Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978306984
mass=58.6934
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: 0.018146670578932062
Energy: 0.018404690554762213
Energy: 1.4669378422349828
Energy: 0.018404690554101204
Energy: 0.018404690554101204
Energy: 1.2243205973102695
Energy: 0.018404690554101204
Energy: 1.2243205973102695
Energy: 1.466937842235644
Energy: 0.018404690554762213
Energy: 0.018146670578271056
Energy: 0.018404690554101204
Energy: 0.018404690554101204
Energy: 1.2243205973102695
Energy: 0.018404690554101204
Energy: 1.2243205973102695

minimum gb energy = 0.018146670578271056 eV
minimum distance =  2.42645588156139 Angstroms
sigma value = 1


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

Energy: 1.5683714893617697
Energy: 1.5483789033228939
Energy: 1.4556494185834892
Energy: 1.5483789033244972
Energy: 1.445390247344566
Energy: 1.4949934144780597
Energy: 1.4530573781297471
Energy: 1.494993414478861
Energy: 1.4030913619833387
Energy: 1.5344869273899449
Energy: 1.488837386924631
Energy: 1.5344869273899449
Energy: 1.4369781585523567
Energy: 1.5070866163025283
Energy: 1.401583806640403
Energy: 1.5070866163017267
Energy: 1.409008997878336
Energy: 1.554576200324135
Energy: 1.4702485784188886
Energy: 1.554576200324135
Energy: 1.37836734058558
Energy: 1.71871465907843
Energy: 1.3768916279897891
Energy: 1.7187146590792315
Energy: 1.4493581859267404
Energy: 1.5319393090568272
Energy: 1.3800390945919438
Energy: 1.5319393090560254
Energy: 1.3209132895254894
Energy: 1.5575996687674332
Energy: 1.376456751377883
Energy: 1.5575996687682347
Energy: 1.4007394266308795
Energy: 1.7368681565626474
Energy: 1.4607688583806138
Energy: 1.7368681565626474
Energy: 1.365035623806725
Energy: 1.533176848843377
Energy: 1.3130181094553037
Energy: 1.533176848843377
Energy: 1.4731104755110769
Energy: 1.5133800132632864
Energy: 1.400697773352273
Energy: 1.5133800132632864
Energy: 1.4634862160016007
Energy: 1.554871622898298
Energy: 1.3808431729654103
Energy: 1.554871622898298
Energy: 1.4509485554994186
Energy: 1.5305676161176853
Energy: 1.4479435100092635
Energy: 1.5305676161168835
Energy: 1.4173348680227165
Energy: 1.5392512639481428
Energy: 1.3897760147726839
Energy: 1.5392512639481428
Energy: 1.4310051939805153
Energy: 1.5493595558248567
Energy: 1.4450631989440985
Energy: 1.5493595558248567
Energy: 1.4291542094374727
Energy: 1.5488487940779025
Energy: 1.4444826296163318
Energy: 1.5488487940787041
Energy: 1.4890310549067638
Energy: 1.5344855554744272
Energy: 1.3589374019741112
Energy: 1.534485555475229
Energy: 1.453042142833235
Energy: 1.5033812344776627
Energy: 1.483866839994775
Energy: 1.5033812344776627
Energy: 1.3348963485590002
Energy: 1.5541552263549052
Energy: 1.379282222426675
Energy: 1.5541552263549052
Energy: 1.4836325208183938
Energy: 1.7155819279729223
Energy: 1.403158637752113
Energy: 1.715581927973724
Energy: 1.3798982484748126
Energy: 1.5345799344981474
Energy: 1.3258998840200684
Energy: 1.5345799344973456
Energy: 1.401057591681312
Energy: 1.4249408159719168
Energy: 1.4627997885425985
Energy: 1.424940815971115
Energy: 1.4312391507815885
Energy: 1.5545557162055277
Energy: 1.363397187805481
Energy: 1.554555716204726
Energy: 1.4138019863785758
Energy: 1.530354436591784
Energy: 1.378308464807584
Energy: 1.5303544365909827
Energy: 1.3800304981318443
Energy: 1.7189266972889898
Energy: 1.448158226225458
Energy: 1.7189266972897914
Energy: 1.4057784995478948
Energy: 1.555462629908686
Energy: 1.3946161127643626
Energy: 1.555462629908686
Energy: 1.4406070333762686
Energy: 1.7472174978228068
Energy: 1.4006293891248875
Energy: 1.7472174978236084
Energy: 1.3913185044478977
Energy: 1.5305487984762465
Energy: 1.545970691603144
Energy: 1.5305487984762465
Energy: 1.444215024006868
Energy: 1.4913145164442916
Energy: 1.4477476079091098
Energy: 1.4913145164442916
Energy: 1.5149433384835977
Energy: 1.550037169257803
Energy: 1.4633156228514534
Energy: 1.550037169257803
Energy: 1.4494429289283004
Energy: 1.5378073406386414
Energy: 1.450912728225085
Energy: 1.537807340639443
Energy: 1.4157010945078465
Energy: 1.5297164814163673
Energy: 1.4168168931240441
Energy: 1.529716481417169
Energy: 1.4087944133392523
Energy: 1.5076951657199589
Energy: 1.4060161896499181
Energy: 1.5076951657215623

minimum gb energy = 1.3130181094553037 eV
minimum distance =  2.24139114778658 Angstroms
sigma value = 1


