.0506517508156237
Energy: 0.996247365815451
Energy: 1.0506517508160687
Energy: 0.958518557961123
Energy: 1.044136142720767
Energy: 0.9585185579584511
Energy: 1.0441361427203215
Energy: 0.9585185579580059
Energy: 1.044136142720767
Energy: 1.0351560940073665
Energy: 0.9525542470616759
Energy: 1.035156094007812
Energy: 0.9525542470612308
Energy: 1.035156094009593
Energy: 0.9525542470616759
Energy: 0.8789338185097136
Energy: 0.8963520086550936
Energy: 0.8789338185083778
Energy: 0.896352008648414
Energy: 0.8789338185074872
Energy: 0.8963520086488593
Energy: 1.1360789186295683
Energy: 0.9916326883671767
Energy: 1.1360789186291234
Energy: 0.9916326883680672
Energy: 1.1360789186291234
Energy: 0.9916326883680672
Energy: 0.9762358795645342
Energy: 0.8613655306202112
Energy: 0.9762358795649793
Energy: 0.8613655306202112
Energy: 0.9762358795663153
Energy: 0.8613655306206565
Energy: 0.9078086014564388
Energy: 0.9496652705450076
Energy: 0.9078086014555483
Energy: 0.9496652705450076
Energy: 0.9078086014559934
Energy: 0.9496652705450076
Energy: 0.9913791009557471
Energy: 0.9390836692740588
Energy: 0.9913791009553018
Energy: 0.9390836692736134
Energy: 0.9913791009557471
Energy: 0.9390836692731683
Energy: 1.0538205887422762
Energy: 0.9373900965621843
Energy: 1.0538205887422762
Energy: 0.9373900965621843
Energy: 1.0538205887413856
Energy: 0.9373900965617391
Energy: 0.9913283074206527
Energy: 0.9703714678293234
Energy: 0.9913283074206527
Energy: 0.970371467828878
Energy: 0.9913283074228793
Energy: 0.9703714678306591
Energy: 0.9078185539050005
Energy: 0.9492393881541077
Energy: 0.9078185539063364
Energy: 0.9492393881541077
Energy: 0.9078185539081176
Energy: 0.9492393881536624
Energy: 0.9762315205857025
Energy: 0.9056978038877136
Energy: 0.9762315205870384
Energy: 0.9056978038872683
Energy: 0.9762315205870384
Energy: 0.9056978038877136
Energy: 1.136009530520507
Energy: 0.991710727152857
Energy: 1.1360095305200617
Energy: 0.991710727152857
Energy: 1.136009530520507
Energy: 0.9917107271519664

minimum gb energy = 0.86075966447607 eV
minimum distance =  2.23650495334116 Angstroms
sigma value = 57


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

Energy: 1.0499034516036474
Energy: 0.9031500415140675
Energy: 1.0499034516036474
Energy: 0.9031500415140675
Energy: 1.0499034516029222
Energy: 0.9031500415140675
Energy: 0.9482882773367874
Energy: 0.9357089104340494
Energy: 0.9482882773367874
Energy: 0.9357089104340494
Energy: 0.9482882773367874
Energy: 0.9357089104347746
Energy: 0.9242673313442308
Energy: 0.933237934861687
Energy: 0.9242673313442308
Energy: 0.933237934861687
Energy: 0.924267331344956
Energy: 0.933237934861687
Energy: 0.9802956552267802
Energy: 0.8493757551696236
Energy: 0.9802956552275052
Energy: 0.8493757551688986
Energy: 0.9802956552253301
Energy: 0.8493757551688986
Energy: 0.9488225948308022
Energy: 0.9529154955958669
Energy: 0.948822594825793
Energy: 0.9529154955965919
Energy: 0.9488225948286271
Energy: 0.9529154955958669
Energy: 0.8543236215902119
Energy: 0.8715430305980746
Energy: 0.8543236215894868
Energy: 0.8715430305980746
Energy: 0.8543236215894868
Energy: 0.8715430305973496
Energy: 0.9734164053013369
Energy: 0.9110815708671105
Energy: 0.9734164053013369
Energy: 0.9110815708678355
Energy: 0.9734164053006119
Energy: 0.9110815708678355
Energy: 1.0059086828643118
Energy: 0.9587914460716873
Energy: 1.0059086828628616
Energy: 0.9587914460716873
Energy: 1.005908682865762
Energy: 0.9587914460716873
Energy: 0.9035797307516793
Energy: 0.8740513748666664
Energy: 0.9035797307531295
Energy: 0.8740513748688415
Energy: 0.9035797307538544
Energy: 0.8740513748666664
Energy: 0.9344361231770507
Energy: 0.9096336044884885
Energy: 0.9344361231770507
Energy: 0.9096336044884885
Energy: 0.9344361231777758
Energy: 0.9096336044884885
Energy: 0.9812901835218985
Energy: 1.0209259545348475
Energy: 0.9812901835204484
Energy: 1.0209259545348475
Energy: 0.9812901835197233
Energy: 1.0209259545355724
Energy: 0.8443287375460425
Energy: 0.9699082161980442
Energy: 0.8443287375482177
Energy: 0.9699082161980442
Energy: 0.8443287375467675
Energy: 0.9699082161987693
Energy: 0.9321829311460665
Energy: 0.8697388644690021
Energy: 0.9321829311467915
Energy: 0.8697388644697271
Energy: 0.9321829311453415
Energy: 0.8697388644697271
Energy: 0.9719012398864909
Energy: 0.9756650123361379
Energy: 0.9719012398857659
Energy: 0.9756650123361379
Energy: 0.9719012398857659
Energy: 0.9756650123361379
Energy: 0.8937034059490911
Energy: 1.00750760289762
Energy: 0.8937034059490911
Energy: 1.00750760289762
Energy: 0.893703405947641
Energy: 1.00750760289762
Energy: 0.9641854898264
Energy: 0.9536696463781427
Energy: 0.9641854898285751
Energy: 0.9536696463781427
Energy: 0.9641854898285751
Energy: 0.9536696463781427
Energy: 1.0109540645742432
Energy: 0.9735625005899654
Energy: 1.0109540645742432
Energy: 0.9735625005899654
Energy: 1.0109540645742432
Energy: 0.9735625005892402
Energy: 0.9968338711594252
Energy: 1.0102660920283317
Energy: 0.9968338711594252
Energy: 1.0102660920283317
Energy: 0.9968338711594252
Energy: 1.0102660920276068
Energy: 0.9233795511334654
Energy: 1.0103651433895542
Energy: 0.9233795511327402
Energy: 1.0103651433895542
Energy: 0.9233795511341903
Energy: 1.0103651433895542
Energy: 0.9279887225909321
Energy: 0.8595060118250912
Energy: 0.927988722588757
Energy: 0.8595060118250912
Energy: 0.9279887225902071
Energy: 0.8595060118250912
Energy: 0.9749022043515448
Energy: 0.992638414049944
Energy: 0.974902204352995
Energy: 0.9926384140492188
Energy: 0.9749022043522698
Energy: 0.9926384140492188
Energy: 0.9362003297251128
Energy: 1.0129818832920436
Energy: 0.936200329727288
Energy: 1.0129818832913184
Energy: 0.936200329726563
Energy: 1.0129818832920436
Energy: 0.9101401073110292
Energy: 0.8497381911013892
Energy: 0.9101401073117542
Energy: 0.8497381911013892
Energy: 0.9101401073124794
Energy: 0.8497381911013892
Energy: 0.9284100643082697
Energy: 1.0540175156012488
Energy: 0.9284100643104448
Energy: 1.0540175156012488
Energy: 0.9284100643089946
Energy: 1.0540175156012488
Energy: 0.9676075227166289
Energy: 1.0399697663911127
Energy: 0.9676075227173541
Energy: 1.039969766391838
Energy: 0.9676075227166289
Energy: 1.0399697663911127
Energy: 0.8911202191242222
Energy: 0.8482970321975055
Energy: 0.8911202191213222
Energy: 0.8482970321975055
Energy: 0.8911202191249474
Energy: 0.8482970321975055
Energy: 0.8924524002773393
Energy: 1.0120825094271535
Energy: 0.8924524002751641
Energy: 1.0120825094271535
Energy: 0.8924524002758893
Energy: 1.0120825094271535

minimum gb energy = 0.8443287375460425 eV
minimum distance =  2.22622059234076 Angstroms
sigma value = 43


