Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8599998205900192
cohesive_energy=1.5373099021567544
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.004759599130623119
Energy: 0.004898918499712328
Energy: 0.49504242764763673
Energy: 0.004898918499712328
Energy: 0.004759599130623119
Energy: 0.004898918500206409
Energy: 0.004898918500206409
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.49504242764763673
Energy: 0.004898918499712328
Energy: 0.004759599130623119
Energy: 0.004898918499225207
Energy: 0.49504242764763673
Energy: 0.004898918499225207
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.004759599130623119
Energy: 0.004898918501180652
Energy: 0.49504242764763673
Energy: 0.004898918499712328
Energy: 0.004759599130623119
Energy: 0.004898918499712328
Energy: 0.004898918500206409
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617
Energy: 0.004898918499712328
Energy: 2.2544700125869617

minimum gb energy = 0.004759599130623119 eV
minimum distance =  2.45101748306459 Angstroms
sigma value = 1


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

Energy: 1.1794281095627963
Energy: 1.3895134378455924
Energy: 1.1831067850484445
Energy: 1.3895134378455924
Energy: 1.1794281095627963
Energy: 1.3895134378455924
Energy: 1.1747812326904754
Energy: 1.3459873595812466
Energy: 1.267356203018373
Energy: 1.3459873595811234
Energy: 1.1747812326905989
Energy: 1.3459873595812466
Energy: 1.1089087743961819
Energy: 1.39090430507923
Energy: 1.187584086164767
Energy: 1.39090430507923
Energy: 1.1089087743961819
Energy: 1.39090430507923
Energy: 1.2305046024986221
Energy: 1.2816231462360073
Energy: 1.0936963924384049
Energy: 1.2816231462356376
Energy: 1.230504602499225
Energy: 1.281623146235884
Energy: 1.229822874328451
Energy: 1.3898057886289796
Energy: 1.207781839099469
Energy: 1.3898057886284862
Energy: 1.2298228743840256
Energy: 1.3898057886290889
Energy: 1.1888009695824693
Energy: 1.359229691527524
Energy: 1.1242178514780958
Energy: 1.3592296915274007
Energy: 1.1888009695820991
Energy: 1.359229691527524
Energy: 1.1871470840716953
Energy: 1.3570780562126727
Energy: 1.1092139302138437
Energy: 1.3570780562126727
Energy: 1.1871470840715719
Energy: 1.3570780562129061
Energy: 1.2537290809156918
Energy: 1.388600729818147
Energy: 1.5486690105040484
Energy: 1.3886007298182703
Energy: 1.253729080915925
Energy: 1.3886007298185172
Energy: 1.3051420990834013
Energy: 1.3079008968364358
Energy: 1.315381437979064
Energy: 1.3079008968369292
Energy: 1.305142099083881
Energy: 1.3079008968363264
Energy: 1.1883224396181589
Energy: 1.3731796264209513
Energy: 1.1239544359877698
Energy: 1.3731796264209513
Energy: 1.188322439618282
Energy: 1.3731796264208278
Energy: 1.26176490546776
Energy: 1.3299863600021569
Energy: 1.2954584772738085
Energy: 1.32998636000276
Energy: 1.2617649054678832
Energy: 1.3299863600020334
Energy: 1.1306321041540852
Energy: 1.3882716760870284
Energy: 1.1307136788361014
Energy: 1.3882716760867955
Energy: 1.1306321041538525
Energy: 1.3882716760867955
Energy: 1.2954942593778267
Energy: 1.3299863600026367
Energy: 1.2103130237082316
Energy: 1.32998636000228
Energy: 1.2954942593778267
Energy: 1.32998636000228
Energy: 1.1240545246343037
Energy: 1.3733387082023065
Energy: 1.1883243497761973
Energy: 1.373338708202183
Energy: 1.124054524634427
Energy: 1.373338708202183
Energy: 1.3154584500395081
Energy: 1.307594732170907
Energy: 1.3051170015129019
Energy: 1.3075947321712769
Energy: 1.3154584500415638
Energy: 1.3075947321706738
Energy: 1.3202205430544347
Energy: 1.3882799476923346
Energy: 1.2535768232099953
Energy: 1.388279947692458
Energy: 1.320220543055394
Energy: 1.3882799476922252
Energy: 1.1091189757492605
Energy: 1.3569959017620703
Energy: 1.1872800309718172
Energy: 1.356995901762303
Energy: 1.109118975749137
Energy: 1.35699590176255
Energy: 1.1239728114820906
Energy: 1.3598706449309483
Energy: 1.1886719768134768
Energy: 1.359870644931195
Energy: 1.1239728114819671
Energy: 1.3598706449310716
Energy: 1.2297147519055984
Energy: 1.3903116296031302
Energy: 1.2299532525314016
Energy: 1.3903116296028972
Energy: 1.2297147519057217
Energy: 1.3903116296030067
Energy: 1.0936909644386392
Energy: 1.2807505218580022
Energy: 1.2306016386141188
Energy: 1.2807505218577553
Energy: 1.0936909644394888
Energy: 1.2807505218578787
Energy: 1.1868988861107423
Energy: 1.39089789604482
Energy: 1.108872894496706
Energy: 1.39089789604482
Energy: 1.1868988861108656
Energy: 1.3908978960446967
Energy: 1.2666673809373838
Energy: 1.3457774117777144
Energy: 1.1747900165450393
Energy: 1.3457774117768784
Energy: 1.266667380937137
Energy: 1.345777411776385
Energy: 1.209791803759699
Energy: 1.3895134378457157
Energy: 1.1794281095626729
Energy: 1.3895134378457157
Energy: 1.209791803759699
Energy: 1.3895134378457157

minimum gb energy = 1.0936909644386392 eV
minimum distance =  2.29955710747444 Angstroms
sigma value = 33


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

Energy: 1.5563413773733201
Energy: 1.467256030412801
Energy: 1.2328069215824118
Energy: 1.467256030412801
Energy: 1.5563413773733201
Energy: 1.467256030412801
Energy: 1.1951723604435376
Energy: 1.4213177019060537
Energy: 1.3862774222690817
Energy: 1.4213177019060537
Energy: 1.1951723604435376
Energy: 1.4213177019060537
Energy: 1.1836180363837239
Energy: 1.4831973273321286
Energy: 1.2883262678819514
Energy: 1.4831973273321286
Energy: 1.18361803638441
Energy: 1.4831973273321286
Energy: 1.210592833995809
Energy: 1.3552786931756424
Energy: 1.3139046241657428
Energy: 1.3552786931756424
Energy: 1.210592833995809
Energy: 1.3552786931756424
Energy: 1.211123222528709
Energy: 1.442329226781047
Energy: 1.258121122089186
Energy: 1.442329226781047
Energy: 1.211123222528709
Energy: 1.442329226781047
Energy: 1.2685769187830895
Energy: 1.4258477058220833
Energy: 1.1826203283209435
Energy: 1.4258477058220833
Energy: 1.2685769187830895
Energy: 1.4258477058220833
Energy: 1.2685352098201614
Energy: 1.4256137645022644
Energy: 1.3200330224400498
Energy: 1.4256137645015785
Energy: 1.2685352098194755
Energy: 1.4256137645022644
Energy: 1.182687662415822
Energy: 1.424976650792532
Energy: 1.5055363610699661
Energy: 1.424976650791846
Energy: 1.182687662415822
Energy: 1.424976650792532
Energy: 1.277931416537816
Energy: 1.3751472197316257
Energy: 1.2688297201059728
Energy: 1.3751472197316257
Energy: 1.277931416537816
Energy: 1.3751472197316257
Energy: 1.2144237648680682
Energy: 1.4686814579662826
Energy: 1.2106930324404506
Energy: 1.4686814579662826
Energy: 1.2144237648680682
Energy: 1.4686814579669685
Energy: 1.2044321077776103
Energy: 1.489992006902859
Energy: 1.4116455979061773
Energy: 1.489992006902859
Energy: 1.2044321077776103
Energy: 1.489992006902859
Energy: 1.2877192946331646
Energy: 1.4259227630676343
Energy: 1.2209438663994394
Energy: 1.4259227630676343
Energy: 1.2877192946331646
Energy: 1.4259227630676343
Energy: 1.4238470549156057
Energy: 1.368318395657299
Energy: 1.2032581040214416
Energy: 1.368318395657299
Energy: 1.4238470549156057
Energy: 1.368318395657299
Energy: 1.2855767568197587
Energy: 1.479747626635257
Energy: 1.557199386296701
Energy: 1.479747626635257
Energy: 1.2855767568190726
Energy: 1.479747626635257
Energy: 1.2882143609613124
Energy: 1.4458739857863565
Energy: 1.3496346234463394
Energy: 1.4458739857863565
Energy: 1.2882143609613124
Energy: 1.4458739857863565
Energy: 1.2880123355582878
Energy: 1.4418252770860054
Energy: 1.20292413419819
Energy: 1.4418252770860054
Energy: 1.2880123355582878
Energy: 1.4418252770860054
Energy: 1.3135578158450327
Energy: 1.4255876212532648
Energy: 1.2105404362059462
Energy: 1.4255876212532648
Energy: 1.3135578158450327
Energy: 1.4255876212532648
Energy: 1.3137750021314984
Energy: 1.423540158912959
Energy: 1.4046586513965151
Energy: 1.4235401589136452
Energy: 1.3137750021314984
Energy: 1.4235401589136452
Energy: 1.1656928547604253
Energy: 1.4263788763431529
Energy: 1.5055788003638522
Energy: 1.426378876343839
Energy: 1.1656928547604253
Energy: 1.426378876343839
Energy: 1.26327263193883
Energy: 1.3726169050553114
Energy: 1.3300838076876227
Energy: 1.3726169050553114
Energy: 1.26327263193883
Energy: 1.3726169050553114
Energy: 1.2754658198641542
Energy: 1.4692270507181935
Energy: 1.2020715529301025
Energy: 1.4692270507181935
Energy: 1.2754658198641542
Energy: 1.4692270507181935
Energy: 1.1954082627065739
Energy: 1.4116376894926468
Energy: 1.3138838645087085
Energy: 1.4116376894926468
Energy: 1.1954082627065739
Energy: 1.4116376894926468
Energy: 1.1940134018669546
Energy: 1.4262518558873336
Energy: 1.258230920034252
Energy: 1.4262518558873336
Energy: 1.1940134018669546
Energy: 1.4262518558873336
Energy: 1.3868198324913883
Energy: 1.4130108551066907
Energy: 1.2817590973223405
Energy: 1.4130108551073766
Energy: 1.3868198324907022
Energy: 1.4130108551073766
Energy: 1.2526003850762732
Energy: 1.4266859314945333
Energy: 1.287959310361056
Energy: 1.4266859314945333
Energy: 1.2526003850769594
Energy: 1.4266859314952192
Energy: 1.5417657235180395
Energy: 1.447963531179491
Energy: 1.1961800554127575
Energy: 1.447963531179491
Energy: 1.5417657235180395
Energy: 1.447963531179491
Energy: 1.5417544666537297
Energy: 1.4479846903171736
Energy: 1.2397744885960067
Energy: 1.4479846903171736
Energy: 1.5417544666544158
Energy: 1.4479846903171736
Energy: 1.2525878816084826
Energy: 1.4255027077564926
Energy: 1.2880392261964062
Energy: 1.4255027077564926
Energy: 1.2525878816084826
Energy: 1.4255027077564926
Energy: 1.3868371677298756
Energy: 1.4129739617956876
Energy: 1.2818846977261624
Energy: 1.4129739617956876
Energy: 1.3868371677298756
Energy: 1.4129739617956876
Energy: 1.1939404470341572
Energy: 1.4261833032491844
Energy: 1.3138451322926612
Energy: 1.4261833032491844
Energy: 1.1939404470334714
Energy: 1.4261833032491844
Energy: 1.195179989678658
Energy: 1.4116376894926468
Energy: 1.3138289866677548
Energy: 1.4116376894926468
Energy: 1.195179989677972
Energy: 1.4116376894926468
Energy: 1.2754082517700338
Energy: 1.4691316701595134
Energy: 1.2018060148347744
Energy: 1.4691316701595134
Energy: 1.2754082517700338
Energy: 1.4691316701595134
Energy: 1.263212207675436
Energy: 1.3727369734206358
Energy: 1.330204473276485
Energy: 1.3727369734206358
Energy: 1.2632122076761219
Energy: 1.37273697341995
Energy: 1.16576148947961
Energy: 1.4263926495273094
Energy: 1.422264554227951
Energy: 1.4263926495273094
Energy: 1.16576148947961
Energy: 1.4263926495273094
Energy: 1.3140784565852504
Energy: 1.4151223814838427
Energy: 1.298546459906931
Energy: 1.4151223814838427
Energy: 1.3140784565845645
Energy: 1.4151223814845288
Energy: 1.3135799348977182
Energy: 1.4255782672156492
Energy: 1.2105939635550746
Energy: 1.4255782672156492
Energy: 1.3135799348970325
Energy: 1.4255782672156492
Energy: 1.2883004971512
Energy: 1.4456278177308488
Energy: 1.2376556218504327
Energy: 1.4456278177308488
Energy: 1.2883004971512
Energy: 1.4456278177308488
Energy: 1.2883316930225386
Energy: 1.4460265871444116
Energy: 1.3496065571795166
Energy: 1.4460265871444116
Energy: 1.2883316930252828
Energy: 1.4460265871444116
Energy: 1.2854125397156708
Energy: 1.4798018230514618
Energy: 1.5572886238958132
Energy: 1.4798018230514618
Energy: 1.2854125397156708
Energy: 1.4798018230514618
Energy: 1.4238611647387343
Energy: 1.3678559777958479
Energy: 1.2033578412209882
Energy: 1.367855977796534
Energy: 1.4238611647387343
Energy: 1.367855977796534
Energy: 1.287714337197638
Energy: 1.425875264318382
Energy: 1.237517321059464
Energy: 1.425875264318382
Energy: 1.287714337197638
Energy: 1.425875264318382

minimum gb energy = 1.1656928547604253 eV
minimum distance =  2.28257571310784 Angstroms
sigma value = 51


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

Energy: 1.3649508784438105
Energy: 1.3653052421219367
Energy: 1.342943181265701
Energy: 1.3653052421214582
Energy: 1.3649508784438105
Energy: 1.3653052421220992
Energy: 1.353152973714635
Energy: 1.5039894730129426
Energy: 1.4674761362492397
Energy: 1.5039894741479454
Energy: 1.353152973714635
Energy: 1.5039894736988049
Energy: 1.1721368460088633
Energy: 1.3768172281257602
Energy: 1.4679282172798227
Energy: 1.3768172281273496
Energy: 1.1721368460088633
Energy: 1.3768172281254443
Energy: 1.2051214860379176
Energy: 1.4368979392668038
Energy: 1.4682515790126787
Energy: 1.4368979392671288
Energy: 1.205121486037755
Energy: 1.4368979392669663
Energy: 1.1848486860589111
Energy: 1.4370791875768203
Energy: 1.4041174258277669
Energy: 1.4370791875766578
Energy: 1.1848486860587484
Energy: 1.4370791875766578
Energy: 1.365192913507881
Energy: 1.4366091683809068
Energy: 1.5547831098450873
Energy: 1.436609168381223
Energy: 1.3651929135080436
Energy: 1.436609168381223
Energy: 1.3653843924122904
Energy: 1.4368035545913054
Energy: 1.4395006483263544
Energy: 1.4368035545913054
Energy: 1.3653843924122904
Energy: 1.4368035545911428
Energy: 1.1853347345464555
Energy: 1.4367716276954943
Energy: 1.177101850286267
Energy: 1.4367716276954943
Energy: 1.185334734546302
Energy: 1.4367716276956475
Energy: 1.5949143772125327
Energy: 1.46633188443583
Energy: 1.1691923521463417
Energy: 1.4663318844356765
Energy: 1.5949143772125327
Energy: 1.466331884435514
Energy: 1.1721966692012913
Energy: 1.3767939041388968
Energy: 1.218171285946576
Energy: 1.376793904088061
Energy: 1.1721966692011379
Energy: 1.3767939043244664
Energy: 1.4907686226896626
Energy: 1.4870494830548056
Energy: 1.6011964066010969
Energy: 1.487049483071007
Energy: 1.4907686226898254
Energy: 1.4870494830606846
Energy: 1.364957324375905
Energy: 1.3650357656273284
Energy: 1.5544296285928345
Energy: 1.365035765627482
Energy: 1.3649573243757516
Energy: 1.3650357656273284
Energy: 1.2819626035721152
Energy: 1.4493137281119162
Energy: 1.467641481079374
Energy: 1.4493137281117625
Energy: 1.2819626035719616
Energy: 1.4493137281117625
Energy: 1.171950553762907
Energy: 1.427758156591943
Energy: 1.4675928800743687
Energy: 1.4277581565922592
Energy: 1.1719505537630601
Energy: 1.4277581565920965
Energy: 1.2050292341229496
Energy: 1.4279682727271765
Energy: 1.467651949852288
Energy: 1.4279682727268603
Energy: 1.2050292341229496
Energy: 1.427968272727023
Energy: 1.1723349698492662
Energy: 1.4819806764073025
Energy: 1.4675411848139968
Energy: 1.4819806764073025
Energy: 1.1723349698492662
Energy: 1.48198067640714
Energy: 1.3657214956402477
Energy: 1.3657136622770858
Energy: 1.6038212411896497
Energy: 1.3657136621755679
Energy: 1.3657214956400852
Energy: 1.3657136622370512
Energy: 1.6311415180664766
Energy: 1.437056485538781
Energy: 1.6021770461905431
Energy: 1.4370564855386185
Energy: 1.6311415181244648
Energy: 1.437056485538781

minimum gb energy = 1.1691923521463417 eV
minimum distance =  2.27710678545533 Angstroms
sigma value = 19


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

Energy: 1.4785932904435193
Energy: 1.549946050079807
Energy: 1.2957924374844134
Energy: 1.5499460500799036
Energy: 1.4785932904435193
Energy: 1.5499460500799036
Energy: 1.2247377749138466
Energy: 1.609676780583138
Energy: 1.4020782962039047
Energy: 1.609676780583138
Energy: 1.224737774913761
Energy: 1.6096767805829453
Energy: 1.212298080305967
Energy: 1.6053385135927771
Energy: 1.3420341437187089
Energy: 1.605338513592595
Energy: 1.212298080305967
Energy: 1.6053385135926805
Energy: 1.3226688514940896
Energy: 1.5359727167705977
Energy: 1.4881440228071616
Energy: 1.535972716770501
Energy: 1.3226688514939076
Energy: 1.5359727167704158
Energy: 1.2493691744344873
Energy: 1.5408268557718496
Energy: 1.5240611662133876
Energy: 1.5408268557720426
Energy: 1.2493691744344873
Energy: 1.5408268557720426
Energy: 1.5245404856723788
Energy: 1.5407306008606052
Energy: 1.249335197354244
Energy: 1.5407306008607016
Energy: 1.5245404856722826
Energy: 1.5407306008606052
Energy: 1.4881690028597032
Energy: 1.536030162251556
Energy: 1.2492057152850264
Energy: 1.536030162251556
Energy: 1.4881690028596068
Energy: 1.536030162251642
Energy: 1.3417472868383304
Energy: 1.6054083406683854
Energy: 1.2123139226151884
Energy: 1.6054083406682034
Energy: 1.3417472868383304
Energy: 1.6054083406682034
Energy: 1.4020438458971385
Energy: 1.6114817574006017
Energy: 1.3498018496216915
Energy: 1.6114817574004199
Energy: 1.4020438458971385
Energy: 1.6114817573999483
Energy: 1.295338781388304
Energy: 1.549946050079807
Energy: 1.4785932904436156
Energy: 1.549946050079807
Energy: 1.2953387813884005
Energy: 1.549946050079807
Energy: 1.4020782962042795
Energy: 1.6096767805830419
Energy: 1.224737774913761
Energy: 1.6096767805830419
Energy: 1.4020782962042795
Energy: 1.6096767805830419
Energy: 1.3420341437197374
Energy: 1.6053385135926805
Energy: 1.2122980803058705
Energy: 1.6053385135928735
Energy: 1.3420341437198338
Energy: 1.605338513592595
Energy: 1.4881440228067866
Energy: 1.535972716770501
Energy: 1.2492098500742237
Energy: 1.535972716770501
Energy: 1.488144022807065
Energy: 1.535972716770501
Energy: 1.5240611662135806
Energy: 1.540826855772139
Energy: 1.2493691744344873
Energy: 1.540826855771946
Energy: 1.5240611662135806
Energy: 1.5408268557720426
Energy: 1.249335197354244
Energy: 1.5407306008605088
Energy: 1.469359576295647
Energy: 1.5407306008606052
Energy: 1.249335197354244
Energy: 1.5407306008605088
Energy: 1.2721233720619176
Energy: 1.536030162251556
Energy: 1.4881690028597032
Energy: 1.5360301622513632
Energy: 1.2721233720619176
Energy: 1.5360301622514596
Energy: 1.2123139226150919
Energy: 1.6054083406683854
Energy: 1.3417472868383304
Energy: 1.6054083406682034
Energy: 1.2123139226151884
Energy: 1.6054083406682889
Energy: 1.34980184962122
Energy: 1.6114817574005162
Energy: 1.4020438458969562
Energy: 1.6114817574000446
Energy: 1.3498018496213167
Energy: 1.6114817574005162
Energy: 1.4785932904435193
Energy: 1.54994605008
Energy: 1.3321359580048644
Energy: 1.5499460500799036
Energy: 1.4785932904435193
Energy: 1.5499460500799036
Energy: 1.224737774913761
Energy: 1.609676780583138
Energy: 1.4020782962040865
Energy: 1.609676780583138
Energy: 1.224737774913761
Energy: 1.609676780583138
Energy: 1.212298080305967
Energy: 1.6053385135926805
Energy: 1.342034143719266
Energy: 1.605338513592595
Energy: 1.212298080305967
Energy: 1.6053385135924985
Energy: 1.2492098500745024
Energy: 1.5359727167704158
Energy: 1.4881440228072582
Energy: 1.5359727167704158
Energy: 1.2492098500746953
Energy: 1.535972716770501
Energy: 1.2493691744345834
Energy: 1.540826855771946
Energy: 1.524061166213677
Energy: 1.5408268557723213
Energy: 1.24936917443468
Energy: 1.5408268557718496
Energy: 1.4081767889513228
Energy: 1.5407306008606052
Energy: 1.249335197354244
Energy: 1.5407306008605088
Energy: 1.4081767889516013
Energy: 1.5407306008605088
Energy: 1.4881690028594246
Energy: 1.536030162251642
Energy: 1.2962382358374551
Energy: 1.536030162251556
Energy: 1.4881690028596068
Energy: 1.536030162251556
Energy: 1.3417472868381375
Energy: 1.6054083406680104
Energy: 1.2123139226150919
Energy: 1.6054083406682034
Energy: 1.3417472868382339
Energy: 1.6054083406684818
Energy: 1.402043845896763
Energy: 1.6114817574000446
Energy: 1.3498018496214987
Energy: 1.6114817573999483
Energy: 1.4020438458968598
Energy: 1.6114817573998519
Energy: 1.4030819009300008
Energy: 1.5499460500799036
Energy: 1.4785932904436156
Energy: 1.549946050079807
Energy: 1.4030819009300972
Energy: 1.5499460500799036
Energy: 1.4020782962040865
Energy: 1.6096767805829453
Energy: 1.224737774913761
Energy: 1.6096767805829453
Energy: 1.402078296204001
Energy: 1.6096767805829453
Energy: 1.3420341437203052
Energy: 1.605338513592595
Energy: 1.2122980803058705
Energy: 1.605338513592595
Energy: 1.3420341437205838
Energy: 1.6053385135926805

minimum gb energy = 1.2122980803058705 eV
minimum distance =  2.26769415844165 Angstroms
sigma value = 27