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

Energy: 1.6646000933774647
Energy: 1.6474104985489322
Energy: 1.5480361452870481
Energy: 1.6474104985498463
Energy: 1.4951014304992292
Energy: 1.5878676890140446
Energy: 1.5109115893188443
Energy: 1.5878676890131307
Energy: 1.4562655557315216
Energy: 1.6505577911998113
Energy: 1.531709044384377
Energy: 1.6505577912007252
Energy: 1.448691285408804
Energy: 1.4632441135945322
Energy: 1.433230000883344
Energy: 1.4632441135954461
Energy: 1.4487834491866056
Energy: 1.619857701082852
Energy: 1.5048645638881903
Energy: 1.6198577010810244
Energy: 1.5505671221131723
Energy: 1.6199917493984712
Energy: 1.532075218566415
Energy: 1.6199917493975573
Energy: 1.4950700592477542
Energy: 1.4636722193593146
Energy: 1.4528654717858693
Energy: 1.4636722193593146
Energy: 1.366979190320096
Energy: 1.6511014130781307
Energy: 1.4208422277137545
Energy: 1.6511014130763026
Energy: 1.449377197596286
Energy: 2.080612711880787
Energy: 1.5504652272749209
Energy: 2.080612711880787
Energy: 1.4373715403109217
Energy: 1.6506352283312409
Energy: 1.5061583408150274
Energy: 1.6506352283294128
Energy: 1.4962239649270606
Energy: 1.5678188102945176
Energy: 1.5180949033254991
Energy: 1.5678188102972181
Energy: 1.409394358868819
Energy: 1.6319499646295752
Energy: 1.4787007720891396
Energy: 1.6319499646277469
Energy: 1.5349502417486773
Energy: 1.6144916818387585
Energy: 1.5007711656116423
Energy: 1.6144916818369308
Energy: 1.5348695075921788
Energy: 1.614515017242254
Energy: 1.4600954962714106
Energy: 1.6145150172395117
Energy: 1.4092308163427785
Energy: 1.6319306575818118
Energy: 1.5734538402219365
Energy: 1.6319306575818118
Energy: 1.496084287274421
Energy: 1.5676703988452758
Energy: 1.5107644828859608
Energy: 1.567670398843448
Energy: 1.4376101222080655
Energy: 1.6503653837385248
Energy: 1.3902416741186079
Energy: 1.6503653837385248
Energy: 1.4495406831021396
Energy: 2.080669910862548
Energy: 1.550366414898955
Energy: 2.080669910863462
Energy: 1.36696099792045
Energy: 1.6504151039738817
Energy: 1.420891557911916
Energy: 1.6504151039729678
Energy: 1.495024724227072
Energy: 1.4634934902254508
Energy: 1.433010391889582
Energy: 1.463493490228193
Energy: 1.5504766852423322
Energy: 1.6200157045891361
Energy: 1.4027788429455719
Energy: 1.6200157045863943
Energy: 1.4490225968739285
Energy: 1.6198841241151465
Energy: 1.5061873600552504
Energy: 1.6198841241133184
Energy: 1.4488517154088638
Energy: 1.463182207148238
Energy: 1.4303165238389728
Energy: 1.4631822071454959
Energy: 1.4562733745526175
Energy: 1.6505762666357229
Energy: 1.5765075690085186
Energy: 1.650576266637551
Energy: 1.4952525911242753
Energy: 1.5937149478800956
Energy: 1.5106720423165054
Energy: 1.5937149478800956
Energy: 1.6646000933774647
Energy: 1.6474104985489322
Energy: 1.5480361452870481
Energy: 1.6474104985498463
Energy: 1.4951014304992292
Energy: 1.5878676890149588
Energy: 1.5109115893188443
Energy: 1.5878676890140446
Energy: 1.4562655557315216
Energy: 1.6505577911998113
Energy: 1.47889429830071
Energy: 1.6505577912007252
Energy: 1.448691285408804
Energy: 1.4632441135945322
Energy: 1.4332300008842578
Energy: 1.4632441135954461

minimum gb energy = 1.36696099792045 eV
minimum distance =  2.23887867703565 Angstroms
sigma value = 25


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

Energy: 1.562414944592792
Energy: 1.7144424839014845
Energy: 1.70574294506178
Energy: 1.7144424839014845
Energy: 1.588280929820729
Energy: 1.6419887653119696
Energy: 1.5242916887965074
Energy: 1.6419887653119696
Energy: 1.530477068342924
Energy: 1.7695184656050786
Energy: 1.5312302112927856
Energy: 1.769518465606141
Energy: 1.5327993305754861
Energy: 1.5399586950869217
Energy: 1.4860514265715874
Energy: 1.5399586950869217
Energy: 1.4869602431217694
Energy: 1.742149064867691
Energy: 1.5840018429408624
Energy: 1.7421490648687532
Energy: 1.638637745159614
Energy: 1.7677288003280445
Energy: 1.7469650252522426
Energy: 1.7677288003280445
Energy: 1.5862494748964637
Energy: 1.5252151412439972
Energy: 1.52465748607124
Energy: 1.5252151412429347
Energy: 1.7452772925813471
Energy: 1.7217082930406284
Energy: 1.443930615774834
Energy: 1.7217082930416912
Energy: 1.5245257274572819
Energy: 1.641498965608929
Energy: 1.5860290627727398
Energy: 1.641498965608929
Energy: 1.5267794123149927
Energy: 1.768296638463139
Energy: 1.4762761448299593
Energy: 1.768296638463139
Energy: 1.5833009877065845
Energy: 1.7120763510482873
Energy: 1.5859808991226876
Energy: 1.7120763510472246
Energy: 1.5487289460073759
Energy: 1.7142927822633507
Energy: 1.5230926528142352
Energy: 1.7142927822633507
Energy: 1.5309616280770872
Energy: 1.661634452913972
Energy: 1.47432316224292
Energy: 1.661634452913972
Energy: 1.5241216030050804
Energy: 1.6301773625734435
Energy: 1.597907922920349
Energy: 1.6301773625734435
Energy: 1.584790294546645
Energy: 1.723916193320189
Energy: 1.4426105013588626
Energy: 1.7239161933191265
Energy: 1.5865781052576158
Energy: 1.5338452971936816
Energy: 1.4861194524671457
Energy: 1.5338452971936816
Energy: 1.4222971457289302
Energy: 1.7697316524215652
Energy: 1.4221422089923048
Energy: 1.7697316524215652
Energy: 1.485645056846807
Energy: 1.6517114961082353
Energy: 1.5853442674215852
Energy: 1.6517114961082353
Energy: 1.5177316947435766
Energy: 1.6725382988212931
Energy: 1.486787474799413
Energy: 1.6725382988212931
Energy: 1.5984662292654963
Energy: 1.7673046481444774
Energy: 1.5329648418923807
Energy: 1.7673046481444774
Energy: 1.5341926738173994
Energy: 1.6411615794653418
Energy: 1.5232320244344313
Energy: 1.6411615794653418
Energy: 1.5636522806190218
Energy: 1.71565573056678
Energy: 1.6500039894241028
Energy: 1.71565573056678
Energy: 1.5863812487033202
Energy: 1.652082728830555
Energy: 1.5230933294675513
Energy: 1.652082728830555
Energy: 1.5283395749455182
Energy: 1.7679286284821456
Energy: 1.527027103043393
Energy: 1.7679286284810831
Energy: 1.58690838983105
Energy: 1.5396208165586103
Energy: 1.4870162976592283
Energy: 1.5396208165586103

