Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.012868216358339466
Energy: 0.013657453245744206
Energy: 3.1224993192137687
Energy: 0.013657453245744206
Energy: 0.013657453245744206
Energy: 0.013065711129288662
Energy: 0.16838148295051594
Energy: 0.013065711129288662
Energy: 3.1224993192157124
Energy: 0.16838148295051594
Energy: 0.01319862228763975
Energy: 0.16838148295051594
Energy: 0.013657453245744206
Energy: 0.013065711129288662
Energy: 0.16838148295051594
Energy: 0.013065711129288662

minimum gb energy = 0.012868216358339466 eV
minimum distance =  2.4781578122925 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.225436805663934
Energy: 0.8411809624036453
Energy: 0.8498332469171168
Energy: 0.8411809624024333
Energy: 1.4522380796069867
Energy: 0.8336158423706981
Energy: 0.8601362004125608
Energy: 0.833615842369486
Energy: 1.638069742218211
Energy: 0.8417739904349464
Energy: 0.8732141534001763
Energy: 0.8417739903501585
Energy: 1.174625347716762
Energy: 0.8367264151316678
Energy: 0.8518417781633515
Energy: 0.8367264151328796
Energy: 1.17517770734312
Energy: 0.8547569109935423
Energy: 1.1862080315656958
Energy: 0.8547569109935423
Energy: 1.4715363038618645
Energy: 0.836236691389349
Energy: 0.8074454227178407
Energy: 0.8362366913881369
Energy: 1.0075432347032887
Energy: 0.9274795488338339
Energy: 0.8359044033397297
Energy: 0.9274795488314098
Energy: 0.8356579227658891
Energy: 0.8332147522147207
Energy: 1.1864224108379469
Energy: 0.8332147522135086
Energy: 1.0140247571342735
Energy: 0.8312019032050714
Energy: 1.1628203145872755
Energy: 0.8312019032123437
Energy: 1.4920657595819433
Energy: 0.8342400085444731
Energy: 1.0060836253537966
Energy: 0.8342400085432611
Energy: 0.8681778008394136
Energy: 0.9275899908704762
Energy: 1.0828187160496119
Energy: 0.9275899908692643
Energy: 0.8476235828045836
Energy: 0.8447803018493437
Energy: 1.8586380388392953
Energy: 0.8447803018481317
Energy: 1.0034801278645442
Energy: 0.928824558745088
Energy: 1.172877478720422
Energy: 0.928824558745088
Energy: 0.8353720709463941
Energy: 0.8693917990328156
Energy: 1.1520877794805713
Energy: 0.8693917990364517
Energy: 0.9212870974363995
Energy: 0.8357127172660893
Energy: 1.464935679456511
Energy: 0.8357127172648774
Energy: 0.8471135066197841
Energy: 0.8358986950700695
Energy: 1.4751739607804086
Energy: 0.8358986950676455
Energy: 0.8492377458608343
Energy: 0.8688038910727263
Energy: 1.1784917519921971
Energy: 0.8688038910727263
Energy: 1.015945883054199
Energy: 0.9282821326062292
Energy: 1.1783855410482678
Energy: 0.9282821326074412
Energy: 0.8648588801063922
Energy: 0.8465879866746834
Energy: 1.6490334749423388
Energy: 0.8465879866746834
Energy: 0.9314031442506184
Energy: 0.9285347593685589
Energy: 1.0204043699740906
Energy: 0.9285347593649228
Energy: 1.4663415975660354
Energy: 0.8783328742869756
Energy: 1.018690660185807
Energy: 0.8783328742881877
Energy: 1.0282709159568022
Energy: 0.8377666684178033
Energy: 1.1740221017399204
Energy: 0.8377666684202275
Energy: 0.9303927075428855
Energy: 0.8334268317595958
Energy: 1.0217012093812912
Energy: 0.8334268317475305
Energy: 1.1744867293051013
Energy: 0.9232545580189887
Energy: 0.8282757752168572
Energy: 0.9232545580298973
Energy: 1.4644157478462816
Energy: 0.8353572634408206
Energy: 0.880220080438258
Energy: 0.8353572634383966
Energy: 1.168613504449937
Energy: 0.8710654796508521
Energy: 1.165713926867129
Energy: 0.8710654796532762
Energy: 1.1998075259002294
Energy: 0.8367303968797252
Energy: 0.8501544169017784
Energy: 0.8367303968797252
Energy: 1.8090277247561364
Energy: 0.8476337192305424
Energy: 0.871874990708701
Energy: 0.8476337192305424
Energy: 1.4430319152509552
Energy: 0.8509817945834801
Energy: 0.8663946927616162
Energy: 0.850981794579844
Energy: 1.1844405433471625
Energy: 0.8823217795125321
Energy: 0.846459515089232
Energy: 0.88232177951132
Energy: 1.4529716213505568
Energy: 0.8278722293277608
Energy: 0.8520212345042012
Energy: 0.8278722292841825
Energy: 1.4755712619026147
Energy: 0.8456357353624999
Energy: 0.8476780874603206
Energy: 0.8456357353600759
Energy: 1.1866742849284893
Energy: 0.8339280162042171
Energy: 0.8627620096477882
Energy: 0.8339280162211857

minimum gb energy = 0.8074454227178407 eV
minimum distance =  2.33389278487855 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.4132153799521998
Energy: 0.8876076964413215
Energy: 1.008597973347752
Energy: 0.8876076964413215
Energy: 1.3036378752050364
Energy: 0.913766367043395
Energy: 0.9346592467771814
Energy: 0.913766367043395
Energy: 1.3021042690906603
Energy: 0.9584211969292138
Energy: 0.9580597820540039
Energy: 0.9584211969305958
Energy: 0.8887709897499989
Energy: 0.9934713574618304
Energy: 0.9318115809339295
Energy: 0.9934713574618304
Energy: 0.8896896947780456
Energy: 0.8986382988657702
Energy: 1.3027069468728618
Energy: 0.8986382988616244
Energy: 1.3103993879007962
Energy: 0.904310176068469
Energy: 0.9007322696946857
Energy: 0.9043101760698509
Energy: 0.9046106915680999
Energy: 0.9971896089642321
Energy: 0.9076206205323731
Energy: 0.9971896089628501
Energy: 0.9107056580587999
Energy: 0.9066238944450266
Energy: 1.301242649361063
Energy: 0.9066238944464083
Energy: 0.9551606737418838
Energy: 0.8894074544329729
Energy: 1.3153429379762558
Energy: 0.8894074544329729
Energy: 0.9346352553608508
Energy: 0.8853321724157427
Energy: 0.8801437144277179
Energy: 0.8853321724157427
Energy: 0.9070481330682219
Energy: 0.9025468274616315
Energy: 1.3216594991542907
Energy: 0.9025468274630135
Energy: 0.9099193888522513
Energy: 0.9009162215019811
Energy: 2.0239278544966823
Energy: 0.9009162215144186
Energy: 0.9309204121296232
Energy: 0.9973614842737718
Energy: 1.2747464481538051
Energy: 0.9973614842723898
Energy: 0.9309204121420607
Energy: 0.9993102577893263
Energy: 1.2668830140619416
Energy: 0.9993102577879442
Energy: 0.9098788920350412
Energy: 0.8889788899886115
Energy: 2.003202069100646
Energy: 0.8889788899471845
Energy: 0.9071103485160775
Energy: 0.9029296377910653
Energy: 1.325043134087507
Energy: 0.9029296377883015
Energy: 0.9346352553580869
Energy: 0.8853396804674779
Energy: 0.8801084204402982
Energy: 0.8853396804674779
Energy: 0.9553639025919998
Energy: 0.8893004945997341
Energy: 1.3046251164502018
Energy: 0.8893004945983837
Energy: 0.9107044888159794
Energy: 0.9066786986610962
Energy: 1.3012426488928055
Energy: 0.9066786986597142
Energy: 0.9046619180224297
Energy: 0.9972219629951757
Energy: 0.9075722937440056
Energy: 0.9972219629951757
Energy: 1.275036832291228
Energy: 0.9035122949883616
Energy: 0.8979998964598788
Energy: 0.9035122949883616
Energy: 0.8896128144358502
Energy: 0.90742212189958
Energy: 1.3027069457761042
Energy: 0.9074221218968161
Energy: 0.8887819509291623
Energy: 0.9935146864727722
Energy: 0.9318115809353115
Energy: 0.9935146864727722
Energy: 1.2898274952135735
Energy: 0.9584446484887404
Energy: 0.9580638324226526
Energy: 0.9584446484887404
Energy: 1.2835519378693583
Energy: 0.9086193719900251
Energy: 0.9346592467827092
Energy: 0.9086193719803513
Energy: 1.4132153770058413
Energy: 0.8876076964413215
Energy: 1.0085979725382808
Energy: 0.8876076964427034
Energy: 1.3036378752036544
Energy: 0.9137663670309574
Energy: 0.9346592467771814
Energy: 0.913766367044777
Energy: 1.3021042690837505
Energy: 0.9584211969292138
Energy: 0.9580597820540039
Energy: 0.9584211969292138
Energy: 0.8887709897499989
Energy: 0.9934713574618304
Energy: 0.9318115809339295
Energy: 0.9934713574618304