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

Energy: 1.125091569817418
Energy: 1.5387870747122248
Energy: 1.516882816994384
Energy: 1.5387870747119885
Energy: 1.1250915698176411
Energy: 1.5387870747122248
Energy: 1.1395329367315037
Energy: 1.4129408579188485
Energy: 1.211086569282286
Energy: 1.4129408579188485
Energy: 1.1395329367315037
Energy: 1.4129408579190845
Energy: 1.1881714287517637
Energy: 1.798311976664442
Energy: 1.239856144641732
Energy: 1.798311976664442
Energy: 1.1881714287517637
Energy: 1.798311976664442
Energy: 1.1853598310893922
Energy: 1.5718198008937725
Energy: 1.1881788065188321
Energy: 1.5718198008937725
Energy: 1.1853598310891695
Energy: 1.5718198008940085
Energy: 1.2132377065027917
Energy: 1.5283532933401782
Energy: 1.1880187688828459
Energy: 1.5283532933404145
Energy: 1.2132377065030278
Energy: 1.5283532933404145
Energy: 1.1877607141072577
Energy: 1.4884785827694653
Energy: 1.2109292147390909
Energy: 1.4884785827701608
Energy: 1.1877607141070217
Energy: 1.4884785827697016
Energy: 1.1880074854054383
Energy: 1.4257337554775922
Energy: 1.1876207538104173
Energy: 1.4257337554775922
Energy: 1.188007485405202
Energy: 1.4257337554775922
Energy: 1.1860421504838707
Energy: 1.5125001878658038
Energy: 1.213284134415747
Energy: 1.5125001878655806
Energy: 1.1860421504838707
Energy: 1.51250018786604
Energy: 1.1878620959470352
Energy: 1.5710011394268295
Energy: 1.2111314057982632
Energy: 1.5710011394268295
Energy: 1.1878620959472583
Energy: 1.5710011394270527
Energy: 1.1878545701900705
Energy: 1.8106841920099772
Energy: 1.1877022893000622
Energy: 1.8106841920099772
Energy: 1.1878545701900705
Energy: 1.8106841920099772
Energy: 1.1861956587838212
Energy: 1.5710780682064835
Energy: 1.1877387161414477
Energy: 1.5710780682064835
Energy: 1.1861956587828895
Energy: 1.5710780682064835
Energy: 1.2132425039075727
Energy: 1.5124621856491907
Energy: 1.1858853790467894
Energy: 1.5124621856494267
Energy: 1.2132425039075727
Energy: 1.5124621856494267

minimum gb energy = 1.125091569817418 eV
minimum distance =  2.27039531156586 Angstroms
sigma value = 9


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

Energy: 1.468057690057334
Energy: 1.6818219649452368
Energy: 1.2973836002435202
Energy: 1.6818219649458857
Energy: 1.468057690057334
Energy: 1.6818219649452368
Energy: 1.4743847400601644
Energy: 1.6117905666684107
Energy: 1.2572832117614592
Energy: 1.6250977666014752
Energy: 1.4743847400601644
Energy: 1.5849351574599817
Energy: 1.237157060191203
Energy: 1.7433147882756712
Energy: 1.257209263794599
Energy: 1.7433147882756712
Energy: 1.237157060191203
Energy: 1.7433147882756712
Energy: 1.2266916970091368
Energy: 1.7154525692021765
Energy: 1.1829496541165299
Energy: 1.7154525692015274
Energy: 1.2266916970091368
Energy: 1.7154525692021765
Energy: 1.2267029048133684
Energy: 1.6854377177424134
Energy: 1.1823973487146198
Energy: 1.6854377177424134
Energy: 1.2267029048133684
Energy: 1.6854377177424134
Energy: 1.1995627508025248
Energy: 1.5825636204180042
Energy: 1.3847694872042449
Energy: 1.591675300199656
Energy: 1.1995627508025248
Energy: 1.5825636204180042
Energy: 1.4514694082451245
Energy: 1.6424375178908426
Energy: 1.3552764415986311
Energy: 1.6424375178908426
Energy: 1.4514694082451245
Energy: 1.642437517890194
Energy: 1.355371237072261
Energy: 1.6536827162014291
Energy: 1.2897170258183477
Energy: 1.6536827162014291
Energy: 1.355371237072261
Energy: 1.6536827162014291
Energy: 1.367225256201777
Energy: 1.5433111110817546
Energy: 1.3553880554207984
Energy: 1.5433111110817546
Energy: 1.3672252562024259
Energy: 1.5433111110811057
Energy: 1.3406493371301478
Energy: 1.6885185222298118
Energy: 1.2266905878834113
Energy: 1.6885185222298118
Energy: 1.3406493371301478
Energy: 1.6885185222298118
Energy: 1.3628502171197496
Energy: 1.5820540471456905
Energy: 1.3399018024646843
Energy: 1.5820540471456905
Energy: 1.3628502171203987
Energy: 1.5820540471456905
Energy: 1.257868389659331
Energy: 1.68461037184777
Energy: 1.2372441622481505
Energy: 1.68461037184777
Energy: 1.257868389659331
Energy: 1.68461037184777
Energy: 1.1979142323718872
Energy: 1.575428565004751
Energy: 1.1792923671416462
Energy: 1.5754285650054
Energy: 1.1979142323718872
Energy: 1.575428565004751
Energy: 1.4572290450219318
Energy: 1.6934154684938167
Energy: 1.468775036320704
Energy: 1.6934154684938167
Energy: 1.4572290450219318
Energy: 1.6934154684938167
Energy: 1.2568749813168034
Energy: 1.6828240588205619
Energy: 1.2940501432030822
Energy: 1.6828240588205619
Energy: 1.2568749813168034
Energy: 1.6828240588205619
Energy: 1.3942374278016516
Energy: 1.616642933169528
Energy: 1.2371832687348965
Energy: 1.616642933169528
Energy: 1.3942374278016516
Energy: 1.616642933169528
Energy: 1.3392564870992345
Energy: 1.6982958220537572
Energy: 1.2264292634659677
Energy: 1.6982958220537572
Energy: 1.3392564870966388
Energy: 1.6982958220537572
Energy: 1.248562270285521
Energy: 1.5742557040692535
Energy: 1.2934791056708965
Energy: 1.5742557040686045
Energy: 1.248562270285521
Energy: 1.5742557040686045
Energy: 1.355080978272528
Energy: 1.7002116667589509
Energy: 1.2510736946371082
Energy: 1.7002116667589509
Energy: 1.355080978272528
Energy: 1.7002116667589509
Energy: 1.1983193538358397
Energy: 1.6638186966291568
Energy: 1.1980557641409606
Energy: 1.6638186966291568
Energy: 1.1983193538351906
Energy: 1.6710373368836566
Energy: 1.2511163504735876
Energy: 1.7002517914642135
Energy: 1.3550014787001092
Energy: 1.7002517914648623
Energy: 1.2511163504742366
Energy: 1.7002517914642135
Energy: 1.293513419043572
Energy: 1.6019962555421745
Energy: 1.2485403918569182
Energy: 1.6019962555421745
Energy: 1.2935134190442208
Energy: 1.6019962555421745
Energy: 1.226426632253348
Energy: 1.6982821549139602
Energy: 1.3393165402540852
Energy: 1.6982821549146092
Energy: 1.2264266322539967
Energy: 1.6982821549146092
Energy: 1.236919406622983
Energy: 1.6172271210305085
Energy: 1.3942437496602318
Energy: 1.6172271210298594
Energy: 1.2369194066236318
Energy: 1.6172271210298594
Energy: 1.2937829628898314
Energy: 1.6828598931865804
Energy: 1.2567097490941266
Energy: 1.6828598931865804
Energy: 1.2937829628898314
Energy: 1.6828598931865804
Energy: 1.4686334982711635
Energy: 1.6674628308967194
Energy: 1.4573314615652821
Energy: 1.6674628308960704
Energy: 1.4686334982718123
Energy: 1.6674628308960704
Energy: 1.1792397118532025
Energy: 1.575470766720726
Energy: 1.1978926105783998
Energy: 1.575470766721375
Energy: 1.179239711849958
Energy: 1.575470766721375
Energy: 1.2368991935210234
Energy: 1.6842480717241366
Energy: 1.257723054705739
Energy: 1.6842480717241366
Energy: 1.2368991935210234
Energy: 1.6842480717247854
Energy: 1.3400982897634515
Energy: 1.5818032662378916
Energy: 1.3009332664680802
Energy: 1.5818032662378916
Energy: 1.3400982897634515
Energy: 1.5818032662378916
Energy: 1.2265393771353819
Energy: 1.697253167305921
Energy: 1.3407943023503055
Energy: 1.6972531673065698
Energy: 1.226539377136031
Energy: 1.697253167305921
Energy: 1.3516386467273016
Energy: 1.5433111110817546
Energy: 1.3669219408488782
Energy: 1.5433111110817546
Energy: 1.3516386467273016
Energy: 1.5433111110817546
Energy: 1.2899232620094538
Energy: 1.6536475165560858
Energy: 1.3554099933515367
Energy: 1.6536475165560858
Energy: 1.2899232620094538
Energy: 1.6536475165560858
Energy: 1.3567703483318831
Energy: 1.6424225322619883
Energy: 1.579878537013218
Energy: 1.6424225322619883
Energy: 1.3567703481638929
Energy: 1.6424225322619883
Energy: 1.384647550855359
Energy: 1.5898956228620742
Energy: 1.1995583890146406
Energy: 1.5898956228620742
Energy: 1.384647550855359
Energy: 1.5898956228620742
Energy: 1.2948839201758964
Energy: 1.6854983831962267
Energy: 1.2266918000598703
Energy: 1.6854983831962267
Energy: 1.2948839201765454
Energy: 1.6854983831962267
Energy: 1.1828394419509056
Energy: 1.715695333136793
Energy: 1.2277726131053814
Energy: 1.715695333136793
Energy: 1.1828394419509056
Energy: 1.715695333136793
Energy: 1.2572057226798867
Energy: 1.743127384962364
Energy: 1.2370908266533223
Energy: 1.743127384962364
Energy: 1.2572057226798867
Energy: 1.743127384962364
Energy: 1.2569751349384595
Energy: 1.6250977666008266
Energy: 1.4742429064441407
Energy: 1.6250977666008266
Energy: 1.2569751349391085
Energy: 1.6250977666008266
Energy: 1.3585753406783028
Energy: 1.6818219649452368
Energy: 1.468057690057334
Energy: 1.6818219649452368
Energy: 1.3585753422168043
Energy: 1.6818219649452368
Energy: 1.257283212013776
Energy: 1.5849351574606307
Energy: 1.4743847400595154
Energy: 1.5849351574606307
Energy: 1.2572832119949582
Energy: 1.5849351574606307
Energy: 1.257209263806279
Energy: 1.7433147882756712
Energy: 1.237157060191203
Energy: 1.7433147882756712
Energy: 1.2572092638043326
Energy: 1.7433147882756712
Energy: 1.1829496541165299
Energy: 1.7154525692021765
Energy: 1.2266916970091368
Energy: 1.7154525692021765
Energy: 1.1829496541165299
Energy: 1.7154525692021765
Energy: 1.18239734869971
Energy: 1.6854377177430622
Energy: 1.2267029048133684
Energy: 1.6854377177424134
Energy: 1.182397348700359
Energy: 1.6854377177424134

minimum gb energy = 1.179239711849958 eV
minimum distance =  2.26155406444252 Angstroms
sigma value = 57


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

Energy: 1.242716845601579
Energy: 1.200532003040953
Energy: 1.3033191606903236
Energy: 1.200532003080382
Energy: 1.242716845601579
Energy: 1.2005320029997615
Energy: 1.3512814903044161
Energy: 1.587068381789952
Energy: 1.1119777934819424
Energy: 1.5870683817900864
Energy: 1.3512814903042816
Energy: 1.587068381789952
Energy: 1.0700369404638665
Energy: 1.6155311413303806
Energy: 1.1995570100578115
Energy: 1.6155311413303806
Energy: 1.0700369404638665
Energy: 1.6155311413303806
Energy: 1.111518317191792
Energy: 1.1118755864966678
Energy: 1.1510189173651044
Energy: 1.1118755864966678
Energy: 1.111518317191943
Energy: 1.1118755864969532
Energy: 1.111756954575924
Energy: 1.1023361999148447
Energy: 1.1117717841683339
Energy: 1.1023362006065733
Energy: 1.111756954575924
Energy: 1.1023362004624704
Energy: 1.11178059195963
Energy: 1.61405592738151
Energy: 1.2426520740476192
Energy: 1.614055927381359
Energy: 1.11178059195963
Energy: 1.614055927381359
Energy: 1.1118964071649846
Energy: 1.6923761931806287
Energy: 1.244393623862003
Energy: 1.6923761931806287
Energy: 1.11189640716292
Energy: 1.6923761931806287
Energy: 1.1118933410191107
Energy: 1.1545914282972227
Energy: 1.1140775276153907
Energy: 1.1545914283548135
Energy: 1.1118933410191107
Energy: 1.1545914282539664
Energy: 1.111486681455596
Energy: 1.1121249402327071
Energy: 1.1118569786826598
Energy: 1.1121249402331603
Energy: 1.111486681455596
Energy: 1.1121249402343352
Energy: 1.0700613349770056
Energy: 1.6155430119135983
Energy: 1.1994579108359518
Energy: 1.6155430119137493
Energy: 1.0700613349770056
Energy: 1.6155430119139003
Energy: 1.3512577543574182
Energy: 1.5870683817900864
Energy: 1.1751533462091788
Energy: 1.5870683817900864
Energy: 1.351257754357284
Energy: 1.5870683817898008
Energy: 1.242716845601579
Energy: 1.200532003039627
Energy: 1.4421284696094485
Energy: 1.200532002956052
Energy: 1.242716845601579
Energy: 1.2005320029981335
Energy: 1.3512814903045671
Energy: 1.5870683817900864
Energy: 1.1119777934819424
Energy: 1.5870683817898008
Energy: 1.3512814903044161
Energy: 1.5870683817902373
Energy: 1.0700369404638665
Energy: 1.6155311413303806
Energy: 1.199557010057375
Energy: 1.6155311413303806
Energy: 1.0700369404637153
Energy: 1.615531141330515
Energy: 1.1115183171920773
Energy: 1.1118755864969532
Energy: 1.1142564774852917
Energy: 1.1118755864965166
Energy: 1.1115183171920773
Energy: 1.1118755864968022
Energy: 1.111756954575924
Energy: 1.1023362005761579
Energy: 1.1117717841680483
Energy: 1.1023362008901971
Energy: 1.111756954575773
Energy: 1.1023362010170281
Energy: 1.1117805919600663
Energy: 1.61405592738151
Energy: 1.2426520740422982
Energy: 1.614055927381359
Energy: 1.111780591959781
Energy: 1.614055927381359
Energy: 1.1118964071609896
Energy: 1.6923761931807797
Energy: 1.244393623860375
Energy: 1.6923761931806287
Energy: 1.1118964071623325
Energy: 1.6923761931807797
Energy: 1.1118933410191107
Energy: 1.154591428388905
Energy: 1.114077527615542
Energy: 1.1545914284461936
Energy: 1.1118933410191107
Energy: 1.154591428376064

minimum gb energy = 1.0700369404637153 eV
minimum distance =  2.29282466584574 Angstroms
sigma value = 11


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

Energy: 1.217710416760094
Energy: 1.4243650816395972
Energy: 1.2477965882492448
Energy: 1.4243650816360314
Energy: 1.217710416760094
Energy: 1.4243650816236988
Energy: 1.6021936038496847
Energy: 1.388781221576635
Energy: 0.9887623024731683
Energy: 1.3887812215761923
Energy: 1.6021936038497955
Energy: 1.3887812215761923
Energy: 1.2281403640616682
Energy: 1.2908409575125528
Energy: 1.050118901744623
Energy: 1.2908409575156883
Energy: 1.2281403640616682
Energy: 1.2908409575146063
Energy: 1.5386666121294805
Energy: 1.15434158974977
Energy: 1.1219795981447223
Energy: 1.1543415897521554
Energy: 1.5386666121294805
Energy: 1.1543415897485774
Energy: 1.0130224572140287
Energy: 1.5164492994402208
Energy: 1.0441663117423237
Energy: 1.5164492994406513
Energy: 1.0130224572140287
Energy: 1.5164492994405405
Energy: 1.1135352653374286
Energy: 1.5290102330443238
Energy: 1.0954752983674465
Energy: 1.5290102330446558
Energy: 1.1135352653375394
Energy: 1.5290102330446558
Energy: 1.0337336923820513
Energy: 1.4001897032258719
Energy: 1.0953527569071448
Energy: 1.4001897032260933
Energy: 1.0337336923820513
Energy: 1.4001897032260933
Energy: 1.328358337588243
Energy: 1.5143771923265306
Energy: 1.103864590927558
Energy: 1.5143771923269609
Energy: 1.328358337588132
Energy: 1.5143771923267517
Energy: 1.323718074769823
Energy: 1.5137241901505656
Energy: 1.1967280102189166
Energy: 1.5137241901514384
Energy: 1.3237180747700443
Energy: 1.5137241901508978
Energy: 1.0348938486843204
Energy: 1.361576603850242
Energy: 1.0952407852241193
Energy: 1.3615766038499222
Energy: 1.0348938486843204
Energy: 1.361576603849701
Energy: 1.1137492861624612
Energy: 1.446436008610987
Energy: 1.0950694215887868
Energy: 1.4464360086110855
Energy: 1.1137492861624612
Energy: 1.4464360086113066
Energy: 1.0140837005669692
Energy: 1.5117106360947232
Energy: 1.091358580288095
Energy: 1.5117106360945018
Energy: 1.0140837005668584
Energy: 1.5117106360949446
Energy: 1.513281369131548
Energy: 1.1590240741957634
Energy: 1.050746654292717
Energy: 1.159024074195874
Energy: 1.5132813691309086
Energy: 1.159024074195874
Energy: 1.2282957155601133
Energy: 1.3933015310092347
Energy: 1.0338386133049817
Energy: 1.3933015310182104
Energy: 1.2282957155601133
Energy: 1.393301531016907
Energy: 1.7010318978971128
Energy: 1.3893156785144307
Energy: 0.9886297968505275
Energy: 1.38931567851432
Energy: 1.7010318978970145
Energy: 1.3893156785142096
Energy: 1.2189304531149463
Energy: 1.4539889494375668
Energy: 1.1248426717731794
Energy: 1.4539889494368046
Energy: 1.2189304531149463
Energy: 1.4539889494373455
Energy: 1.6123633463557674
Energy: 1.3889964729011222
Energy: 1.0177473034642401
Energy: 1.3889964729010114
Energy: 1.6123633463555462
Energy: 1.3889964729010114
Energy: 1.2281705042163422
Energy: 1.223600446883795
Energy: 1.11786041876523
Energy: 1.2236004468830448
Energy: 1.228170504216453
Energy: 1.2236004468831558
Energy: 1.5377710728892162
Energy: 1.2565427880490243
Energy: 1.0926380126082076
Energy: 1.2565427880494546
Energy: 1.537771072888995
Energy: 1.2565427880495654
Energy: 1.0141599762406917
Energy: 1.5127160759845812
Energy: 1.113734951097346
Energy: 1.5127160759842495
Energy: 1.0141599762406917
Energy: 1.5127160759840403
Energy: 1.4759689479882283
Energy: 1.508707910439147
Energy: 1.207914502926143
Energy: 1.508707910439147
Energy: 1.47596894798813
Energy: 1.508707910439147
Energy: 1.0349667667150866
Energy: 1.311863194280101
Energy: 1.0954761980972176
Energy: 1.311863194280101
Energy: 1.0349667667150866
Energy: 1.311863194280101
Energy: 1.3275045827936178
Energy: 1.513335677299452
Energy: 1.0803318211481903
Energy: 1.513335677298911
Energy: 1.327504582792966
Energy: 1.513335677298911
Energy: 0.9896125518013253
Energy: 1.526843971847624
Energy: 1.387951789515485
Energy: 1.5268439718475135
Energy: 0.9896125518013253
Energy: 1.5268439718475135
Energy: 1.0334450674259104
Energy: 1.121408561895779
Energy: 1.0956320794717058
Energy: 1.1214085618951273
Energy: 1.0334450674254676
Energy: 1.1214085618989145
Energy: 1.1153730869574663
Energy: 1.4463048205208058
Energy: 1.095248522491497
Energy: 1.4463048205205842
Energy: 1.1153730869574663
Energy: 1.4463048205210147

minimum gb energy = 0.9886297968505275 eV
minimum distance =  2.26708896180976 Angstroms
sigma value = 41