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

Energy: 1.0488048429532102
Energy: 0.9478296380250001
Energy: 1.0488048429526817
Energy: 0.9478296380244718
Energy: 1.0488048429526817
Energy: 0.9478296380250001
Energy: 0.8957164397095233
Energy: 0.907105968923263
Energy: 0.8957164397089951
Energy: 0.907105968923263
Energy: 0.8957164397095233
Energy: 0.9071059689222065
Energy: 0.8739568527826819
Energy: 0.9082734315998063
Energy: 0.8739568527826819
Energy: 0.908273431599278
Energy: 0.8739568527826819
Energy: 0.9082734316003346
Energy: 0.9686618196215661
Energy: 0.8102289553698941
Energy: 0.9686618196215661
Energy: 0.8102289553698941
Energy: 0.9686618196215661
Energy: 0.8102289553698941
Energy: 0.8967962603035837
Energy: 0.9197502236415022
Energy: 0.8967962603025271
Energy: 0.9197502236420304
Energy: 0.8967962603035837
Energy: 0.9197502236415022
Energy: 0.7947002020477666
Energy: 0.8694924260608248
Energy: 0.7947002020472383
Energy: 0.8694924260608248
Energy: 0.7947002020477666
Energy: 0.8694924260608248
Energy: 0.933560268106608
Energy: 0.8439763520656579
Energy: 0.9335602681060797
Energy: 0.843976352066186
Energy: 0.933560268106608
Energy: 0.8439763520656579
Energy: 0.9911621938867153
Energy: 0.9134489663687738
Energy: 0.9911621938877718
Energy: 0.9134489663687738
Energy: 0.9911621938883001
Energy: 0.9134489663687738
Energy: 0.7744265592628713
Energy: 0.8359751530840651
Energy: 0.7744265592639278
Energy: 0.8359751530845935
Energy: 0.7744265592633995
Energy: 0.8359751530830086
Energy: 0.9596024903084013
Energy: 0.8286428706356486
Energy: 0.9596024903089294
Energy: 0.8286428706356486
Energy: 0.9596024903089294
Energy: 0.8286428706351201
Energy: 0.9501482443013305
Energy: 0.9335120264565961
Energy: 0.9501482443013305
Energy: 0.9335120264565961
Energy: 0.9501482443018587
Energy: 0.9335120264565961
Energy: 0.8494833670591356
Energy: 0.8662835532268354
Energy: 0.849483367059664
Energy: 0.8662835532268354
Energy: 0.849483367059664
Energy: 0.8662835532268354
Energy: 0.8920040588150235
Energy: 0.8130046762754012
Energy: 0.8920040588150235
Energy: 0.8130046762754012
Energy: 0.892004058815552
Energy: 0.8130046762748728
Energy: 0.9335699803271782
Energy: 0.9401435912973519
Energy: 0.9335699803266498
Energy: 0.9401435912973519
Energy: 0.9335699803261216
Energy: 0.9401435912973519
Energy: 0.8268457905198183
Energy: 0.9428205901832294
Energy: 0.8268457905208749
Energy: 0.9428205901837576
Energy: 0.8268457905203466
Energy: 0.9428205901832294
Energy: 0.8989877645912338
Energy: 0.7871789595004562
Energy: 0.8989877645928186
Energy: 0.7871789595004562
Energy: 0.8989877645922902
Energy: 0.787178959499928
Energy: 0.9339096321553385
Energy: 0.9369538255877111
Energy: 0.933909632156395
Energy: 0.9369538255882394
Energy: 0.9339096321553385
Energy: 0.9369538255877111
Energy: 0.7878060233461753
Energy: 0.9299930793210338
Energy: 0.7878060233472318
Energy: 0.9299930793210338
Energy: 0.7878060233467035
Energy: 0.9299930793205055
Energy: 0.869942992049628
Energy: 0.8211159287213068
Energy: 0.8699429920480434
Energy: 0.8211159287207784
Energy: 0.8699429920490999
Energy: 0.8211159287213068
Energy: 0.9606655507047602
Energy: 0.8649425231979565
Energy: 0.9606655507037037
Energy: 0.8649425232011261
Energy: 0.9606655507047602
Energy: 0.8649425232064087
Energy: 0.8534468446839919
Energy: 0.9087760021444209
Energy: 0.8534468446834638
Energy: 0.9087760021444209
Energy: 0.8534468446834638
Energy: 0.9087760021444209
Energy: 0.9179568706584186
Energy: 0.8982542419146158
Energy: 0.9179568706589468
Energy: 0.8982542419151441
Energy: 0.9179568706578903
Energy: 0.8982542419151441
Energy: 0.9286477685432387
Energy: 0.9041233255754789
Energy: 0.928647768541654
Energy: 0.9041233255754789
Energy: 0.9286477685421821
Energy: 0.904123325576007
Energy: 0.920833775412574
Energy: 0.9075966478818465
Energy: 0.9208337754136305
Energy: 0.907596647885016
Energy: 0.920833775412574
Energy: 0.9075966478807898
Energy: 0.8767709591008932
Energy: 0.8830553188876019
Energy: 0.876770959100365
Energy: 0.8830553188870738
Energy: 0.8767709591019497
Energy: 0.8830553188870738
Energy: 0.871029075626038
Energy: 0.8180234031602857
Energy: 0.871029075626038
Energy: 0.8180234031597573
Energy: 0.871029075626038
Energy: 0.8180234031597573
Energy: 0.8229850155538115
Energy: 0.9471294807839712
Energy: 0.8111829573222091
Energy: 0.9471294807844998
Energy: 0.8111829573216809
Energy: 0.9471294807844998
Energy: 0.8556578031612675
Energy: 0.8809371313639128
Energy: 0.8556578031596827
Energy: 0.8809371313639128
Energy: 0.8556578031596827
Energy: 0.8809371313639128
Energy: 0.8320242547700055
Energy: 0.7786990141447033
Energy: 0.8320242547715903
Energy: 0.7786990141447033
Energy: 0.8320242547694772
Energy: 0.7786990141447033
Energy: 0.8274907452830211
Energy: 0.9212818597237544
Energy: 0.8274907452840776
Energy: 0.9212818597237544
Energy: 0.8274907452824928
Energy: 0.9212818597237544
Energy: 0.8654560275915263
Energy: 0.9918701618855432
Energy: 0.8519847006817042
Energy: 0.9918701618860715
Energy: 0.8519847006806476
Energy: 0.9918701618855432
Energy: 0.8293527040512694
Energy: 0.7787624422209478
Energy: 0.8293527040507411
Energy: 0.7787624422204195
Energy: 0.8293527040523259
Energy: 0.7787624422209478
Energy: 0.8202167192882561
Energy: 0.9477944234561964
Energy: 0.8202167192871995
Energy: 0.9477944234567246
Energy: 0.8202167192866712
Energy: 0.9477944234561964
Energy: 0.9245690952983926
Energy: 0.9388345208180913
Energy: 0.9245690952989208
Energy: 0.9388345208180913
Energy: 0.9245690952983926
Energy: 0.9388345208180913
Energy: 0.8316428436450569
Energy: 0.8239698187471526
Energy: 0.8316428436429438
Energy: 0.8239698187471526
Energy: 0.8316428436434721
Energy: 0.8239698187471526
Energy: 0.7951911563092653
Energy: 0.8712189584083662
Energy: 0.7951911563103219
Energy: 0.8712189584083662
Energy: 0.795191156308737
Energy: 0.8712189584088944

minimum gb energy = 0.7744265592628713 eV
minimum distance =  2.20174969567185 Angstroms
sigma value = 81


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

Energy: 0.34056811117041036
Energy: 0.4216152239549173
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.34056811117041036
Energy: 0.4216152239549173
Energy: 0.5892120164236478
Energy: 0.21329003535232202
Energy: 0.5892120164236478
Energy: 0.21329003535232202
Energy: 0.5892120164236478
Energy: 0.21329003535620403
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.5987929470644394
Energy: 0.21287203070938787
Energy: 0.5987929470663804
Energy: 0.2128720307074469
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.5892120164255888
Energy: 0.213290035354263
Energy: 0.5892120164236478
Energy: 0.213290035354263
Energy: 0.5892120164255888
Energy: 0.213290035358145
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.5987929470663804
Energy: 0.2128720307074469
Energy: 0.34056811117235136
Energy: 0.42161522395297635
Energy: 0.2121925635479192
Energy: 0.42161522395297635
Energy: 0.34056811117235136
Energy: 0.4216152239510353
Energy: 0.5892120164255888
Energy: 0.21329003535232202
Energy: 0.5892120164236478
Energy: 0.21329003535232202
Energy: 0.5892120164255888
Energy: 0.21329003535620403
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.5987929470663804
Energy: 0.21287203070938787
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.2121925635479192
Energy: 0.4216152239549173
Energy: 0.2121925635479192
Energy: 0.4216152239549173

minimum gb energy = 0.2121925635479192 eV
minimum distance =  2.39692812482545 Angstroms
sigma value = 3