minimum gb energy = 0.8801084204402982 eV
minimum distance =  2.33001962107131 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.1759212167653867
Energy: 1.2494889262066555
Energy: 1.3825939686341937
Energy: 1.2494889262307525
Energy: 1.4320436238428276
Energy: 0.9395792091205594
Energy: 0.9935541954088033
Energy: 0.9395792090177816
Energy: 1.4822238738620843
Energy: 1.0101225053496454
Energy: 1.0244031167529652
Energy: 1.010122505121636
Energy: 1.1600311945353912
Energy: 0.9340087637516399
Energy: 1.1225551739614603
Energy: 0.9340087667528222
Energy: 1.1715850474099592
Energy: 0.9437017342987477
Energy: 1.1624153053342519
Energy: 0.9437017343003542
Energy: 1.4750569769969304
Energy: 0.9221695583758783
Energy: 0.9364238219636795
Energy: 0.922169565603397
Energy: 1.0861780127636824
Energy: 0.9981538106341795
Energy: 0.9828372858241783
Energy: 0.9981538106454249
Energy: 0.9799268654625964
Energy: 0.9748592486752461
Energy: 1.4703578003802331
Energy: 0.9748592486736397
Energy: 0.9810781940733788
Energy: 1.0354474812873926
Energy: 1.1556531542464208
Energy: 1.0354474811589478
Energy: 1.010236103799593
Energy: 0.9261982622886566
Energy: 1.1613522376013978
Energy: 0.9261982622950826
Energy: 1.0451601969882451
Energy: 1.0306863396936015
Energy: 1.4635279852609042
Energy: 1.0306863397080597
Energy: 1.0795316174882108
Energy: 0.9120432425367947
Energy: 1.4438431657841786
Energy: 0.9120462692431885
Energy: 0.9876253488127512
Energy: 0.9306116972029282
Energy: 1.1874204839513272
Energy: 0.9306116972141736
Energy: 0.9762391840680149
Energy: 1.0309201284103047
Energy: 1.1220195049535049
Energy: 1.0309201284167306
Energy: 1.0095578812379133
Energy: 0.9109762759686726
Energy: 1.693627960039451
Energy: 0.9109724195119958
Energy: 1.0734907908299398
Energy: 0.9939025224744183
Energy: 0.982982102928896
Energy: 0.993902522472812
Energy: 1.795821454328318
Energy: 0.9358130353635474
Energy: 0.9434110864362952
Energy: 0.935813027349186
Energy: 1.1879234721758554
Energy: 0.8299796343151561
Energy: 1.157595660010058
Energy: 0.8424194044981663
Energy: 1.1615586011212864
Energy: 0.9127419097903705
Energy: 0.9561102261548691
Energy: 0.9127418629744836
Energy: 1.1029103169007874
Energy: 0.945975846004631
Energy: 1.0135758475342886
Energy: 0.9459758459901729
Energy: 1.436848286266579
Energy: 0.9260231781983541
Energy: 1.068454789604036
Energy: 0.926023178951461
Energy: 1.111814465821936
Energy: 0.9867873539893949
Energy: 0.9920137595306371
Energy: 0.986787353982969
Energy: 1.4441801638276524
Energy: 1.0227515817570803
Energy: 1.0025933451173856
Energy: 1.0227515817570803
Energy: 1.4491529491003616
Energy: 1.0136062787853106
Energy: 1.0277949319805033
Energy: 1.013606278786917
Energy: 1.183323294839565
Energy: 0.9342668383865732
Energy: 1.0725771087264204
Energy: 0.9342668384090638

minimum gb energy = 0.8299796343151561 eV
minimum distance =  2.33523563099686 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.969652305741757
Energy: 0.8909473927216278
Energy: 1.0951503846206725
Energy: 0.8738862688914966
Energy: 1.1174187275136487
Energy: 1.0790022735327873
Energy: 1.0920417998711192
Energy: 1.0790022734094187
Energy: 1.1322491472637999
Energy: 1.0489055185721385
Energy: 1.1490350474457542
Energy: 1.048905518606242
Energy: 1.1071322204917733
Energy: 1.0203553915600252
Energy: 0.9542277532284241
Energy: 1.020356344622611
Energy: 1.2546426641948414
Energy: 1.0237343191191324
Energy: 1.0973536064767235
Energy: 1.023734876403975
Energy: 1.515550327196494
Energy: 1.0448550489204194
Energy: 1.077422960580578
Energy: 1.0448550489355546
Energy: 1.037773583551903
Energy: 1.022380206456739
Energy: 1.1906851169225217
Energy: 1.0223802068745154
Energy: 1.0259813974239722
Energy: 1.0491954018363145
Energy: 1.5400747759358258
Energy: 1.0494167217975716
Energy: 1.1853088680977286
Energy: 0.980080304000532
Energy: 0.9749975167066625
Energy: 0.9800691139107293
Energy: 1.255300467848515
Energy: 0.9740390922380932
Energy: 0.9324151843538926
Energy: 0.9740390923196929
Energy: 1.030409628893955
Energy: 0.9528811012973888
Energy: 1.5560241469461695
Energy: 0.9988456855406106
Energy: 1.13966527351509
Energy: 0.9574467499595197
Energy: 1.266772936510185
Energy: 0.9574468871804699
Energy: 1.190257752372821
Energy: 0.9476455174256271
Energy: 1.0576294057701305
Energy: 0.9314302297595705
Energy: 1.258900905862723
Energy: 0.8288821994437342
Energy: 1.2832909412567721
Energy: 0.7816148132670353
Energy: 1.0685479469919281
Energy: 0.9716719295945763
Energy: 1.2059106568057931
Energy: 0.9677185556805491
Energy: 1.1828901711032247
Energy: 0.93815795293338
Energy: 0.9986923936220251
Energy: 0.9381354911574529
Energy: 1.5796247933068115
Energy: 1.1092752460152915
Energy: 1.0461645886644162
Energy: 1.1092802378475268
Energy: 1.0040209190479628
Energy: 0.3013175472104623
Energy: 1.1322024854068182
Energy: 0.6526613281053367
Energy: 1.1039534377262572
Energy: 1.065328804402033
Energy: 1.1357045879785101
Energy: 1.0653287829554954
Energy: 1.6099845746078287
Energy: 1.0278540343058575
Energy: 1.034542502184555
Energy: 1.0278540227860824
Energy: 1.1770110229535649
Energy: 1.045488903442137
Energy: 0.921743410704546
Energy: 1.0454882646121273

minimum gb energy = 0.3013175472104623 eV
minimum distance =  2.32628450710094 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.141239218914221
Energy: 1.376478350021777
Energy: 1.3827826307184754
Energy: 1.3764783500227196
Energy: 1.497830882326621
Energy: 1.3096766492226053
Energy: 1.3337602815464078
Energy: 1.3096766492233054
Energy: 1.2586469246427248
Energy: 1.3085582075579838
Energy: 1.3390195560519171
Energy: 1.3085582075558562
Energy: 1.2611031638803376
Energy: 1.3098680159158995
Energy: 1.3292118231594074
Energy: 1.309868015918512
Energy: 1.2702630946275464
Energy: 1.3110068594132742
Energy: 1.5699439485725932
Energy: 1.3110068594137592
Energy: 1.7024470637761668
Energy: 1.2184767549168602
Energy: 1.2326176710765953
Energy: 1.218476754912578
Energy: 1.3293917178256087
Energy: 1.307856191750081
Energy: 1.216631407208989
Energy: 1.3078561917517508
Energy: 1.2558193425688162
Energy: 1.36792207721776
Energy: 1.5266975825491782
Energy: 1.36792207721232
Energy: 1.397667589758378
Energy: 1.232813059335727
Energy: 1.2343662610173889
Energy: 1.2328130593364544
Energy: 1.2445339071741675
Energy: 1.234823182229823
Energy: 1.2202404054484242
Energy: 1.2348231822300653
Energy: 1.3109923518369155
Energy: 1.310168994282175
Energy: 1.4739733289906136
Energy: 1.310168994279805
Energy: 1.310576109828479
Energy: 1.23238705886757
Energy: 1.2912501504909613
Energy: 1.232387058873495
Energy: 1.3247141478853792
Energy: 1.3018994080568327
Energy: 1.3018809470234123
Energy: 1.3018994080627577
Energy: 1.384453335237548
Energy: 1.302061118858967
Energy: 1.3372618026754548
Energy: 1.3020611188663196
Energy: 1.2914854262102766
Energy: 1.2334331001640462
Energy: 1.4144485685235657
Energy: 1.2334331001647731
Energy: 1.4849221445690417
Energy: 1.2640789911148607
Energy: 1.2742372558826147
Energy: 1.2640789911134336
Energy: 1.2628764759545223
Energy: 1.2265044326269117
Energy: 1.29819989683896
Energy: 1.226504432626427

minimum gb energy = 1.141239218914221 eV
minimum distance =  2.32257044916022 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.4614723469865913
Energy: 1.3427891302485055
Energy: 1.4850266604751226
Energy: 1.3427891302471633
Energy: 1.3950588654915614
Energy: 1.4133937239077976
Energy: 1.35826950276642
Energy: 1.4133937239064556
Energy: 1.3111608869193343
Energy: 1.4389910595085271
Energy: 1.3523432612098076
Energy: 1.4389910595098692
Energy: 1.4131068169457675
Energy: 1.4027991126085477
Energy: 1.3393781072931876
Energy: 1.40279911260989
Energy: 1.3004984177754473
Energy: 1.441265568812667
Energy: 1.485533772223066
Energy: 1.441265568814009
Energy: 1.6640454970282978
Energy: 1.3765336907451122
Energy: 1.3468046042499002
Energy: 1.3765336907424277
Energy: 1.3798254078101266
Energy: 1.4028830499065157
Energy: 1.4845329160097072
Energy: 1.4028830499065157
Energy: 1.3962550006025198
Energy: 1.4099786777554957
Energy: 1.5560559466509802
Energy: 1.4099786777528114
Energy: 1.3782718399662284
Energy: 1.4340512770181326
Energy: 1.3659407507821395
Energy: 1.434051277011421
Energy: 1.5251604031155899
Energy: 1.4628451030724348
Energy: 1.349371385736468
Energy: 1.4628451030751193
Energy: 1.4027992426080187
Energy: 1.3982107328021176
Energy: 1.4490884914454556
Energy: 1.3982107327954065
Energy: 1.3206626805245856
Energy: 1.4346669941855614
Energy: 1.3202083995861034
Energy: 1.4346669941855614
Energy: 1.5085421789042224
Energy: 1.4994742534623777
Energy: 1.338958050444068
Energy: 1.4994742534623777
Energy: 1.4012112020570395
Energy: 1.3990868006479436
Energy: 1.3688110118761352
Energy: 1.39908680063989
Energy: 1.3249690251182487
Energy: 1.4156100820654625
Energy: 1.542001297384503
Energy: 1.4156100820681468
Energy: 1.5086430887395126
Energy: 1.4345934119476897
Energy: 1.3755369892164986
Energy: 1.4345934119476897
Energy: 1.3719043677183758
Energy: 1.5034101036734038
Energy: 1.347723067002084
Energy: 1.5034101036720615
Energy: 1.3737338890572597
Energy: 1.500045882125845
Energy: 1.3820485919616663
Energy: 1.5000458821218186
Energy: 1.3685684295632141
Energy: 1.3784132095286434
Energy: 1.4355001637866782
Energy: 1.3784132095273014
Energy: 1.5783621326674597
Energy: 1.3766938260090504
Energy: 1.5024469860245775
Energy: 1.3766938260036814
Energy: 1.41073436030453
Energy: 1.466564834257382
Energy: 1.4482466127423166
Energy: 1.4665648342587243
Energy: 1.4067144629652066
Energy: 1.4331092105423646
Energy: 1.316868452158669
Energy: 1.4331092105423646
Energy: 1.4041523834076801
Energy: 1.4470160982016316
Energy: 1.4707489302130892
Energy: 1.4470160982029736
Energy: 1.443149213803313
Energy: 1.364181623342244
Energy: 1.3495838205439379
Energy: 1.3641816233409017
Energy: 1.4436930062724083
Energy: 1.3641401321641091
Energy: 1.3517853211445865
Energy: 1.364140132173505
Energy: 1.3924519918038853
Energy: 1.4473135671023025
Energy: 1.3348706543538427
Energy: 1.4473135670996182
Energy: 1.3024876298049395
Energy: 1.4336526603038944
Energy: 1.44697879428519
Energy: 1.4336526603038944
Energy: 1.4190885468047079
Energy: 1.4100498238615864
Energy: 1.4768149954207104
Energy: 1.4100498238615864
Energy: 1.3017256011970677
Energy: 1.4646117941174366
Energy: 1.522708240471873
Energy: 1.464611794118779
Energy: 1.361789640643652
Energy: 1.3777199956297095
Energy: 1.3577067165713175
Energy: 1.3777199956283672