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

Energy: 1.416274341559419
Energy: 1.392916814718408
Energy: 1.0648444951224874
Energy: 1.3929168147189215
Energy: 1.4162743415593317
Energy: 1.3929168147186695
Energy: 1.5738957733970034
Energy: 1.3099021609297916
Energy: 0.9126430847313406
Energy: 1.309902160929879
Energy: 1.5738957733970902
Energy: 1.3099021609299564
Energy: 0.9721158549660995
Energy: 1.3750340089495003
Energy: 0.9868208978954263
Energy: 1.3750340089496746
Energy: 0.9721158549660995
Energy: 1.375034008949927
Energy: 1.6338683067997433
Energy: 0.9412560403371613
Energy: 0.9131763552481512
Energy: 0.9412560403368221
Energy: 1.6338683067995685
Energy: 0.9412560403367349
Energy: 0.9876691190197374
Energy: 1.141077773553247
Energy: 0.9636644756497736
Energy: 1.1410777735535957
Energy: 0.9876691190197374
Energy: 1.1410777735557278
Energy: 1.2607338430866308
Energy: 1.3454194123632583
Energy: 0.9134302638143974
Energy: 1.345419412229589
Energy: 1.2607338430867085
Energy: 1.3454194122777539
Energy: 0.9129308836993009
Energy: 1.3745014555892017
Energy: 0.9129434499169826
Energy: 1.3745014555893762
Energy: 0.9129308836993009
Energy: 1.3745014555893762
Energy: 1.322328177715182
Energy: 1.3554068173165503
Energy: 0.9824436565766852
Energy: 1.3554068173163758
Energy: 1.322328177715347
Energy: 1.3554068173164633
Energy: 0.9413774314964303
Energy: 1.3063444942619749
Energy: 1.1906072929903644
Energy: 1.3063444942619749
Energy: 0.9413774314964303
Energy: 1.3063444942619749
Energy: 1.274142333959586
Energy: 1.3798812889641137
Energy: 1.2358515333257916
Energy: 1.3798812889639391
Energy: 1.2741423339597606
Energy: 1.3798812889640264
Energy: 1.2738201994859721
Energy: 1.383746582130032
Energy: 1.2353330038751331
Energy: 1.3837465821302064
Energy: 1.273820199485885
Energy: 1.3837465821301191
Energy: 0.9412707519272214
Energy: 1.3695828810102926
Energy: 0.9824927376108205
Energy: 1.3873674361816133
Energy: 0.9412707519274831
Energy: 1.3552398116151332
Energy: 0.9413226973493366
Energy: 1.3866279568275819
Energy: 1.1190977297523672
Energy: 1.3866279568275819
Energy: 0.941322697349424
Energy: 1.386627956827669
Energy: 0.9127014856017519
Energy: 1.3664905253233233
Energy: 0.9132523748443584
Energy: 1.3664905253232358
Energy: 0.9127014856018391
Energy: 1.3664905253232358
Energy: 1.2607298573049732
Energy: 1.3572996460096018
Energy: 0.9129672811224737
Energy: 1.3572996460120827
Energy: 1.2607298573048862
Energy: 1.357299646007218
Energy: 0.9912476234755699
Energy: 1.392856541561464
Energy: 0.9130735398335164
Energy: 1.3928565415612895
Energy: 0.9912476234754053
Energy: 1.3769754173370718
Energy: 1.231619874673103
Energy: 1.3725575538662547
Energy: 0.9634713751737671
Energy: 1.372557553866342
Energy: 1.2316198746731903
Energy: 1.37255755386609
Energy: 0.9712119940308391
Energy: 1.3553625565357843
Energy: 0.9412756487198992
Energy: 1.3553625565357843
Energy: 0.9712119940309264
Energy: 1.3553625565357843
Energy: 1.5740289571711885
Energy: 1.3099161710013827
Energy: 0.9129044923216196
Energy: 1.3099161710010434
Energy: 1.5740289571710238
Energy: 1.3099161710010434
Energy: 1.2359605941786678
Energy: 1.382986487010908
Energy: 1.2738445365817614
Energy: 1.3829864870107433
Energy: 1.2359605977582162
Energy: 1.3875786856379513
Energy: 1.5628016425357898
Energy: 1.3094761328041968
Energy: 0.9522381161554886
Energy: 1.3094761328043618
Energy: 1.5628016425358768
Energy: 1.3094761328042743
Energy: 0.9712370025599494
Energy: 1.3554216385129663
Energy: 0.9416867614239123
Energy: 1.3554216385124624
Energy: 0.9712370025597751
Energy: 1.3554216385126272
Energy: 1.633728607571569
Energy: 0.9414311713439437
Energy: 0.9132539835833141
Energy: 0.9414311732367778
Energy: 1.633728607571656
Energy: 0.941431170499346
Energy: 0.9911096332851249
Energy: 1.2154700966420025
Energy: 1.1014754192947662
Energy: 1.2154700966419152
Energy: 0.9911096332849506
Energy: 1.3836896476020282
Energy: 1.1012629347773444
Energy: 1.3455881079518754
Energy: 0.9886706460059014
Energy: 1.3455881079415641
Energy: 1.1012629347773444
Energy: 1.3455881079679917
Energy: 0.9127362509120641
Energy: 1.3097273096362894
Energy: 1.0725709295902663
Energy: 1.309727307168745
Energy: 0.9127362509121513
Energy: 1.3097272582235095
Energy: 1.329195352967626
Energy: 1.355381466883369
Energy: 0.9713291492671847
Energy: 1.3553814668830202
Energy: 1.3291953529677034
Energy: 1.3553814668835338
Energy: 0.9413299358193212
Energy: 1.2137010572203637
Energy: 1.2315765272607717
Energy: 1.2137010572201894
Energy: 0.9413299358191468
Energy: 1.305950736105097
Energy: 1.2737251219810575
Energy: 1.3805149385199
Energy: 1.2365925940232856
Energy: 1.3805149385198128
Energy: 1.273725121981145
Energy: 1.3805149385198128
Energy: 0.9128853454344142
Energy: 1.3465539830350695
Energy: 1.234811644995107
Energy: 1.3465539830350695
Energy: 0.912885345433823
Energy: 1.3465539830351567
Energy: 0.9412999217685891
Energy: 1.3552288577288352
Energy: 0.9711656819052494
Energy: 1.3552288577288352
Energy: 0.9412999217688508
Energy: 1.3552288577289129
Energy: 0.9414634790163505
Energy: 1.394967582325541
Energy: 1.231647791178108
Energy: 1.394967582325541
Energy: 0.9414634790162633
Energy: 1.394967582325454
Energy: 0.9128479051178152
Energy: 1.3657750778400513
Energy: 0.9887532743186861
Energy: 1.3657750778400513
Energy: 0.9128479051182417
Energy: 1.3657750778400513

minimum gb energy = 0.9126430847313406 eV
minimum distance =  2.23806818959768 Angstroms
sigma value = 33


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

Energy: 1.148642147035414
Energy: 1.1962998877579527
Energy: 1.068170673220273
Energy: 1.196299887757354
Energy: 1.148642147035414
Energy: 1.1962998877579527
Energy: 1.6303431322443962
Energy: 0.8624720746278937
Energy: 0.8092908766935865
Energy: 0.8624720760146383
Energy: 1.6303431322443962
Energy: 0.8624720716719387
Energy: 1.144281579305306
Energy: 1.195935462262235
Energy: 0.8536225246987181
Energy: 1.195935462262235
Energy: 1.144281579305306
Energy: 1.195935462262235
Energy: 1.540843394420641
Energy: 0.836662232255019
Energy: 0.8088225847726117
Energy: 0.8366622320348744
Energy: 1.540843394420641
Energy: 0.8366622322795579
Energy: 0.8477771110200326
Energy: 1.182855095332346
Energy: 0.8339191914152543
Energy: 1.182855095332346
Energy: 0.8477771110200326
Energy: 1.182855095332346
Energy: 1.2659452129109297
Energy: 1.1184991019822137
Energy: 0.8097645440806622
Energy: 1.118499101932564
Energy: 1.2659452129103315
Energy: 1.1184991020025496
Energy: 0.8447261851742253
Energy: 1.1545701272647388
Energy: 0.8106281516391001
Energy: 1.1545701272647388
Energy: 0.8447261851742253
Energy: 1.1545701272647388
Energy: 1.1573567038450507
Energy: 1.1349638005279998
Energy: 0.8586521001711603
Energy: 1.1349638005268028
Energy: 1.1573567038450507
Energy: 1.1349638005303941
Energy: 0.805039236879823
Energy: 1.168736700571413
Energy: 1.0011932951478717
Energy: 1.168736700571413
Energy: 0.805039236879823
Energy: 1.1687367005708282
Energy: 1.0469557251721942
Energy: 1.1691204335749283
Energy: 1.1268230974168638
Energy: 1.1691204335749283
Energy: 1.0469557251721942
Energy: 1.1691204335749283
Energy: 0.8089488680994795
Energy: 1.1668063180196049
Energy: 1.0729305735405326
Energy: 1.1668063180202033
Energy: 0.8089488680994795
Energy: 1.1668063180196049
Energy: 1.3122575976701594
Energy: 1.174316294974094
Energy: 1.1019924945283728
Energy: 1.174316294974094
Energy: 1.3122575976701594
Energy: 1.174316294974094
Energy: 1.0371008790677196
Energy: 1.1798364435845254
Energy: 1.2238277569377816
Energy: 1.1798364435845254
Energy: 1.037100879068318
Energy: 1.1798364435845254
Energy: 1.0540696236547151
Energy: 1.1844071769993176
Energy: 1.2590327524332687
Energy: 1.184407176998719
Energy: 1.0540696236547151
Energy: 1.184407176998719
Energy: 1.052726963239201
Energy: 1.1586299540511078
Energy: 1.2574416400265578
Energy: 1.1586299540511078
Energy: 1.052726963239201
Energy: 1.1586299540511078
Energy: 1.0391761272634694
Energy: 1.174519347827634
Energy: 1.1009227801551282
Energy: 1.174519347827634
Energy: 1.0391761272634694
Energy: 1.1745193478270353
Energy: 1.036326502279169
Energy: 1.1809983404894793
Energy: 1.224470405951085
Energy: 1.1809983404894793
Energy: 1.036326502279169
Energy: 1.1809983404894793
Energy: 0.8103116117452065
Energy: 1.1736061089621634
Energy: 1.1268146227259845
Energy: 1.173606108961565
Energy: 0.8103116117452065
Energy: 1.1736061089621634
Energy: 1.0498088846001665
Energy: 1.1865981344790275
Energy: 1.0729385779730916
Energy: 1.1865981344790275
Energy: 1.0498088846007652
Energy: 1.1865981344790275
Energy: 0.8504285924886922
Energy: 1.1732771054195021
Energy: 0.8589199309861903
Energy: 1.1732771054195021
Energy: 0.8504285924886922
Energy: 1.1732771054195021
Energy: 1.0346091924122516
Energy: 1.176288447626814
Energy: 1.0008723210350046
Energy: 1.1762884476262154
Energy: 1.0346091924122516
Energy: 1.1762884476262154
Energy: 0.852260466077059
Energy: 1.173666611402163
Energy: 0.8095946118405399
Energy: 1.173666611402163
Energy: 0.852260466077059
Energy: 1.173666611402163
Energy: 1.2653047195313578
Energy: 1.169268274307854
Energy: 0.8103662612070056
Energy: 1.169268274307854
Energy: 1.2653047195313578
Energy: 1.169268274307854
Energy: 0.8468897005417508
Energy: 1.1729666818302305
Energy: 0.809425658787264
Energy: 1.1729666818302305
Energy: 0.8468897005441449
Energy: 1.1729666818302305
Energy: 1.2576536512903398
Energy: 1.1542332085666245
Energy: 0.9933249467827754
Energy: 1.1542332085660263
Energy: 1.2576536512897412
Energy: 1.1542332085660263
Energy: 1.1307472805254442
Energy: 1.174781311135412
Energy: 0.8255592953639873
Energy: 1.174781311135412
Energy: 1.1307472805254442
Energy: 1.1747813111360104
Energy: 1.50142729847904
Energy: 0.9818369849891255
Energy: 0.8100820867043149
Energy: 0.9818369849891255
Energy: 1.5014272984784416
Energy: 0.981836984988527
Energy: 1.1375104801531546
Energy: 1.1875571439196855
Energy: 1.0535767994228513
Energy: 1.1875571439178898
Energy: 1.1375104801531546
Energy: 1.1875571439184884
Energy: 1.379674652994661
Energy: 1.1625366603194858
Energy: 0.9418218721458373
Energy: 1.1625366603194858
Energy: 1.379674652994661
Energy: 1.1625366603200844
Energy: 1.1308114473445987
Energy: 1.1749408042590546
Energy: 1.07103861223154
Energy: 1.174940804259653
Energy: 1.1308114473445987
Energy: 1.1749408042530693
Energy: 1.3937597744904116
Energy: 0.8351545174917041
Energy: 0.810250036451707
Energy: 0.8351545181467784
Energy: 1.3937597744904116
Energy: 0.8351545177244175
Energy: 0.8467091664530509
Energy: 1.1692851647863742
Energy: 1.0678137180992988
Energy: 1.1692851647869729
Energy: 0.8467091664530509
Energy: 1.1692851647863742
Energy: 1.1509745735864314
Energy: 1.1735048839860667
Energy: 0.850183184511096
Energy: 1.1735048839860667
Energy: 1.1509745735864314
Energy: 1.1735048839860667
Energy: 0.8517300776681545
Energy: 1.134693091089457
Energy: 1.3078212744155082
Energy: 1.1346930910876751
Energy: 0.8517300776681545
Energy: 1.1346930911199677
Energy: 1.307753277569886
Energy: 1.1348652707496623
Energy: 0.8446533112337475
Energy: 1.1348652707454725
Energy: 1.307753277569886
Energy: 1.1348652707454725
Energy: 0.850196269319892
Energy: 1.1736221175062598
Energy: 1.151105851146484
Energy: 1.1736221175062598
Energy: 0.850196269319892
Energy: 1.1736221175062598
Energy: 1.067733261164493
Energy: 1.1691480028269066
Energy: 0.8472725071783819
Energy: 1.1691480028269066
Energy: 1.067733261164493
Energy: 1.1691480028269066
Energy: 0.8101440672677442
Energy: 0.8359238729487906
Energy: 1.3936959189479352
Energy: 0.8359238729553605
Energy: 0.8101440672677442
Energy: 0.8359238729846742
Energy: 1.0710386122327369
Energy: 1.1748605154914031
Energy: 1.1305987708871024
Energy: 1.1748605143978081
Energy: 1.0710386122327369
Energy: 1.1748605159975154
Energy: 1.041431347983052
Energy: 1.1624933180273231
Energy: 1.3798095983785787
Energy: 1.1624933180273231
Energy: 1.041431347983052
Energy: 1.1624933180273231
Energy: 1.0537026682601616
Energy: 1.1913050493546198
Energy: 1.1377768833004485
Energy: 1.1913050493546198
Energy: 1.0537026682601616
Energy: 1.1913050493540212
Energy: 0.8100769410483472
Energy: 0.983392659041779
Energy: 1.501436883636526
Energy: 0.9833926590411805
Energy: 0.8100769410483472
Energy: 0.983392659041779
Energy: 0.8255039930445266
Energy: 1.1747660692475126
Energy: 1.1234363681523956
Energy: 1.1747660692475126
Energy: 0.8255039930445266
Energy: 1.1747660692475126
Energy: 1.041085190994734
Energy: 1.1551507144943567
Energy: 1.2577122192369172
Energy: 1.1551507144943567
Energy: 1.041085190994734
Energy: 1.155150714494955
Energy: 0.8100279551513457
Energy: 1.1730066456583497
Energy: 0.8472991228670942
Energy: 1.1730066456583497
Energy: 0.8100279551477683
Energy: 1.1730066456583497
Energy: 0.810286343153254
Energy: 1.169268274307854
Energy: 1.268487125878615
Energy: 1.169268274307854
Energy: 0.810286343153254
Energy: 1.169268274307854
Energy: 0.8095877943116372
Energy: 1.173554744534073
Energy: 0.8501713642263646
Energy: 1.173554744534073
Energy: 0.8095877943110386
Energy: 1.173554744534073

minimum gb energy = 0.805039236879823 eV
minimum distance =  2.30258663522439 Angstroms
sigma value = 67


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

Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 0.9001331638460165
Energy: 0.27421032855986816
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 0.2778389462159204
Energy: 0.6943720358940708
Energy: 0.5850849399028446
Energy: 0.6943720358940708
Energy: 0.2778389462159204
Energy: 0.6943720358940708
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 0.9001331638460165
Energy: 0.27421032855986816
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 0.27783894621552263
Energy: 0.6943720358940708
Energy: 0.5850849382579447
Energy: 0.6943720358940708
Energy: 0.27783894621552263
Energy: 0.6943720358940708
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 1.2598116160078752
Energy: 0.27421032855986816
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 0.2778389462159204
Energy: 0.6943720358940708
Energy: 0.5850849389432505
Energy: 0.6943720358940708
Energy: 0.27783894621552263
Energy: 0.6943720358940708
Energy: 0.27399647010832723
Energy: 0.27421032855986816
Energy: 1.5488046929509782
Energy: 0.27421032855986816
Energy: 0.27399647010832723
Energy: 0.27421032855986816

minimum gb energy = 0.27399647010832723 eV
minimum distance =  2.45075641363942 Angstroms
sigma value = 3