minimum gb energy = 1.4221422089923048 eV
minimum distance =  2.23553491421381 Angstroms
sigma value = 9


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

Energy: 1.6298644649428937
Energy: 1.6301337877954094
Energy: 1.879308543699426
Energy: 1.6301337877941418
Energy: 1.5688721239135897
Energy: 1.726620608783481
Energy: 1.5892061362390966
Energy: 1.7266206087822424
Energy: 1.605078632997263
Energy: 1.6469642743617423
Energy: 1.622638163021284
Energy: 1.64696427436301
Energy: 1.8990643374159586
Energy: 1.6144300276413999
Energy: 1.5197274028864662
Energy: 1.614430027642667
Energy: 1.7338353604204675
Energy: 1.7277708630962327
Energy: 1.8787202436124526
Energy: 1.7277708630962327
Energy: 1.4686374996747946
Energy: 1.6459948693362028
Energy: 1.640496355239844
Energy: 1.6459948693362028
Energy: 1.5841629204654852
Energy: 1.518912110308627
Energy: 1.5199471673195561
Energy: 1.5189121103073593
Energy: 1.6666368752820477
Energy: 1.6458976616445837
Energy: 1.50212414894499
Energy: 1.6458976616458516
Energy: 1.5850084914865505
Energy: 1.7265399917049196
Energy: 1.6879260718635132
Energy: 1.7265399917049196
Energy: 1.6231175382671494
Energy: 1.6307670911903926
Energy: 1.640847532918481
Energy: 1.630767091191631
Energy: 1.5284112433680888
Energy: 1.7432612806550305
Energy: 1.6055901638098602
Energy: 1.7432612806550305
Energy: 1.6247110351953997
Energy: 1.7165456980025473
Energy: 1.5199142574655706
Energy: 1.7165456980025473
Energy: 1.46834334946457
Energy: 1.6470653537417894
Energy: 1.6646526399085244
Energy: 1.6470653537430573
Energy: 1.602730978260368
Energy: 1.6014942272095412
Energy: 1.5881939531643687
Energy: 1.6014942272095412
Energy: 1.4683545853197337
Energy: 1.6470801752164528
Energy: 1.6669481875500782
Energy: 1.6470801752164528
Energy: 1.624807358175282
Energy: 1.7164354488439453
Energy: 1.5201381209560223
Energy: 1.7164354488439453
Energy: 1.528652115515605
Energy: 1.7432858328612912
Energy: 1.6200772776296213
Energy: 1.7432858328612912
Energy: 1.6231515071741005
Energy: 1.6305778516741016
Energy: 1.6410062496666977
Energy: 1.6305778516741016
Energy: 1.5848223302853102
Energy: 1.7268996323619803
Energy: 1.589371942539832
Energy: 1.7268996323619803
Energy: 1.666816745304905
Energy: 1.646140386170277
Energy: 1.5021202901695117
Energy: 1.6461403861715445
Energy: 1.584034944403906
Energy: 1.5190117042601012
Energy: 1.520134005757452
Energy: 1.5190117042601012

minimum gb energy = 1.46834334946457 eV
minimum distance =  2.32865479843918 Angstroms
sigma value = 25


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

Energy: 1.5413556876561818
Energy: 1.8897300249090925
Energy: 1.7424839171790796
Energy: 1.8897300249090925
Energy: 1.51366406736456
Energy: 1.5554247217311679
Energy: 1.493900254640708
Energy: 1.5554247217327355
Energy: 1.7040793118523625
Energy: 1.7958532467298087
Energy: 1.4942833487016718
Energy: 1.7958532467329438
Energy: 1.5398741749992346
Energy: 1.7782963581605122
Energy: 1.7532810890923998
Energy: 1.7782963581542421
Energy: 1.7526503576911632
Energy: 1.5133344373865307
Energy: 1.493809430992499
Energy: 1.5133344373849633
Energy: 1.4934117480680278
Energy: 1.7943756040140906
Energy: 1.7026366988076447
Energy: 1.7943756040140906
Energy: 1.4951193592731962
Energy: 1.7350541675025635
Energy: 1.4933523366588732
Energy: 1.7350541675025635
Energy: 1.7325647759246148
Energy: 1.6297548633536323
Energy: 1.540371549390868
Energy: 1.6297548633536323
Energy: 1.49418492693825
Energy: 1.632995319305142
Energy: 1.5159387600435485
Energy: 1.632995319305142
Energy: 1.7931328919710754
Energy: 1.6616476979945944
Energy: 1.7023599953019022
Energy: 1.661647697996162
Energy: 1.6473419190288194
Energy: 1.7774711561085696
Energy: 1.985850080222599
Energy: 1.7774711561085696
Energy: 1.49376635153749
Energy: 1.562312676083168
Energy: 1.7939583756177755
Energy: 1.5623126760816004
Energy: 1.7423759012695539
Energy: 1.7948993516826028
Energy: 1.4933178726263971
Energy: 1.7948993516841707
Energy: 1.4940648730891926
Energy: 1.759941478947925
Energy: 1.7501798831207886
Energy: 1.7599414789494925
Energy: 1.4936820076994088
Energy: 1.7573278451450818
Energy: 1.7325513497864584
Energy: 1.7573278451356766
Energy: 1.5133394927379982
Energy: 1.6620914597907437
Energy: 1.4935132851858686
Energy: 1.6620914597860408
Energy: 1.4934204275137355
Energy: 1.6379693803869781
Energy: 1.7934976477935243
Energy: 1.6379693803869781

minimum gb energy = 1.4933178726263971 eV
minimum distance =  2.32101767089922 Angstroms
sigma value = 17