minimum gb energy = 1.3004984177754473 eV
minimum distance =  2.32081190974346 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6080460101145386
Energy: 1.6061214358484461
Energy: 1.465153642034446
Energy: 1.606121435847814
Energy: 1.2914511917146894
Energy: 1.5385065697802833
Energy: 1.2830288902911928
Energy: 1.5385065697805642
Energy: 1.2990277451391463
Energy: 1.2747856054972913
Energy: 1.2870004761045544
Energy: 1.274785605494201
Energy: 1.2983461624142976
Energy: 1.2634940238965666
Energy: 1.2697722719847209
Energy: 1.2634940239039758
Energy: 1.276061012756854
Energy: 1.5314619661089777
Energy: 1.285271200196847
Energy: 1.5314619661308895
Energy: 1.4651537289237682
Energy: 1.6061214358475329
Energy: 1.6080460101145386
Energy: 1.6061214358475329
Energy: 1.283028890294599
Energy: 1.5385065697815121
Energy: 1.2914511917153213
Energy: 1.5385065697796514
Energy: 1.2870004761014642
Energy: 1.2747856054985203
Energy: 1.2990277452750412
Energy: 1.2747856054979232
Energy: 1.2697722783731742
Energy: 1.2634940239021146
Energy: 1.2983461624164745
Energy: 1.2634940238950216
Energy: 1.2852712001940727
Energy: 1.53146196614943
Energy: 1.276061012758083
Energy: 1.531461966115474
Energy: 1.6080460101145386
Energy: 1.606121435847814
Energy: 1.4651538421004195
Energy: 1.60612143584813
Energy: 1.2914511917122313
Energy: 1.5385065697796514
Energy: 1.28302889029337
Energy: 1.5385065697811962
Energy: 1.2990277456568102
Energy: 1.274785605498204
Energy: 1.2870004761079603
Energy: 1.2747856054976072

minimum gb energy = 1.2634940238950216 eV
minimum distance =  2.39345027579211 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.651722008762725
Energy: 1.4896299023733874
Energy: 1.5510608786162456
Energy: 1.4896299023722437
Energy: 1.5181101799765655
Energy: 1.4385675137994354
Energy: 1.430675451816396
Energy: 1.4385675137994354
Energy: 1.4502105021961675
Energy: 1.4780085329945063
Energy: 1.4944901100789665
Energy: 1.4780085329967936
Energy: 1.449939217761241
Energy: 1.5196750909907777
Energy: 1.4460199036976054
Energy: 1.5196750909930652
Energy: 1.4296080430707228
Energy: 1.4590389574873304
Energy: 1.5583526398411265
Energy: 1.4590389574838993
Energy: 1.6961281654632319
Energy: 1.6192995866537268
Energy: 1.6767454573724354
Energy: 1.6192995866502957
Energy: 1.4218219414716784
Energy: 1.4925242628656747
Energy: 1.5765349717024815
Energy: 1.4925242628656747
Energy: 1.468399347035852
Energy: 1.5286323232956904
Energy: 1.440150911536532
Energy: 1.5286323232991215
Energy: 1.4185736188688223
Energy: 1.4777803925656634
Energy: 1.494813360509018
Energy: 1.4777803925599449
Energy: 1.4610611163123441
Energy: 1.4780484666823133
Energy: 1.4865772820145062
Energy: 1.4780484666846005
Energy: 1.4956288876996178
Energy: 1.5050482168292436
Energy: 1.5705309073063851
Energy: 1.5050482168178065
Energy: 1.6070595301914998
Energy: 1.5256783420624898
Energy: 1.4107055135109359
Energy: 1.5256783420636337
Energy: 1.4977170953846088
Energy: 1.5057123903262457
Energy: 1.515636692345397
Energy: 1.5057123903308205
Energy: 1.4434299156010792
Energy: 1.518813529244593
Energy: 1.4183975965816498
Energy: 1.518813529244593
Energy: 1.4583966583812642
Energy: 1.5291760752242112
Energy: 1.4197297596066174
Energy: 1.5291760752230672
Energy: 1.6807597122133995
Energy: 1.5058635865232184
Energy: 1.5159515251930389
Energy: 1.5058635865266494
Energy: 1.5198557099265566
Energy: 1.5072978272906437
Energy: 1.667667401147902
Energy: 1.507297827292931
Energy: 1.496112816224272
Energy: 1.5086772276820024
Energy: 1.477744147111261
Energy: 1.508677227679715
Energy: 1.623523285768647
Energy: 1.4974959796512137
Energy: 1.4483053680494522
Energy: 1.4974959796512137
Energy: 1.448999577796847
Energy: 1.5064476762482424
Energy: 1.4729888394336388
Energy: 1.5064476762505299
Energy: 1.410575680061289
Energy: 1.5288108703316858
Energy: 1.6424891101370218
Energy: 1.5288108703305423
Energy: 1.5291607260648061
Energy: 1.459177335456519
Energy: 1.4963072474842074
Energy: 1.45917733545995
Energy: 1.4713804222305562
Energy: 1.4952448790529336
Energy: 1.655668839017314
Energy: 1.495244879055221
Energy: 1.4521046350132931
Energy: 1.435197618738892
Energy: 1.5187569536061785
Energy: 1.4351976187400357
Energy: 1.4372124991214048
Energy: 1.5285588252473261
Energy: 1.3814842676099206
Energy: 1.5285588252484699
Energy: 1.5482388299623941
Energy: 1.5775056746629366
Energy: 1.3833792101225173
Energy: 1.5775056746675113
Energy: 1.5509221416743806
Energy: 1.4465374100473019
Energy: 1.5219718885854876
Energy: 1.4465374100484456
Energy: 1.6232931260722756
Energy: 1.4467068141956076
Energy: 1.5196721031498213
Energy: 1.4467068141967514
Energy: 1.560621597611748
Energy: 1.5783477880697883
Energy: 1.396228717642453
Energy: 1.578347788074363
Energy: 1.4326559411425386
Energy: 1.5263556449459559
Energy: 1.3778065278542082
Energy: 1.5263556449470994
Energy: 1.455651826708103
Energy: 1.4369678689242669
Energy: 1.5569985729012996
Energy: 1.4369678689254108
Energy: 1.4726913126863508
Energy: 1.4595719602187716
Energy: 1.515414038310113
Energy: 1.4595719602210588
Energy: 1.7303577704395166
Energy: 1.4593596855067525
Energy: 1.4964838235160944
Energy: 1.4593596855067525
Energy: 1.4127718149917932
Energy: 1.5286734471966925
Energy: 1.6538219579834035
Energy: 1.5286734471966925
Energy: 1.4167100586917585
Energy: 1.506477578848652
Energy: 1.4717278573730919
Energy: 1.5064775788497957