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

Energy: 1.3094219154851092
Energy: 1.0964162359156537
Energy: 0.9658327011083386
Energy: 1.0964162359156537
Energy: 1.3094219154840205
Energy: 1.0964162359151093
Energy: 1.6068500142852982
Energy: 0.8312549032209162
Energy: 0.8143632750811797
Energy: 0.8312549032220048
Energy: 1.606850014286387
Energy: 0.8312549032220048
Energy: 1.1903360997959054
Energy: 1.0831239106755897
Energy: 0.9661449752713449
Energy: 1.0831239106761337
Energy: 1.1903360997991714
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Energy: 0.8012201391090082
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Energy: 0.8012201391046535
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Energy: 0.8012201391100969
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Energy: 1.075348598283266
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Energy: 1.0235221109313424
Energy: 1.4040361415922975
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Energy: 0.8666339745866728
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Energy: 0.8255897746500303
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Energy: 1.0807370744324696
Energy: 0.8255897746500303
Energy: 1.0821062155479069
Energy: 0.8007201949357864
Energy: 1.0536350158104073
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Energy: 0.8669814055668764
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Energy: 0.8669814055668764
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Energy: 1.0761378373312893
Energy: 1.0444890167435317
Energy: 1.079869186253493
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Energy: 0.8008753157572651
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Energy: 0.8063367394595368
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Energy: 1.0749626621675985
Energy: 0.8096504319138899
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Energy: 1.045308180792771
Energy: 1.0749626621675985
Energy: 1.2715612875537323
Energy: 1.073047038845144
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Energy: 1.2715612875537323
Energy: 1.0730470388456885
Energy: 1.272699040984319
Energy: 1.0863276469924255
Energy: 0.8032009686233542
Energy: 1.08718919530705
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Energy: 1.0815231100419656
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Energy: 1.0734407625108562
Energy: 0.9817853241986477
Energy: 1.0734407625108562
Energy: 1.2704499306110852
Energy: 1.0734407625108562
Energy: 1.2811285391990457
Energy: 1.0733867688734802
Energy: 0.8202329395963363
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Energy: 1.2811285391990457
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Energy: 1.5031490659276268
Energy: 1.0761753619795353
Energy: 0.8122107336772858
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Energy: 1.5031490659270823
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Energy: 1.0868167424022088
Energy: 1.0366360179297112
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Energy: 1.0868167424022088
Energy: 1.270388986392511
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Energy: 0.8039856427111869
Energy: 1.0507502884446733
Energy: 1.270388986392511
Energy: 1.0507502884435846
Energy: 1.0456303132710105
Energy: 1.0711239508593489
Energy: 0.825349822641315
Energy: 1.0711239508593489
Energy: 1.0456303132715548
Energy: 1.0711239508593489
Energy: 1.2716605669044985
Energy: 1.0763242662048835
Energy: 0.811089261944862
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Energy: 1.2716605669044985
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Energy: 1.0395519006814815
Energy: 1.0632724124235056
Energy: 1.03202275797375
Energy: 1.063272412422961
Energy: 1.0395519006814815
Energy: 1.0632724124235056
Energy: 1.037777870685195
Energy: 1.053643093412649
Energy: 0.8132416846201257
Energy: 1.053643093412649
Energy: 1.037777870685195
Energy: 1.0536430934121048
Energy: 0.805566512747389
Energy: 1.0519198234424867
Energy: 1.0414326485713845
Energy: 1.0519198234430311
Energy: 0.805566512747389
Energy: 1.0519198234430311
Energy: 1.0416777254673029
Energy: 1.0733947017530738
Energy: 1.0410216359555147
Energy: 1.0733947017536183
Energy: 1.0416777254673029
Energy: 1.0733947017530738
Energy: 0.8027774097281746
Energy: 0.9954452226769894
Energy: 1.2579656890671558
Energy: 0.9954452226769894
Energy: 0.8027774097281746
Energy: 0.9954452226769894
Energy: 0.8012558457199473
Energy: 1.0495382024972122
Energy: 1.0451547499672154
Energy: 1.0495382024972122
Energy: 0.8012558457199473
Energy: 1.0495382024972122
Energy: 0.8180318610709875
Energy: 1.01318603107877
Energy: 1.2714370677166642
Energy: 1.01318603107877
Energy: 0.8180318610709875
Energy: 1.0131860310782257
Energy: 0.8087852255356838
Energy: 1.0742529683710758
Energy: 1.2709627876143945
Energy: 1.0742529683705317
Energy: 0.8087852255356838
Energy: 1.0742529683710758
Energy: 0.8026340109030349
Energy: 0.8269243781935519
Energy: 1.4086114331387574
Energy: 0.8269243781935519
Energy: 0.8026340109030349
Energy: 0.8269243781935519
Energy: 0.827502245642341
Energy: 1.086756865427395
Energy: 1.279502185904236
Energy: 1.086756865427395
Energy: 0.827502245642341
Energy: 1.0867568654279391
Energy: 0.8180479935076282
Energy: 0.8357865113678163
Energy: 1.4023084652144595
Energy: 0.8357865113678163
Energy: 0.8180479935076282
Energy: 0.8357865113678163
Energy: 0.849896266236545
Energy: 1.0740281001717054
Energy: 1.2716884729561921
Energy: 1.0740281001722498
Energy: 0.849896266236545
Energy: 1.0740281001717054
Energy: 0.8021054837811872
Energy: 0.8246182218200343
Energy: 1.435653038238868
Energy: 0.8246182218205786
Energy: 0.8021054837811872
Energy: 0.8246182218205786
Energy: 0.8378844269869381
Energy: 1.0502220022568427
Energy: 1.0440546873943375
Energy: 1.0502220022568427
Energy: 0.8378844269869381
Energy: 1.0502220022562985
Energy: 0.8137896616056033
Energy: 0.8099914504944826
Energy: 1.211080472878705
Energy: 0.8099914504944826
Energy: 0.8137896616061475
Energy: 0.8099914504955714
Energy: 1.0626981410821115
Energy: 1.046932992092948
Energy: 1.0399829645686742
Energy: 1.0469329920934924
Energy: 1.0626981410815672
Energy: 1.046932992092948

minimum gb energy = 0.8006302061872099 eV
minimum distance =  2.29195501984699 Angstroms
sigma value = 81


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

Energy: 1.284377715092613
Energy: 1.2512709091370047
Energy: 1.0743667979106926
Energy: 1.2512709091384988
Energy: 1.284377715092613
Energy: 1.251270909136258
Energy: 1.547118195457335
Energy: 0.9483651653573584
Energy: 0.8921439157299321
Energy: 0.9483651653536228
Energy: 1.547118195457335
Energy: 0.9483651653551172
Energy: 1.2629550183553655
Energy: 1.2372025062513565
Energy: 1.0742110619241592
Energy: 1.2372025062513565
Energy: 1.2629550183598313
Energy: 1.2372025062513565
Energy: 1.416379929743527
Energy: 0.9082313040174979
Energy: 0.8922264751516298
Energy: 0.9082313040174979
Energy: 1.4163799297442743
Energy: 0.9082313040174979
Energy: 0.9197012551953334
Energy: 0.8923692981056939
Energy: 0.9198506225900132
Energy: 0.892369298107188
Energy: 0.9197012551953334
Energy: 0.8923692981273595
Energy: 1.231430540929804
Energy: 1.0575269078886174
Energy: 0.8932471326284697
Energy: 1.0575269078893645
Energy: 1.231430540929804
Energy: 1.0575269078893645
Energy: 0.9113743665933258
Energy: 0.9065157287082827
Energy: 1.0851999130646912
Energy: 0.9065157287082827
Energy: 0.9113743665933258
Energy: 0.9065157287075355
Energy: 0.9248116135627746
Energy: 0.8921410004354887
Energy: 0.90678692550651
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Energy: 0.9248116135635218
Energy: 0.8921410004325003
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Energy: 0.8928094839433816
Energy: 1.2591323696073276
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Energy: 0.8921924710307595
Energy: 0.8928094839433816
Energy: 0.946522568827847
Energy: 1.2236174763315353
Energy: 1.231330458410066
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Energy: 0.9465225688270998
Energy: 1.2236174763315353
Energy: 0.9064240771154889
Energy: 0.9071459374823625
Energy: 1.4202496787638028
Energy: 0.9071459376361969
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Energy: 0.9071459372620703
Energy: 0.9274055904358092
Energy: 1.2372785193695144
Energy: 1.2518668349536444
Energy: 1.2372785193695144
Energy: 0.9274055904350621
Energy: 1.2372785193695144
Energy: 0.8923660293612368
Energy: 1.2102782644876195
Energy: 1.3664613584442675
Energy: 1.2102782644876195
Energy: 0.8923660293612368
Energy: 1.2102782644876195
Energy: 0.9067349296498693
Energy: 1.2235072019696878
Energy: 1.2303041028349784
Energy: 1.2235072019696878
Energy: 0.9067349296498693
Energy: 1.2235072019696878
Energy: 0.9064165287535814
Energy: 1.208946267976951
Energy: 1.23438196586895
Energy: 1.208946267976951
Energy: 0.9064165287535814
Energy: 1.208946267976951
Energy: 0.892831188599377
Energy: 1.237066578873105
Energy: 0.9067092843537783
Energy: 1.237066578873105
Energy: 0.892831188599377
Energy: 1.237066578873105
Energy: 0.8924476395876525
Energy: 1.170282521922524
Energy: 1.0420597937787566
Energy: 1.1702825219217767
Energy: 0.8924476395876525
Energy: 1.1702825219217767
Energy: 1.2346262697959751
Energy: 1.2238575368667672
Energy: 0.8932004190871292
Energy: 1.2238575368667672
Energy: 1.2346262697959751
Energy: 1.2238575368667672
Energy: 1.2345883256820305
Energy: 1.2350970548869078
Energy: 0.9065161720048177
Energy: 1.2350970548869078
Energy: 1.2345883256820305
Energy: 1.2350970548869078
Energy: 1.2311500652631677
Energy: 1.237181960312736
Energy: 0.8922667388610523
Energy: 1.237181960312736
Energy: 1.2311500652631677
Energy: 1.237181960312736
Energy: 1.2309360185016913
Energy: 1.2230340072162258
Energy: 1.0425812435311697
Energy: 1.2230340072169728
Energy: 1.2309360185016913
Energy: 1.2230340072169728
Energy: 1.5629838983194182
Energy: 1.2243562397267198
Energy: 0.9068213055023402
Energy: 1.2243562397267198
Energy: 1.5629838983194182
Energy: 1.2243562397267198
Energy: 1.5628767813120348
Energy: 1.224318976694076
Energy: 0.9070176776968454
Energy: 1.224318976694076
Energy: 1.5628767813127822
Energy: 1.224318976694076
Energy: 1.2309593395727887
Energy: 1.2228427695013666
Energy: 1.2034066577731244
Energy: 1.2228427695013666
Energy: 1.2309593395727887
Energy: 1.2228427695013666
Energy: 1.231069747850858
Energy: 1.2371716660529828
Energy: 0.8922280794534106
Energy: 1.2371716660529828
Energy: 1.231069747850858
Energy: 1.2371716660529828
Energy: 1.2345821855089576
Energy: 1.235120596260969
Energy: 0.9065927659685165
Energy: 1.235120596260969
Energy: 1.2345821855089576
Energy: 1.235120596260969
Energy: 1.2347966024293762
Energy: 1.2237774963123282
Energy: 0.8924883659744518
Energy: 1.2237774963123282
Energy: 1.2347966024293762
Energy: 1.2237774963123282
Energy: 0.8923841187647341
Energy: 1.170875464593249
Energy: 1.1993859815318317
Energy: 1.170875464593249
Energy: 0.8923841187647341
Energy: 1.170875464593249
Energy: 0.8928188657973147
Energy: 1.2371548745132481
Energy: 0.9041567597795156
Energy: 1.237154874518478
Energy: 0.8928188657973147
Energy: 1.237154874511754
Energy: 0.9064175851771267
Energy: 1.208946267976951
Energy: 1.234394929440349
Energy: 1.208946267976951
Energy: 0.9064175851771267
Energy: 1.2089462679762037
Energy: 0.906706496040631
Energy: 1.2236031692607205
Energy: 1.2307297261619907
Energy: 1.2236031692599734
Energy: 0.906706496040631
Energy: 1.2236031692599734
Energy: 0.8923066951063677
Energy: 1.210272946510161
Energy: 1.5103589008998644
Energy: 1.210272946510161
Energy: 0.8923066951063677
Energy: 1.210272946510161
Energy: 0.9275056817964747
Energy: 1.2372282100580554
Energy: 1.2521884150697316
Energy: 1.2372282100580554
Energy: 0.9275056817964747
Energy: 1.2372282100580554
Energy: 0.9063976886910133
Energy: 0.9069793967872777
Energy: 1.4197759383126483
Energy: 0.9069793967880247
Energy: 0.9063976886910133
Energy: 0.9069793967917603
Energy: 0.9465225688270998
Energy: 1.2239722394661388
Energy: 1.2303405767843862
Energy: 1.2239722394661388
Energy: 0.9465225688270998
Energy: 1.2239722394668855
Energy: 0.892228094162492
Energy: 0.8925022785208405
Energy: 1.3975225493815737
Energy: 0.8925022785215877
Energy: 0.8922280941617449
Energy: 0.8925022785208405
Energy: 0.924871457768365
Energy: 0.8922709082870766
Energy: 0.9055730616325736
Energy: 0.8922709088889665
Energy: 0.9248714577661237
Energy: 0.8922709084476349
Energy: 0.9123933474626692
Energy: 0.9066000734652349
Energy: 1.0852365750433024
Energy: 0.9066000734644877
Energy: 0.9123933474626692
Energy: 0.9066000734644877

minimum gb energy = 0.8921410004325003 eV
minimum distance =  2.29253520722538 Angstroms
sigma value = 43


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

Energy: 1.421726902941883
Energy: 1.3618474019049949
Energy: 1.0165615333188944
Energy: 1.3618474019049949
Energy: 1.4217269029420603
Energy: 1.361847401904901
Energy: 1.5846885903155918
Energy: 1.0445963927246202
Energy: 0.9524753312931902
Energy: 1.0445963927245265
Energy: 1.584688590315133
Energy: 1.0445963927242554
Energy: 0.9935531090286469
Energy: 0.9524033598759609
Energy: 1.1504676662066784
Energy: 0.9524033598759609
Energy: 0.9935531090287405
Energy: 0.9524033598759609
Energy: 1.394526378312309
Energy: 0.9734323249863761
Energy: 0.9525124916787908
Energy: 0.9734323249862822
Energy: 1.3945263783122253
Energy: 0.9734323249865637
Energy: 0.974199384108606
Energy: 0.9729580738572364
Energy: 0.9891453348566166
Energy: 0.9729580738330222
Energy: 0.974199384108606
Energy: 0.9729580740598658
Energy: 0.973094033593341
Energy: 1.3034540252400137
Energy: 0.9522232244320005
Energy: 1.3034540252399198
Energy: 0.9730940335935289
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Energy: 0.9526956352763352
Energy: 0.9527614589584943
Energy: 1.2001451785273183
Energy: 0.9527614589592242
Energy: 0.9526956352764291
Energy: 0.9527614589595058
Energy: 1.026876761116106
Energy: 0.9524333983303159
Energy: 0.9906423864541124
Energy: 0.9524333983255503
Energy: 1.0268767611160121
Energy: 0.9524333983287622
Energy: 0.9729263994937626
Energy: 0.9729598868884078
Energy: 1.504129254238822
Energy: 0.9729598868885017
Energy: 0.9729263994938461
Energy: 0.9729598868882305
Energy: 0.9730827468457444
Energy: 1.339828322452483
Energy: 1.3868731538912944
Energy: 1.3398283224527647
Energy: 0.9730827468460154
Energy: 1.3398283224527647
Energy: 0.9528478014297153
Energy: 1.3410713837019421
Energy: 1.3887379598481555
Energy: 1.3410713837020256
Energy: 0.9528478014296213
Energy: 1.3410713837020256
Energy: 0.9733121816297727
Energy: 0.95247428170088
Energy: 0.9904028458050277
Energy: 0.9524742817015265
Energy: 0.9733121816297727
Energy: 0.9524742817010676
Energy: 0.9728917434588124
Energy: 0.9729996858343737
Energy: 1.2549875948411942
Energy: 0.9729996858343737
Energy: 0.9728917434588124
Energy: 0.972999685834186
Energy: 0.9528616172968924
Energy: 1.3446942363712224
Energy: 0.9522259409904371
Energy: 1.3446942363710348
Energy: 0.9528616172968924
Energy: 1.3446942363711285
Energy: 0.9530367004131258
Energy: 1.3035654778546912
Energy: 0.9732421786983868
Energy: 1.3035654778545034
Energy: 0.9530367004131258
Energy: 1.3035654778545034
Energy: 1.3889525973091008
Energy: 0.952559853138526
Energy: 0.9524576199019479
Energy: 0.952559853138161
Energy: 1.3889525973089236
Energy: 0.9525598531384323
Energy: 1.3891198557305755
Energy: 1.283908525120515
Energy: 1.2573355648960496
Energy: 1.283908525120421
Energy: 1.3891198557305755
Energy: 1.283908525120515
Energy: 1.3877298408128949
Energy: 1.3445838144938305
Energy: 0.9730377664765703
Energy: 1.3445838144938305
Energy: 1.3877298408127177
Energy: 1.3445838144938305
Energy: 1.3877990463582937
Energy: 1.345167006672306
Energy: 0.9729862195137664
Energy: 1.345167006672306
Energy: 1.3877990463582937
Energy: 1.3451670066722121
Energy: 1.3888216059233514
Energy: 1.3411990583603972
Energy: 0.95245792604783
Energy: 1.3411990583603972
Energy: 1.3888216059233514
Energy: 1.3411990583603033
Energy: 1.3892107809207483
Energy: 1.353283465143553
Energy: 0.9523332579070121
Energy: 1.353283465143553
Energy: 1.389210780920832
Energy: 1.353283465143553
Energy: 0.9533528861840818
Energy: 1.3034552788846645
Energy: 0.972830166234753
Energy: 1.303455278884487
Energy: 0.9533528861839878
Energy: 1.303455278884487
Energy: 0.9533158116256284
Energy: 1.3451301081216998
Energy: 0.9523375368504726
Energy: 1.3451301081216998
Energy: 0.9533158116256284
Energy: 1.3451301081216998
Energy: 0.9733393786673529
Energy: 1.3035652706856493
Energy: 0.9524636513020511
Energy: 1.3035652706856493
Energy: 0.9733393786672695
Energy: 1.303565270685743
Energy: 0.9731058525080499
Energy: 1.3602948552430496
Energy: 0.9830924321915192
Energy: 1.3602948552430496
Energy: 0.9731058525080499
Energy: 1.360294855242966
Energy: 0.9535583871149729
Energy: 1.341190003068387
Energy: 1.3892430138857432
Energy: 1.341190003068293
Energy: 0.9535583871148791
Energy: 1.341190003068293
Energy: 0.9728682972959459
Energy: 1.3404393404863055
Energy: 1.387061159964105
Energy: 1.3404393404863055
Energy: 0.9728682972961337
Energy: 1.3404393404863055
Energy: 0.9737408970949717
Energy: 1.323215560017763
Energy: 1.2128385623594866
Energy: 1.3232155600174922
Energy: 0.9737408970948778
Energy: 1.323215560017221
Energy: 1.026646113019758
Energy: 0.9524455909022063
Energy: 0.9830458948147193
Energy: 0.9524455909017474
Energy: 1.0266461130193931
Energy: 0.9524455909016535
Energy: 0.9537561714384625
Energy: 0.9528854797985866
Energy: 1.199273598166287
Energy: 0.9528854797987744
Energy: 0.9537561714384625
Energy: 0.9528854797984928
Energy: 1.2235757874325301
Energy: 1.3035704281605183
Energy: 0.9522117110343982
Energy: 1.3035704281605183
Energy: 1.2235757874325301
Energy: 1.303570428160612

minimum gb energy = 0.9522117110343982 eV
minimum distance =  2.28708864260058 Angstroms
sigma value = 57


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

Energy: 1.094283353386391
Energy: 1.0300794839733542
Energy: 1.1205978799129885
Energy: 1.0300794839735836
Energy: 1.094283353386391
Energy: 1.0300794839729899
Energy: 1.3554414076712729
Energy: 1.1457585636786525
Energy: 1.0294015056539627
Energy: 1.145758563678531
Energy: 1.3554414076716375
Energy: 1.145758563678531
Energy: 1.0509286211866096
Energy: 1.049251763793939
Energy: 1.2440773593129075
Energy: 1.049251764014011
Energy: 1.0509286211866096
Energy: 1.0492517640186427
Energy: 1.0648720673710912
Energy: 1.0495856017931195
Energy: 1.0293403884754548
Energy: 1.0495856017929979
Energy: 1.0648720673710912
Energy: 1.0495856017928762
Energy: 1.0297230633632668
Energy: 1.0701528876259099
Energy: 1.0717654299674075
Energy: 1.0701528876260316
Energy: 1.0297230633632668
Energy: 1.0701528876261532
Energy: 1.065439085133825
Energy: 1.4852408038539764
Energy: 1.0294035624117457
Energy: 1.4852408038545704
Energy: 1.0654390851335818
Energy: 1.4852408038546918
Energy: 1.0491349347554024
Energy: 1.0495819275564249
Energy: 1.3553751786278958
Energy: 1.0495819275693736
Energy: 1.0491349347554024
Energy: 1.049581927566754
Energy: 1.068926082652708
Energy: 1.4678008234788165
Energy: 1.0851836642460435
Energy: 1.4678008234790596
Energy: 1.0689260826525864
Energy: 1.4678008234788165
Energy: 1.029924476446059
Energy: 1.1451459300469622
Energy: 1.2027798617204701
Energy: 1.1451459300472053
Energy: 1.0299244764461803
Energy: 1.1451459300472053
Energy: 1.0490422890780333
Energy: 1.4852401734476013
Energy: 1.0298354922500714
Energy: 1.4842003765951846
Energy: 1.0490422890781548
Energy: 1.4852401734474798
Energy: 1.0492230982695288
Energy: 1.0492435148673436
Energy: 1.0492386449443363
Energy: 1.0492435148671009
Energy: 1.0492230982694073
Energy: 1.0492435148671009
Energy: 1.0296933983600662
Energy: 1.2719127210243784
Energy: 1.029266041603784
Energy: 1.2719127210243784
Energy: 1.0296933983597152
Energy: 1.2719127210243784
Energy: 1.030068111385132
Energy: 1.51474511251841
Energy: 1.1211072151436474
Energy: 1.51474511251841
Energy: 1.030068111385132
Energy: 1.5147451125180456
Energy: 1.6973152889096987
Energy: 1.0497509970294814
Energy: 1.0491695583656728
Energy: 1.514568994361016
Energy: 1.6973152889096987
Energy: 1.0497509970404046
Energy: 1.6341073545161726
Energy: 1.4674099613799034
Energy: 1.0491378216839178
Energy: 1.467409961380133
Energy: 1.634107354516051
Energy: 1.467409961380133
Energy: 1.0294436105237004
Energy: 1.5262780762137467
Energy: 1.029341393304687
Energy: 1.526278076213625
Energy: 1.0294436105241862
Energy: 1.526278076213625
Energy: 1.0303296773161896
Energy: 1.2721707050514532
Energy: 1.0493657326925034
Energy: 1.272170705051683
Energy: 1.0303296773161896
Energy: 1.272170705051683
Energy: 1.0490729068515543
Energy: 1.3671869858449266
Energy: 1.0490891878301367
Energy: 1.5262543517000497
Energy: 1.0490729068516624
Energy: 1.3671869858445755
Energy: 1.0492560095968788
Energy: 1.272219762360455
Energy: 1.0302483385009322
Energy: 1.2722197623603333
Energy: 1.049256009596987
Energy: 1.2722197623603333
Energy: 1.0294184561805324
Energy: 1.52634373804938
Energy: 1.0295882259095432
Energy: 1.526343738049731
Energy: 1.0294184561804107
Energy: 1.5263437380492584
Energy: 1.049439835620015
Energy: 1.4674757835396934
Energy: 1.6340453260668217
Energy: 1.4674757835398151
Energy: 1.0494398356197856
Energy: 1.4674757835398151
Energy: 1.049230073872815
Energy: 1.2967276262010323
Energy: 1.6973059847366938
Energy: 1.2967276262010323
Energy: 1.0492300738726936
Energy: 1.2967276262010323
Energy: 1.0997184705633185
Energy: 1.5148124132754444
Energy: 1.0301084862610934
Energy: 1.514812413275566
Energy: 1.0997184705632108
Energy: 1.5148124132754444
Energy: 1.029719444744452
Energy: 1.2719165776288246
Energy: 1.0296606978430873
Energy: 1.2719165776288246
Energy: 1.0297194447434932
Energy: 1.2719165776285817

minimum gb energy = 1.029266041603784 eV
minimum distance =  2.29537863257305 Angstroms
sigma value = 17