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

Energy: 1.0383409335165825
Energy: 0.8985795888607034
Energy: 1.0383409335160017
Energy: 0.8985795888607034
Energy: 1.0383409335160017
Energy: 0.8985795888612843
Energy: 0.9014312974986374
Energy: 0.8754800343066277
Energy: 0.9014312974980565
Energy: 0.8754800343066277
Energy: 0.9014312974974756
Energy: 0.8754800343060467
Energy: 0.9530301816685834
Energy: 0.8759232291897602
Energy: 0.9530301816685834
Energy: 0.8759232291897602
Energy: 0.9530301816691642
Energy: 0.8759232291891792
Energy: 0.9477022657385652
Energy: 0.8735490353105896
Energy: 0.9477022657379843
Energy: 0.8735490353105896
Energy: 0.9477022657379843
Energy: 0.8735490353100086
Energy: 0.8426277100373387
Energy: 0.8650426082524071
Energy: 0.8426277100379196
Energy: 0.865042608252988
Energy: 0.8426277100373387
Energy: 0.8650426082524071
Energy: 0.9256619383813848
Energy: 0.9250745797322794
Energy: 0.925661938380804
Energy: 0.9250745797322794
Energy: 0.9256619383796423
Energy: 0.9250745797322794
Energy: 0.9190778605564289
Energy: 0.8583937105119522
Energy: 0.9190778605564289
Energy: 0.8583937105113714
Energy: 0.9190778605558481
Energy: 0.8583937105119522
Energy: 0.8255159128297826
Energy: 0.8651892674799221
Energy: 0.8255159128297826
Energy: 0.865189267480503
Energy: 0.8255159128303633
Energy: 0.8651892674822454
Energy: 0.9341894009470791
Energy: 0.9412646664735217
Energy: 0.9341894009459175
Energy: 0.9412646664729407
Energy: 0.9341894009464983
Energy: 0.9412646664735217
Energy: 0.8352214568349741
Energy: 0.8255077406517533
Energy: 0.835221456842525
Energy: 0.8255077406517533
Energy: 0.8352214568314889
Energy: 0.8255077406517533
Energy: 0.8507935827950731
Energy: 0.8645456978375652
Energy: 0.8507935827950731
Energy: 0.8645456978410503
Energy: 0.8507935827939114
Energy: 0.8645456978369843
Energy: 0.9304612667723146
Energy: 0.9605786053949794
Energy: 0.9304612667717337
Energy: 0.9605786053949794
Energy: 0.9304612667728955
Energy: 0.9605786053949794
Energy: 0.9015077258325745
Energy: 0.8277447391426536
Energy: 0.9015077258331554
Energy: 0.8277447391426536
Energy: 0.9015077258337364
Energy: 0.8277447391426536
Energy: 0.8352213055767174
Energy: 0.9363493446532573
Energy: 0.8352213055772982
Energy: 0.9363493446532573
Energy: 0.8352213055767174
Energy: 0.9363493446532573
Energy: 0.9225917533776568
Energy: 0.9648329694170139
Energy: 0.9225917533776568
Energy: 0.9648329694170139
Energy: 0.9225917533776568
Energy: 0.9648329694170139
Energy: 0.876118429220339
Energy: 0.8274669017407008
Energy: 0.8761184292215006
Energy: 0.8274669017407008
Energy: 0.876118429220339
Energy: 0.8274669017407008
Energy: 0.9177974939850805
Energy: 0.9487176507839862
Energy: 0.9177974939844997
Energy: 0.9487176507845672
Energy: 0.9177974939856614
Energy: 0.9487176507845672
Energy: 0.8800401172170658
Energy: 0.938235931885349
Energy: 0.8800401172159039
Energy: 0.938235931885349
Energy: 0.8800401172159039
Energy: 0.938235931885349
Energy: 0.936812918681336
Energy: 0.8867635029183588
Energy: 0.936812918681336
Energy: 0.8867635029183588
Energy: 0.936812918681917
Energy: 0.886763502917778
Energy: 0.906459197675187
Energy: 0.9874371943741278
Energy: 0.906459197675187
Energy: 0.9874371943741278
Energy: 0.906459197675768
Energy: 0.9874371943735469
Energy: 0.9213289277251017
Energy: 0.8949203818412318
Energy: 0.9213289277245208
Energy: 0.8949203818412318
Energy: 0.9213289277251017
Energy: 0.8949203818412318
Energy: 0.9221033532618829
Energy: 0.919453466466067
Energy: 0.9221033532618829
Energy: 0.919453466466067
Energy: 0.9221033532607213
Energy: 0.919453466466067
Energy: 0.8964493699822116
Energy: 0.9857178654664636
Energy: 0.8964493699816307
Energy: 0.9857178654670442
Energy: 0.8964493699816307
Energy: 0.9857178654670442
Energy: 0.9104532223768024
Energy: 0.8627643003328401
Energy: 0.9104532223744789
Energy: 0.8627643003328401
Energy: 0.9104532223762214
Energy: 0.8627643003322593
Energy: 0.9397828746648471
Energy: 0.9497017256911839
Energy: 0.9397828746648471
Energy: 0.9497017256911839
Energy: 0.9397828746660087
Energy: 0.9497017256911839
Energy: 0.8216775185151941
Energy: 0.9408258086718461
Energy: 0.821677518515775
Energy: 0.9408258086718461
Energy: 0.821677518515775
Energy: 0.9408258086718461
Energy: 0.9685343636875685
Energy: 0.8400544450743912
Energy: 0.9685343636875685
Energy: 0.8400544450743912
Energy: 0.9685343636864069
Energy: 0.8400544450743912
Energy: 0.9184401295958734
Energy: 0.938305456813581
Energy: 0.9184401295958734
Energy: 0.9383054568130001
Energy: 0.9184401295941309
Energy: 0.9383054568130001
Energy: 0.7983537297445518
Energy: 0.8648616863362422
Energy: 0.7983537297451326
Energy: 0.8648616863362422
Energy: 0.7983537297439709
Energy: 0.8648616863379848
Energy: 0.9163513259384383
Energy: 0.8767852867812062
Energy: 0.9163513259401808
Energy: 0.8767852867812062
Energy: 0.9163513259384383
Energy: 0.8767852867812062
Energy: 0.9475065769520479
Energy: 0.9145200051914151
Energy: 0.9475065769520479
Energy: 0.9145200051914151
Energy: 0.9475065769526287
Energy: 0.9145200051914151
Energy: 0.8290133406995667
Energy: 0.8789448903588778
Energy: 0.8290133407001475
Energy: 0.8789448903582969
Energy: 0.8290133406995667
Energy: 0.8789448903582969
Energy: 0.9326954299439478
Energy: 0.8981739616042398
Energy: 0.9326954299433671
Energy: 0.8981739616042398
Energy: 0.9326954299433671
Energy: 0.8981739616042398

minimum gb energy = 0.7983537297439709 eV
minimum distance =  2.22555744941441 Angstroms
sigma value = 67


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

Energy: 1.042572255110966
Energy: 0.97399711363094
Energy: 1.042572255110966
Energy: 0.97399711363094
Energy: 1.0425722551093106
Energy: 0.97399711363094
Energy: 0.9537681823946885
Energy: 0.9405907446602869
Energy: 0.9537681823938611
Energy: 0.9405907446602869
Energy: 0.9537681823963438
Energy: 0.9405907446602869
Energy: 1.0163247168942509
Energy: 0.985307188074562
Energy: 1.0163247168950784
Energy: 0.9853071880753894
Energy: 1.0163247168942509
Energy: 0.985307188074562
Energy: 0.997029514839264
Energy: 0.9021655511506949
Energy: 0.997029514839264
Energy: 0.9021655511531026
Energy: 0.9970295148384364
Energy: 0.9021655511506949
Energy: 0.9076484775186817
Energy: 0.8886564557478237
Energy: 0.907648477517854
Energy: 0.888656455746996
Energy: 0.9076484775195094
Energy: 0.888656455746996
Energy: 0.9775957634424719
Energy: 0.9807129065990142
Energy: 0.9775957634424719
Energy: 0.9807129065990142
Energy: 0.9775957634424719
Energy: 0.9807129065990142
Energy: 0.9308112090645612
Energy: 0.9180175987422687
Energy: 0.9308112090703545
Energy: 0.9180175987422687
Energy: 0.9308112090711822
Energy: 0.9180175987422687
Energy: 0.958024831473264
Energy: 0.8893296016526584
Energy: 0.958024831473264
Energy: 0.8893296016559689
Energy: 0.958024831473264
Energy: 0.8893296016526584
Energy: 0.9700415812029617
Energy: 1.0179970021513505
Energy: 0.9700415812021341
Energy: 1.0179970021505227
Energy: 0.9700415812029617
Energy: 1.0179970021513505
Energy: 0.9384922128543405
Energy: 0.9177395458767897
Energy: 0.9384922128526852
Energy: 0.9177395458767897
Energy: 0.9384922128543405
Energy: 0.9177395458776174
Energy: 0.9566487264921744
Energy: 0.9753532989115185
Energy: 0.9566487264930019
Energy: 0.9753532989115185
Energy: 0.9566487264913467
Energy: 0.9753532989115185
Energy: 0.9120009110270486
Energy: 0.9881870189907788
Energy: 0.9120009110278762
Energy: 0.9881870189907788
Energy: 0.9120009110278762
Energy: 0.9881870189924341
Energy: 0.9571932818265114
Energy: 0.9402432751294897
Energy: 0.9571932818256839
Energy: 0.9402432751294897
Energy: 0.9571932818281669
Energy: 0.940243275128662
Energy: 0.9404952621238352
Energy: 0.9920604769794571
Energy: 0.9404952621238352
Energy: 0.9920604769794571
Energy: 0.9404952621238352
Energy: 0.9920604769794571
Energy: 0.9312305523090788
Energy: 0.9274808621221815
Energy: 0.9312305523074236
Energy: 0.9274808621221815
Energy: 0.9312305523082512
Energy: 0.9274808621221815
Energy: 1.01421801647376
Energy: 0.9766611994175507
Energy: 1.01421801647376
Energy: 0.9766611994183781
Energy: 1.0142180164745875
Energy: 0.9766611994183781
Energy: 0.9389563151100014
Energy: 0.9893226926741537
Energy: 0.9389563151091738
Energy: 0.9893226926749813
Energy: 0.9389563151116567
Energy: 0.9893226926741537
Energy: 0.9711318471651745
Energy: 0.9005332211187254
Energy: 0.9711318471651745
Energy: 0.9005332211187254
Energy: 0.9711318471643466
Energy: 0.9005332211187254
Energy: 0.9686658949341486
Energy: 1.0169227575851711
Energy: 0.9686658949341486
Energy: 1.0169227575859987
Energy: 0.9686658949333209
Energy: 1.0169227575859987
Energy: 0.9021258301171323
Energy: 0.9567959880461112
Energy: 0.9021258301171323
Energy: 0.9567959880477667
Energy: 0.9021258301171323
Energy: 0.9567959880469389
Energy: 1.0742637338265149
Energy: 0.9057090180529694
Energy: 1.0742637338273424
Energy: 0.9057090180545496
Energy: 1.0742637338281702
Energy: 0.9057090180529694
Energy: 1.0474658808136081
Energy: 1.024856747118767
Energy: 1.0474658808136081
Energy: 1.024856747118767
Energy: 1.047465880814436
Energy: 1.0248567471179397
Energy: 0.8889403587615947
Energy: 1.0132614173587242
Energy: 0.8889403587615947
Energy: 1.0132614173587242
Energy: 0.888940358760767
Energy: 1.0132614173587242