minimum gb energy = 1.3778065278542082 eV
minimum distance =  2.31434127946478 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.6850520499670738
Energy: 1.53893042325966
Energy: 1.669009697554787
Energy: 1.538930423259474
Energy: 1.5187166136103776
Energy: 1.4361751953793807
Energy: 1.443100064650428
Energy: 1.4361751953799167
Energy: 1.401954284617401
Energy: 1.544281470932758
Energy: 1.3930563551214288
Energy: 1.5442814709322217
Energy: 1.4667613960791084
Energy: 1.4287603474231692
Energy: 1.467061864230743
Energy: 1.4287603474237263
Energy: 1.5271757089055373
Energy: 1.4291822010986748
Energy: 1.4477361501529165
Energy: 1.429182201100118
Energy: 1.7979984842515642
Energy: 1.433332279154881
Energy: 1.3934327932682005
Energy: 1.4333322791525305
Energy: 1.374807237353861
Energy: 1.462103807535369
Energy: 1.453012706955562
Energy: 1.4621038075348125
Energy: 1.4337870829331116
Energy: 1.4277431408669183
Energy: 1.4796169040476166
Energy: 1.427743140866733
Energy: 1.4769051681788465
Energy: 1.54657304475651
Energy: 1.4370156447586084
Energy: 1.5465730447561599
Energy: 1.389472394024962
Energy: 1.5458328122939948
Energy: 1.4349295163129896
Energy: 1.545832812294531
Energy: 1.4296175357867726
Energy: 1.4288552138466026
Energy: 1.7849572081372367
Energy: 1.4288552138467883
Energy: 1.4768882031181783
Energy: 1.4262555064256908
Energy: 1.5654161343488617
Energy: 1.4262555064282272
Energy: 1.512880689296126
Energy: 1.429096889056336
Energy: 1.396051734279324
Energy: 1.4290968890558002
Energy: 1.3857094146857118
Energy: 1.4671234142284593
Energy: 1.588252364209993
Energy: 1.4671234142232008
Energy: 1.4633317428108654
Energy: 1.4294298467718212
Energy: 1.5319996523796449
Energy: 1.4294298467712852
Energy: 1.5282960102223093
Energy: 1.5473381448660526
Energy: 1.3354938877252673
Energy: 1.5473381448685886
Energy: 1.5239265857184483
Energy: 1.395321347380739
Energy: 1.5928835689569036
Energy: 1.395321347380739
Energy: 1.5529349211913641
Energy: 1.3942558515920036
Energy: 1.57299108933017
Energy: 1.3942558515925605
Energy: 1.68112396965334
Energy: 1.5481111861185106
Energy: 1.5113559889724197
Energy: 1.5481111861183248
Energy: 1.4568888813484906
Energy: 1.4300997804832276
Energy: 1.3806753830394507
Energy: 1.4300997804825057
Energy: 1.4027778684743653
Energy: 1.3925189607077275
Energy: 1.4496893567579858
Energy: 1.3925189607086346
Energy: 1.5226347178446187
Energy: 1.4303642287351932
Energy: 1.395181953275358
Energy: 1.4303642287348222

minimum gb energy = 1.3354938877252673 eV
minimum distance =  2.31188316649835 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.7723108601494584
Energy: 1.3580789802398006
Energy: 1.595875926281575
Energy: 1.3580789802410838
Energy: 1.709635587556447
Energy: 1.3901670980585308
Energy: 1.4963861834136545
Energy: 1.3901670980585308
Energy: 1.4431700967886167
Energy: 1.522880528618946
Energy: 1.551840648288581
Energy: 1.5228805286176628
Energy: 1.436591833740071
Energy: 1.342328341381972
Energy: 1.5159162849834693
Energy: 1.342328341381972
Energy: 1.4932219215676956
Energy: 1.423345384756373
Energy: 1.41593396447507
Energy: 1.42334538475509
Energy: 1.5991471517197378
Energy: 1.409708519219762
Energy: 1.4235407446501378
Energy: 1.409708519222328
Energy: 1.4435867422035404
Energy: 1.4414055024027053
Energy: 1.7535899264389347
Energy: 1.441405502401422
Energy: 1.417974887924582
Energy: 1.4094629565717787
Energy: 1.5241693347165266
Energy: 1.4094629565692125
Energy: 1.6185230534819486
Energy: 1.4230937309659615
Energy: 1.4073853000385943
Energy: 1.4230937309672445
Energy: 1.5282590411289316
Energy: 1.3397352614831421
Energy: 1.4310346154726044
Energy: 1.3397352614767266
Energy: 1.473355677991148
Energy: 1.519275708356823
Energy: 1.639961158258886
Energy: 1.519275708356823
Energy: 1.6757556109524827
Energy: 1.3410157625846353
Energy: 1.677734053126283
Energy: 1.3410157625718042
Energy: 1.669180611131263
Energy: 1.3404774829771082
Energy: 1.7501620227452377
Energy: 1.3404774829771082
Energy: 1.5242529232168756
Energy: 1.514299321160244
Energy: 1.6103243738261788
Energy: 1.5142993211628102
Energy: 1.473143591958933
Energy: 1.3410219192155504
Energy: 1.4175773951541886
Energy: 1.3410219192155504
Energy: 1.6278917405127997
Energy: 1.594785212748089
Energy: 1.4095151302692293
Energy: 1.5947852127506552
Energy: 1.4251333878841923
Energy: 1.4102133285895133
Energy: 1.5271446870130463
Energy: 1.4102133285895133
Energy: 1.4194854833559607
Energy: 1.4229769327819797
Energy: 1.6626505180091788
Energy: 1.422976932780697
Energy: 1.5995811211637776
Energy: 1.4098662637204
Energy: 1.4263625631250538
Energy: 1.4098662637204
Energy: 1.486810949472607
Energy: 1.4235464875684252
Energy: 1.3820346750208747
Energy: 1.4235464875684252
Energy: 1.4183369566507136
Energy: 1.441279496297809
Energy: 1.5195781081404809
Energy: 1.4412794962965259
Energy: 1.4158803045889266
Energy: 1.5222896440563356
Energy: 1.5347572500073323
Energy: 1.5222896440563356
Energy: 1.553373743557246
Energy: 1.461824553417684
Energy: 1.531181821777658
Energy: 1.4618245534151177
Energy: 1.6579414541622328
Energy: 1.324722712497063
Energy: 1.5963618702931064
Energy: 1.32472271249578
Energy: 1.709430002577058
Energy: 1.3188266329540044
Energy: 1.4505028572931609
Energy: 1.3188266329578537
Energy: 1.522906048982685
Energy: 1.5228070018576125
Energy: 1.5349443029438805
Energy: 1.5228070018563293
Energy: 1.4387262631739435
Energy: 1.3413470377249208
Energy: 1.5236832421269695
Energy: 1.341347037727487
Energy: 1.486804511326556
Energy: 1.4235500778444763
Energy: 1.70024728939529
Energy: 1.4235500778444763
Energy: 1.4816884541671291
Energy: 1.4089811352485675
Energy: 1.427775652760114
Energy: 1.4089811352460013
Energy: 1.7032122193229546
Energy: 1.4511832803126006
Energy: 1.745910919780537
Energy: 1.4511832803113174
Energy: 1.4278708012204873
Energy: 1.4090406845267713
Energy: 1.5260131865494329
Energy: 1.4090406845267713

minimum gb energy = 1.3188266329540044 eV
minimum distance =  2.29943357983536 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.0065189208950962
Energy: 1.2643473443442002
Energy: 1.5907487863050167
Energy: 1.2643473443437778
Energy: 1.6855804879253549
Energy: 1.2120152990489779
Energy: 1.241847459873252
Energy: 1.2120152990472397
Energy: 1.5722132276366814
Energy: 1.23651056937762
Energy: 1.2213700165171832
Energy: 1.236510569378489
Energy: 1.4701995200344062
Energy: 1.264689446400418
Energy: 1.2204531889534151
Energy: 1.264689446404788
Energy: 1.5209943312573766
Energy: 1.222295201790746
Energy: 1.2179084965779825
Energy: 1.222295201792484
Energy: 1.5172986466255518
Energy: 1.2338590314804656
Energy: 1.2206707030761819
Energy: 1.2338590314804656
Energy: 1.3977636054398932
Energy: 1.233065594160767
Energy: 1.540985592074547
Energy: 1.233065594162083
Energy: 1.0035451182013309
Energy: 1.232556662398392
Energy: 1.7944742329988888
Energy: 1.232556662398814
Energy: 1.689875146911269
Energy: 1.2478244942995131
Energy: 1.2544070594230128
Energy: 1.2478244942977748

minimum gb energy = 1.0035451182013309 eV
minimum distance =  2.32499397179956 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.3750897160363278
Energy: 1.1167577619859408
Energy: 1.602132065553255
Energy: 1.1167577619738753
Energy: 1.5865975520643227
Energy: 1.0800717935134514
Energy: 1.3958547727569968
Energy: 1.0800717935134514
Energy: 1.18642996108187
Energy: 1.3192465866138494
Energy: 1.332225263539017
Energy: 1.3192465866150616
Energy: 1.1874405577158587
Energy: 1.275160168461719
Energy: 1.5330211061839676
Energy: 1.2751601684641432
Energy: 1.1007448831078206
Energy: 1.3209967991883373
Energy: 1.219320424419141
Energy: 1.3209967991895493
Energy: 1.4644557473399733
Energy: 1.3730168989093214
Energy: 1.2400703274657194
Energy: 1.3730168989105336
Energy: 1.4631465032276114
Energy: 1.25714327285254
Energy: 1.3416220482772725
Energy: 1.257143272851328
Energy: 1.462841373713094
Energy: 1.2570012391258187
Energy: 1.3435975783232021
Energy: 1.2570012391258187
Energy: 1.7135340714222942
Energy: 1.16913771643007
Energy: 1.4107582010749136
Energy: 1.169137716431282
Energy: 1.5406068730061517
Energy: 1.1695290389784063
Energy: 1.4131951031750787
Energy: 1.1695290389784063
Energy: 1.379413172646955
Energy: 1.313304285184756
Energy: 1.4526695772145148
Energy: 1.3133042851799077
Energy: 1.3796798462104878
Energy: 1.3198984628017782
Energy: 1.1784245030514384
Energy: 1.3198984628029904
Energy: 1.56900612872803
Energy: 1.334270176905916
Energy: 1.133150696129513
Energy: 1.3342701769047038
Energy: 1.1851634287299773
Energy: 1.3224304088167618
Energy: 1.1328904925525054
Energy: 1.322430408817974
Energy: 1.2364496298216194
Energy: 1.1387004562968261
Energy: 1.5969837571512906
Energy: 1.1387004563016743
Energy: 1.537455099582894
Energy: 1.1786125874784517
Energy: 1.42391038885105
Energy: 1.1786125874808757
Energy: 1.3868020032080757
Energy: 1.1716804474666338
Energy: 1.4467782200705968
Energy: 1.171680447469058
Energy: 1.272842399995157
Energy: 1.2651069415021041
Energy: 1.341643644278005
Energy: 1.2651069415021041
Energy: 1.466710991053128
Energy: 1.2285712642453464
Energy: 1.1399271467653471
Energy: 1.2285712642453464
Energy: 1.264794339300917
Energy: 1.3229598359096615
Energy: 1.2445266453600272
Energy: 1.3229598359108734
Energy: 1.2689043755416096
Energy: 1.2784385149996713
Energy: 1.4127218188246906
Energy: 1.278438514997247
Energy: 1.3288700119142387
Energy: 1.318551186372032
Energy: 1.3204781229808678
Energy: 1.3185511863708201
Energy: 1.1833166859262547
Energy: 1.3178656789596237
Energy: 1.3187794570341944
Energy: 1.3178656789596237
Energy: 1.5153772020883065
Energy: 1.1126019385804662
Energy: 1.7389219104834257
Energy: 1.1126019385804662
Energy: 1.5171105851758222
Energy: 1.113617618446609
Energy: 1.7461153995992824
Energy: 1.113617618446609
Energy: 1.4918626037665415
Energy: 1.3178505245828798
Energy: 1.3226087945767109
Energy: 1.3178505245840921
Energy: 1.2448915469418027
Energy: 1.3177415732963942
Energy: 1.315561231531557
Energy: 1.3177415732963942
Energy: 1.2660142583397098
Energy: 1.2708620221084896
Energy: 1.3295067428427285
Energy: 1.2708620221084896
Energy: 1.2683977461927118
Energy: 1.3185121093427294
Energy: 1.2461171110310096
Energy: 1.3185121093439414
Energy: 1.4714176469473965
Energy: 1.3924193340446238
Energy: 1.1472002563323993
Energy: 1.39241933404826
Energy: 1.3726870212455096
Energy: 1.2616774678740774
Energy: 1.3440610949209997
Energy: 1.2616774678740774
Energy: 1.3223495952401867
Energy: 1.1338326689989675
Energy: 1.6935689337817914
Energy: 1.1338326689989675
Energy: 1.7100115735909145
Energy: 1.1787082705205356
Energy: 1.4198366338575097
Energy: 1.1787082705217478