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

Energy: 1.6731341182654258
Energy: 1.6736668895278102
Energy: 2.028298180945629
Energy: 1.6736668895278102
Energy: 1.7634049688073283
Energy: 1.7048434397894112
Energy: 1.5267604946022586
Energy: 1.7048434397894112
Energy: 1.9351891524041036
Energy: 1.6648408024860535
Energy: 1.5254049784235915
Energy: 1.6648408024869412
Energy: 1.5278589037265278
Energy: 1.8661098367105817
Energy: 1.6836195377035543
Energy: 1.8661098367105817
Energy: 1.8239183914423922
Energy: 1.644549415310898
Energy: 1.6010343900626605
Energy: 1.6445494153100102
Energy: 1.5449738895603833
Energy: 1.696562131725856
Energy: 1.9025407858193282
Energy: 1.696562131725856
Energy: 1.527875035094811
Energy: 1.702488484886614
Energy: 1.6149340257496763
Energy: 1.702488484886614
Energy: 1.9341083515769548
Energy: 1.6953000409468617
Energy: 1.5430748648258932
Energy: 1.6953000409468617
Energy: 1.544245243427536
Energy: 1.6982255159488937
Energy: 1.8178722284417448
Energy: 1.6982255159497814
Energy: 1.9249764960899902
Energy: 1.6431262513142542
Energy: 1.5262077200887911
Energy: 1.6431262513142542
Energy: 1.5315836313521585
Energy: 1.7083305648624358
Energy: 1.9316125883873938
Energy: 1.7083305648633236
Energy: 1.5445977242979727
Energy: 1.700491242159543
Energy: 1.5447727996611504
Energy: 1.700491242159543
Energy: 1.7554258283465822
Energy: 1.6736265977154803
Energy: 1.6799328695855105
Energy: 1.6736265977154803
Energy: 1.5254907036871876
Energy: 1.7227578816042324
Energy: 1.7653965457920557
Energy: 1.7227578815705367
Energy: 1.6972010061750484
Energy: 1.7034133851436666
Energy: 1.5442518834072991
Energy: 1.7034133851436666
Energy: 1.7595298216201987
Energy: 1.69481630494038
Energy: 1.7941653901669512
Energy: 1.694816304941268
Energy: 1.6142264555293564
Energy: 1.7650869601786903
Energy: 1.9347051007033567
Energy: 1.7650869601786903
Energy: 1.8749476323131544
Energy: 1.6688038046552813
Energy: 1.5447971195284094
Energy: 1.6688038046561693
Energy: 1.6944010820967566
Energy: 1.7616971202461116
Energy: 1.6325787535033573
Energy: 1.7616971202461116
Energy: 1.6133471642360602
Energy: 1.867024406871035
Energy: 1.6629716595293633
Energy: 1.8670244068701474
Energy: 1.6587808533234765
Energy: 1.6637406402405315
Energy: 1.788542272011574
Energy: 1.6637406402405315
Energy: 1.613519758597854
Energy: 1.8469694177194094
Energy: 1.9603983207080138
Energy: 1.8469694177194094
Energy: 1.8092162847633975
Energy: 1.6739911521525423
Energy: 1.5247858362403661
Energy: 1.6739911521525423
Energy: 1.5448996151345746
Energy: 1.76157176495573
Energy: 1.915646823617126
Energy: 1.76157176495573
Energy: 1.6418490326144828
Energy: 1.6640520831107766
Energy: 1.9201041632596074
Energy: 1.6640520831116643
Energy: 1.8101361507412104
Energy: 1.708698306219848
Energy: 1.5268349358761037
Energy: 1.7086983062162964
Energy: 1.56749464671584
Energy: 1.7742854188741193
Energy: 1.9916379221616072
Energy: 1.7742854188741193
Energy: 1.756462120783968
Energy: 1.695189925592375
Energy: 1.7902569310779146
Energy: 1.6951899255914873
Energy: 1.8993168761058292
Energy: 1.8113709924553414
Energy: 1.5271836267246528
Energy: 1.8113709924553414
Energy: 1.542706408475914
Energy: 1.7591644857256155
Energy: 1.8735989096691668
Energy: 1.7591644857256155

minimum gb energy = 1.5247858362403661 eV
minimum distance =  2.21524851290304 Angstroms
sigma value = 53


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

Energy: 1.4290652424762238
Energy: 1.428732325546783
Energy: 1.9726633365161952
Energy: 1.428732325546783
Energy: 1.7944557507555696
Energy: 1.6216730360526785
Energy: 1.7908445463171958
Energy: 1.6216730360526785
Energy: 1.460605028397996
Energy: 1.4286128429998795
Energy: 1.7673138809955624
Energy: 1.4286128429998795
Energy: 1.4607120452477278
Energy: 1.4287117142747874
Energy: 1.6583406237125788
Energy: 1.4287117142747874
Energy: 1.7945205407732023
Energy: 1.6216163689231338
Energy: 1.735820546837488
Energy: 1.6216163689231338
Energy: 1.4290652424762238
Energy: 1.428732325546783
Energy: 1.972662098827891
Energy: 1.4287323255447393
Energy: 1.7944557507555696
Energy: 1.6216730360506346
Energy: 1.7908445463171958
Energy: 1.6216730360526785
Energy: 1.460605028397996
Energy: 1.4286128430019234
Energy: 1.7673138809976063
Energy: 1.4286128429998795
Energy: 1.4607120452477278
Energy: 1.4287117142727437
Energy: 1.6313286314729856
Energy: 1.4287117142747874
Energy: 1.7945205407732023
Energy: 1.6216163689251775
Energy: 1.7301242275285946
Energy: 1.6216163689231338
Energy: 1.4290652424782677
Energy: 1.428732325546783
Energy: 2.1463577126511457
Energy: 1.428732325546783
Energy: 1.7944557507555696
Energy: 1.6216730360526785
Energy: 1.7908445463171958
Energy: 1.6216730360526785
Energy: 1.460605028395952
Energy: 1.4286128430019234
Energy: 1.7673138809976063
Energy: 1.4286128429998795