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

Energy: 1.1316777954324997
Energy: 1.1311120488590825
Energy: 1.1460411522669904
Energy: 1.1311120488589201
Energy: 1.1316777954323374
Energy: 1.1311120488590825
Energy: 1.1745949743325588
Energy: 1.14624836438504
Energy: 1.1457878910352892
Energy: 1.1462483643852117
Energy: 1.174594974332387
Energy: 1.14624836438504
Energy: 1.1676253158414909
Energy: 1.1579472650333522
Energy: 1.146370255414963
Energy: 1.1579472650333522
Energy: 1.1676253158414909
Energy: 1.15794726503319
Energy: 1.184670627982926
Energy: 1.1462091422528156
Energy: 1.1458792787567347
Energy: 1.1462091422528156
Energy: 1.184670627982926
Energy: 1.1462091422528156
Energy: 1.1458977798468475
Energy: 1.1465554469824035
Energy: 1.1744621196855254
Energy: 1.1465554469824035
Energy: 1.1458977798468475
Energy: 1.1465554469824035
Energy: 1.1767360951985977
Energy: 1.1328596985136474
Energy: 1.1330553903366496
Energy: 1.1328596985134851
Energy: 1.17673609519876
Energy: 1.1328596985136474
Energy: 1.1596629539803942
Energy: 1.319303214767113
Energy: 1.174385271749358
Energy: 1.319303214767619
Energy: 1.159662953980222
Energy: 1.319303214767619
Energy: 1.146205426609543
Energy: 1.2584766890231849
Energy: 1.1458367682686732
Energy: 1.2584766890231849
Energy: 1.1462054266097148
Energy: 1.258476689023357
Energy: 1.1459525533226318
Energy: 1.1464060233281554
Energy: 1.2899902079402636
Energy: 1.1464060233281554
Energy: 1.1459525533226318
Energy: 1.1464060233281554
Energy: 1.3469312802742945
Energy: 1.1199243050496794
Energy: 1.1458120581262767
Energy: 1.119924305049851
Energy: 1.3469312802744569
Energy: 1.1199243050496794
Energy: 1.130275015816356
Energy: 1.4758823005708848
Energy: 1.1561710085149666
Energy: 1.4758823005708848
Energy: 1.130275015816356
Energy: 1.4758823005708848
Energy: 1.1462010610149183
Energy: 1.1461632118385854
Energy: 1.1575855435765252
Energy: 1.1461632118385854
Energy: 1.1462010610145745
Energy: 1.1461632118385854
Energy: 1.1460411177811245
Energy: 1.259100286706874
Energy: 1.1464927922000514
Energy: 1.259100286706874
Energy: 1.1460411177812961
Energy: 1.2591002867067023
Energy: 1.1567626106646303
Energy: 1.1462359401440128
Energy: 1.1458575951299115
Energy: 1.1462359401440128
Energy: 1.1567626106648021
Energy: 1.146235940144347
Energy: 1.146217223972098
Energy: 1.4900357847676715
Energy: 1.1300596312371307
Energy: 1.4900357847678432
Energy: 1.1462172239719262
Energy: 1.4900357847676715
Energy: 1.1568205851176203
Energy: 1.4812060774003266
Energy: 1.1295812053675272
Energy: 1.4812060774003266
Energy: 1.1568205851177922
Energy: 1.481206077400489
Energy: 1.1561402455700482
Energy: 1.1462875797680736
Energy: 1.1459530091677232
Energy: 1.146287579768236
Energy: 1.1561402455702199
Energy: 1.1462875797680736

minimum gb energy = 1.1199243050496794 eV
minimum distance =  2.29435528232608 Angstroms
sigma value = 17


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

Energy: 1.6132249663371574
Energy: 1.6963372018154856
Energy: 1.2693505864985841
Energy: 1.6963372018154856
Energy: 1.6132249663371574
Energy: 1.6963372018154856
Energy: 1.4316467379265627
Energy: 1.181935884489524
Energy: 1.162166033922255
Energy: 1.181935884489524
Energy: 1.4316467379265627
Energy: 1.181935884489524
Energy: 1.1542669608310032
Energy: 1.2263993834331384
Energy: 1.4047033946800231
Energy: 1.2263993834337872
Energy: 1.154266960831652
Energy: 1.2263993834331384
Energy: 1.2159127296950751
Energy: 1.6077043781775582
Energy: 1.2246202436974207
Energy: 1.6077043781775582
Energy: 1.215912729694441
Energy: 1.607704378178207
Energy: 1.1616529263870927
Energy: 1.2234190684011748
Energy: 1.4366260095385912
Energy: 1.2234190684011748
Energy: 1.1616529263870927
Energy: 1.2234190684018238
Energy: 1.2483384087408775
Energy: 1.6028914806236314
Energy: 1.2392931745285203
Energy: 1.6028914806236314
Energy: 1.2483384087408775
Energy: 1.6028914806229824
Energy: 1.1627079162544283
Energy: 1.2474437596821484
Energy: 1.4677937073873106
Energy: 1.2474437596814996
Energy: 1.1627079162544283
Energy: 1.2474437596821484
Energy: 1.4018002350301584
Energy: 1.3685828355546932
Energy: 1.161092494554323
Energy: 1.3685828355546932
Energy: 1.4018002350301584
Energy: 1.3685828355546932
Energy: 1.2447595466281558
Energy: 1.6026841309786377
Energy: 1.193536492273491
Energy: 1.6026841309786377
Energy: 1.2447595466281558
Energy: 1.6026841309786377
Energy: 1.599002436455525
Energy: 1.2232245694685882
Energy: 1.1610766186697037
Energy: 1.2323053065479983
Energy: 1.599002436455525
Energy: 1.2232245694685882
Energy: 1.2279550967244264
Energy: 1.4585062790951362
Energy: 1.2286787541934454
Energy: 1.4585062790944874
Energy: 1.2279550967244264
Energy: 1.4585062790944874
Energy: 1.1834690395077274
Energy: 1.679001375298574
Energy: 1.1580164936573454
Energy: 1.6790013752992228
Energy: 1.1834690395083765
Energy: 1.6790013752992228
Energy: 1.1631852768727058
Energy: 1.3637740174461996
Energy: 1.6205678230605034
Energy: 1.3637740174461996
Energy: 1.1631852768727058
Energy: 1.3637740174461996
Energy: 1.1830129295971312
Energy: 1.528210991214601
Energy: 1.5948391174075143
Energy: 1.52821099121525
Energy: 1.1830129295971312
Energy: 1.52821099121525
Energy: 1.1830150950253506
Energy: 1.6773381053286196
Energy: 1.230617543914714
Energy: 1.6773381053286196
Energy: 1.1830150950253506
Energy: 1.6773381053286196
Energy: 1.2279199074821012
Energy: 1.7055632940381327
Energy: 1.1580626537793108
Energy: 1.7055632940381327
Energy: 1.2279199074821012
Energy: 1.5035886315166185
Energy: 1.2281971867851809
Energy: 1.163813086557989
Energy: 1.16862390982447
Energy: 1.1638130866234977
Energy: 1.2281971867851809
Energy: 1.1638130866500875
Energy: 1.5597104415812735
Energy: 1.4429992772677243
Energy: 1.1801859953916667
Energy: 1.4429992772677243
Energy: 1.5597104415812735
Energy: 1.4429992772677243
Energy: 1.480468792436009
Energy: 1.479313747088901
Energy: 1.1636770097733657
Energy: 1.479313747088901
Energy: 1.480468792436009
Energy: 1.479313747088901
Energy: 1.1635560664540332
Energy: 1.4860028162438825
Energy: 1.1637200683405284
Energy: 1.4905786731600599
Energy: 1.1635560664533844
Energy: 1.4860028162445313
Energy: 1.1636563946178753
Energy: 1.4792728432660855
Energy: 1.399164951661132
Energy: 1.4792728432654514
Energy: 1.1636563946178753
Energy: 1.4792728432660855
Energy: 1.1801021150622026
Energy: 1.4430612689977829
Energy: 1.5597028893346292
Energy: 1.4430612689977829
Energy: 1.1801021150628517
Energy: 1.4430612689977829
Energy: 1.1791268330949958
Energy: 1.1637586187972437
Energy: 1.2280566017551993
Energy: 1.1637586188257805
Energy: 1.1791268330943467
Energy: 1.163758618832918
Energy: 1.1612271122248785
Energy: 1.4874570218185015
Energy: 1.2285424423329634
Energy: 1.4874570218178527
Energy: 1.1612271122248785
Energy: 1.4874570218178527
Energy: 1.2304072324340256
Energy: 1.677364008498232
Energy: 1.1736851349595057
Energy: 1.677364008498232
Energy: 1.2304072324340256
Energy: 1.677364008498232
Energy: 1.5947321832535482
Energy: 1.5283723588854323
Energy: 1.1823601816838476
Energy: 1.5283723588705078
Energy: 1.5947321832535482
Energy: 1.5283723588620723
Energy: 1.620576696477544
Energy: 1.364961826557176
Energy: 1.163077642811737
Energy: 1.364961826557176
Energy: 1.620576696477544
Energy: 1.364961826557176
Energy: 1.1615719237101247
Energy: 1.6780367621348928
Energy: 1.1836389810096812
Energy: 1.6780367621348928
Energy: 1.1615719237101247
Energy: 1.6780367621348928
Energy: 1.227984817203729
Energy: 1.45840255065325
Energy: 1.2279468140070964
Energy: 1.458402550652601
Energy: 1.227984817203729
Energy: 1.45840255065325
Energy: 1.1610998323233808
Energy: 1.2232245694685882
Energy: 1.5984308125861673
Energy: 1.2232245694692372
Energy: 1.1610998323233808
Energy: 1.2232245694692372
Energy: 1.2015608813947136
Energy: 1.6023237280730518
Energy: 1.2446988117765954
Energy: 1.6023237280730518
Energy: 1.2015608813960112
Energy: 1.6023237280730518
Energy: 1.1610910964811434
Energy: 1.3683563404504933
Energy: 1.401857250280642
Energy: 1.3683563404511423
Energy: 1.1610910964811434
Energy: 1.3683563404511423
Energy: 1.4678705996917354
Energy: 1.2475129769164073
Energy: 1.162655968987734
Energy: 1.2475129769164073
Energy: 1.4678705996917354
Energy: 1.2475129769164073
Energy: 1.2392402782208218
Energy: 1.6028349491894973
Energy: 1.2483161293263239
Energy: 1.6028349491894973
Energy: 1.2392402782208218
Energy: 1.6028349491894973
Energy: 1.4365667109437117
Energy: 1.2234190684018238
Energy: 1.1617184823890847
Energy: 1.2234190684018238
Energy: 1.4365667109437117
Energy: 1.2234190684018238
Energy: 1.224418183407211
Energy: 1.6075015385745672
Energy: 1.2158755460681376
Energy: 1.6075015385745672
Energy: 1.224418183407211
Energy: 1.6075015385745672
Energy: 1.404759676554052
Energy: 1.2261872240596887
Energy: 1.1542561571247365
Energy: 1.2261872240603378
Energy: 1.404759676554052
Energy: 1.2261872240603378
Energy: 1.1621025761443264
Energy: 1.1819283287806246
Energy: 1.431801941066305
Energy: 1.1819283287806246
Energy: 1.1621025761436923
Energy: 1.1819283287806246
Energy: 1.2652677623787034
Energy: 1.6963372018154856
Energy: 1.6132249663371574
Energy: 1.6963372018154856
Energy: 1.2652672124335944
Energy: 1.6963372018154856
Energy: 1.162166033922255
Energy: 1.181935884489524
Energy: 1.4316467379265627
Energy: 1.181935884489524
Energy: 1.162166033922255
Energy: 1.181935884489524
Energy: 1.404703394679374
Energy: 1.2263993834324893
Energy: 1.1542669608310032
Energy: 1.2263993834324893
Energy: 1.404703394679374
Energy: 1.2263993834324893
Energy: 1.2246202436974207
Energy: 1.6077043781775582
Energy: 1.2159127296957242
Energy: 1.6077043781775582
Energy: 1.2246202436974207
Energy: 1.607704378178207
Energy: 1.4366260095385912
Energy: 1.2234190684018238
Energy: 1.1616529263870927
Energy: 1.2234190684018238
Energy: 1.4366260095385912
Energy: 1.2234190684018238

minimum gb energy = 1.1542561571247365 eV
minimum distance =  2.28250975764603 Angstroms
sigma value = 57


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

Energy: 1.2634380556945262
Energy: 1.7523336322890477
Energy: 1.3104839130386758
Energy: 1.7523336322890477
Energy: 1.2634380556945262
Energy: 1.7523336322890477
Energy: 1.272036681281324
Energy: 1.1691400878378115
Energy: 1.1689709447835595
Energy: 1.1691400878378115
Energy: 1.272036681281324
Energy: 1.1691400878378115
Energy: 1.1443636299372848
Energy: 1.2624309610962545
Energy: 1.2151058252164904
Energy: 1.2624309610951978
Energy: 1.1443636299372848
Energy: 1.262430961097311
Energy: 1.3063769253415314
Energy: 1.2425761354648044
Energy: 1.2430624902738743
Energy: 1.2425761354648044
Energy: 1.3063769253415314
Energy: 1.2425761354648044
Energy: 1.1463592213060945
Energy: 1.2360422159908055
Energy: 1.3053309959203374
Energy: 1.2360422159918623
Energy: 1.1463592213060945
Energy: 1.2360422159918623
Energy: 1.2751115518168128
Energy: 1.2432733709680714
Energy: 1.2430936300663151
Energy: 1.243273370969128
Energy: 1.2751115518168128
Energy: 1.2432733709680714
Energy: 1.1463817679487645
Energy: 1.2696699708724926
Energy: 1.1712134015616213
Energy: 1.269669970873549
Energy: 1.1463817679487645
Energy: 1.2696699708724926
Energy: 1.5213649573267711
Energy: 1.2011322159494346
Energy: 1.1690290193199433
Energy: 1.2011322159483782
Energy: 1.5213649573267711
Energy: 1.2011322159483782
Energy: 1.2671060372510625
Energy: 1.5315158990933162
Energy: 1.1925999604344066
Energy: 1.5315158991302715
Energy: 1.2671060372510625
Energy: 1.5315158991070512
Energy: 1.260912339073352
Energy: 1.1733095986258508
Energy: 1.172259481725981
Energy: 1.1733095986258508
Energy: 1.260912339073352
Energy: 1.173309598626907
Energy: 1.146435930765064
Energy: 1.4635564599597597
Energy: 1.2510622861347664
Energy: 1.4635564599597597
Energy: 1.146435930765064
Energy: 1.4635564599597597
Energy: 1.253907859660831
Energy: 1.2433285741471374
Energy: 1.2519058592953727
Energy: 1.243328574146081
Energy: 1.253907859660831
Energy: 1.243328574148194
Energy: 1.1473694833489847
Energy: 1.559642030505559
Energy: 1.2524775973581619
Energy: 1.559642030505559
Energy: 1.1473694833489847
Energy: 1.559642030505559
Energy: 1.2787920068604601
Energy: 1.3028329870659272
Energy: 1.2518816109845703
Energy: 1.3028329870659272
Energy: 1.2787920068615166
Energy: 1.302832987066984
Energy: 1.1477429070052587
Energy: 1.2681305677750438
Energy: 1.1721373981910836
Energy: 1.2681305677750438
Energy: 1.1477429070052587
Energy: 1.2681305677761003
Energy: 1.5217775863353686
Energy: 1.520489397055015
Energy: 1.1722083408798956
Energy: 1.5204893970539586
Energy: 1.5217775863343121
Energy: 1.5204893970539586
Energy: 1.2652767127159272
Energy: 1.5317215742763068
Energy: 1.1946047404650844
Energy: 1.5317215742889856
Energy: 1.265276712716984
Energy: 1.5317215742963814
Energy: 1.2792227397705853
Energy: 1.2679633667788135
Energy: 1.1717017841101791
Energy: 1.2679633667714416
Energy: 1.2792227397705853
Energy: 1.2679633667756438
Energy: 1.1475886037815521
Energy: 1.4639697785694719
Energy: 1.2516930512512916
Energy: 1.4639697785684156
Energy: 1.1475886037826086
Energy: 1.4639697785694719
Energy: 1.2776267282793357
Energy: 1.5250173475117612
Energy: 1.2445016961971014
Energy: 1.525017347512818
Energy: 1.2776267282803921
Energy: 1.5250173475107047
Energy: 1.1495457205559385
Energy: 1.525748961926225
Energy: 1.2518806744003863
Energy: 1.5257489618269569
Energy: 1.1495457205559385
Energy: 1.525748961790001
Energy: 1.1471260949972377
Energy: 1.463810648442107
Energy: 1.2446291641951939
Energy: 1.4638106484410505
Energy: 1.1471260949972377
Energy: 1.4638106484410505
Energy: 1.1473213309085555
Energy: 1.2687869297442764
Energy: 1.1923584958661357
Energy: 1.2687869297453331
Energy: 1.1473213309085555
Energy: 1.2687869297442764
Energy: 1.266776540788015
Energy: 1.5309767203223534
Energy: 1.194914153449979
Energy: 1.530976720321297
Energy: 1.2667765407869582
Energy: 1.5309767203223534
Energy: 1.2641454974447157
Energy: 1.5317471879820592
Energy: 1.1755156402147346
Energy: 1.5317471879820592
Energy: 1.2641454974447157
Energy: 1.5317471879820592
Energy: 1.1470602099831508
Energy: 1.267637116953942
Energy: 1.2183305500468418
Energy: 1.267637116953942
Energy: 1.1470602099831508
Energy: 1.2676371169602572
Energy: 1.1473806891989857
Energy: 1.4641422514699658
Energy: 1.2537099744036606
Energy: 1.4641422514699658
Energy: 1.147380689197929
Energy: 1.4641422514699658

minimum gb energy = 1.1443636299372848 eV
minimum distance =  2.29171358166314 Angstroms
sigma value = 43