minimum gb energy = 1.0800717935134514 eV
minimum distance =  2.30126698624294 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3064702437327556
Energy: 1.0591239577181697
Energy: 1.4137161533853537
Energy: 1.0591239577181697
Energy: 1.1275444606239708
Energy: 1.0528116349701147
Energy: 1.3037280679377965
Energy: 1.052811634976818
Energy: 1.2085129467986766
Energy: 1.2634108890750928
Energy: 1.5149214970400369
Energy: 1.2634108890750928
Energy: 1.313631142336803
Energy: 1.2676404965728003
Energy: 1.3290500849692675
Energy: 1.267640496576152
Energy: 1.110455173978587
Energy: 1.1366523334884393
Energy: 1.0927484356301487
Energy: 1.136652333481736
Energy: 1.0934109800493104
Energy: 1.1139695258100413
Energy: 1.0890268922170991
Energy: 1.1139695258083655
Energy: 1.4816304682665011
Energy: 1.271136315499509
Energy: 1.402140296461698
Energy: 1.271136315499509
Energy: 1.483240109748452
Energy: 1.2704182495598975
Energy: 1.4373339449444318
Energy: 1.2704182495598975
Energy: 1.4212105571854174
Energy: 1.11299505741853
Energy: 1.2475773557851542
Energy: 1.1129950575575873
Energy: 1.4212105571854174
Energy: 1.135517261465992
Energy: 1.240903939602288
Energy: 1.135517261464316
Energy: 1.4831327263641712
Energy: 1.2698998976549623
Energy: 1.4373339449444318
Energy: 1.269899897658314
Energy: 1.486351645669665
Energy: 1.2717911182481265
Energy: 1.4021402964600223
Energy: 1.2717911182481265
Energy: 1.0943127969863673
Energy: 1.1125778079741506
Energy: 1.0968428369802121
Energy: 1.1125778079741506
Energy: 1.1142531156155744
Energy: 1.1256633925928203
Energy: 1.102413401492478
Energy: 1.125663392532528
Energy: 1.1611566229136112
Energy: 1.266222460711109
Energy: 1.4770391153240252
Energy: 1.2662224607127468
Energy: 1.2085129467953248
Energy: 1.2637542638890773
Energy: 1.474308682633813
Energy: 1.2637542638957806
Energy: 1.0909064753146396
Energy: 1.006929792149172
Energy: 1.3265896656114562
Energy: 1.0069297921374414
Energy: 1.3064702437361073
Energy: 1.059123957716494
Energy: 1.4284283078279187
Energy: 1.0591239577198455
Energy: 1.1275444606172675
Energy: 1.0528116349617356
Energy: 1.303728067936121
Energy: 1.052811634946691
Energy: 1.2085129467986766
Energy: 1.263410889071741
Energy: 1.514921497038361
Energy: 1.263410889071741
Energy: 1.3136311423334515
Energy: 1.267640496576152
Energy: 1.329050084952547
Energy: 1.267640496576152
Energy: 1.1104551739769113
Energy: 1.136652333490115
Energy: 1.0927484356033352
Energy: 1.1366523334934668
Energy: 1.0934109800593657
Energy: 1.1139695258100413
Energy: 1.0890268921601582
Energy: 1.1139695258100413
Energy: 1.4816304682547703
Energy: 1.2711363154978332
Energy: 1.402140296463374
Energy: 1.2711363154978332

minimum gb energy = 1.0069297921374414 eV
minimum distance =  2.29011993257172 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4095865807357912
Energy: 1.0965365476592244
Energy: 1.5927285069100618
Energy: 1.0965365476592244
Energy: 1.261351938688735
Energy: 1.1324209851015794
Energy: 1.342338086491356
Energy: 1.1324209851057228
Energy: 1.1011168002386607
Energy: 1.2399977512177007
Energy: 1.2767929102324003
Energy: 1.239997751221844
Energy: 1.1955913805100515
Energy: 1.17978038994669
Energy: 1.5379711475578761
Energy: 1.1797803899456543
Energy: 1.2726224153744008
Energy: 1.2379991693558152
Energy: 1.313072492354643
Energy: 1.2379991693589227
Energy: 1.3982951651038047
Energy: 1.2817166758367498
Energy: 1.301918359860552
Energy: 1.2817166758388214
Energy: 1.2987072214123336
Energy: 1.293524340494185
Energy: 1.1021926868751053
Energy: 1.2935243404931493
Energy: 1.300809619151537
Energy: 1.2916904510597111
Energy: 1.2011342057075833
Energy: 1.2916904510597111
Energy: 1.4920028797741347
Energy: 1.1197215727597019
Energy: 1.4364978565195525
Energy: 1.1197215727700598
Energy: 1.5022711025061894
Energy: 1.130426137737963
Energy: 1.4349345233520527
Energy: 1.1304261377327838
Energy: 1.3480483519227782
Energy: 1.1813563080291625
Energy: 1.2010973183717977
Energy: 1.1813563080281264
Energy: 1.3462000468504447
Energy: 1.1818739474168087
Energy: 1.2530034157537744
Energy: 1.1818739474137012
Energy: 1.3142262602071417
Energy: 1.2914119956302104
Energy: 1.354996271550914
Energy: 1.2914119956260672
Energy: 1.2038221161683047
Energy: 1.238017855558569
Energy: 1.3567238313543184
Energy: 1.23801785556582
Energy: 1.1999476797219784
Energy: 1.3488764196735927
Energy: 1.359042811975632
Energy: 1.3488764196767002
Energy: 1.1665463644203429
Energy: 1.294420586906741
Energy: 1.2079559428550652
Energy: 1.2944205869046694
Energy: 1.4805023353465028
Energy: 1.1339410529994831
Energy: 1.094124856465315
Energy: 1.133941052998447
Energy: 1.355195041775526
Energy: 1.1948789162937345
Energy: 1.2944226780216235
Energy: 1.194878916296842
Energy: 1.297648601301913
Energy: 1.0450134850179873
Energy: 1.2421108055550594
Energy: 1.0450134850210948
Energy: 1.5051144188469325
Energy: 1.1442533056956792
Energy: 1.317517182517342
Energy: 1.1442533056977509
Energy: 1.031063291458051
Energy: 1.2234378236191499
Energy: 1.485984487124281
Energy: 1.2234378236160426
Energy: 1.3042439363245417
Energy: 1.2375658594152323
Energy: 1.0894037527158082
Energy: 1.2375658594152323
Energy: 1.4388374550171135
Energy: 1.2822345414033378
Energy: 1.2892696109288846
Energy: 1.2822345414043739
Energy: 1.2589574627508706
Energy: 1.2948165439353378
Energy: 1.1469560038299742
Energy: 1.2948165439332662
Energy: 1.258175674020431
Energy: 1.3476898969241802
Energy: 1.4119397326615044
Energy: 1.3476898969272875
Energy: 1.1452999030190942
Energy: 1.238158503850566
Energy: 1.2675086807466405
Energy: 1.2381585038547092
Energy: 1.330201234105473
Energy: 1.2351048056511928
Energy: 1.380142733885009
Energy: 1.2351048056491212
Energy: 1.3967385150863068
Energy: 1.050558422379989
Energy: 1.696480085182387
Energy: 1.0505584223789532
Energy: 1.3914482692393688
Energy: 1.0511297265215334
Energy: 1.4072361667909334
Energy: 1.0511297265215334
Energy: 1.0962301621635622
Energy: 1.2375961389559704
Energy: 1.2667018164943222
Energy: 1.2375961389580419
Energy: 1.1444473880979251
Energy: 1.23807797039197
Energy: 1.3811840354052431
Energy: 1.2380779703930058
Energy: 1.2582487138891214
Energy: 1.3498975190980842
Energy: 1.3002579865845887
Energy: 1.3498975191032634
Energy: 1.2597500891417834
Energy: 1.2940256629636149
Energy: 1.1487386295191426
Energy: 1.2940256629636149
Energy: 1.4372922487958
Energy: 1.2884714074277224
Energy: 1.0966937367578793
Energy: 1.2884714074266865
Energy: 1.30535011168703
Energy: 1.2377487803750933
Energy: 1.2049044784287735
Energy: 1.2377487803740574
Energy: 1.1907357646668113
Energy: 1.0884046421348306
Energy: 1.4341061721364878
Energy: 1.0884046421369022
Energy: 1.6858419463949461
Energy: 1.1349607705657567
Energy: 1.312026479179617
Energy: 1.1349607705574702
Energy: 1.298236593799963
Energy: 1.0439170991185867
Energy: 1.3020740878444776
Energy: 1.0439170991196223