minimum gb energy = 1.4286128429998795 eV
minimum distance =  2.29632181155727 Angstroms
sigma value = 9


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

Energy: 1.636798613242094
Energy: 1.7981292634219712
Energy: 2.1954492051926744
Energy: 1.7981292634204584
Energy: 1.9738047161406287
Energy: 1.7238813956689811
Energy: 1.6146094393364003
Energy: 1.7238813956689811
Energy: 1.6350464541719745
Energy: 1.5544241562582541
Energy: 1.5774615702184749
Energy: 1.5544241562620362
Energy: 1.8882888584285744
Energy: 1.8867006561255335
Energy: 1.6312764717216761
Energy: 1.8867006561262898
Energy: 1.9464060423842209
Energy: 1.6730776811940458
Energy: 1.6156580214852219
Energy: 1.6730776811955586
Energy: 1.6178385749204
Energy: 1.619707312357501
Energy: 1.912918432980696
Energy: 1.619707312357501
Energy: 2.1742614297962017
Energy: 1.6398616197043097
Energy: 1.647359071760355
Energy: 1.6398616197027969
Energy: 1.6465792436961468
Energy: 1.895759972489732
Energy: 1.8180414313317623
Energy: 1.8957599724889758
Energy: 1.638820266544012
Energy: 1.8928380808246368
Energy: 1.617582884098813
Energy: 1.8928380808246368
Energy: 1.6729247389380373
Energy: 1.7094674698136954
Energy: 1.6775177421470508
Energy: 1.709467469812939
Energy: 1.6310257949088798
Energy: 1.7600217617890224
Energy: 2.109550134341747
Energy: 1.7600217617912919
Energy: 1.8997920154278842
Energy: 1.7532077701005147
Energy: 1.6518037076998027
Energy: 1.7532077700982454
Energy: 1.6205648649583169
Energy: 1.6821499769397161
Energy: 1.9677126655591406
Energy: 1.6821499769397161
Energy: 1.886160147422872
Energy: 1.7978739124855792
Energy: 1.5811024775643616
Energy: 1.7978739124855792
Energy: 1.6200872008246274
Energy: 1.7537595417352343
Energy: 1.8592333702730492
Energy: 1.7537595417337213
Energy: 1.624905306708906
Energy: 1.8913078547588948
Energy: 1.8477192067842736
Energy: 1.8913078547596514
Energy: 1.7557615371024373
Energy: 1.860302595869017
Energy: 1.621384091099882
Energy: 1.8603025958697739
Energy: 1.6317233324805487
Energy: 1.640228606457915
Energy: 1.9460170989496648
Energy: 1.6402286064601843
Energy: 1.9981561704089217
Energy: 1.7451939563339582
Energy: 1.6216757917863014
Energy: 1.7451939563317576
Energy: 1.6154478691002794
Energy: 1.6987156019433969
Energy: 1.8644944482564267
Energy: 1.6987156019433969
Energy: 1.8258192061504404
Energy: 1.8842682077418418
Energy: 1.8383207568256297
Energy: 1.884268207738816
Energy: 1.7656214166472666
Energy: 1.5804009842688405
Energy: 1.6426230669542734
Energy: 1.5804009842695974
Energy: 1.6170959990839846
Energy: 1.7120735818558774
Energy: 1.722451760189883
Energy: 1.712073581858903
Energy: 2.076244501171656
Energy: 1.7591968642239775
Energy: 1.6265627299873522
Energy: 1.7591968642254903
Energy: 1.6170908045708106
Energy: 1.7632450945475182
Energy: 2.09023800688153
Energy: 1.7632450945482745
Energy: 1.7154956266351884
Energy: 1.5541453469595161
Energy: 1.6160945436330385
Energy: 1.5541453469587598
Energy: 1.7460605128828461
Energy: 1.8567744469102079
Energy: 1.8768546099350458
Energy: 1.8567744469124772
Energy: 1.6374688743700132
Energy: 1.8274721701292875
Energy: 1.8879943038966707
Energy: 1.8274721701292875
Energy: 1.7302756206663712
Energy: 1.5529729594134505
Energy: 1.6146081373766201
Energy: 1.5529729594119375
Energy: 1.6165991619137252
Energy: 1.787034766702783
Energy: 2.0889219529850465
Energy: 1.7870347666990005
Energy: 1.9874093956405288
Energy: 1.7204023108471291
Energy: 1.625023737319244
Energy: 1.7204023108486421
Energy: 1.6199838609889305
Energy: 1.7069754020143026
Energy: 1.6999316280686179
Energy: 1.7069754020158154
Energy: 1.6723936111748368
Energy: 1.7771491319279977
Energy: 1.6428197250591474
Energy: 1.7771491319287542
Energy: 1.8443728467875977
Energy: 1.9250505797800657
Energy: 1.8282420517377589
Energy: 1.9250505797800657
Energy: 1.6113136088764204
Energy: 1.9660201613153527
Energy: 2.0999576128108397
Energy: 1.9660201613153527

minimum gb energy = 1.5529729594119375 eV
minimum distance =  2.23936044192781 Angstroms
sigma value = 73