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

Energy: 1.3066999464467541
Energy: 1.7240300575034981
Energy: 1.3327440410321045
Energy: 1.7240300575034981
Energy: 1.3066999464467541
Energy: 1.7240300575035767
Energy: 1.2861606056733845
Energy: 1.2209772637009195
Energy: 1.1934806597054823
Energy: 1.2209772637007619
Energy: 1.286160605672842
Energy: 1.2209772637007619
Energy: 1.1918185870450824
Energy: 1.301714473715974
Energy: 1.5228659729453577
Energy: 1.3017144737151258
Energy: 1.1918185870450824
Energy: 1.3017144737148982
Energy: 1.3776212347537988
Energy: 1.707098683869499
Energy: 1.273646904223846
Energy: 1.707098683869499
Energy: 1.377621234753484
Energy: 1.7070986838694289
Energy: 1.1908157045484684
Energy: 1.2791465075470483
Energy: 1.3309997435425394
Energy: 1.2791465075471182
Energy: 1.1908157045485384
Energy: 1.2791465075471968
Energy: 1.2684523084164334
Energy: 1.2713162885518527
Energy: 1.192712487912847
Energy: 1.2713162885519316
Energy: 1.2684523084165822
Energy: 1.2713162885518527
Energy: 1.1916041044874044
Energy: 1.2713457844869709
Energy: 1.224582503282084
Energy: 1.2713457844870495
Energy: 1.1916041044875618
Energy: 1.2713457844869709
Energy: 1.3251288831539512
Energy: 1.2783724017364548
Energy: 1.1928415123782774
Energy: 1.278372401736306
Energy: 1.3251288831535661
Energy: 1.278372401736306
Energy: 1.2728934084149135
Energy: 1.7187403396035161
Energy: 1.294824574726172
Energy: 1.7187403396036736
Energy: 1.272893408415071
Energy: 1.7187403396035161
Energy: 1.419715379167265
Energy: 1.3018064308258834
Energy: 1.1922507325194014
Energy: 1.301806430825656
Energy: 1.4197153791674135
Energy: 1.3018064308261195
Energy: 1.1943215094238966
Energy: 1.2423922927039097
Energy: 1.520723881810758
Energy: 1.2423922927039097
Energy: 1.1943215094239756
Energy: 1.2423922927039097
Energy: 1.224701784988545
Energy: 1.5488747535951521
Energy: 1.3066731798415816
Energy: 1.5488747535960006
Energy: 1.224701784988773
Energy: 1.5488747535954583
Energy: 1.1929049648271044
Energy: 1.2207622730772465
Energy: 1.2941515528385985
Energy: 1.220762273077089
Energy: 1.192904964826947
Energy: 1.2207622730773253
Energy: 1.2729073716129948
Energy: 1.4441899293767522
Energy: 1.1923947788814624
Energy: 1.444189929376831
Energy: 1.2729073716158463
Energy: 1.444189929376831
Energy: 1.2734493799920577
Energy: 1.7178448027014281
Energy: 1.2388057219016155
Energy: 1.717844802701507
Energy: 1.2734493799923639
Energy: 1.7178448027014281
Energy: 1.267922206526618
Energy: 1.298905229879272
Energy: 1.1900843426743228
Energy: 1.2989121138666382
Energy: 1.2679222065268545
Energy: 1.2988989102483441
Energy: 1.1917859630901222
Energy: 1.506029529384563
Energy: 1.2645558636913072
Energy: 1.506029529384484
Energy: 1.1917859630903582
Energy: 1.506029529384563
Energy: 1.220873878572232
Energy: 1.2709654087084528
Energy: 1.1919135719888994
Energy: 1.2709654087082167
Energy: 1.2208738785725468
Energy: 1.2709654087076827
Energy: 1.1990801844130194
Energy: 1.2233841819346605
Energy: 1.272874195392368
Energy: 1.2233841819339693
Energy: 1.1990801844132557
Energy: 1.2233841819341178
Energy: 1.1931426368625981
Energy: 1.5141197751574318
Energy: 1.2731011627581523
Energy: 1.5141197751568105
Energy: 1.1931426368631406
Energy: 1.5141197751580442
Energy: 1.1921848335705463
Energy: 1.3017420316043358
Energy: 1.2231555158446537
Energy: 1.3017420316044845
Energy: 1.1921848335705463
Energy: 1.3017420316041783
Energy: 1.7664637535168433
Energy: 1.4705866656579092
Energy: 1.1928013164498215
Energy: 1.4705866656574456
Energy: 1.7664637535168433
Energy: 1.4705866656581366
Energy: 1.4935160528320084
Energy: 1.5252636272098612
Energy: 1.2238843493878397
Energy: 1.5252636272097038
Energy: 1.493516052832087
Energy: 1.5252636272099398
Energy: 1.192063068551991
Energy: 1.3019890979221527
Energy: 1.2248269135068204
Energy: 1.3019890979209976
Energy: 1.1920630685515272
Energy: 1.3019890979203068
Energy: 1.1918916513248365
Energy: 1.3131297023409823
Energy: 1.2730985326529174
Energy: 1.3131297023409823
Energy: 1.1918916513248365
Energy: 1.3131297023406763
Energy: 1.2216098694043542
Energy: 1.3534770055712413
Energy: 1.2730184105796487
Energy: 1.3534770055711627
Energy: 1.221609869404284
Energy: 1.3534770055711627
Energy: 1.2023878488610227
Energy: 1.5782035379016925
Energy: 1.2711474124367848
Energy: 1.5782035378879937
Energy: 1.2023878488608652
Energy: 1.5782035378976165
Energy: 1.2721779671671083
Energy: 1.3114431847813095
Energy: 1.271464577259302
Energy: 1.311443184781388
Energy: 1.272177967166802
Energy: 1.3114431847813095
Energy: 1.271716662213197
Energy: 1.5783240368992764
Energy: 1.220666936532344
Energy: 1.5783240368993465
Energy: 1.2717166622129694
Energy: 1.5783240368995826
Energy: 1.2727984050268222
Energy: 1.3533243135195385
Energy: 1.2201062497633872
Energy: 1.3533243135203867
Energy: 1.2727984050608339
Energy: 1.3533243135193107
Energy: 1.2730535230218516
Energy: 1.3132306312165265
Energy: 1.1919003724025479
Energy: 1.3132306312164477
Energy: 1.2730535230219302
Energy: 1.3132306312161417
Energy: 1.2240414460278735
Energy: 1.3018874003725251
Energy: 1.1919658407522757
Energy: 1.3018874003713705
Energy: 1.2240414460277949
Energy: 1.3018874003719125
Energy: 1.2234466203831507
Energy: 1.5252726706718012
Energy: 1.699152217406297
Energy: 1.5252726706715651
Energy: 1.2234466203833867
Energy: 1.5252726706713378
Energy: 1.1929091845085904
Energy: 1.470132099771578
Energy: 1.7664159231413803
Energy: 1.4701320997716567
Energy: 1.1929091845088264
Energy: 1.4701320997716567
Energy: 1.2228073248098201
Energy: 1.3019361251157948
Energy: 1.1921037222060151
Energy: 1.30193612511541
Energy: 1.2228073248095925
Energy: 1.3019361251158736
Energy: 1.2732298965689903
Energy: 1.5140266730448129
Energy: 1.193260634710836
Energy: 1.5140266730428096
Energy: 1.2732298965689903
Energy: 1.5140266730448129

minimum gb energy = 1.1900843426743228 eV
minimum distance =  2.27456030342693 Angstroms
sigma value = 81


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

Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.6313386007250092
Energy: 1.2236007508659301
Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.4822058861487368
Energy: 1.2240188778066028
Energy: 1.2233780069497318
Energy: 1.2240188778066028
Energy: 1.4822058861509946
Energy: 1.2240188778066028
Energy: 1.223372361257631
Energy: 1.223988052935715
Energy: 1.4822876281324888
Energy: 1.223988052935715
Energy: 1.223372361257631
Energy: 1.223988052935715
Energy: 1.5596239746903673
Energy: 1.2236007508659301
Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.5596239746906566
Energy: 1.2236007508656488
Energy: 1.2233780069497318
Energy: 1.2240188778066028
Energy: 1.48220588613997
Energy: 1.2240188778066028
Energy: 1.2233780069497318
Energy: 1.2240188778066028
Energy: 1.4822876281324888
Energy: 1.223988052935715
Energy: 1.223372361257631
Energy: 1.223988052935715
Energy: 1.4822876281324888
Energy: 1.223988052935715
Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.5596239746906566
Energy: 1.2236007508659301
Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.4822058861439316
Energy: 1.2240188778066028
Energy: 1.2233780069497318
Energy: 1.2240188778066028
Energy: 1.4822058861569327
Energy: 1.2240188778066028
Energy: 1.22337236125735
Energy: 1.223988052935715
Energy: 1.4822876281324888
Energy: 1.223988052935715
Energy: 1.22337236125735
Energy: 1.223988052935715
Energy: 1.6309141667952993
Energy: 1.2236007508659301
Energy: 1.2233647880270304
Energy: 1.2236007508659301
Energy: 1.6309141667952993
Energy: 1.2236007508659301

minimum gb energy = 1.2233647880270304 eV
minimum distance =  2.31553324265485 Angstroms
sigma value = 3


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

Energy: 1.6068051668955246
Energy: 1.2809716904338635
Energy: 1.7809168669925688
Energy: 1.2809716904258222
Energy: 1.6068051668956014
Energy: 1.2809716905868263
Energy: 1.565537286964089
Energy: 1.2268453250633937
Energy: 1.1705397470570629
Energy: 1.226845325063057
Energy: 1.5655372869639257
Energy: 1.2268453250629707
Energy: 1.2024812958615254
Energy: 1.2032576107025938
Energy: 1.5417516632126174
Energy: 1.2032576107026804
Energy: 1.2024812958614386
Energy: 1.2032576107024209
Energy: 1.7800500712919785
Energy: 1.4828116924735855
Energy: 1.2069537375820065
Energy: 1.4828116924738355
Energy: 1.7800500712918055
Energy: 1.482811692473672
Energy: 1.1962563677016254
Energy: 1.2055940756595818
Energy: 1.755695104853385
Energy: 1.2055940756599184
Energy: 1.1962563677016254
Energy: 1.2055940756596684
Energy: 1.3713873987457166
Energy: 1.2781983545782825
Energy: 1.1684748142674009
Energy: 1.2781983545782825
Energy: 1.3713873987465628
Energy: 1.2781983545783593
Energy: 1.1990713405856286
Energy: 1.2070023414454405
Energy: 1.2314610851563688
Energy: 1.2070023414452768
Energy: 1.1990713405858018
Energy: 1.2070023414454405
Energy: 1.2071798941944596
Energy: 1.5967741623009664
Energy: 1.2062090555254361
Energy: 1.5967741623011298
Energy: 1.2071798941938727
Energy: 1.596774162296734
Energy: 1.2020754505664915
Energy: 1.5084063695500738
Energy: 1.576739582516423
Energy: 1.508406369549987
Energy: 1.2020754505663278
Energy: 1.5084063695503236
Energy: 1.201856887318937
Energy: 1.2328561180025113
Energy: 1.1703349443281017
Energy: 1.232856118002598
Energy: 1.201856887318937
Energy: 1.2328561180025113
Energy: 1.563557047624107
Energy: 1.5597062968317263
Energy: 1.2310448678868735
Energy: 1.5597062968323132
Energy: 1.5635570476241938
Energy: 1.5597062968318132
Energy: 1.563684703039893
Energy: 1.470986240159975
Energy: 1.1689579351235035
Energy: 1.4709862401598883
Energy: 1.5636847030398067
Energy: 1.4709862401598113
Energy: 1.201410249865839
Energy: 1.303540125838771
Energy: 1.1696311625192124
Energy: 1.303540125838771
Energy: 1.201410249865916
Energy: 1.3035401258520543
Energy: 1.2016521247471506
Energy: 1.4835938176248318
Energy: 1.2063464071200425
Energy: 1.4835938176246586
Energy: 1.2016521247468908
Energy: 1.4835938176244952
Energy: 1.2085494933684195
Energy: 1.488967043172915
Energy: 1.2145834140840086
Energy: 1.4889670431726552
Energy: 1.208549493368333
Energy: 1.488967043172742
Energy: 1.209597328347733
Energy: 1.2332025393963346
Energy: 1.1696790506515948
Energy: 1.2332025394043755
Energy: 1.209597328347733
Energy: 1.2332025393996338
Energy: 1.2106581020822424
Energy: 1.2312377031942274
Energy: 1.1715149347263099
Energy: 1.2312377031939679
Energy: 1.2106581020822424
Energy: 1.2312377031941408
Energy: 1.2071562759446346
Energy: 1.3011667709053378
Energy: 1.2145211571211798
Energy: 1.3011667709056745
Energy: 1.2071562759447212
Energy: 1.3011667709055876
Energy: 1.201930927939926
Energy: 1.483648028110228
Energy: 1.2146713459682155
Energy: 1.4836480281100646
Energy: 1.2019309279398491
Energy: 1.483648028110151
Energy: 1.2017891576009134
Energy: 1.231007821414979
Energy: 1.1695581903468717
Energy: 1.2310078214155753
Energy: 1.2017891576007502
Energy: 1.231007821414979
Energy: 1.5636494202292475
Energy: 1.4710853251002538
Energy: 1.169251952512965
Energy: 1.471085325100504
Energy: 1.5636494202294209
Energy: 1.4710853251004175
Energy: 1.5617504607254393
Energy: 1.1687587015588472
Energy: 1.230885502114415
Energy: 1.1687587015603669
Energy: 1.5617504607257857
Energy: 1.1687587015587608
Energy: 1.202055931330784
Energy: 1.2311224202757263
Energy: 1.1690308360593915
Energy: 1.2311224202759763
Energy: 1.2020559313308707
Energy: 1.2311224202759763
Energy: 1.2018733579066945
Energy: 1.50832134751304
Energy: 1.5760969690074293
Energy: 1.5083213475132036
Energy: 1.201873357906608
Energy: 1.5083213475131265
Energy: 1.2095903313561356
Energy: 1.3003923083741482
Energy: 1.206208929129968
Energy: 1.3003923083743987
Energy: 1.209590331355799
Energy: 1.3003923083743119
Energy: 1.1986162400426619
Energy: 1.5153939198614923
Energy: 1.278864053053706
Energy: 1.515393919861319
Energy: 1.1986162400426619
Energy: 1.515393919861242
Energy: 1.2073183460068793
Energy: 1.5755956467012024
Energy: 1.168474016305198
Energy: 1.5755956467011158
Energy: 1.207318346007129
Energy: 1.5755956467011158
Energy: 1.1985465315158252
Energy: 1.2881946503133432
Energy: 1.4901255037800218
Energy: 1.2881946503135069
Energy: 1.1985465315164214
Energy: 1.2881946503131703
Energy: 1.3014151465794177
Energy: 1.4873263661775524
Energy: 1.2066139505336757
Energy: 1.487326366178139
Energy: 1.3014151465794948
Energy: 1.4873263661779659
Energy: 1.201358300420085
Energy: 1.2034955572735802
Energy: 1.3718704253637664
Energy: 1.2034955572734938
Energy: 1.2013583004201713
Energy: 1.2034955572735802
Energy: 1.5655974875242502
Energy: 1.226762311988547
Energy: 1.1702722560200256
Energy: 1.226762311988547
Energy: 1.5655974875241634
Energy: 1.226762311988547
Energy: 1.6076470184262595
Energy: 1.490948187698947
Energy: 1.2311167401575034
Energy: 1.4909481876987833
Energy: 1.6076470184262595
Energy: 1.49094818769887
Energy: 1.565616888403425
Energy: 1.2267813646508585
Energy: 1.1702990980337498
Energy: 1.2267813646511951
Energy: 1.565616888403675
Energy: 1.2267813646512817

minimum gb energy = 1.168474016305198 eV
minimum distance =  2.28145014555417 Angstroms
sigma value = 67


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

Energy: 1.1624664119789516
Energy: 1.1627507647017143
Energy: 1.8385172635496594
Energy: 1.16275076495078
Energy: 1.1624664119790749
Energy: 1.1627507649066626
Energy: 1.7596903286293462
Energy: 1.1558763755874266
Energy: 1.137422312154035
Energy: 1.1558763753965806
Energy: 1.7596903286293462
Energy: 1.155876375542336
Energy: 1.1523151214550815
Energy: 1.2387086745561913
Energy: 1.3844851446981497
Energy: 1.238708675478542
Energy: 1.152315121455205
Energy: 1.2387086728850942
Energy: 1.7523395011481089
Energy: 1.4804644060824164
Energy: 1.132134351882457
Energy: 1.4804644028281007
Energy: 1.752339501147876
Energy: 1.4804643777744466
Energy: 1.1317516940097343
Energy: 1.709355154536377
Energy: 1.74169048937473
Energy: 1.7093551545360073
Energy: 1.1317516940094874
Energy: 1.7093551545360073
Energy: 1.136341902257571
Energy: 1.5695349718074894
Energy: 1.1312148538036937
Energy: 1.5695349718074894
Energy: 1.1363419022578176
Energy: 1.5695349718074894
Energy: 1.1561284501920506
Energy: 1.1563855956421987
Energy: 1.1562795783784254
Energy: 1.1563855956421987
Energy: 1.1561284501916944
Energy: 1.1563855956449671
Energy: 1.1532590339584317
Energy: 1.4530330359251786
Energy: 1.6386187899243951
Energy: 1.4530330359281938
Energy: 1.1532590339584317
Energy: 1.4530330359254253
Energy: 1.1545037336162844
Energy: 1.417558583854321
Energy: 1.662417881778501
Energy: 1.417558583926534
Energy: 1.154503733616408
Energy: 1.417558584003681
Energy: 1.1529883242333538
Energy: 1.154174079472389
Energy: 1.1541484351786346
Energy: 1.154174079680709
Energy: 1.1529883242329975
Energy: 1.1541740793153128
Energy: 1.132118116891127
Energy: 1.1545737212222873
Energy: 1.1579439912394578
Energy: 1.1545737212219311
Energy: 1.1321181168906473
Energy: 1.1545737212224108
Energy: 1.1363864137024235
Energy: 1.2025503134938105
Energy: 1.1362383019505362
Energy: 1.2025503134932074
Energy: 1.1363864137024235
Energy: 1.20255031349344
Energy: 1.1580767049480163
Energy: 1.155318503708349
Energy: 1.1331408922609831
Energy: 1.1553185037084726
Energy: 1.1580767049482628
Energy: 1.1553185037078695
Energy: 1.1543602862363829
Energy: 1.1536883844509689
Energy: 1.152962206863382
Energy: 1.153688384431439
Energy: 1.1543602862360265
Energy: 1.1536883844479675
Energy: 1.6624697902554104
Energy: 1.4164704286360845
Energy: 1.1545905946323483
Energy: 1.4164704286971963
Energy: 1.6624697902552872
Energy: 1.4164704285765215
Energy: 1.6385333376908575
Energy: 1.4529319709140978
Energy: 1.1531532890949365
Energy: 1.452931970913865
Energy: 1.6385333376904874
Energy: 1.4529319709142212
Energy: 1.1560182662319023
Energy: 1.1560931736471873
Energy: 1.135568597554279
Energy: 1.156093173647667
Energy: 1.1560182662319023
Energy: 1.1560931736469406
Energy: 1.1312279383119324
Energy: 1.5695921536778372
Energy: 1.1365946993618101
Energy: 1.5695921536778372
Energy: 1.1312279383120558
Energy: 1.5695921536780701
Energy: 1.7416005350483454
Energy: 1.7110733101986177
Energy: 1.1317310802803795
Energy: 1.7110733101990974
Energy: 1.741600535048469
Energy: 1.7110733101987272
Energy: 1.1321587104948498
Energy: 1.4802542243588304
Energy: 1.4994767504730953
Energy: 1.4802542243581038
Energy: 1.1321587104947264
Energy: 1.4802542243579808
Energy: 1.384225382785986
Energy: 1.238708673449395
Energy: 1.1356785491896262
Energy: 1.2387086700346177
Energy: 1.3842253827849031
Energy: 1.2387086725570724
Energy: 1.137395677672793
Energy: 1.1558195179466217
Energy: 1.7590867579816618
Energy: 1.1558195179497603
Energy: 1.137395677672793
Energy: 1.155819517945183
Energy: 1.5260400783715335
Energy: 1.1627507647476543
Energy: 1.1624664119793215
Energy: 1.1627507648056412
Energy: 1.5260400783719035
Energy: 1.1627507649663353

minimum gb energy = 1.1312148538036937 eV
minimum distance =  2.30244907042439 Angstroms
sigma value = 33