minimum gb energy = 0.888656455746996 eV
minimum distance =  2.21210974656555 Angstroms
sigma value = 33


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

Energy: 1.0464995560284676
Energy: 0.9340672718728118
Energy: 1.0464995560284676
Energy: 0.9340672718733368
Energy: 1.0464995560279422
Energy: 0.9340672718733368
Energy: 0.9430399382111289
Energy: 0.9547047350789116
Energy: 0.9430399382111289
Energy: 0.9547047350789116
Energy: 0.943039938210604
Energy: 0.9547047350789116
Energy: 1.0441415130346685
Energy: 0.9809608081793205
Energy: 1.0441415130330933
Energy: 0.9809608081787955
Energy: 1.0441415130346685
Energy: 0.9809608081793205
Energy: 1.0134479456476158
Energy: 0.9227972856129422
Energy: 1.0134479456476158
Energy: 0.9227972856129422
Energy: 1.0134479456476158
Energy: 0.9227972856124171
Energy: 0.9699843891622882
Energy: 0.935989098825918
Energy: 0.9699843891617633
Energy: 0.9359890988217174
Energy: 0.9699843891607132
Energy: 0.9359890988253928
Energy: 1.108632344073586
Energy: 1.0283495543400976
Energy: 1.108632344072011
Energy: 1.0283495543400976
Energy: 1.1086323440730608
Energy: 1.0283495543400976
Energy: 0.9301976056394886
Energy: 0.9553465822153544
Energy: 0.9301976056389635
Energy: 0.9553465822153544
Energy: 0.9301976056384385
Energy: 0.9553465822153544
Energy: 0.9667569271673365
Energy: 1.0029270880721375
Energy: 0.9667569271678617
Energy: 1.0029270880726626
Energy: 0.9667569271657614
Energy: 1.0029270880726626
Energy: 0.9415007945372946
Energy: 1.0238188710937124
Energy: 0.9415007945372946
Energy: 1.0238188710921372
Energy: 0.9415007945362445
Energy: 1.0238188710921372
Energy: 1.0787371386044349
Energy: 1.0103990207299032
Energy: 1.0787371386044349
Energy: 1.0103990207299032
Energy: 1.0787371386044349
Energy: 1.0103990207299032
Energy: 0.9683382758244503
Energy: 0.9885685656952761
Energy: 0.9683382758260254
Energy: 0.9885685656947512
Energy: 0.9683382758260254
Energy: 0.9885685656947512
Energy: 0.9440452566890778
Energy: 0.9613159751295901
Energy: 0.9440452566885527
Energy: 0.9613159751295901
Energy: 0.9440452566885527
Energy: 0.9613159751290652
Energy: 1.047358153133834
Energy: 0.9610033742717493
Energy: 1.047358153134359
Energy: 0.9610033742717493
Energy: 1.047358153134884
Energy: 0.9610033742717493
Energy: 0.9635565344628588
Energy: 0.9836030872889622
Energy: 0.9635565344623338
Energy: 0.9836030872889622
Energy: 0.9635565344628588
Energy: 0.9836030872894873
Energy: 0.9875358268046731
Energy: 0.9515539853420677
Energy: 0.9875358268057233
Energy: 0.9515539853420677
Energy: 0.9875358268051982
Energy: 0.9515539853420677
Energy: 1.0135893143645458
Energy: 1.0280631127615985
Energy: 1.0135893143645458
Energy: 1.0280631127615985
Energy: 1.0135893143634958
Energy: 1.0280631127615985
Energy: 0.959004396261339
Energy: 1.010338451658478
Energy: 0.959004396261339
Energy: 1.010338451658478
Energy: 0.9590043962623892
Energy: 1.010338451658478
Energy: 1.0635403773448306
Energy: 1.0002638297875426
Energy: 1.0635403773437806
Energy: 1.0002638297875426
Energy: 1.0635403773432557
Energy: 1.0002638297875426
Energy: 0.930790188249166
Energy: 1.0273256802408552
Energy: 0.9307901882486409
Energy: 1.0273256802398052
Energy: 0.9307901882486409
Energy: 1.02732568024033
Energy: 0.9673825042817947
Energy: 0.9368379554268607
Energy: 0.9673825042817947
Energy: 0.9368379554331611
Energy: 0.9673825042807446
Energy: 0.936837955457838
Energy: 1.0118137236975224
Energy: 1.0046513917572109
Energy: 1.0118137236990976
Energy: 1.0046513917572109
Energy: 1.0118137236990976
Energy: 1.0046513917572109
Energy: 0.9865959920189706
Energy: 0.926827967253183
Energy: 0.9865959920189706
Energy: 0.9268279672542331
Energy: 0.9865959920184456
Energy: 0.926827967254758
Energy: 0.9731233971186117
Energy: 0.9876381925075938
Energy: 0.9731233971186117
Energy: 0.9876381925075938
Energy: 0.9731233971191369
Energy: 0.9876381925075938
Energy: 1.050578142730519
Energy: 0.960325207474899
Energy: 1.050578142729469
Energy: 0.960325207474899
Energy: 1.050578142731569
Energy: 0.960325207474899
Energy: 0.9391602966460985
Energy: 0.9602903405109746
Energy: 0.9391602966466237
Energy: 0.9602903405104496
Energy: 0.9391602966460985
Energy: 0.9602903405104496
Energy: 0.977597169800719
Energy: 0.9905865981844191
Energy: 0.9775971697991438
Energy: 0.9905865981844191
Energy: 0.977597169799669
Energy: 0.9905865981844191
Energy: 0.9296527544602036
Energy: 0.9712495795550788
Energy: 0.9296527544602036
Energy: 0.9712495795556038
Energy: 0.9296527544607287
Energy: 0.9712495795556038
Energy: 1.0115746823098526
Energy: 1.101613308770563
Energy: 1.0115746823103775
Energy: 1.1016133087700382
Energy: 1.0115746823103775
Energy: 1.101613308770563
Energy: 0.9717574153506148
Energy: 0.9365211461026882
Energy: 0.9717574153511398
Energy: 0.9365211461792964
Energy: 0.9717574153495647
Energy: 0.9365211462779566
Energy: 0.9296032166707567
Energy: 0.9557486921575906
Energy: 0.9296032166733819
Energy: 0.9557486921560154
Energy: 0.9296032166712818
Energy: 0.9557486921565406
Energy: 1.104657979193439
Energy: 1.005039314728676
Energy: 1.104657979192914
Energy: 1.0050393147281511
Energy: 1.104657979192389
Energy: 1.005039314728676
Energy: 0.968244558452667
Energy: 0.9367172201583196
Energy: 0.968244558453192
Energy: 0.9367172201478188
Energy: 0.9682445584521419
Energy: 0.9367172201562195
Energy: 1.0133007589754977
Energy: 1.010479638268908
Energy: 1.0133007589760228
Energy: 1.0104796382694332
Energy: 1.0133007589770728
Energy: 1.010479638268908
Energy: 0.9898391384717287
Energy: 0.9545063346203477
Energy: 0.9898391384717287
Energy: 0.9545063346198228
Energy: 0.9898391384712037
Energy: 0.9545063346198228
Energy: 0.9603896956842678
Energy: 0.9810717680730728
Energy: 0.9603896956842678
Energy: 0.9810717680730728
Energy: 0.9603896956858429
Energy: 0.981071768073598
Energy: 1.0444983960197094
Energy: 0.9375954025138077
Energy: 1.0444983960197094
Energy: 0.9375954025143326
Energy: 1.0444983960191845
Energy: 0.9375954025143326
Energy: 0.9394854801899247
Energy: 0.9566064017063352
Energy: 0.9394854801899247
Energy: 0.9566064017068602
Energy: 0.9394854801899247
Energy: 0.9566064017068602

minimum gb energy = 0.9227972856124171 eV
minimum distance =  2.22463911136617 Angstroms
sigma value = 41