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

Energy: 1.6672657245308742
Energy: 1.6673110878607158
Energy: 2.051593470901121
Energy: 1.6673110878607158
Energy: 1.7137552128214348
Energy: 1.703891317583815
Energy: 1.5534072920126585
Energy: 1.703891317583815
Energy: 1.6783864174255039
Energy: 1.6656647789448635
Energy: 1.5908581515756817
Energy: 1.6656647789436632
Energy: 1.6868381982174787
Energy: 1.7995152015291704
Energy: 1.5986287146442473
Energy: 1.7995152015291704
Energy: 1.6952703997311178
Energy: 1.7215876091638864
Energy: 1.5895323090551934
Energy: 1.7215876091638864
Energy: 1.6295237088226826
Energy: 1.6003058321452217
Energy: 2.09920342964288
Energy: 1.6003058321452217
Energy: 2.173650701123832
Energy: 1.8136265026893763
Energy: 1.6534667642082272
Energy: 1.8136265026893763
Energy: 1.6588773010442792
Energy: 1.553076939643515
Energy: 1.9314315623330478
Energy: 1.553076939643515
Energy: 2.096537836641672
Energy: 1.5534973885743146
Energy: 1.5535503170404
Energy: 1.5534973885743146
Energy: 1.5539227084911569
Energy: 1.7753646270338146
Energy: 1.5526326583849919
Energy: 1.7753646270338146
Energy: 1.6122395916934456
Energy: 1.553430103602386
Energy: 1.9737803037479866
Energy: 1.553430103602386
Energy: 1.7854712696042139
Energy: 1.799194646808912
Energy: 1.6441706942360679
Energy: 1.7991946468077118
Energy: 1.6277074174341837
Energy: 1.6759701021760594
Energy: 1.910122519463608
Energy: 1.675970102174859
Energy: 2.076780213020411
Energy: 1.7815924141756971
Energy: 1.6829468501390845
Energy: 1.7815924141744968
Energy: 1.6337086504366967
Energy: 1.8137557689946122
Energy: 1.9969591384661742
Energy: 1.8137557689946122
Energy: 1.9988772551822014
Energy: 1.5532774447100246
Energy: 1.6562711216077244
Energy: 1.5532774447100246
Energy: 1.665630895430308
Energy: 1.6677965942293145
Energy: 1.5539822931949712
Energy: 1.6677965942293145
Energy: 1.666333238614757
Energy: 1.7987279215890002
Energy: 1.651997973157933
Energy: 1.7987279215890002
Energy: 1.7943221157831377
Energy: 1.5528858710228797
Energy: 1.654823908144219
Energy: 1.5528858710228797
Energy: 1.6365167395556093
Energy: 1.7501017662009617
Energy: 2.050343175104424
Energy: 1.750101766202162
Energy: 2.087347085150595
Energy: 1.6003799418489795
Energy: 1.683667258216715
Energy: 1.600379941847779
Energy: 1.5985913678623729
Energy: 1.7144127010982382
Energy: 1.8609282817375767
Energy: 1.7144127010970378

minimum gb energy = 1.5526326583849919 eV
minimum distance =  2.25083122148025 Angstroms
sigma value = 7


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

Energy: 1.5805069293464082
Energy: 1.5816045405291017
Energy: 2.158855084547789
Energy: 1.5816045405274044
Energy: 2.03248597724331
Energy: 1.7298444401473292
Energy: 1.6105046993941026
Energy: 1.7298444401439343
Energy: 1.6327181297065683
Energy: 1.8229958289673507
Energy: 1.590026242290366
Energy: 1.822995828966502
Energy: 1.588525820703097
Energy: 1.6874612822989974
Energy: 1.610495370448532
Energy: 1.6874612822973
Energy: 1.6290430606909603
Energy: 1.6852028242437154
Energy: 1.5758258065363573
Energy: 1.6852028242428667
Energy: 1.628430893687677
Energy: 1.580532980351487
Energy: 2.0481476787436597
Energy: 1.580532980351487
Energy: 1.7536762935338146
Energy: 1.8313481224078563
Energy: 1.5908780446415502
Energy: 1.831348122408705
Energy: 1.6289163887833764
Energy: 1.5810604123650365
Energy: 2.128666128062972
Energy: 1.5810604123641876
Energy: 1.7780865285594891
Energy: 1.671975272911794
Energy: 1.6368464921712946
Energy: 1.671975272911794
Energy: 1.6085208203830212
Energy: 1.6882446728446052
Energy: 1.7499688611415514
Energy: 1.6882446728479998
Energy: 1.5865131967519797
Energy: 1.8228888265276824
Energy: 1.5752282025838504
Energy: 1.8228888265276824
Energy: 1.581782177415662
Energy: 1.6845990728221742
Energy: 1.5754331307991298
Energy: 1.6845990728204767
Energy: 1.5810540323971918
Energy: 1.5838213620093038
Energy: 1.576509924084356
Energy: 1.5838213620076447
Energy: 1.590261361673849
Energy: 1.574722275035019
Energy: 1.638092931015968
Energy: 1.5747222750384136
Energy: 1.6093807448502198
Energy: 1.8831354694040485
Energy: 1.8063609795179052
Energy: 1.8831354694032
Energy: 2.205343813000764
Energy: 1.572627436785263
Energy: 1.6532517672625686
Energy: 1.5726274367844144
Energy: 1.60856983332818
Energy: 1.6855046189591414
Energy: 1.7818080659409323
Energy: 1.6855046189591414
Energy: 1.5986884094670781
Energy: 1.8635197952568296
Energy: 1.637990487518528
Energy: 1.8635197952576783
Energy: 1.6084402353319227
Energy: 1.8232494046197245
Energy: 1.6398744363829718
Energy: 1.8232494046197245
Energy: 1.6095656759397137
Energy: 1.6867850708949992
Energy: 1.5738549203671308
Energy: 1.6867850708958478
Energy: 1.5866694343477121
Energy: 1.8205894694971263
Energy: 1.637967547982532
Energy: 1.8205894694971263
Energy: 1.6281009191817668
Energy: 1.819220584949561
Energy: 1.7409967706234388
Energy: 1.8192205849504097
Energy: 2.044712283824642
Energy: 1.6745793282806067
Energy: 1.6304301071840055
Energy: 1.6745793282806067
Energy: 1.5868486297544293
Energy: 1.5811192360578084
Energy: 2.070491953863802
Energy: 1.581119236053565
Energy: 1.6099743000211397
Energy: 1.6875709005408326
Energy: 1.5947988635677421
Energy: 1.6875709005382868
Energy: 1.5863000332609085
Energy: 1.8195531930601183
Energy: 1.5750026218108202
Energy: 1.819553193060967
Energy: 1.629763449806212
Energy: 1.689157229395381
Energy: 1.5960555131219296
Energy: 1.6891572293970782
Energy: 1.6644664612479192
Energy: 1.684601524321683
Energy: 1.6106738625155164
Energy: 1.6846015243182886
Energy: 1.6419470459211443
Energy: 1.5818701234325823
Energy: 1.7840537194652926
Energy: 1.5818701234300365
Energy: 1.5851188584499036
Energy: 1.6336543522666152
Energy: 1.6087554683772727
Energy: 1.6336543522691613
Energy: 1.6419505295257515
Energy: 1.5814020573180683
Energy: 2.0166302335987596
Energy: 1.5814020573197658