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

Energy: 1.4108497297019242
Energy: 1.1089572791175701
Energy: 1.6924120070134498
Energy: 1.1089572791620763
Energy: 1.4108497297018459
Energy: 1.1089572792845885
Energy: 1.7387737849151246
Energy: 1.4334804605371663
Energy: 1.0798960359294763
Energy: 1.433480460537549
Energy: 1.738773784915194
Energy: 1.4334804605371663
Energy: 1.079167536736975
Energy: 1.157157167044486
Energy: 1.613288182648007
Energy: 1.1571571673992593
Energy: 1.0791675367368188
Energy: 1.1571571671123975
Energy: 1.1573618320676047
Energy: 1.4028126893416006
Energy: 1.0873106832228763
Energy: 1.40281268934167
Energy: 1.1573618320675352
Energy: 1.40281268934167
Energy: 1.3948477293401194
Energy: 1.4580999922006066
Energy: 1.3943328792049634
Energy: 1.458100071880971
Energy: 1.3948477293401973
Energy: 1.4581000198390166
Energy: 1.3767336768918963
Energy: 1.179646927655956
Energy: 1.0779943016340143
Energy: 1.1796469276551909
Energy: 1.3767336768915832
Energy: 1.25948075602798
Energy: 1.0793504884332432
Energy: 1.1038067588512126
Energy: 1.0999229573555294
Energy: 1.1038067588519775
Energy: 1.0793504884333216
Energy: 1.1038067588506735
Energy: 1.0993036210020792
Energy: 1.5174921606250669
Energy: 1.3908821059547094
Energy: 1.5174921606248408
Energy: 1.0993036210020792
Energy: 1.5174921606250669
Energy: 1.3887883380657362
Energy: 1.3043626083969806
Energy: 1.378198829229969
Energy: 1.3043626083976674
Energy: 1.3887883380655883
Energy: 1.3043626083975195
Energy: 1.0874937130091977
Energy: 1.2783907916244128
Energy: 1.0782115743798324
Energy: 1.2783907916238826
Energy: 1.0874937130095021
Energy: 1.1036395579386205
Energy: 1.0783768165881649
Energy: 1.5682226481235886
Energy: 1.1010803156514388
Energy: 1.5682226481234405
Energy: 1.078376816588017
Energy: 1.5682226481235186
Energy: 1.081903706693831
Energy: 1.1575996889164852
Energy: 1.6844274765044593
Energy: 1.1575996889172502
Energy: 1.0819037066936832
Energy: 1.1575996889154156
Energy: 1.426704535892615
Energy: 1.459796141620521
Energy: 1.4116546470534952
Energy: 1.4597961416069059
Energy: 1.4267045358925368
Energy: 1.459796141620521
Energy: 1.0814780740971695
Energy: 1.4336264582646308
Energy: 1.0876795704688116
Energy: 1.4336264582643266
Energy: 1.081478074097317
Energy: 1.4336264582644742
Energy: 1.3938772929802603
Energy: 1.156851755014022
Energy: 1.0778089962614579
Energy: 1.1568517550143265
Energy: 1.3938772929801908
Energy: 1.1568517550143265
Energy: 1.0871257524423104
Energy: 1.403456231253283
Energy: 1.6665570669623793
Energy: 1.4034562312528223
Energy: 1.087125752442006
Energy: 1.4034562312533612
Energy: 1.6857324213436284
Energy: 1.4634093735941378
Energy: 1.3890004854245184
Energy: 1.463409372788762
Energy: 1.6857324213437068
Energy: 1.463409375669403
Energy: 1.0795321655450334
Energy: 1.103913091193409
Energy: 1.5396634027143676
Energy: 1.103913091193409
Energy: 1.0795321655448769
Energy: 1.1039130911935569
Energy: 1.3766513782535925
Energy: 1.1039548243771866
Energy: 1.0859583904147025
Energy: 1.1039548243781865
Energy: 1.376651378253436
Energy: 1.103954824377882
Energy: 1.3935032408844468
Energy: 1.4649956885517779
Energy: 1.1039662610846974
Energy: 1.464995688551856
Energy: 1.3935032408843684
Energy: 1.46499568855163
Energy: 1.7160925056453444
Energy: 1.5700685897120568
Energy: 1.087506055503977
Energy: 1.5700685897119875
Energy: 1.7160925056455794
Energy: 1.5700685897124393
Energy: 1.0848827073701683
Energy: 1.1079497358591435
Energy: 1.3761904540956533
Energy: 1.1079497358599084
Energy: 1.0848827073700205
Energy: 1.1079497358589085
Energy: 1.1043483815910016
Energy: 1.5675725827551872
Energy: 1.0795973353097634
Energy: 1.5675725827551872
Energy: 1.1043483815909236
Energy: 1.5675725827551872
Energy: 1.398010650722945
Energy: 1.0810155211311667
Energy: 1.0778995333332742
Energy: 1.0810155195822928
Energy: 1.398010650722945
Energy: 1.0810155214734725
Energy: 1.6841565186410912
Energy: 1.1579102266919663
Energy: 1.0782481009372418
Energy: 1.1579102266919663
Energy: 1.6841565186411693
Energy: 1.157910226693114
Energy: 1.1011358690289725
Energy: 1.5687530239786822
Energy: 1.0820890972634534
Energy: 1.568753023978604
Energy: 1.1011358690291204
Energy: 1.568753023978604
Energy: 1.0799188617727304
Energy: 1.1036003281718043
Energy: 1.3881254989299359
Energy: 1.1036003281724913
Energy: 1.0799188617727304
Energy: 1.1036003281569717
Energy: 1.3775431905097952
Energy: 1.2980737145338606
Energy: 1.0872628020196538
Energy: 1.2980737144977612
Energy: 1.377543190509717
Energy: 1.2980737145225403
Energy: 1.3949313286000977
Energy: 1.4647247022455536
Energy: 1.1022420617673263
Energy: 1.4647247022405803
Energy: 1.3949313286000193
Energy: 1.4647247022821046
Energy: 1.0995568256784385
Energy: 1.1038431173119923
Energy: 1.0796544691000987
Energy: 1.1038431173122965
Energy: 1.09955682567836
Energy: 1.10384311731214
Energy: 1.0789667823653724
Energy: 1.2711370846929084
Energy: 1.7219317768985245
Energy: 1.271137084694517
Energy: 1.078966782365294
Energy: 1.2711370847098886
Energy: 1.4089435955318161
Energy: 1.755129541615927
Energy: 1.3934056114179094
Energy: 1.755129541615692
Energy: 1.408943595532051
Energy: 1.7551295416157704
Energy: 1.0843307779215587
Energy: 1.4029069910578953
Energy: 1.436848711503976
Energy: 1.4029069910669199
Energy: 1.0843307779215587
Energy: 1.4029069910305167
Energy: 1.6751439655292282
Energy: 1.157340818213626
Energy: 1.0781300089733263
Energy: 1.15734081821653
Energy: 1.6751439655289238
Energy: 1.1573408182156868
Energy: 1.083254797945594
Energy: 1.4337903448236657
Energy: 1.5582846330193638
Energy: 1.4337903448236657
Energy: 1.0832547979455158
Energy: 1.4337903448238918
Energy: 1.418230262166359
Energy: 1.4602190474389949
Energy: 1.4158466487236494
Energy: 1.4602190471268934
Energy: 1.4182302621660547
Energy: 1.4602190468388057
Energy: 1.0796643855596226
Energy: 1.59043471952547
Energy: 1.6973527048432517
Energy: 1.590434719512246
Energy: 1.0796643855593187
Energy: 1.5904347195230268

minimum gb energy = 1.0778089962614579 eV
minimum distance =  2.23603301872866 Angstroms
sigma value = 41


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

Energy: 0.9260965140967709
Energy: 0.8959386274649529
Energy: 1.9007295341185786
Energy: 0.8959386274651666
Energy: 0.9260965140967709
Energy: 0.8959386274647511
Energy: 1.6632503977642201
Energy: 0.8912235546587677
Energy: 0.8912893126644741
Energy: 0.891223554658554
Energy: 1.6632503977642201
Energy: 0.8912235546587677
Energy: 0.926616377773528
Energy: 1.0714234484529515
Energy: 1.0883052117849392
Energy: 1.071423448453367
Energy: 0.926616377773528
Energy: 1.0714234484529515
Energy: 1.69125542160449
Energy: 0.8913178800508071
Energy: 0.8914130616469719
Energy: 0.8913178800508071
Energy: 1.6912554216036473
Energy: 0.8913178800508071
Energy: 0.921410008561456
Energy: 1.3675161793907604
Energy: 0.891227047045149
Energy: 1.3675161793909743
Energy: 0.9214100085612423
Energy: 1.367516179390345
Energy: 0.9278983144560793
Energy: 0.9510500256696255
Energy: 0.8953675226603124
Energy: 0.9510500256691983
Energy: 0.9278983144560793
Energy: 0.9510500256691983
Energy: 1.6311270681780672
Energy: 0.8916701684783456
Energy: 0.8912255118606193
Energy: 0.8916701684787728
Energy: 1.6311270681780672
Energy: 0.8916701684785591
Energy: 0.9257270699038984
Energy: 0.8915532227502306
Energy: 0.8912987580985865
Energy: 0.8915532227496135
Energy: 0.9257270699036847
Energy: 0.8915532227500289
Energy: 1.5838700088553737
Energy: 0.9552129269605787
Energy: 0.8912091862200441
Energy: 0.9552129269603649
Energy: 1.58387000885516
Energy: 0.9552129269601632
Energy: 0.9284961964258562
Energy: 1.3674430301982199
Energy: 0.8913268014789598
Energy: 1.3674430302009377
Energy: 0.9284961964262716
Energy: 1.3674430301900775
Energy: 1.5844723820454207
Energy: 0.8953960986038345
Energy: 0.8951701608671732
Energy: 0.8953960986036327
Energy: 1.5844723820454207
Energy: 0.8953960986036327
Energy: 0.9370396900289473
Energy: 1.071554719905463
Energy: 1.5686580553879128
Energy: 1.071554719905463
Energy: 0.9370396900285319
Energy: 1.0715547199058784
Energy: 1.5845705675651842
Energy: 0.8952958707707438
Energy: 0.8951606431471316
Energy: 0.895295870770542
Energy: 1.5845705675651842
Energy: 0.8952958707707438
Energy: 0.9285387821219526
Energy: 1.3674159399166605
Energy: 0.8913509019046525
Energy: 1.3674159399166605
Energy: 0.9285387821217389
Energy: 1.3674159399166605

minimum gb energy = 0.8912091862200441 eV
minimum distance =  2.28076716521961 Angstroms
sigma value = 11


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

Energy: 1.5799262913756624
Energy: 1.2787981878564072
Energy: 1.6659137072046042
Energy: 1.2787981878563133
Energy: 1.5799262913756624
Energy: 1.278798187856772
Energy: 1.5130938822643694
Energy: 1.6273722707538991
Energy: 1.2063798650414996
Energy: 1.6273722707538054
Energy: 1.5130938822647342
Energy: 1.6273722707536282
Energy: 1.2054763121795107
Energy: 1.4943197422463157
Energy: 1.1949205363049709
Energy: 1.4943197422464929
Energy: 1.2054763121796879
Energy: 1.4943197422463992
Energy: 1.2294703519974026
Energy: 1.273975181322821
Energy: 1.2020211986694376
Energy: 1.27397518132255
Energy: 1.2294703519973087
Energy: 1.2739751813226436
Energy: 1.3258271531392825
Energy: 1.3512861426619052
Energy: 1.2310917809708475
Energy: 1.3512861426613627
Energy: 1.3258271531386359
Energy: 1.3512861426613627
Energy: 1.2140537965615992
Energy: 1.4580313019816915
Energy: 1.3261601523117792
Energy: 1.4580313019816915
Energy: 1.2140537965615992
Energy: 1.458031301983162
Energy: 1.2311336294004775
Energy: 1.584126278858183
Energy: 1.2247522719822
Energy: 1.5841262788580892
Energy: 1.231133629400384
Energy: 1.584126278857453
Energy: 1.2025906136837219
Energy: 1.2742902933052818
Energy: 1.2901325558353047
Energy: 1.2742902933052818
Energy: 1.2025906136836282
Energy: 1.2742902933052818
Energy: 1.471459239098295
Energy: 1.3452082409464545
Energy: 1.2197757194280974
Energy: 1.3452082409463606
Energy: 1.471459239098295
Energy: 1.3452082409465482
Energy: 1.2152894300919388
Energy: 1.645414529393628
Energy: 1.31328563450129
Energy: 1.645414529393628
Energy: 1.2152894300918449
Energy: 1.645414529393722
Energy: 1.3311397789334445
Energy: 1.625616163304866
Energy: 1.3845897450507252
Energy: 1.625616163304866
Energy: 1.3311397789333608
Energy: 1.6256161633050539
Energy: 1.1950889640480944
Energy: 1.4552786583743207
Energy: 1.3426252421039424
Energy: 1.4552786583745916
Energy: 1.1950889640477187
Energy: 1.4552786583742265
Energy: 1.1951376982253148
Energy: 1.4759190771360964
Energy: 1.3391674340463584
Energy: 1.4759190771360022
Energy: 1.1951376982253148
Energy: 1.4759190771360022
Energy: 1.2261374529810356
Energy: 1.345445710001746
Energy: 1.22909139967648
Energy: 1.3454457100022883
Energy: 1.2261374529811295
Energy: 1.3454457100011936
Energy: 1.2067386094008117
Energy: 1.5173242283245114
Energy: 1.3259456064986903
Energy: 1.5173242283246056
Energy: 1.206738609400624
Energy: 1.5173242283246056
Energy: 1.6721856465180438
Energy: 1.584793749696371
Energy: 1.2268121140717962
Energy: 1.584793749696371
Energy: 1.6721856465180438
Energy: 1.584793749696371
Energy: 1.2248561933157567
Energy: 1.5846335409617374
Energy: 1.3258018690387152
Energy: 1.5846335409618209
Energy: 1.2248561933157567
Energy: 1.584633540962196
Energy: 1.3261875868162714
Energy: 1.499061665086252
Energy: 1.205028684736017
Energy: 1.4990616650861581
Energy: 1.326187586817095
Energy: 1.4990616650858872
Energy: 1.2291848448824214
Energy: 1.4760608616052835
Energy: 1.2262129234691717
Energy: 1.4760608616051896
Energy: 1.2291848448824214
Energy: 1.4760608616053668
Energy: 1.205684147959033
Energy: 1.459625856542139
Energy: 1.1952236404189178
Energy: 1.45962585654241
Energy: 1.2056841479587619
Energy: 1.4596258565423161
Energy: 1.382192849472211
Energy: 1.3458623206629214
Energy: 1.195288285887787
Energy: 1.3458623206628277
Energy: 1.3821928494723048
Energy: 1.3458623206625462
Energy: 1.5790373241877627
Energy: 1.6201960910315922
Energy: 1.3609052804433275
Energy: 1.6201960910314983
Energy: 1.579037324187669
Energy: 1.6201960910314983
Energy: 1.3129843427345114
Energy: 1.6261187951881313
Energy: 1.2134323916774499
Energy: 1.6261187951880374
Energy: 1.3129843427346053
Energy: 1.6261187951880374
Energy: 1.2201338591366706
Energy: 1.3444875841436685
Energy: 1.4714949606053156
Energy: 1.3444875841437625
Energy: 1.2201338591366706
Energy: 1.3444875841436685
Energy: 1.286011693694057
Energy: 1.2742828445337295
Energy: 1.2021113345111893
Energy: 1.2742828445339174
Energy: 1.286011693694057
Energy: 1.2742828445342824
Energy: 1.2195078459134001
Energy: 1.584412302287744
Energy: 1.2310331314660352
Energy: 1.5844123022964618
Energy: 1.2195078459134001
Energy: 1.5844123022887555
Energy: 1.325897323367656
Energy: 1.455315026492933
Energy: 1.3257491298936206
Energy: 1.4553150264928392
Energy: 1.325897323367656
Energy: 1.4553150264928392
Energy: 1.2310867859064942
Energy: 1.4512878736707115
Energy: 1.2142288698377308
Energy: 1.451287873670524
Energy: 1.2310867859065882
Energy: 1.4512878736707115
Energy: 1.2019562950690572
Energy: 1.2740784650812742
Energy: 1.229441757594561
Energy: 1.2740784650811803
Energy: 1.201956295068963
Energy: 1.274078465081545
Energy: 1.1948267671583943
Energy: 1.4944323097604895
Energy: 1.2054385993518562
Energy: 1.4944323097604895
Energy: 1.1948267671582167
Energy: 1.4944323097603958
Energy: 1.206295241124459
Energy: 1.6246085784795705
Energy: 1.5132144292958924
Energy: 1.6246085784796644
Energy: 1.206295241124459
Energy: 1.6246085784792996

minimum gb energy = 1.1948267671582167 eV
minimum distance =  2.23134525549196 Angstroms
sigma value = 57


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

Energy: 1.3495516605056497
Energy: 1.3706208997784861
Energy: 1.6171108986575016
Energy: 1.3706208997783194
Energy: 1.3495516605053248
Energy: 1.3706208997784861
Energy: 1.362569016043586
Energy: 1.5424199994995635
Energy: 1.34511018289156
Energy: 1.4034121931991956
Energy: 1.362569016043586
Energy: 1.3931218741193838
Energy: 1.3395103933096837
Energy: 1.4204202071886403
Energy: 1.324879884268173
Energy: 1.4204202071886403
Energy: 1.3395103933163826
Energy: 1.4204202071886403
Energy: 1.3395925054078441
Energy: 1.452274094775686
Energy: 1.339387644070713
Energy: 1.4625359320127014
Energy: 1.3395925054076863
Energy: 1.5958053162110515
Energy: 1.324890183021526
Energy: 1.4203990701499214
Energy: 1.3395697318094184
Energy: 1.4203990701499214
Energy: 1.324890183021526
Energy: 1.4203990701497637
Energy: 1.344928495265345
Energy: 1.3932851206618035
Energy: 1.362586242493302
Energy: 1.393285120661646
Energy: 1.344928495265345
Energy: 1.393285120661479
Energy: 1.6171108986576594
Energy: 1.370620899778811
Energy: 1.349551660505492
Energy: 1.3706208997784861
Energy: 1.6171108986576594
Energy: 1.3706208997784861
Energy: 1.3451101828917267
Energy: 1.4034121932021277
Energy: 1.362569016043261
Energy: 1.403412193256973
Energy: 1.3451101828917267
Energy: 1.403412193224656
Energy: 1.3248798842680058
Energy: 1.4204202071886403
Energy: 1.339510393315724
Energy: 1.4204202071887981
Energy: 1.3248798842680058
Energy: 1.4204202071886403
Energy: 1.3393876440708707
Energy: 1.452274094632203
Energy: 1.3395925054078441
Energy: 1.4522740946077173
Energy: 1.339387644070713
Energy: 1.4625233768323873
Energy: 1.3395697318102349
Energy: 1.4203990701499214
Energy: 1.324890183021526
Energy: 1.4203990701499214
Energy: 1.3395697318107265
Energy: 1.4203990701497637
Energy: 1.362586242493469
Energy: 1.393285120661479
Energy: 1.344928495265345
Energy: 1.393285120661479
Energy: 1.362586242493302
Energy: 1.393285120661646
Energy: 1.3495516605056497
Energy: 1.370620899778644
Energy: 1.5656472304564777
Energy: 1.370620899778644
Energy: 1.3495516605056497
Energy: 1.3706208997784861
Energy: 1.3625690160447272
Energy: 1.4034121932266135
Energy: 1.34511018289156
Energy: 1.403412193229555
Energy: 1.3625690160448942
Energy: 1.4034121932321622
Energy: 1.3395103933123
Energy: 1.4204202071886403
Energy: 1.324879884268173
Energy: 1.4204202071887981
Energy: 1.3395103933087096
Energy: 1.4204202071886403
Energy: 1.3395925054078441
Energy: 1.4625538402040181
Energy: 1.3393876440708707
Energy: 1.4625543250790194
Energy: 1.3395925054078441
Energy: 1.4522740944278438
Energy: 1.324890183021526
Energy: 1.4203990701500884
Energy: 1.3395697318128514
Energy: 1.4203990701499214
Energy: 1.324890183021526
Energy: 1.4203990701497637

minimum gb energy = 1.3248798842680058 eV
minimum distance =  2.26692207156086 Angstroms
sigma value = 9