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

Energy: 1.0098343453674041
Energy: 0.9869515899585688
Energy: 1.0098343453688376
Energy: 0.9869515899585688
Energy: 1.0098343453688376
Energy: 0.9869515899585688
Energy: 0.9958375751522895
Energy: 0.9832497553824163
Energy: 0.9958375751537228
Energy: 0.9832497553824163
Energy: 0.9958375751522895
Energy: 0.9832497553824163
Energy: 1.1065998934241292
Energy: 0.9679664376750249
Energy: 1.1065998934226955
Energy: 0.9679664376764584
Energy: 1.1065998934226955
Energy: 0.9679664376750249
Energy: 1.0528128035953142
Energy: 1.0567069854730182
Energy: 1.0528128035953142
Energy: 1.0567069854730182
Energy: 1.0528128035953142
Energy: 1.0567069854730182
Energy: 1.0854282830103268
Energy: 0.9595429092184411
Energy: 1.0854282830103268
Energy: 0.9595429092184411
Energy: 1.0854282830103268
Energy: 0.9595429092184411
Energy: 1.0883414456095457
Energy: 1.0307732438261032
Energy: 1.0883414456109795
Energy: 1.0307732438246697
Energy: 1.0883414456095457
Energy: 1.0307732438160686
Energy: 1.044967472182782
Energy: 0.9483481771100176
Energy: 1.0449674721813484
Energy: 0.9483481771100176
Energy: 1.044967472182782
Energy: 0.948348177108584
Energy: 1.0426169627927677
Energy: 0.9678812409570452
Energy: 1.0426169627927677
Energy: 0.9678812409570452
Energy: 1.042616962794201
Energy: 0.9678812409570452
Energy: 0.999183085812727
Energy: 0.9515382176325169
Energy: 0.999183085812727
Energy: 0.9515382176325169
Energy: 0.999183085812727
Energy: 0.9515382176325169
Energy: 1.0170776050271277
Energy: 0.9989325760301953
Energy: 1.0170776050271277
Energy: 0.9989325760301953
Energy: 1.0170776050271277
Energy: 0.9989325760301953
Energy: 0.9978953056951969
Energy: 0.9675554261219944
Energy: 0.9978953056951969
Energy: 0.9675554261219944
Energy: 0.9978953056951969
Energy: 0.9675554261219944
Energy: 1.0561867873190496
Energy: 0.9812362933287726
Energy: 1.0561867873190496
Energy: 0.9812362933287726
Energy: 1.0561867873190496
Energy: 0.9812362933287726
Energy: 1.0904748874042762
Energy: 1.0640788803422196
Energy: 1.0904748874028425
Energy: 1.0640788803422196
Energy: 1.0904748874042762
Energy: 1.064078880343653
Energy: 1.0839444853764062
Energy: 1.006838204716431
Energy: 1.0839444853764062
Energy: 1.006838204716431
Energy: 1.0839444853764062
Energy: 1.006838204716431

minimum gb energy = 0.948348177108584 eV
minimum distance =  2.2032449256287 Angstroms
sigma value = 11


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

Energy: 1.1285971377062345
Energy: 1.120711709051144
Energy: 1.1285971377062345
Energy: 1.120711709051144
Energy: 1.1285971377062345
Energy: 1.120711709051144
Energy: 1.0635682892629832
Energy: 1.0720578245851198
Energy: 1.063568289263613
Energy: 1.0720578245857495
Energy: 1.0635682892623535
Energy: 1.0720578245857495
Energy: 1.1067510956553648
Energy: 1.0320259236023286
Energy: 1.1445666180791638
Energy: 1.032025923603588
Energy: 1.1067510956559943
Energy: 1.0320259236004392
Energy: 1.0908106049167157
Energy: 1.072062938571468
Energy: 1.090810604916086
Energy: 1.072062938571468
Energy: 1.090810604916086
Energy: 1.072062938570838
Energy: 1.1271989302039225
Energy: 1.0407793384590482
Energy: 1.127198930202663
Energy: 1.0407793384590482
Energy: 1.1271989302039225
Energy: 1.0407793384596782
Energy: 1.0596863811236323
Energy: 1.1511462941764126
Energy: 1.0596863811236323
Energy: 1.1511462941757826
Energy: 1.0596863811236323
Energy: 1.1511462941764126
Energy: 1.0613211412896115
Energy: 1.0761825267054137
Energy: 1.0613211412902412
Energy: 1.0761825267054137
Energy: 1.0613211412902412
Energy: 1.0761825267054137
Energy: 1.0791918463224646
Energy: 1.0890111860247413
Energy: 1.0791918463218346
Energy: 1.0890111860241116
Energy: 1.0791918463224646
Energy: 1.0890111860247413
Energy: 1.0968905991272972
Energy: 1.0639101087472134
Energy: 1.096890599127927
Energy: 1.0639101087472134
Energy: 1.096890599127927
Energy: 1.0639101087465836
Energy: 1.0396566534611638
Energy: 1.1023302284580385
Energy: 1.0396566534605338
Energy: 1.1023302284580385
Energy: 1.0396566534605338
Energy: 1.1023302284580385
Energy: 1.062004145466409
Energy: 1.0799416233225536
Energy: 1.062004145466409
Energy: 1.0799416233219237
Energy: 1.062004145466409
Energy: 1.0799416233225536
Energy: 1.079153444149028
Energy: 1.1232262164091698
Energy: 1.079153444149028
Energy: 1.1232262164091698
Energy: 1.079153444149658
Energy: 1.1232262164091698
Energy: 1.0869318885710897
Energy: 1.1139623415395756
Energy: 1.0869318885710897
Energy: 1.1139623415402053
Energy: 1.08693188857046
Energy: 1.1139623415395756
Energy: 1.056635331342603
Energy: 1.082270123896021
Energy: 1.056635331342603
Energy: 1.0822701238953913
Energy: 1.056635331342603
Energy: 1.082270123896021
Energy: 1.0952694226673134
Energy: 1.080815538680323
Energy: 1.0671049738018468
Energy: 1.080815538680323
Energy: 1.0671049738018468
Energy: 1.080815538680323
Energy: 1.0593811091449283
Energy: 1.0757719276802706
Energy: 1.0593811091449283
Energy: 1.0757719276796407
Energy: 1.059381109143669
Energy: 1.0757719276796407
Energy: 1.0454847491892814
Energy: 1.0619203314602181
Energy: 1.045484749189911
Energy: 1.0619203314602181
Energy: 1.0454847491892814
Energy: 1.0619203314595884
Energy: 1.0853094781167065
Energy: 1.086110153282864
Energy: 1.0853094781160768
Energy: 1.0861101532822344
Energy: 1.0853094781160768
Energy: 1.0861101532822344
Energy: 1.0385980765269727
Energy: 1.04685054364404
Energy: 1.0385980765276026
Energy: 1.0468505436446698
Energy: 1.0385980765276026
Energy: 1.04685054364404
Energy: 1.0988699188414053
Energy: 1.0307735125380442
Energy: 1.098869918842035
Energy: 1.0307735125380442
Energy: 1.098869918842035
Energy: 1.0307735125380442
Energy: 1.07254313675273
Energy: 1.067779715687996
Energy: 1.0725431367539895
Energy: 1.0677797156886255
Energy: 1.0725431367533598
Energy: 1.067779715687996
Energy: 1.131481847017105
Energy: 1.1259635383294777
Energy: 1.131481847017105
Energy: 1.1259635383294777
Energy: 1.131481847017105
Energy: 1.1259635383294777
Energy: 1.1070808468316538
Energy: 1.037820307154972
Energy: 1.1070808468316538
Energy: 1.0378203071562313
Energy: 1.107080846831024
Energy: 1.0378203071562313
Energy: 1.1392410069747276
Energy: 1.0717117551983366
Energy: 1.1392410069747276
Energy: 1.0717117551989666
Energy: 1.1392410069740977
Energy: 1.0717117551983366
Energy: 1.050901147949117
Energy: 1.102348065667744
Energy: 1.0509011479484873
Energy: 1.102348065667744
Energy: 1.050901147949117
Energy: 1.102348065667744
Energy: 1.0802628896629005
Energy: 1.0621290822746339
Energy: 1.0802628896629005
Energy: 1.0621290822752636
Energy: 1.0802628896622708
Energy: 1.0621290822746339
Energy: 1.039598478314894
Energy: 1.110483458896163
Energy: 1.0395984783142642
Energy: 1.1104834588955332
Energy: 1.0395984783155237
Energy: 1.110483458896163
Energy: 1.0587933158013123
Energy: 1.0693446117190162
Energy: 1.0587933157994232
Energy: 1.0693446117190162
Energy: 1.0587933158013123
Energy: 1.0693446117190162
Energy: 1.0592461528182289
Energy: 1.0825449382404009
Energy: 1.0592461528182289
Energy: 1.0825449382404009
Energy: 1.059246152817599
Energy: 1.0825449382404009
Energy: 1.0664466640438166
Energy: 1.0723941198214402
Energy: 1.066446664042557
Energy: 1.0723941198214402
Energy: 1.0664466640438166
Energy: 1.0723941198214402
Energy: 1.041693311985914
Energy: 1.127550075839559
Energy: 1.041693311985914
Energy: 1.127550075839559
Energy: 1.0416933119852843
Energy: 1.127550075839559

minimum gb energy = 1.0307735125380442 eV
minimum distance =  2.18093880494869 Angstroms
sigma value = 57