minimum gb energy = 1.5726274367844144 eV
minimum distance =  2.23170629055158 Angstroms
sigma value = 29


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

Energy: 1.4820434469559336
Energy: 1.4745941710331847
Energy: 1.9442787704859548
Energy: 1.4745941710331847
Energy: 1.4244548189491146
Energy: 1.4831887050872095
Energy: 1.4798540370963904
Energy: 1.4831887050874721
Energy: 1.5990095525407406
Energy: 1.5505804485150703
Energy: 1.7328816900395758
Energy: 1.5505804485144787
Energy: 1.4800336975988546
Energy: 1.4248185570368672
Energy: 1.480117014517132
Energy: 1.4248185570374259
Energy: 1.482434123463091
Energy: 1.5228933923849488
Energy: 1.7331389155781574
Energy: 1.5228933923849488
Energy: 1.4752408993389365
Energy: 1.5515231544177237
Energy: 1.4752697829334103
Energy: 1.5515231544174282
Energy: 1.475294658876615
Energy: 1.5230335332200682
Energy: 1.4824240053107476
Energy: 1.5230335332200682
Energy: 1.4801722896778364
Energy: 1.4246845453434818
Energy: 1.47972623441461
Energy: 1.4246845453431864
Energy: 1.732850921999038
Energy: 1.550570899376431
Energy: 1.7329000846160632
Energy: 1.550570899376431

minimum gb energy = 1.4244548189491146 eV
minimum distance =  2.29297430671773 Angstroms
sigma value = 5


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

Energy: 1.4894779310292288
Energy: 1.4945151797977132
Energy: 1.869516481231461
Energy: 1.49451517979611
Energy: 1.7290746966175226
Energy: 1.5812883877935786
Energy: 1.5070684625852218
Energy: 1.581288387795182
Energy: 1.4617441886059983
Energy: 1.4881998154545848
Energy: 1.7641051272443284
Energy: 1.4881998154537832
Energy: 1.509856208871595
Energy: 1.5704058607777074
Energy: 1.4670770428797224
Energy: 1.5704058607769058
Energy: 1.4869100005735358
Energy: 1.576563459366254
Energy: 1.7119632205575763
Energy: 1.576563459366254
Energy: 1.5861290906208987
Energy: 1.4963718142542761
Energy: 1.4608171727615218
Energy: 1.4963718142542761
Energy: 1.4632214298766018
Energy: 1.5739868649289726
Energy: 1.4511623134077247
Energy: 1.5739868649289726
Energy: 1.4572175684560653
Energy: 1.4970204160340712
Energy: 1.4696253951479725
Energy: 1.4970204160340712
Energy: 1.4625064962237964
Energy: 1.574872482440917
Energy: 1.4942797401138104
Energy: 1.574872482440917
Energy: 1.462354195362612
Energy: 1.5747558336191194
Energy: 1.5099288508160706
Energy: 1.5747558336191194
Energy: 1.516559120467968
Energy: 1.571429101727563
Energy: 1.464365279635326
Energy: 1.571429101727563
Energy: 1.5118233621617148
Energy: 1.4799989566500338
Energy: 1.4944585116453657
Energy: 1.4799989566484304
Energy: 1.659428001169705
Energy: 1.496101733270621
Energy: 1.49335583653628
Energy: 1.496101733270621
Energy: 1.484695288566573
Energy: 1.4956344146486131
Energy: 1.4797822302673405
Energy: 1.4956344146510183
Energy: 1.8304139813125966
Energy: 1.5689760423632142
Energy: 1.4644509170639757
Energy: 1.5689760423640156
Energy: 1.464976221420207
Energy: 1.4882108283114508
Energy: 1.842578131287022
Energy: 1.4882108283114508
Energy: 1.7107545177060077
Energy: 1.4812314888135236
Energy: 1.4880378305970736
Energy: 1.4812314888143252
Energy: 1.4699399760547054
Energy: 1.4953164737446507
Energy: 1.9904844286225543
Energy: 1.495316473743849
Energy: 1.5467299872120395
Energy: 1.5768625173875666
Energy: 1.457594567430107
Energy: 1.5768625173875666
Energy: 1.4822901136839297
Energy: 1.5911815610904425
Energy: 1.4735446569562942
Energy: 1.5911815610888391
Energy: 1.4785571052534539
Energy: 1.568324911776065
Energy: 1.4625855827836487
Energy: 1.5683249117744618
Energy: 1.5157302427624773
Energy: 1.574758630198191
Energy: 1.4633975141183093
Energy: 1.5747586301989929
Energy: 1.5011695648602317
Energy: 1.4962760702631486
Energy: 1.5147443214833451
Energy: 1.4962760702631486
Energy: 1.4938894107423
Energy: 1.5057853790101636
Energy: 1.5083338836705704
Energy: 1.5057853790101636
Energy: 1.4935956252760043
Energy: 1.4885253809823527
Energy: 1.4689406998774133
Energy: 1.4885253809831542
Energy: 1.5218258789928614
Energy: 1.494775277021581
Energy: 1.4894298093059064
Energy: 1.4947752770207794
Energy: 1.467032211658533
Energy: 1.4537216933390886
Energy: 1.557173677073458
Energy: 1.4537216933374852
Energy: 1.8674677145642862
Energy: 1.5815942351770564
Energy: 1.4646928070755743
Energy: 1.5815942351786598
Energy: 1.476561357608424
Energy: 1.4692892394166517
Energy: 1.7693075690047098
Energy: 1.4692892394158499
Energy: 1.9988936027998745
Energy: 1.6396328708985575
Energy: 1.4698133219045282
Energy: 1.6396328708985575
Energy: 1.4590003764194275
Energy: 1.4735496852385028
Energy: 1.7413321472803542
Energy: 1.4735496852385028
Energy: 1.7127085727840037
Energy: 1.5743848111681071
Energy: 1.4772231133010303
Energy: 1.5743848111681071
Energy: 1.4679196628690074
Energy: 1.805410744635854
Energy: 1.5103869034938426
Energy: 1.8054107446374572