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

Energy: 1.4762812004979409
Energy: 1.486067374735084
Energy: 1.5585835407387816
Energy: 1.4860673747352204
Energy: 1.4762812004971377
Energy: 1.4860673747352204
Energy: 1.6242273131074338
Energy: 1.4670599163414861
Energy: 1.3847181943681997
Energy: 1.4670599163433498
Energy: 1.6242273131071614
Energy: 1.4670599163441527
Energy: 1.3834837452817934
Energy: 1.55163077304521
Energy: 1.3780724295677902
Energy: 1.5516307730454826
Energy: 1.3834837452817934
Energy: 1.55163077304521
Energy: 1.390802362070014
Energy: 1.4441810686633563
Energy: 1.4016678703497563
Energy: 1.4441810686632353
Energy: 1.390802362070014
Energy: 1.4441810686634928
Energy: 1.3921054574010616
Energy: 1.5780348946779243
Energy: 1.423307468769853
Energy: 1.5780348946775304
Energy: 1.392105457400925
Energy: 1.578034894677667
Energy: 1.3908659080306756
Energy: 1.5237979425253445
Energy: 1.4979977206048576
Energy: 1.5237979425254808
Energy: 1.3908659080306756
Energy: 1.5237979425253445
Energy: 1.400424324388861
Energy: 1.4925352643287073
Energy: 1.3974503713678328
Energy: 1.4925352643291014
Energy: 1.4004243243889822
Energy: 1.4925352643289802
Energy: 1.3899796669617785
Energy: 1.455595123145836
Energy: 1.3989329908935462
Energy: 1.4555951231454267
Energy: 1.3899796669615208
Energy: 1.4555951231455633
Energy: 1.3952713841467381
Energy: 1.5559138519358362
Energy: 1.3433778991726617
Energy: 1.5559138519354272
Energy: 1.395271384147541
Energy: 1.5559138519359577
Energy: 1.5285550003271346
Energy: 1.509111187388185
Energy: 1.3785156643989904
Energy: 1.509111187388185
Energy: 1.5285550003272712
Energy: 1.5091111873883214
Energy: 1.3862780010892013
Energy: 1.4820315986265613
Energy: 1.3570305989141156
Energy: 1.4820315986565467
Energy: 1.3862780010889288
Energy: 1.4820315986326826
Energy: 1.3828157489725208
Energy: 1.4923282949585035
Energy: 1.4032877412942402
Energy: 1.4923282949588974
Energy: 1.3828157489725208
Energy: 1.492328294958761
Energy: 1.3830379326712703
Energy: 1.5107356293249652
Energy: 1.4137555772835722
Energy: 1.5107356293244352
Energy: 1.383037932671134
Energy: 1.5107356293243137
Energy: 1.3899954987802756
Energy: 1.5254397751654483
Energy: 1.343040435601728
Energy: 1.5254397751670394
Energy: 1.3899954987801393
Energy: 1.5254397751655697
Energy: 1.5281467885319178
Energy: 1.5093849113903295
Energy: 1.3775243898436655
Energy: 1.5093849113907383
Energy: 1.5281467885317812
Energy: 1.5093849113904658
Energy: 1.3941038694960564
Energy: 1.5283579067775606
Energy: 1.3432973128730294
Energy: 1.5283579068018185
Energy: 1.3941038694956471
Energy: 1.5283579068056823
Energy: 1.3946169174825025
Energy: 1.528263255240052
Energy: 1.3461200540485503
Energy: 1.528263255249643
Energy: 1.3946169174820933
Energy: 1.5282632552356425
Energy: 1.42353126029706
Energy: 1.509269305365688
Energy: 1.3783005162104875
Energy: 1.5092693053652788
Energy: 1.423531260296939
Energy: 1.509269305365688
Energy: 1.3829657103475288
Energy: 1.5232611095174242
Energy: 1.2875621842810758
Energy: 1.5232611095168935
Energy: 1.3829657103475288
Energy: 1.5232611095174242
Energy: 1.3843098263071139
Energy: 1.522499232822938
Energy: 1.4234750294362655
Energy: 1.5224992328230744
Energy: 1.3843098263071139
Energy: 1.522499232822802
Energy: 1.3828355163096073
Energy: 1.4443236270158404
Energy: 1.4018674517620417
Energy: 1.4443236270155675
Energy: 1.3828355163096073
Energy: 1.4443236270157038

minimum gb energy = 1.2875621842810758 eV
minimum distance =  2.2749833179614 Angstroms
sigma value = 27


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

Energy: 1.5152808740977628
Energy: 1.5921431945858548
Energy: 1.5611057481156316
Energy: 1.5921431945859699
Energy: 1.515280874097878
Energy: 1.5921431945859699
Energy: 1.4913937192861522
Energy: 1.4457086184838603
Energy: 1.3857713141133776
Energy: 1.4457086184843202
Energy: 1.4913937192861522
Energy: 1.4457086184840904
Energy: 1.3936381274428686
Energy: 1.3617191968169882
Energy: 1.3997197179189202
Energy: 1.3617191968174354
Energy: 1.393638127442971
Energy: 1.3617191968174354
Energy: 1.3957603139689871
Energy: 1.4741769651433574
Energy: 1.4618125596928597
Energy: 1.4741769651438046
Energy: 1.3957603139691022
Energy: 1.4741769651435876
Energy: 1.399841585018314
Energy: 1.5182004819122932
Energy: 1.3609622876486953
Energy: 1.5182004819121784
Energy: 1.399841585018429
Energy: 1.5182004819120631
Energy: 1.4005187685848435
Energy: 1.4088409479053718
Energy: 1.3897974826878432
Energy: 1.4088409479057038
Energy: 1.4005187685848435
Energy: 1.408840947906496
Energy: 1.3220828145200865
Energy: 1.4816419754325845
Energy: 1.4073252590095198
Energy: 1.4816419754323675
Energy: 1.3220828145203034
Energy: 1.4816419754326995
Energy: 1.4753391913983567
Energy: 1.4636164528347932
Energy: 1.392495065994875
Energy: 1.4636164528346782
Energy: 1.475339191398459
Energy: 1.4636164528346782
Energy: 1.4505534109575262
Energy: 1.5524271714569449
Energy: 1.5807584405022068
Energy: 1.5524271714568298
Energy: 1.4505534109575262
Energy: 1.5524271714570597
Energy: 1.4267368854047624
Energy: 1.5129117705702724
Energy: 1.5151734448050218
Energy: 1.5129117705708341
Energy: 1.4267368854048774
Energy: 1.5129117705707193
Energy: 1.4296472590420322
Energy: 1.5549503639775213
Energy: 1.5151722502786467
Energy: 1.5549503639775213
Energy: 1.4296472590420322
Energy: 1.5549503639775213
Energy: 1.4503742903439323
Energy: 1.559015417581822
Energy: 1.4555127882183612
Energy: 1.5590154175817073
Energy: 1.4503742903440475
Energy: 1.5590154175816051
Energy: 1.4268674203968394
Energy: 1.54209429625667
Energy: 1.3958532757624273
Energy: 1.5420942962564401
Energy: 1.4268674203968394
Energy: 1.542094296256325
Energy: 1.3601672474861037
Energy: 1.4695032089842863
Energy: 1.391601085389487
Energy: 1.4695032089839544
Energy: 1.3601672474861037
Energy: 1.4695032089839544
Energy: 1.4018395432619002
Energy: 1.4117642624314268
Energy: 1.3859501863746593
Energy: 1.4117642624307498
Energy: 1.4018395432619002
Energy: 1.4117642624308646
Energy: 1.403778377528933
Energy: 1.5182004819118462
Energy: 1.373618595372334
Energy: 1.5182004819125103
Energy: 1.4037783775288182
Energy: 1.5182004819121784
Energy: 1.39577219946876
Energy: 1.4741879577296644
Energy: 1.3223259219882877
Energy: 1.4741879577298813
Energy: 1.3957721994688748
Energy: 1.4741879577297792
Energy: 1.3930050271123338
Energy: 1.3843742117689235
Energy: 1.3856538663976772
Energy: 1.3843742117691533
Energy: 1.3930050271124488
Energy: 1.3843742117692555
Energy: 1.5197624103173955
Energy: 1.4233692427559943
Energy: 1.3996929590259708
Energy: 1.4233692427539637
Energy: 1.5197624103173955
Energy: 1.42336924275768
Energy: 1.5152808740977628
Energy: 1.5921431945858548
Energy: 1.5611057481157464
Energy: 1.592143194586085
Energy: 1.5152808740977628
Energy: 1.5921431945858548
Energy: 1.4913937192861522
Energy: 1.4457086184820722
Energy: 1.38577131411348
Energy: 1.4457086184826342
Energy: 1.4913937192862672
Energy: 1.4457086184820722
Energy: 1.3936381274427536
Energy: 1.3617191968172184
Energy: 1.3997197179189202
Energy: 1.3617191968173203
Energy: 1.3936381274427536
Energy: 1.3617191968172184
Energy: 1.3957603139692174
Energy: 1.4741769651434726
Energy: 1.4618125596929743
Energy: 1.4741769651438046
Energy: 1.3957603139692174
Energy: 1.4741769651437022
Energy: 1.399841585018314
Energy: 1.5182004819122932
Energy: 1.3609622876489123
Energy: 1.5182004819121784
Energy: 1.399841585018314
Energy: 1.5182004819121784
Energy: 1.4005187685847282
Energy: 1.4088409479067259
Energy: 1.3897974826877282
Energy: 1.408840947906496
Energy: 1.4005187685847282
Energy: 1.4088409479049246

minimum gb energy = 1.3220828145200865 eV
minimum distance =  2.27323071214158 Angstroms
sigma value = 19


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

Energy: 1.4881947552860426
Energy: 1.5154225337796692
Energy: 1.5033481547065601
Energy: 1.5154225337797682
Energy: 1.4881947552861419
Energy: 1.51542253377957
Energy: 1.3916316428434754
Energy: 1.4977891359386113
Energy: 1.339706863412418
Energy: 1.4977891359383244
Energy: 1.3916316428435636
Energy: 1.497789135938512
Energy: 1.3132063169445354
Energy: 1.4719453961426288
Energy: 1.3469283017105125
Energy: 1.471945396142728
Energy: 1.3132063169445354
Energy: 1.471945396142728
Energy: 1.3382610253042686
Energy: 1.4498189883054262
Energy: 1.2864146566444121
Energy: 1.4498189883054262
Energy: 1.3382610253047538
Energy: 1.4498189883053272
Energy: 1.3493917646667404
Energy: 1.4484289205612542
Energy: 1.307103864241126
Energy: 1.4484289205610559
Energy: 1.349391764666641
Energy: 1.4484289205610559
Energy: 1.3462718042070236
Energy: 1.4506097343534434
Energy: 1.3066811792311803
Energy: 1.4506097343531565
Energy: 1.3462718042071227
Energy: 1.4506097343538291
Energy: 1.2778069796212645
Energy: 1.4764138989920252
Energy: 1.3068866200316924
Energy: 1.4764138989923228
Energy: 1.2778069796211764
Energy: 1.4764138989922235
Energy: 1.3506718513199094
Energy: 1.5076514066654554
Energy: 1.3066494038878445
Energy: 1.5076514066651685
Energy: 1.3506718513200089
Energy: 1.5076514066651685
Energy: 1.3099933452091421
Energy: 1.4703270500319643
Energy: 1.3785659421840666
Energy: 1.470327050031865
Energy: 1.3099933452090538
Energy: 1.470327050031766
Energy: 1.277659407651385
Energy: 1.4225197164072518
Energy: 1.3396990410354865
Energy: 1.4225197164075383
Energy: 1.277659407651385
Energy: 1.4225197164076375
Energy: 1.349930347795268
Energy: 1.478963143000537
Energy: 1.3472683272844246
Energy: 1.4789631430007244
Energy: 1.349930347795268
Energy: 1.4789631430007244
Energy: 1.4045579848120666
Energy: 1.5406536338776766
Energy: 1.4465268194125187
Energy: 1.540653633877875
Energy: 1.4045579848118792
Energy: 1.5406536338776766
Energy: 1.3954319329364449
Energy: 1.5405445474221031
Energy: 1.339773636021118
Energy: 1.5405445474221031
Energy: 1.3954319329363456
Energy: 1.5405445474222024
Energy: 1.3470498718241917
Energy: 1.477630549553514
Energy: 1.4331675228108218
Energy: 1.477630549553514
Energy: 1.3470498718242907
Energy: 1.477630549553426
Energy: 1.4177527875399212
Energy: 1.4780039822309028
Energy: 1.4465792515032938
Energy: 1.4780039822309028
Energy: 1.4177527875399212
Energy: 1.4780039822310018
Energy: 1.3128372188514854
Energy: 1.4765776668642168
Energy: 1.3318760801674872
Energy: 1.4765776668645034
Energy: 1.3128372188515844
Energy: 1.4765776668635333
Energy: 1.3462038687727504
Energy: 1.450480344474606
Energy: 1.331728536166168
Energy: 1.4504803444745067
Energy: 1.3462038687726512
Energy: 1.4504803444745067
Energy: 1.3104188096878355
Energy: 1.5856479558108796
Energy: 1.3298860766168934
Energy: 1.5856479558108796
Energy: 1.3104188096878355
Energy: 1.5856479558107803
Energy: 1.3462597042508402
Energy: 1.4504633744261441
Energy: 1.3317266399809418
Energy: 1.4504633744264417
Energy: 1.3462597042507412
Energy: 1.4504633744263424
Energy: 1.3127523830857728
Energy: 1.4765100238992173
Energy: 1.331684456314887
Energy: 1.4765100238993163
Energy: 1.3127523830857728
Energy: 1.4765100238992173
Energy: 1.4177359406939378
Energy: 1.4779959267519296
Energy: 1.4465693971731384
Energy: 1.4779959267520288
Energy: 1.4177359406939378
Energy: 1.4779959267519296
Energy: 1.346985301919211
Energy: 1.4777953043823773
Energy: 1.4331773028221138
Energy: 1.4777953043821899
Energy: 1.346985301919211
Energy: 1.4777953043821899
Energy: 1.3746094753465974
Energy: 1.540548953622282
Energy: 1.3397062777863054
Energy: 1.540548953622282
Energy: 1.3746094753465974
Energy: 1.5405489536221826
Energy: 1.4046755804945954
Energy: 1.5406472207734656
Energy: 1.4465393016591779
Energy: 1.540647220773179
Energy: 1.4046755804944961
Energy: 1.5406472207733666
Energy: 1.3499204743513307
Energy: 1.47907867815102
Energy: 1.4199960202127695
Energy: 1.4790786781512182
Energy: 1.3499204743513307
Energy: 1.4790786781513172
Energy: 1.2776580324350815
Energy: 1.422560325227862
Energy: 1.3397521073553493
Energy: 1.4225603252281487
Energy: 1.2776580324351694
Energy: 1.422560325228347
Energy: 1.309938101176785
Energy: 1.47037214518987
Energy: 1.4143139796910749
Energy: 1.4703721451901677
Energy: 1.3099381011766857
Energy: 1.4703721451901677
Energy: 1.3507032475940988
Energy: 1.507750866601336
Energy: 1.3066041496216925
Energy: 1.507750866601424
Energy: 1.350703247594198
Energy: 1.507750866601336
Energy: 1.2778231224036054
Energy: 1.476413898992422
Energy: 1.30686759546477
Energy: 1.4764138989926094
Energy: 1.2778231224038037
Energy: 1.4764138989925104

minimum gb energy = 1.2776580324350815 eV
minimum distance =  2.25860493290865 Angstroms
sigma value = 101


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

Energy: 1.451873843119059
Energy: 1.429453053276192
Energy: 1.441788186276155
Energy: 1.4294530532760177
Energy: 1.4518738431193208
Energy: 1.429453053276105
Energy: 1.4228942385244086
Energy: 1.446923202080183
Energy: 1.2924490584382617
Energy: 1.446923202080435
Energy: 1.4228942385243213
Energy: 1.4469232020805223
Energy: 1.2219916673396973
Energy: 1.416356037080823
Energy: 1.2917642988305416
Energy: 1.416356037080823
Energy: 1.2219916673397848
Energy: 1.416356037080823
Energy: 1.260444052030487
Energy: 1.4385971183861408
Energy: 1.2445660050750853
Energy: 1.4211790986992572
Energy: 1.2604440520307387
Energy: 1.4385971183861408
Energy: 1.264321470985671
Energy: 1.473106629288717
Energy: 1.2632332812942588
Energy: 1.473106629288717
Energy: 1.2643214709855835
Energy: 1.473106629288969
Energy: 1.2225655384507792
Energy: 1.4058622839698462
Energy: 1.2823070039559525
Energy: 1.4058622839699335
Energy: 1.222565538450692
Energy: 1.4058622839698462
Energy: 1.2590999157769065
Energy: 1.441184800645425
Energy: 1.3062808930564425
Energy: 1.4411848006453378
Energy: 1.2590999157769065
Energy: 1.4411848006453378
Energy: 1.255369745270682
Energy: 1.43646765752467
Energy: 1.266356811519049
Energy: 1.4403365086181128
Energy: 1.2553697452705948
Energy: 1.431370199570441
Energy: 1.2812378154901736
Energy: 1.4059309565978888
Energy: 1.2224330681883362
Energy: 1.4059309565979763
Energy: 1.281237815489747
Energy: 1.405930956598141
Energy: 1.2595903269827333
Energy: 1.4301060587875656
Energy: 1.3019919323001912
Energy: 1.4301060587873913
Energy: 1.259590326982656
Energy: 1.4301060587875656
Energy: 1.2683551968785454
Energy: 1.4068005136463355
Energy: 1.315007213863398
Energy: 1.4068005136462485
Energy: 1.2683551968786326
Energy: 1.4068005136462485
Energy: 1.2925567051541929
Energy: 1.4163036183875153
Energy: 1.3021942373687736
Energy: 1.4163036183872635
Energy: 1.2925567051542703
Energy: 1.4163036183876025
Energy: 1.2916707455390428
Energy: 1.423644227151168
Energy: 1.3520719872597629
Energy: 1.4236442271516814
Energy: 1.2916707455391299
Energy: 1.4236442271517686
Energy: 1.3162262489416965
Energy: 1.291118620732133
Energy: 1.3522683660339383
Energy: 1.228447463106509
Energy: 1.3162262489418708
Energy: 1.3361350629935198
Energy: 1.3603048096531862
Energy: 1.5539082487831313
Energy: 1.4225461396648076
Energy: 1.5539082487830438
Energy: 1.3603048096531862
Energy: 1.5539082487830438
Energy: 1.291701818028752
Energy: 1.4167868177696332
Energy: 1.221803632958894
Energy: 1.4167868177697205
Energy: 1.2917018180283257
Energy: 1.4167868177697205
Energy: 1.2999825424803226
Energy: 1.4469681230042986
Energy: 1.2605047831212848
Energy: 1.4469681230044633
Energy: 1.2999825424804003
Energy: 1.4469681230048121
Energy: 1.2609554040469484
Energy: 1.4262557383602361
Energy: 1.2604722063158234
Energy: 1.4262557383600714
Energy: 1.2609554040469484
Energy: 1.4262557383599843
Energy: 1.2811222224520138
Energy: 1.406063921085875
Energy: 1.2225499353110119
Energy: 1.406063921085875
Energy: 1.2811222224520138
Energy: 1.4060639210857875
Energy: 1.3030144921475428
Energy: 1.440427708611712
Energy: 1.2595238354293654
Energy: 1.4404277086302995
Energy: 1.3030144921474653
Energy: 1.4404277085991817
Energy: 1.284730475083464
Energy: 1.426183982174385
Energy: 1.2664085270381946
Energy: 1.4261839821742976
Energy: 1.2847304750836384
Energy: 1.4261839821742976
Energy: 1.2811965381492587
Energy: 1.4450796734696854
Energy: 1.259588524298416
Energy: 1.4450796734698599
Energy: 1.2811965381494235
Energy: 1.4450796734695983
Energy: 1.2384973533504926
Energy: 1.436148043316985
Energy: 1.2810531053605543
Energy: 1.4361480433168978
Energy: 1.2384973533504058
Energy: 1.4361480433166458
Energy: 1.2606481038975301
Energy: 1.4390110498568158
Energy: 1.268281882719774
Energy: 1.4298750142666272
Energy: 1.2606481038976174
Energy: 1.4390110498568158
Energy: 1.262508362869645
Energy: 1.3440396890810675
Energy: 1.3217877040941215
Energy: 1.3440396890810675
Energy: 1.2625083628698095
Energy: 1.3440396890811548
Energy: 1.3069541330655774
Energy: 1.4297943784544014
Energy: 1.291628861883072
Energy: 1.4297943784544889
Energy: 1.3069541330657517
Energy: 1.4297943784544889
Energy: 1.3524275287671226
Energy: 1.4126100151355216
Energy: 1.274784190356345
Energy: 1.4126100151352696
Energy: 1.3524275287671226
Energy: 1.4126100151354344
Energy: 1.3534424105989509
Energy: 1.4126271239461652
Energy: 1.2743875519405286
Energy: 1.4126271239463297
Energy: 1.3534424105988636
Energy: 1.412627123946078
Energy: 1.3802238299965242
Energy: 1.430351510765468
Energy: 1.3421903686135863
Energy: 1.4303515107655556
Energy: 1.3802238299965242
Energy: 1.430351510765468
Energy: 1.2612320680268856
Energy: 1.3440587809381686
Energy: 1.3415754787402745
Energy: 1.3440587809373932
Energy: 1.261232068026808
Energy: 1.3440587809378197
Energy: 1.2605442944378615
Energy: 1.4496327150193495
Energy: 1.2444423083915577
Energy: 1.449632715019427
Energy: 1.2605442944379486
Energy: 1.449632715019427
Energy: 1.308523717304444
Energy: 1.4136641250207234
Energy: 1.28206301417368
Energy: 1.4136641250207234
Energy: 1.3085237173043567
Energy: 1.4136641250207234
Energy: 1.2808200613656604
Energy: 1.5461253784666629
Energy: 1.257287437010508
Energy: 1.5461253784666629
Energy: 1.280820061369159
Energy: 1.5461253784665856

minimum gb energy = 1.221803632958894 eV
minimum distance =  2.280000696705 Angstroms
sigma value = 33


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

Energy: 0.005389956959337167
Energy: 0.005564880683427823
Energy: 1.1292276043160066
Energy: 0.005564880683496714
Energy: 0.005389956959337167
Energy: 0.005564880683565603
Energy: 0.005541614021739721
Energy: 0.8181953485848377
Energy: 0.00554161402180861
Energy: 0.8181953485846998
Energy: 0.005541614021739721
Energy: 0.8181953485845621
Energy: 1.355917558682816
Energy: 0.005564880683565603
Energy: 0.005389956959337167
Energy: 0.005564880683565603
Energy: 1.3559175586825405
Energy: 0.005564880683496714
Energy: 0.005541614021739721
Energy: 0.8181953485851132
Energy: 0.005541614021739721
Energy: 0.8181953485844932
Energy: 0.005541614021739721
Energy: 0.8181953485846998

minimum gb energy = 0.005389956959337167 eV
minimum distance =  2.43911165624744 Angstroms
sigma value = 1