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

Energy: 0.9176563883239707
Energy: 1.0033141913950363
Energy: 0.9176563883250912
Energy: 1.0033141913950363
Energy: 0.9176563883250912
Energy: 1.0033141913950363
Energy: 1.0022130432202672
Energy: 0.9558583769493814
Energy: 1.0022130432191465
Energy: 0.9558583769493814
Energy: 1.0022130432202672
Energy: 0.9558583769493814
Energy: 1.0173350069132927
Energy: 0.95877125954407
Energy: 1.0173350069132927
Energy: 0.9587712595451907
Energy: 1.017335006912172
Energy: 0.95877125954407
Energy: 0.9555434113091464
Energy: 1.235408002453909
Energy: 0.955543411310267
Energy: 1.0928593193685983
Energy: 0.9555434113091464
Energy: 1.0928593193685983
Energy: 1.0172718604371465
Energy: 0.958837657840321
Energy: 1.0172718604360258
Energy: 0.958837657840321
Energy: 1.0172718604360258
Energy: 0.958837657840321
Energy: 1.0024212820550007
Energy: 1.0613724297603149
Energy: 1.0024212820550007
Energy: 0.9579869804379768
Energy: 1.0024212820550007
Energy: 0.9579869804379768
Energy: 0.9176563883273325
Energy: 1.003314191398398
Energy: 0.9176563883273325
Energy: 1.003314191398398
Energy: 0.9176563883273325
Energy: 1.003314191398398
Energy: 1.002213043214664
Energy: 0.95585837694714
Energy: 1.002213043214664
Energy: 0.95585837694714
Energy: 1.002213043214664
Energy: 0.95585837694714
Energy: 1.017335006912172
Energy: 0.9587712595496731
Energy: 1.0173350069132927
Energy: 0.9587712595485526
Energy: 1.017335006912172
Energy: 0.9587712595485526
Energy: 0.9555434113158703
Energy: 1.2648705618164082
Energy: 0.9555434113147496
Energy: 1.1443706786376795
Energy: 0.9555434113147496
Energy: 1.1443706786388002
Energy: 1.017271860432664
Energy: 0.9588376578392004
Energy: 1.017271860432664
Energy: 0.9588376578380795
Energy: 1.017271860432664
Energy: 0.9588376578380795
Energy: 1.002421282057242
Energy: 1.1291149545501156
Energy: 1.0024212820583627
Energy: 0.9579869804390974
Energy: 1.0024212820583627
Energy: 0.9579869804390974
Energy: 0.9176563883239707
Energy: 1.0033141913950363
Energy: 0.9176563883250912
Energy: 1.0033141913950363
Energy: 0.9176563883239707
Energy: 1.0033141913950363
Energy: 1.0022130432202672
Energy: 0.9558583769493814
Energy: 1.0022130432202672
Energy: 0.9558583769493814
Energy: 1.0022130432202672
Energy: 0.9558583769493814
Energy: 1.0173350069132927
Energy: 0.9587712595451907
Energy: 1.0173350069132927
Energy: 0.9587712595451907
Energy: 1.0173350069132927
Energy: 0.9587712595451907
Energy: 0.955543411310267
Energy: 1.1443706786365588
Energy: 0.9555434113091464
Energy: 1.1443706786365588
Energy: 0.9555434113091464
Energy: 1.1443706786365588
Energy: 1.0172718604360258
Energy: 0.958837657840321
Energy: 1.0172718604360258
Energy: 0.958837657840321
Energy: 1.0172718604360258
Energy: 0.958837657840321

minimum gb energy = 0.9176563883239707 eV
minimum distance =  2.24688731463731 Angstroms
sigma value = 9


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

Energy: 1.0924013635928593
Energy: 1.1576889388972071
Energy: 1.0924013635937744
Energy: 1.1576889388972071
Energy: 1.0924013635937744
Energy: 1.1576889388972071
Energy: 1.1042364243850857
Energy: 1.0731924028528017
Energy: 1.1042364243841707
Energy: 1.0731924028537165
Energy: 1.1042364243850857
Energy: 1.0731924028518867
Energy: 1.126027409807159
Energy: 1.0452387140289547
Energy: 1.131799421029938
Energy: 1.0452387140289547
Energy: 1.131799421029938
Energy: 1.0452387140289547
Energy: 1.0213881321031832
Energy: 1.1538226205540878
Energy: 1.0213881321022682
Energy: 1.1538226205540878
Energy: 1.0213881321031832
Energy: 1.1538226205550028
Energy: 1.0462466114649493
Energy: 1.041036789479226
Energy: 1.0462466114649493
Energy: 1.041036789483801
Energy: 1.0462466114649493
Energy: 1.041036789479226
Energy: 1.092412788560014
Energy: 1.0319532761832027
Energy: 1.092412788560014
Energy: 1.0319532761832027
Energy: 1.092412788560014
Energy: 1.0319532761841177
Energy: 1.0106391887501176
Energy: 1.1271767052683959
Energy: 1.0106391887501176
Energy: 1.1271767052683959
Energy: 1.0106391887501176
Energy: 1.1271767052683959
Energy: 1.0044173275202934
Energy: 1.1146631170903842
Energy: 1.0044173275239534
Energy: 1.114663117083979
Energy: 1.0044173275221235
Energy: 1.1146631170977042
Energy: 1.1893683080383324
Energy: 1.0739842063022198
Energy: 1.1893683080383324
Energy: 1.0739842063013048
Energy: 1.1893683080365025
Energy: 1.0739842063022198
Energy: 1.0078276638344323
Energy: 1.096223658047888
Energy: 1.0078276638326022
Energy: 1.096223658047888
Energy: 1.0078276638344323
Energy: 1.0962236580469729
Energy: 1.1079730626508622
Energy: 1.099699424440219
Energy: 1.1079730626499473
Energy: 1.099699424440219
Energy: 1.1079730626499473
Energy: 1.099699424440219
Energy: 1.1313878773088184
Energy: 1.033327168454512
Energy: 1.1313878773088184
Energy: 1.033327168453597
Energy: 1.1313878773097337
Energy: 1.033327168453597
Energy: 1.0213465602791854
Energy: 1.1778115550928854
Energy: 1.0213465602810154
Energy: 1.1778115550919703
Energy: 1.0213465602791854
Energy: 1.1778115550928854
Energy: 1.103122022789939
Energy: 1.111420953436741
Energy: 1.103122022789939
Energy: 1.111420953437656
Energy: 1.103122022789939
Energy: 1.111420953437656
Energy: 1.14155192914853
Energy: 1.0503067296536368
Energy: 1.1415519291476153
Energy: 1.0503067296527218
Energy: 1.1415519291467002
Energy: 1.0503067296536368
Energy: 1.1015420994059897
Energy: 1.1306095908902303
Energy: 1.1015420994059897
Energy: 1.1306095908911453
Energy: 1.1015420994059897
Energy: 1.1306095908902303
Energy: 1.1019793382395295
Energy: 1.1292925627902972
Energy: 1.1019793382376997
Energy: 1.1292925627893822
Energy: 1.1019793382386147
Energy: 1.1292925627902972
Energy: 1.1714818713283408
Energy: 1.048275496256846
Energy: 1.1714818713274258
Energy: 1.0482754962559309
Energy: 1.1714818713283408
Energy: 1.0482754962559309
Energy: 1.0288514666739934
Energy: 1.108959322414932
Energy: 1.0288514666739934
Energy: 1.1089593224158472
Energy: 1.0288514666721635
Energy: 1.1089593224158472
Energy: 1.0690380259502201
Energy: 1.1135820275242638
Energy: 1.069038025949305
Energy: 1.1135820275251789
Energy: 1.0690380259502201
Energy: 1.1135820275242638
Energy: 1.133477693155048
Energy: 1.0329579766436032
Energy: 1.133477693155048
Energy: 1.0329579766436032
Energy: 1.133477693155048
Energy: 1.0329579766436032

minimum gb energy = 1.0044173275202934 eV
minimum distance =  2.233409525383 Angstroms
sigma value = 27