minimum gb energy = 1.031063291458051 eV
minimum distance =  2.31729707821727 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2762386777207817
Energy: 1.0584356652896767
Energy: 1.4259758095948958
Energy: 1.0584356652905083
Energy: 1.0407531657399804
Energy: 1.14010237176192
Energy: 1.2186921505122914
Energy: 1.1401023717632752
Energy: 1.1873002392857248
Energy: 1.0441920905742397
Energy: 1.0874097948055859
Energy: 1.0441920906744864
Energy: 1.2306978364592696
Energy: 1.2068841574171372
Energy: 1.4243928053604613
Energy: 1.2068841573889575
Energy: 1.2212055449389378
Energy: 1.234573111126016
Energy: 1.044249050704692
Energy: 1.2345731111251848
Energy: 1.2182067666064904
Energy: 1.4175936334245147
Energy: 1.0455068079874803
Energy: 1.41759363342587
Energy: 1.2233394680058232
Energy: 1.0520351578387308
Energy: 1.046559686864113
Energy: 1.0520351578379301
Energy: 1.2232940104798644
Energy: 1.2187832264895981
Energy: 1.4356586696942804
Energy: 1.2187832264887972
Energy: 1.1831286346005645
Energy: 1.2153179233044111
Energy: 1.0868110665303556
Energy: 1.21531792329819
Energy: 1.2216742164479468
Energy: 1.2098085059268775
Energy: 1.069395359092572
Energy: 1.2098085060785873
Energy: 1.2285818543859446
Energy: 1.046128373393858
Energy: 1.4351447650002422
Energy: 1.0461283733925029
Energy: 1.2320295449581293
Energy: 1.0387283596938899
Energy: 1.435249510150077
Energy: 1.038728359703899
Energy: 1.1854429839438265
Energy: 1.2171367102654203
Energy: 1.0770209023501378
Energy: 1.2171367102684074
Energy: 1.1877327728237275
Energy: 1.2262610516360222
Energy: 1.0867611058256184
Energy: 1.2262610516379007
Energy: 1.2251497806331297
Energy: 1.1867117118536656
Energy: 1.4349734905143152
Energy: 1.1867117119062067

minimum gb energy = 1.0387283596938899 eV
minimum distance =  2.32344836908912 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1057340798851099
Energy: 1.0626501898739422
Energy: 1.320410391570606
Energy: 1.062650189875078
Energy: 1.019961086421399
Energy: 1.0686603994629882
Energy: 1.101949099070725
Energy: 1.068660399464124
Energy: 1.0452858265517657
Energy: 1.0788973393030745
Energy: 1.1872408461798802
Energy: 1.0788973393030745
Energy: 1.220776172864877
Energy: 1.1171800827831277
Energy: 1.1661092122835282
Energy: 1.117180082777448
Energy: 1.047161578490467
Energy: 1.191402800038435
Energy: 0.9861444279084642
Energy: 1.1914028000395709
Energy: 1.2914092384473295
Energy: 1.1833864073114233
Energy: 1.2120254071390817
Energy: 1.1833864073080154
Energy: 1.154400814118068
Energy: 1.0783291023857564
Energy: 1.1389362496408186
Energy: 1.0783291023857564
Energy: 1.1529709479533015
Energy: 1.1611547168722605
Energy: 1.147463159064671
Energy: 1.1611547168733967
Energy: 0.9888020722669553
Energy: 1.191259982705829
Energy: 1.0406340261433502
Energy: 1.191259982704693
Energy: 1.1124805091788215
Energy: 1.1831256430008175
Energy: 1.2885927088946043
Energy: 1.1831256429985455
Energy: 1.173189630555372
Energy: 1.076755416375089
Energy: 1.0459129904531195
Energy: 1.076755416373953
Energy: 1.1673152117116417
Energy: 1.0675514971157973
Energy: 1.1473647255263895
Energy: 1.067551497118069
Energy: 1.2266675629893131
Energy: 1.0597254516490333
Energy: 1.089277275886629
Energy: 1.0597254516478973
Energy: 1.1295679980637752
Energy: 1.0604293999157588
Energy: 0.8895937320140628
Energy: 1.0604293999168948
Energy: 1.1734732364790261
Energy: 1.0743307719462334
Energy: 1.045397599417255
Energy: 1.0743307719439612
Energy: 1.1677352331002078
Energy: 1.0683385433972417
Energy: 1.0453424474396207
Energy: 1.0683385433995136
Energy: 1.2255292184884632
Energy: 1.189696538432577
Energy: 1.042995203136309
Energy: 1.189696538433713
Energy: 0.9911854074406855
Energy: 1.1887386020410013
Energy: 1.2904973306892762
Energy: 1.1887386020421373
Energy: 1.1520023851861148
Energy: 1.0687629342489273
Energy: 1.1542081523433914
Energy: 1.0687629342432474
Energy: 1.1542424319569224
Energy: 1.06845588076039
Energy: 1.151963287574279
Energy: 1.0684558807694775
Energy: 1.2903508932689174
Energy: 1.1887482493058477
Energy: 0.9853971395694214
Energy: 1.1887482493081196
Energy: 1.041879646484065
Energy: 1.1896415374529725
Energy: 1.2255292184691522
Energy: 1.1896415374552445
Energy: 1.045342447449844
Energy: 1.068227143774588
Energy: 1.1677630521674938
Energy: 1.0682271437836757
Energy: 1.0453975994115752
Energy: 1.074950557224102
Energy: 1.1734668814858404
Energy: 1.074950557226374
Energy: 0.8899060735482489
Energy: 1.0603721447762116
Energy: 1.1304160598361044
Energy: 1.0603721447784835
Energy: 1.0893766478164006
Energy: 1.0592599771796902
Energy: 1.2266675630040804
Energy: 1.0592599771796902
Energy: 1.145971096793525
Energy: 1.0673588658255087
Energy: 1.1676412676451084
Energy: 1.0673588658277804
Energy: 1.0459129904667506
Energy: 1.076769424194387
Energy: 1.173489343713263
Energy: 1.076769424194387
Energy: 1.2886108277888475
Energy: 1.1831540801329579
Energy: 1.1155991618900052
Energy: 1.18315408012955
Energy: 1.0404972857758967
Energy: 1.191244248431732
Energy: 0.9888916882835712
Energy: 1.191244248431732
Energy: 1.1475373346643922
Energy: 1.161447973638531
Energy: 1.1530215402617874
Energy: 1.161447973637395
Energy: 1.1384754808699682
Energy: 1.0783047438821338
Energy: 1.1544092860732753
Energy: 1.0783047438809978
Energy: 1.2157956589193513
Energy: 1.183815926933389
Energy: 1.291301989836537
Energy: 1.1838159269322532
Energy: 0.9849645757961921
Energy: 1.1914038414452783
Energy: 1.048109541612166
Energy: 1.191403841446414
Energy: 1.1661985596690807
Energy: 1.1171679827330294
Energy: 1.2207782556296665
Energy: 1.1171679827364374

minimum gb energy = 0.8895937320140628 eV
minimum distance =  2.32426559636196 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.913558838323108
Energy: 0.7877604847893243
Energy: 1.24895799035466
Energy: 0.7877604847955648
Energy: 0.8655073914959407
Energy: 0.916752449155469
Energy: 0.9920129797491939
Energy: 0.9167524491572236
Energy: 1.1130964629867826
Energy: 0.9636414266332386
Energy: 0.9620317609922081
Energy: 0.9636414266332386
Energy: 1.1185766861629503
Energy: 1.0179139165309936
Energy: 1.0788966045252395
Energy: 1.017913916530416
Energy: 1.0048946340630134
Energy: 0.9628542682556278
Energy: 1.2305152190503175
Energy: 0.962854268255228
Energy: 1.2134853109914314
Energy: 1.097773882117511
Energy: 1.1656829024772972
Energy: 1.0977738821180882
Energy: 1.0412935074464955
Energy: 0.9641548590803413
Energy: 1.0356111486739152
Energy: 0.9641548590824732
Energy: 1.041957220819103
Energy: 1.231862462630819
Energy: 1.1526937727242639
Energy: 1.2318624626309966
Energy: 1.0454801239199256
Energy: 0.9601914170273315
Energy: 1.1494886267978746
Energy: 0.9601914170298631
Energy: 1.2356791569265413
Energy: 1.1064116340439065
Energy: 1.1841413573637842
Energy: 1.1064116340423522
Energy: 1.0198141270314307
Energy: 0.9641480207746235
Energy: 1.083072397133762
Energy: 0.9641480207783322
Energy: 1.0258126782685386
Energy: 1.1081993327196984
Energy: 1.1511274301884107
Energy: 1.1081993327206754
Energy: 1.113910848336904
Energy: 0.9594316486259112
Energy: 1.0750047611989821
Energy: 0.9594316486253339
Energy: 0.8721713039384642
Energy: 0.9513630253183134
Energy: 1.0801352642437172
Energy: 0.9513630253206453
Energy: 0.9422583316094301
Energy: 0.7834660112500503
Energy: 1.2314952841770537
Energy: 0.7834660112522045
Energy: 0.9403404879876311
Energy: 0.8899878351536625
Energy: 1.02030110334148
Energy: 0.8899878351534626
Energy: 1.1127461852865466
Energy: 0.9621726438144883
Energy: 1.0907666282027018
Energy: 0.9621726438158431
Energy: 1.115971761517611
Energy: 0.9473025672262054
Energy: 1.0898477471019414
Energy: 0.9473025672271825
Energy: 1.0200639521772057
Energy: 0.958235882571529
Energy: 1.2315404455935481
Energy: 0.9582358825725062
Energy: 1.0351116661699136
Energy: 1.1092558191023256
Energy: 1.2301703095280618
Energy: 1.1092558191021258