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

Energy: 1.1571926811058517
Energy: 1.168442529930057
Energy: 1.1571926811073945
Energy: 1.168442529930057
Energy: 1.1571926811058517
Energy: 1.168442529930057
Energy: 1.091542767277286
Energy: 1.022370352971073
Energy: 1.0915427672780573
Energy: 1.022370352971073
Energy: 1.091542767277286
Energy: 1.022370352971073
Energy: 1.0633210567830982
Energy: 0.9839978175446097
Energy: 1.0633210567838696
Energy: 0.9839978175446097
Energy: 1.0633210567838696
Energy: 0.9839978175446097
Energy: 0.9952642303438693
Energy: 1.0281134093501698
Energy: 0.9952642303446406
Energy: 1.0281134093509408
Energy: 0.9952642303369279
Energy: 1.0281134093501698
Energy: 0.9978185031983235
Energy: 1.0494266309027633
Energy: 0.997818503199866
Energy: 1.049426630901221
Energy: 0.9978185031921534
Energy: 1.0494266309019922
Energy: 1.1090534172042474
Energy: 1.1250594800032168
Energy: 1.1090534172034763
Energy: 1.1250594800070732
Energy: 1.1090534172042474
Energy: 1.1250594800032168
Energy: 0.9993966710589317
Energy: 1.0728941670104688
Energy: 0.9993966710573892
Energy: 1.0728941670096974
Energy: 0.9993966710581604
Energy: 1.0728941670089265
Energy: 1.042731561122498
Energy: 1.060074172021376
Energy: 1.042731561122498
Energy: 1.0600741720221474
Energy: 1.042731561122498
Energy: 1.0600741720221474
Energy: 1.0288706777968022
Energy: 0.9967803199042908
Energy: 1.0288706777960308
Energy: 0.9967803199042908
Energy: 1.0288706777968022
Energy: 0.9967803199050621
Energy: 1.1377633292424494
Energy: 1.0800032943634241
Energy: 1.1377633292501623
Energy: 1.0800032943634241
Energy: 1.137763329239364
Energy: 1.0800032943634241
Energy: 1.1393782920856366
Energy: 1.0497502958727765
Energy: 1.1393782920879503
Energy: 1.0497502958712341
Energy: 1.1393782920794664
Energy: 1.0497502958696916
Energy: 1.072181166486947
Energy: 0.9939889551040875
Energy: 1.072181166487718
Energy: 0.9939889551048587
Energy: 1.072181166487718
Energy: 0.99398895510563
Energy: 1.03641685643443
Energy: 1.0287245294075065
Energy: 1.0364168564328875
Energy: 1.0287245294082779
Energy: 1.0364168564336589
Energy: 1.0287245294075065
Energy: 0.9953165516390516
Energy: 1.029579034885077
Energy: 0.9953165516382805
Energy: 1.029579034885077
Energy: 0.9953165516390516
Energy: 1.029579034885077
Energy: 1.111831021390121
Energy: 1.127683640956305
Energy: 1.1118310213893494
Energy: 1.127683640956305
Energy: 1.1118310213916633
Energy: 1.127683640956305
Energy: 1.0225914488189911
Energy: 1.104320089176741
Energy: 1.0225914488189911
Energy: 1.104320089179826
Energy: 1.0225914488197623
Energy: 1.1043200891782834
Energy: 0.9915785967288632
Energy: 1.0607536122948367
Energy: 0.9915785967280919
Energy: 1.0607536122948367
Energy: 0.9915785967296344
Energy: 1.0607536122948367
Energy: 1.0291210635135053
Energy: 0.9899238609310705
Energy: 1.0291210635150478
Energy: 0.9899238609326131
Energy: 1.0291210635135053
Energy: 0.9899238609326131
Energy: 0.948923985117705
Energy: 0.9995436370332677
Energy: 0.948923985117705
Energy: 0.999543637034039
Energy: 0.948923985117705
Energy: 0.999543637034039
Energy: 1.1571926811104796
Energy: 1.1684425299262005
Energy: 1.1571926811104796
Energy: 1.168442529925429
Energy: 1.1571926811104796
Energy: 1.1684425299262005
Energy: 1.0915427672849987
Energy: 1.022370352974158
Energy: 1.0915427672849987
Energy: 1.022370352974158
Energy: 1.0915427672834563
Energy: 1.022370352974158
Energy: 1.0633210567776994
Energy: 0.983997817542296
Energy: 1.063321056776928
Energy: 0.9839978175415246
Energy: 1.063321056776928
Energy: 0.983997817542296
Energy: 0.9952642303461832
Energy: 1.028113409353255
Energy: 0.9952642303430982
Energy: 1.028113409353255
Energy: 0.9952642303461832
Energy: 1.028113409353255
Energy: 0.997818503191382
Energy: 1.0494266309120188
Energy: 0.9978185031952386
Energy: 1.0494266309112477
Energy: 0.9978185031975523
Energy: 1.0494266309120188
Energy: 1.1090534172096467
Energy: 1.1250594800109297
Energy: 1.109053417211189
Energy: 1.1250594800063018
Energy: 1.109053417211189
Energy: 1.1250594800101583

minimum gb energy = 0.948923985117705 eV
minimum distance =  2.22942685949581 Angstroms
sigma value = 19


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

Energy: 1.0484898782591405
Energy: 1.196884574324229
Energy: 1.0484898782591405
Energy: 1.196884574324229
Energy: 1.0484898782598064
Energy: 1.196884574324229
Energy: 1.103510616393941
Energy: 1.0043240995817215
Energy: 1.1035106163932749
Energy: 1.0043240995810556
Energy: 1.1035106163932749
Energy: 1.00432409958039
Energy: 1.1720754199438408
Energy: 0.9577707461992517
Energy: 1.1720754199438408
Energy: 0.9577707461985858
Energy: 1.1720754199438408
Energy: 0.9577707461992517
Energy: 0.966789490997703
Energy: 1.127400365167085
Energy: 0.966789490997703
Energy: 1.1274003651677507
Energy: 0.9667894909983685
Energy: 1.127400365167085
Energy: 0.9845724645438564
Energy: 1.0396786017026196
Energy: 0.9845724645445222
Energy: 1.0396786017119402
Energy: 0.9845724645438564
Energy: 1.0396786016979591
Energy: 1.1254153620239105
Energy: 0.9937063072780384
Energy: 1.1254153620239105
Energy: 0.9937063072780384
Energy: 1.1254153620239105
Energy: 0.9937063072780384
Energy: 0.9526556476395147
Energy: 1.0395175364548688
Energy: 0.9526556476395147
Energy: 1.0395175364562006
Energy: 0.9526556476395147
Energy: 1.0395175364562006
Energy: 1.0099966371066744
Energy: 1.085311276301388
Energy: 1.0099966371066744
Energy: 1.085311276301388
Energy: 1.0099966371080058
Energy: 1.0853112762993906
Energy: 1.0974912054164068
Energy: 0.9428784807430769
Energy: 1.0974912054164068
Energy: 0.9428784807430769
Energy: 1.0974912054164068
Energy: 0.9428784807430769
Energy: 1.008563289072108
Energy: 1.0647611677076694
Energy: 1.0085632890727736
Energy: 1.0647611677043407
Energy: 1.008563289072108
Energy: 1.0647611677063378
Energy: 0.964709390904193
Energy: 1.1820779039808953
Energy: 0.9647093909035273
Energy: 1.1820779039808953
Energy: 0.9647093909021957
Energy: 1.1820779039802294
Energy: 1.1245221051462033
Energy: 0.9654593196771478
Energy: 1.1245221051448717
Energy: 0.9654593196771478
Energy: 1.1245221051462033
Energy: 0.9654593196778136
Energy: 0.9605069730668722
Energy: 1.0132093658154737
Energy: 0.9605069730668722
Energy: 1.013209365817471
Energy: 0.9605069730655406
Energy: 1.013209365817471
Energy: 0.9778183346420762
Energy: 1.1114225883457656
Energy: 0.9778183346420762
Energy: 1.1114225883457656
Energy: 0.9778183346420762
Energy: 1.1114225883457656
Energy: 1.098500067493467
Energy: 0.9443034184674514
Energy: 1.0985000674928014
Energy: 0.9443034184674514
Energy: 1.098500067493467
Energy: 0.9443034184687829
Energy: 1.1836084684637627
Energy: 0.9435395796371807
Energy: 1.1836084684637627
Energy: 0.943539579636515
Energy: 1.183608468463097
Energy: 0.943539579636515
Energy: 0.9850616985641916
Energy: 1.1151820468808162
Energy: 0.9850616985641916
Energy: 1.115182046881482
Energy: 0.9850616985641916
Energy: 1.1151820468808162
Energy: 1.1003877911210924
Energy: 1.0287963442035089
Energy: 1.1003877911217583
Energy: 1.0287963442008459
Energy: 1.1003877911210924
Energy: 1.028796344199514
Energy: 1.1606233171578575
Energy: 0.9938204662407104
Energy: 1.1606233171585234
Energy: 0.9938204662400447
Energy: 1.1606233171578575
Energy: 0.9938204662393789
Energy: 0.9693093507133493
Energy: 1.1661930502205708
Energy: 0.9693093507113522
Energy: 1.1661930502205708
Energy: 0.9693093507126835
Energy: 1.1661930502205708
Energy: 0.9364291424262224
Energy: 1.178568308436146
Energy: 0.9364291424275537
Energy: 1.178568308436146
Energy: 0.9364291424262224
Energy: 1.178568308436146
Energy: 1.1366038823266131
Energy: 0.957455116635986
Energy: 1.1366038823259474
Energy: 0.957455116635986
Energy: 1.136603882327279
Energy: 0.957455116635986
Energy: 1.0694660584244162
Energy: 1.065739228163847
Energy: 1.0694660584244162
Energy: 1.0657392281631812
Energy: 1.0694660584250824
Energy: 1.065739228163847
Energy: 1.0663501776523687
Energy: 1.204570897984988
Energy: 1.0663501776523687
Energy: 1.204570897984988
Energy: 1.066350177651703
Energy: 1.2045708979843224
Energy: 1.1485850053459923
Energy: 0.9576712448367406
Energy: 1.1485850053459923
Energy: 0.9576712448367406
Energy: 1.1485850053459923
Energy: 0.9576712448367406
Energy: 1.0148284875460545
Energy: 0.9938286364497995
Energy: 1.014828487541394
Energy: 0.9938286364497995
Energy: 1.0148284875447227
Energy: 0.9938286364471365
Energy: 0.9478157222525145
Energy: 1.088599984940169
Energy: 0.9478157222525145
Energy: 1.088599984940169
Energy: 0.9478157222531803
Energy: 1.088599984939503
Energy: 1.082602300507826
Energy: 0.9923218967581582
Energy: 1.0826023005084922
Energy: 0.9923218967581582
Energy: 1.082602300507826
Energy: 0.9923218967588241
Energy: 1.1542916785542479
Energy: 0.9926189956920859
Energy: 1.1542916785535822
Energy: 0.9926189956920859
Energy: 1.1542916785542479
Energy: 0.9926189956934175

minimum gb energy = 0.9364291424262224 eV
minimum distance =  2.21904208676928 Angstroms
sigma value = 101