minimum gb energy = 0.7834660112500503 eV
minimum distance =  2.31412032175855 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.6819105316191939
Energy: 0.7823738441520148
Energy: 1.0892269188309358
Energy: 0.7823738441504888
Energy: 0.8166671896892912
Energy: 0.8239745774178457
Energy: 0.897615321332285
Energy: 0.8239745774178457
Energy: 0.932922031693914
Energy: 0.8126670385113468
Energy: 0.8754746556089671
Energy: 0.8126670385128728
Energy: 0.9504716642113832
Energy: 0.8871045699561083
Energy: 0.9984018859605526
Energy: 0.8871045699545822
Energy: 0.8466419294606502
Energy: 0.9093549993279028
Energy: 1.0260692008634975
Energy: 0.9093549993263766
Energy: 1.0017192066372715
Energy: 0.9985305597748516
Energy: 1.0492554086963015
Energy: 0.9985305597748516
Energy: 0.9002928718181736
Energy: 0.9093896192821234
Energy: 0.9525259122943489
Energy: 0.9093896192836497
Energy: 1.0607908993242028
Energy: 0.9914288023475276
Energy: 1.0903788982471794
Energy: 0.9914288023490537
Energy: 0.8979720071816315
Energy: 0.9092290851360215
Energy: 0.9932296066290095
Energy: 0.9092290851375479
Energy: 1.066476490152142
Energy: 1.0761529511344616
Energy: 1.01949284576734
Energy: 1.0761529511329355
Energy: 0.9165844958474216
Energy: 0.9087173660840716
Energy: 1.017970160035619
Energy: 0.9087173660840716
Energy: 1.0641073630507705
Energy: 0.9926446321283545
Energy: 1.091574596506864
Energy: 0.9926446321253022
Energy: 0.9156440810065207
Energy: 0.9091418370126267
Energy: 0.9620324795169579
Energy: 0.9091418370126267
Energy: 1.0636112869943897
Energy: 0.993248810603617
Energy: 0.9659683712598623
Energy: 0.9932488106066693
Energy: 0.8650356551418706
Energy: 0.9092189966383037
Energy: 1.034934240726931
Energy: 0.9092189966383037
Energy: 0.9512381762892429
Energy: 0.9007252766814314
Energy: 0.9971439624691745
Energy: 0.9007252766829574
Energy: 0.9326296511138867
Energy: 0.8157348053253458
Energy: 0.8987475875708597
Energy: 0.8157348053253458
Energy: 0.801813287603985
Energy: 0.7923714215491652
Energy: 0.8688609272369054
Energy: 0.7923714215491652
Energy: 0.7267300882338658
Energy: 0.7803437198357971
Energy: 1.0260158751565602
Energy: 0.780343719834271
Energy: 0.8039399378103316
Energy: 0.7705408196467822
Energy: 0.8962942036460003
Energy: 0.7705408196467822
Energy: 0.9327156595029322
Energy: 0.810382091084921
Energy: 0.8967496526923289
Energy: 0.8103820910879733
Energy: 0.9978966294012227
Energy: 0.8673571292689425
Energy: 0.9158588088379478
Energy: 0.8673571292674161
Energy: 0.8679108199525922
Energy: 0.9054632901958802
Energy: 1.0259031814842692
Energy: 0.9054632901943539
Energy: 1.0069187222192995
Energy: 0.901937689223597
Energy: 1.0494823922764671
Energy: 0.9019376892251231
Energy: 0.9010794058234628
Energy: 0.9031281901608524
Energy: 0.9618658036002284
Energy: 0.9031281901639047
Energy: 1.0969337650499702
Energy: 0.9955008937498063
Energy: 0.9793604845230418
Energy: 0.9955008937513324

minimum gb energy = 0.6819105316191939 eV
minimum distance =  2.31513186751643 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.6597472085832761
Energy: 0.7314866325918973
Energy: 0.9718302560741258
Energy: 0.7314866325931486
Energy: 0.7432930900937961
Energy: 0.7676228325029605
Energy: 0.8069920967404676
Energy: 0.7676228325004583
Energy: 0.8412135523361145
Energy: 0.7719805248950268
Energy: 0.7164897613638477
Energy: 0.7719805248962779
Energy: 0.8631546982959484
Energy: 0.8158824602351115
Energy: 0.8073020401680449
Energy: 0.8158824602338604
Energy: 0.7684047495417017
Energy: 0.7938297221062103
Energy: 0.9183857233352887
Energy: 0.7938297221062103
Energy: 0.9160510512007203
Energy: 0.857461314093246
Energy: 0.9226347695579709
Energy: 0.8574613140907437
Energy: 0.9829919573393162
Energy: 0.852363017879038
Energy: 0.8207993309894708
Energy: 0.852363017877787
Energy: 0.9524862742484899
Energy: 0.8868775317667809
Energy: 0.917644861325931
Energy: 0.8868775317667809
Energy: 0.8798155706280174
Energy: 0.8519733314301354
Energy: 0.902513328335152
Energy: 0.8519733314276332
Energy: 0.9762787567624038
Energy: 0.9523140901989158
Energy: 0.979697634920027
Energy: 0.9523140901989158
Energy: 0.9400929284321313
Energy: 0.8516687334611149
Energy: 0.8568158295381388
Energy: 0.8516687334636172
Energy: 0.9329104916001048
Energy: 0.9598228731531578
Energy: 0.9668725290351788
Energy: 0.9598228731569112
Energy: 0.9326262954486972
Energy: 0.8515819855819138
Energy: 0.8780631177281326
Energy: 0.8515819855806624
Energy: 0.9750973801087073
Energy: 0.9023506680125084
Energy: 0.9800853619271256
Energy: 0.9023506680112571
Energy: 0.9062378946511559
Energy: 0.8514555663152286
Energy: 0.8960145643053093
Energy: 0.8514555663152286
Energy: 0.9238411159348332
Energy: 0.9030088645422284
Energy: 0.9585687428765254
Energy: 0.9030088645434794
Energy: 0.9601102511168474
Energy: 0.851750002149472
Energy: 0.8301981047480558
Energy: 0.8517500021532256
Energy: 0.9154223014490694
Energy: 0.8392803136116055
Energy: 0.8922289836418293
Energy: 0.8392803136116055
Energy: 0.8026335733865025
Energy: 0.7923500828296638
Energy: 0.9146209925605377
Energy: 0.7923500828309149
Energy: 0.8360496400717785
Energy: 0.7910430473877083
Energy: 0.8671956694589343
Energy: 0.791043047386457
Energy: 0.8469024373844918
Energy: 0.7695717992390326
Energy: 0.7502529615895821
Energy: 0.7695717992365303
Energy: 0.7464414715708939
Energy: 0.7226252229631263
Energy: 0.7448223535294166
Energy: 0.722625222961875
Energy: 0.6805761398874784
Energy: 0.7300318462868005
Energy: 0.9261701015876439
Energy: 0.7300318462880516
Energy: 0.7628838852870093
Energy: 0.7189104593801385
Energy: 0.8109406473061047
Energy: 0.7189104593788875
Energy: 0.8446453510859948
Energy: 0.7693257709010721
Energy: 0.750520302262554
Energy: 0.7693257709035745
Energy: 0.8663794358559201
Energy: 0.7608884809762846
Energy: 0.8090903103976369
Energy: 0.760888480978787
Energy: 0.8009195570226979
Energy: 0.7906769700997972
Energy: 0.9188973987206586
Energy: 0.7906769700985459
Energy: 0.8641454486038527
Energy: 0.8236810807674066
Energy: 0.928202164032397
Energy: 0.8236810807661554
Energy: 0.9814857111270877
Energy: 0.8505685324728468
Energy: 0.8301780864288291
Energy: 0.8505685324728468
Energy: 0.9520122847064397
Energy: 0.8402685637429966
Energy: 0.9193154980474246
Energy: 0.840268563737992
Energy: 0.9062513712249692
Energy: 0.8505797622771482
Energy: 0.9019285767019961
Energy: 0.8505797622733946
Energy: 0.9063987332223787
Energy: 0.9039155797075741
Energy: 1.0081127992379915
Energy: 0.9039155797075741

minimum gb energy = 0.6597472085832761 eV
minimum distance =  2.32029550017648 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.6603382119599852
Energy: 0.6885844651597633
Energy: 0.9245969389830896
Energy: 0.6885844651608233
Energy: 0.7057222432854289
Energy: 0.70914923863614
Energy: 0.7417996846467176
Energy: 0.7091492386350801
Energy: 0.7687024453301867
Energy: 0.710497552935613
Energy: 0.7283778914212117
Energy: 0.7104975529345531
Energy: 0.7660358112359208
Energy: 0.7391178091131543
Energy: 0.7399386018316272
Energy: 0.7391178091237534
Energy: 0.7463354957056103
Energy: 0.7420472899789087
Energy: 0.8218121960589642
Energy: 0.7420472899810285
Energy: 0.7987635040620675
Energy: 0.7716405539566188
Energy: 0.8373992887163119
Energy: 0.7716405539587387
Energy: 0.872250230900816
Energy: 0.7562796908581293
Energy: 0.7567309859351794
Energy: 0.7562796908549497
Energy: 0.8429706602170844
Energy: 0.8002589011403026
Energy: 0.8416686221725451
Energy: 0.8002589011434823
Energy: 0.7872335278067982
Energy: 0.7951561914438752
Energy: 0.8206765082833059
Energy: 0.7951561914438752
Energy: 0.8446959614642986
Energy: 0.8194522379564168
Energy: 0.8852266334835283
Energy: 0.8194522379595965
Energy: 0.8496120907510877
Energy: 0.7950083590495214
Energy: 0.7601196524433076
Energy: 0.795008359053761
Energy: 0.8827172435179201
Energy: 0.8630200856884831
Energy: 0.8843748709087228
Energy: 0.8630200856884831
Energy: 0.8076014952566446
Energy: 0.7944733177058024
Energy: 0.7979125375215791
Energy: 0.7944733177036828
Energy: 0.8800217946434531
Energy: 0.8694980211243744
Energy: 0.8763527368798594
Energy: 0.8694980211254343
Energy: 0.8280622674616576
Energy: 0.7940588766716508
Energy: 0.7858319548363814
Energy: 0.7940588766727107
Energy: 0.8845537908567989
Energy: 0.8696400161233461
Energy: 0.8834527489262823
Energy: 0.869640016124406
Energy: 0.8456152062858047
Energy: 0.794423614158913
Energy: 0.7968269762877493
Energy: 0.7944236141642126
Energy: 0.8826587674664039
Energy: 0.8292117289471314
Energy: 0.8433244195760251
Energy: 0.829211728951371
Energy: 0.8125487659347911
Energy: 0.7947656009620705
Energy: 0.8106724702886765
Energy: 0.7947656009610106
Energy: 0.8447587243311664
Energy: 0.8210797392558435
Energy: 0.8420353006551576
Energy: 0.8210797392537237
Energy: 0.8757787849798963
Energy: 0.7554246560807537
Energy: 0.7712967800006217
Energy: 0.7554246560818136
Energy: 0.8273216930468758
Energy: 0.7918322058081704
Energy: 0.7999355593210645
Energy: 0.7918322058071104
Energy: 0.7652236312565096
Energy: 0.7409541063856455
Energy: 0.8161467440529664
Energy: 0.7409541063814541
Energy: 0.7633432654770589
Energy: 0.7329167431813877
Energy: 0.7392556755967882
Energy: 0.732916743184519
Energy: 0.7678030099914803
Energy: 0.7098022650156959
Energy: 0.7305260595080113
Energy: 0.709802265014636
Energy: 0.6917523478059913
Energy: 0.6840154338547417
Energy: 0.7058184214543028
Energy: 0.6840154338536818
Energy: 0.6723798599968486
Energy: 0.6883633815208475
Energy: 0.8201740903892536
Energy: 0.688363381515548
Energy: 0.7055164937804154
Energy: 0.6825660335731767
Energy: 0.7428579332604652
Energy: 0.6825660335752965
Energy: 0.7713869243864726
Energy: 0.709616461522392
Energy: 0.7307766153641896
Energy: 0.709616461522392
Energy: 0.7848217979778964
Energy: 0.7098326977095981
Energy: 0.7602050648923128
Energy: 0.7098326977085864
Energy: 0.7618837701705339
Energy: 0.7408834186546779
Energy: 0.8212675911203464
Energy: 0.740883418653618
Energy: 0.7975546655346617
Energy: 0.7541135660412379
Energy: 0.8361339787302174
Energy: 0.754113566039118
Energy: 0.8782554935521526
Energy: 0.7545031721424448
Energy: 0.7698961537286831
Energy: 0.7545031721456243
Energy: 0.8802083308101468
Energy: 0.7757388401192459
Energy: 0.8020281057297355
Energy: 0.7757388401203058
Energy: 0.8120716802999416
Energy: 0.7939381303283334
Energy: 0.8638789988790616
Energy: 0.7939381303262135
Energy: 0.8433500231545729
Energy: 0.8208282501234148
Energy: 0.8839015454906186
Energy: 0.8208282501244747
Energy: 0.8543762605999033
Energy: 0.792822693175216
Energy: 0.7953607857840603
Energy: 0.7928226931773359

minimum gb energy = 0.6603382119599852 eV
minimum distance =  2.32955068043859 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.6308066566595822
Energy: 0.6106640669849464
Energy: 0.7306969901111662
Energy: 0.6106640669831078
Energy: 0.5699861700344632
Energy: 0.6048626244162477
Energy: 0.6209713773006201
Energy: 0.6048626244171669
Energy: 0.6429247102190941
Energy: 0.612839175821685
Energy: 0.631787761192925
Energy: 0.612839175821685
Energy: 0.6611486379987315
Energy: 0.6141404962523178
Energy: 0.6208227917877993
Energy: 0.6141404962523178
Energy: 0.6335213056510381
Energy: 0.62463490433183
Energy: 0.7015262589125708
Energy: 0.6246349043299915
Energy: 0.6580673423814093
Energy: 0.6115961957202428
Energy: 0.650719060773511
Energy: 0.6115961957202428
Energy: 0.76094737051007
Energy: 0.6379984615257326
Energy: 0.6131710559248381
Energy: 0.6379984615266518
Energy: 0.7175224437803551
Energy: 0.67511915738684
Energy: 0.676056204350291
Energy: 0.6751191573877593
Energy: 0.619383137422695
Energy: 0.626802618497266
Energy: 0.7975409367834342
Energy: 0.626802618497266
Energy: 0.7091724842085845
Energy: 0.671144144622442
Energy: 0.7239646592317442
Energy: 0.6711441446233611
Energy: 0.7181489807467277
Energy: 0.6267424439804314
Energy: 0.6404042853277035
Energy: 0.6267424439795122
Energy: 0.7911000771470952
Energy: 0.7176615219917206
Energy: 0.7156555859131944
Energy: 0.7176615219917206
Energy: 0.6406871424463213
Energy: 0.6263219824739026
Energy: 0.7435528905699101
Energy: 0.6263219824766604
Energy: 0.776240523004622
Energy: 0.793860361749047
Energy: 0.7893026395626305
Energy: 0.793860361749047
Energy: 0.6715263438246554
Energy: 0.6261343997243675
Energy: 0.6717427971111818
Energy: 0.6261343997243675
Energy: 0.793593838415207
Energy: 0.8009917095938022
Energy: 0.7770332600312032
Energy: 0.8009917095947214
Energy: 0.6524523209408724
Energy: 0.6250407651485937
Energy: 0.7067470032394968
Energy: 0.6250407651513515
Energy: 0.7786713338881558
Energy: 0.7999978920696197
Energy: 0.7958895738363857
Energy: 0.7999978920696197
Energy: 0.6465311505396565
Energy: 0.6250581551833692
Energy: 0.7304235163628762
Energy: 0.6250581551833692
Energy: 0.7246328875505168
Energy: 0.7235522125653909
Energy: 0.7610966432903921
Energy: 0.7235522125681487
Energy: 0.71512781273373
Energy: 0.6262018455665023
Energy: 0.6478678389382669
Energy: 0.6262018455738563
Energy: 0.6975842239648102
Energy: 0.7212820112549423
Energy: 0.7235357989768274
Energy: 0.7212820112540231
Energy: 0.6213803013329166
Energy: 0.624096820736105
Energy: 0.799297566629024
Energy: 0.6240968207462168
Energy: 0.6566333005755812
Energy: 0.6639587031279299
Energy: 0.7131883027867129
Energy: 0.6639587031306877
Energy: 0.7631494549104111
Energy: 0.6373933290436639
Energy: 0.6205680903313644
Energy: 0.6373933290445832
Energy: 0.6586473569911159
Energy: 0.6192835887467523
Energy: 0.6533902107833214
Energy: 0.619283588745833
Energy: 0.5877911742413103
Energy: 0.6307883554879193
Energy: 0.7049433223433189
Energy: 0.6307883554870002
Energy: 0.6205276336085487
Energy: 0.6167419177862746
Energy: 0.6178327097713374
Energy: 0.6167419177853554
Energy: 0.6429934732266174
Energy: 0.6005664537950282
Energy: 0.5697993682717772
Energy: 0.6005664537931895
Energy: 0.5716381608181629
Energy: 0.5625839522782257
Energy: 0.6195519890554746
Energy: 0.5625839522754679
Energy: 0.5356506382978612
Energy: 0.5821533522416027
Energy: 0.702008550464873
Energy: 0.5821533522443603
Energy: 0.5876031146059684
Energy: 0.5641264428341929
Energy: 0.6217495523529919
Energy: 0.5641264428351122
Energy: 0.6433127991048216
Energy: 0.6006808846351069
Energy: 0.5780043411624043
Energy: 0.6006808846369454
Energy: 0.6662671894788819
Energy: 0.5728084617554748
Energy: 0.6197396474525619
Energy: 0.5728084617554748
Energy: 0.5876359886217938
Energy: 0.6306302939890691
Energy: 0.7020128172064515
Energy: 0.6306302939899885
Energy: 0.6195643147016225
Energy: 0.5949478902317151
Energy: 0.709196851653292
Energy: 0.594947890230796
Energy: 0.7610534182129052
Energy: 0.6367582875466214
Energy: 0.6208341897024194
Energy: 0.6367582875466214
Energy: 0.7199024955150818
Energy: 0.6334808572934002
Energy: 0.67008376461159
Energy: 0.6334808572934002
Energy: 0.6212794010813074
Energy: 0.6252691706059251
Energy: 0.799093084794333
Energy: 0.6252691706004097
Energy: 0.658041157460506
Energy: 0.6494852783800731
Energy: 0.7873726158942632
Energy: 0.6494852783782346
Energy: 0.717830050809627
Energy: 0.6270382326128605
Energy: 0.6479745633470807
Energy: 0.6270382326101028
Energy: 0.7917318301071551
Energy: 0.7229271359558815
Energy: 0.7164748824110881
Energy: 0.7229271359558815
Energy: 0.6456136665571611
Energy: 0.6690608997883588
Energy: 0.7425128444938685
Energy: 0.669060899789278

minimum gb energy = 0.5356506382978612 eV
minimum distance =  2.32543391781459 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014576230960013698
Energy: 0.015197678310878591
Energy: 1.2146133479623924
Energy: 0.015197678310878591
Energy: 0.025514098126654564
Energy: 0.7465153852128016
Energy: 0.025514098127361242
Energy: 0.746515385216963
Energy: 1.2146133479651406
Energy: 0.015197678310211177
Energy: 0.014576230960013698
Energy: 0.015197678310878591
Energy: 0.025514098126654564
Energy: 0.746515385216963
Energy: 0.02551409812594789
Energy: 0.7465153852162563
Energy: 0.014576230960013698
Energy: 0.015197678310878591
Energy: 1.2146133479603116
Energy: 0.015197678310211177
Energy: 0.025514098126654564
Energy: 0.7465153852107209
Energy: 0.025514098126654564
Energy: 0.746515385216963

minimum gb energy = 0.014576230960013698 eV
minimum distance =  2.46077751641638 Angstroms
sigma value = 1