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

Energy: 0.9925118041393461
Energy: 1.1405895838005307
Energy: 0.9925118041393461
Energy: 1.1405895838005307
Energy: 0.9925118041381759
Energy: 1.1405895838005307
Energy: 0.9932343450110892
Energy: 0.9804986995236236
Energy: 0.9932343450146007
Energy: 0.9551954965186672
Energy: 0.9932343450163562
Energy: 0.9551954965180819
Energy: 1.1088176850252462
Energy: 0.9306371520604071
Energy: 1.1088176850258316
Energy: 0.9306371520604071
Energy: 1.1088176850240756
Energy: 0.9306371520609923
Energy: 0.893509499462111
Energy: 1.1616022621238529
Energy: 0.8935094994632814
Energy: 1.1616022621238529
Energy: 0.8935094994609404
Energy: 1.1616022621238529
Energy: 0.9573573749970092
Energy: 0.981601752402526
Energy: 0.9573573749981795
Energy: 0.9816017524007703
Energy: 0.9573573749981795
Energy: 0.9816017523995998
Energy: 1.1178702718565872
Energy: 0.9106343100850779
Energy: 1.1178702718560019
Energy: 0.9106343100850779
Energy: 1.1178702718571725
Energy: 0.9106343100844926
Energy: 0.9542132456789525
Energy: 0.9838538093917798
Energy: 0.9542132456771969
Energy: 0.9838538093888536
Energy: 0.9542132456818787
Energy: 0.9838538093976319
Energy: 0.9096727648458944
Energy: 1.0490658960283175
Energy: 0.9096727648453091
Energy: 1.0111451670792102
Energy: 0.9096727648453091
Energy: 1.0111392817590548
Energy: 1.11833847463668
Energy: 0.9148178532711616
Energy: 1.118338474637265
Energy: 0.9148178532711616
Energy: 1.1183384746355094
Energy: 0.9148178532711616
Energy: 0.9355232630317676
Energy: 1.126846961734311
Energy: 0.9355194600571204
Energy: 1.009125805106163
Energy: 0.9355187951876953
Energy: 1.00912580511143
Energy: 0.8913622062003993
Energy: 1.1234687582689655
Energy: 0.8913622061998143
Energy: 1.1234687582689655
Energy: 0.8913622061998143
Energy: 1.1234687582683802
Energy: 1.0673647759489266
Energy: 0.9673008868122985
Energy: 1.0673647759489266
Energy: 0.9416948041682135
Energy: 1.067364775949512
Energy: 0.9416948041723101
Energy: 1.1831012381197497
Energy: 0.9297569679329426
Energy: 1.1831012381209203
Energy: 0.9297569679335277
Energy: 1.1831012381191648
Energy: 0.9297569679346982
Energy: 0.9927053151059654
Energy: 1.2414667873313003
Energy: 0.9927053151071358
Energy: 1.1886180726040658
Energy: 0.9927053151077211
Energy: 1.1886180726040658
Energy: 1.0200067604198355
Energy: 0.9842442164756747
Energy: 1.0200067604192502
Energy: 0.9842442164815272
Energy: 1.020006760416324
Energy: 0.9842442164838681
Energy: 1.1089608498096732
Energy: 0.9355690063017726
Energy: 1.1089608498090882
Energy: 0.9355690063023578
Energy: 1.1089608498096732
Energy: 0.9355690063023578
Energy: 0.8920606121853389
Energy: 1.050420916787923
Energy: 0.8920606121859241
Energy: 1.0504209167931902
Energy: 0.8920606121847535
Energy: 1.0504209167908494
Energy: 0.8919830786500809
Energy: 0.9835617255884274
Energy: 0.8919830786506662
Energy: 0.9835617255942265
Energy: 0.8919830786512513
Energy: 0.9835617255936412
Energy: 1.116358748119798
Energy: 0.9146163187083703
Energy: 1.1163587481203832
Energy: 0.9146163187077851
Energy: 1.116358748119798
Energy: 0.9146163187054441
Energy: 0.9545567048835203
Energy: 0.9832008089714177
Energy: 0.9545567048835203
Energy: 0.9832008089696618
Energy: 0.9545567048811793
Energy: 0.9832008089632244
Energy: 0.9129041453503115
Energy: 1.231276471052418
Energy: 0.9129041453497264
Energy: 1.231276471052418
Energy: 0.9129041453491412
Energy: 1.231276471052418
Energy: 1.2228439264523034
Energy: 0.911543103976536
Energy: 1.2228439264523034
Energy: 0.9115431039759507
Energy: 1.2228439264528888
Energy: 0.911543103976536
Energy: 1.0754562618465506
Energy: 0.912430712930319
Energy: 1.0754562618465506
Energy: 0.9124307129309042
Energy: 1.0754562618465506
Energy: 0.912430712930319
Energy: 0.8935273473183093
Energy: 1.0966346606280488
Energy: 0.8935273473188945
Energy: 1.0966346606280488
Energy: 0.8935273473112866
Energy: 1.0966346606280488
Energy: 1.117498493778428
Energy: 0.9842701285830141
Energy: 1.117498493778428
Energy: 0.984270128585355
Energy: 1.1174984937778427
Energy: 0.984270128585355
Energy: 1.1887109205386064
Energy: 0.9323964793561655
Energy: 1.1887109205386064
Energy: 0.9323964793567509
Energy: 1.1887109205380213
Energy: 0.9323964793561655
Energy: 0.9921853949887395
Energy: 1.0518262588038474
Energy: 0.9921853949940066
Energy: 1.051826258805018
Energy: 0.9921853949834725
Energy: 1.0518262588038474
Energy: 0.992706407384913
Energy: 1.0364742136564071
Energy: 0.9927064073890096
Energy: 1.0364742136575777
Energy: 0.9927064073796459
Energy: 1.0364742136569924
Energy: 1.0968024344721143
Energy: 0.9300473141045398
Energy: 1.0968024344721143
Energy: 0.9300473141057103
Energy: 1.0968024344709442
Energy: 0.9300473141051252
Energy: 0.8920243629093084
Energy: 1.0504621626015431
Energy: 0.8920243629075527
Energy: 1.0504621626027133
Energy: 0.8920243629063823
Energy: 1.050462162603884
Energy: 0.8919354740980494
Energy: 1.1524706372397266
Energy: 0.891935474104487
Energy: 1.1524706372391416
Energy: 0.8919354741015608
Energy: 1.1524706372397266
Energy: 1.0747046296673415
Energy: 0.9114370301024691
Energy: 1.074704629665586
Energy: 0.9114370301024691
Energy: 1.0747046296679268
Energy: 0.9114370301024691
Energy: 1.1532835081113908
Energy: 0.9126902423743807
Energy: 1.1532835081113908
Energy: 0.9126902423743807
Energy: 1.1532835081108055
Energy: 0.9126902423749659

minimum gb energy = 0.8913622061998143 eV
minimum distance =  2.2501474972836 Angstroms
sigma value = 33


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

Energy: 0.021599847507523955
Energy: 0.7852800353958982
Energy: 0.021599847507523955
Energy: 0.7852800353954119
Energy: 0.021599847507523955
Energy: 0.7852800353958982
Energy: 0.02247415153472475
Energy: 0.6516567993232304
Energy: 0.022474151535211
Energy: 0.6516567993232304
Energy: 0.022474151534292525
Energy: 0.6516567993232304
Energy: 0.7857878419340834
Energy: 0.6516764120750701
Energy: 0.7857878419335971
Energy: 0.6516764120807431
Energy: 0.7857878419359744
Energy: 0.6516764120793384
Energy: 0.02247415153569725
Energy: 0.6516567993246891
Energy: 0.02247415153569725
Energy: 0.6516567993246891
Energy: 0.022474151535211
Energy: 0.6516567993246891

minimum gb energy = 0.021599847507523955 eV
minimum distance =  2.41443183729437 Angstroms
sigma value = 1