minimum gb energy = 1.4511623134077247 eV
minimum distance =  2.21786841312371 Angstroms
sigma value = 1


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

Energy: 1.5978566289693235
Energy: 1.5989254750880846
Energy: 1.9659010689102798
Energy: 1.598925475089193
Energy: 1.5683367397042607
Energy: 1.5504699768602657
Energy: 1.432222134678206
Energy: 1.5504699768624826
Energy: 1.4161870502797234
Energy: 1.4413991471019045
Energy: 1.6915435714604004
Energy: 1.441399147103013
Energy: 1.4557064885154474
Energy: 1.5475041587440292
Energy: 1.4317412132414054
Energy: 1.5475041587440292
Energy: 1.42727034703428
Energy: 1.4414262143272232
Energy: 1.7654445746497225
Energy: 1.4414262143272232
Energy: 1.4035019001024527
Energy: 1.4451094936736928
Energy: 1.4320098983017406
Energy: 1.4451094936736928
Energy: 1.4159342840096474
Energy: 1.5931384749364546
Energy: 1.4347519258281978
Energy: 1.5931384749364546
Energy: 1.4129289426573193
Energy: 1.444944673856059
Energy: 1.4294233737681488
Energy: 1.444944673856059
Energy: 1.4408813754324266
Energy: 1.4516631140966358
Energy: 1.458754700938044
Energy: 1.4516631140966358
Energy: 1.4411518467098545
Energy: 1.4526772886113755
Energy: 1.4843775844393332
Energy: 1.4526772886113755
Energy: 1.4134316256059483
Energy: 1.4450776474435356
Energy: 1.4589485490778642
Energy: 1.445077647444644
Energy: 1.4166861063282132
Energy: 1.5768479937008573
Energy: 1.6403649168781345
Energy: 1.5768479936997488
Energy: 1.404734315183472
Energy: 1.4446594476699783
Energy: 1.4338010300787998
Energy: 1.4446594476710866
Energy: 1.4289855107641127
Energy: 1.4485992272349029
Energy: 1.4418534814401553
Energy: 1.4485992272371198
Energy: 1.5873677128603716
Energy: 1.5436792549444
Energy: 1.4341237409656549
Energy: 1.5436792549432916
Energy: 1.4159586231408001
Energy: 1.4418827406143682
Energy: 1.8107263063635715
Energy: 1.4418827406132595
Energy: 2.025221477319492
Energy: 1.4717653947568285
Energy: 1.4289818979959297
Energy: 1.4717653947568285
Energy: 1.597856628970432
Energy: 1.5989254750869761
Energy: 1.9658886965144993
Energy: 1.598925475089193
Energy: 1.5683367397009353
Energy: 1.5504699768624826
Energy: 1.4322221346770976
Energy: 1.5504699768624826
Energy: 1.4161870502797234
Energy: 1.4413991471019045
Energy: 1.6915435714604004
Energy: 1.441399147103013
Energy: 1.4557064885165558
Energy: 1.5475041587440292
Energy: 1.4317412132414054
Energy: 1.5475041587440292
Energy: 1.42727034703428
Energy: 1.4414262143261147
Energy: 1.7654445746486145
Energy: 1.4414262143272232
Energy: 1.4035019001024527
Energy: 1.4451094936736928
Energy: 1.4320098983017406
Energy: 1.4451094936725843
Energy: 1.4159342840074305
Energy: 1.5931384749353459
Energy: 1.4347519258281978
Energy: 1.5931384749364546

minimum gb energy = 1.4035019001024527 eV
minimum distance =  2.2394708351014 Angstroms
sigma value = 17


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

Energy: 1.434008196344581
Energy: 1.4348503717333192
Energy: 1.8327640887616583
Energy: 1.434850371732634
Energy: 1.6315667937038787
Energy: 1.4231127941345432
Energy: 1.4073713189656638
Energy: 1.4231127941345432
Energy: 1.4040551926988496
Energy: 1.4195379109938775
Energy: 1.7569459729194539
Energy: 1.4195379109938775
Energy: 1.5694265033939896
Energy: 1.6964478925331397
Energy: 1.4016952572429775
Energy: 1.6964478925324546
Energy: 1.405211544039104
Energy: 1.4348382451740869
Energy: 1.8095560838107572
Energy: 1.4348382451747717
Energy: 1.4440290359168664
Energy: 1.910651431512354
Energy: 1.4169853437722424
Energy: 1.9106514315130387
Energy: 1.4343833872868625
Energy: 1.5046911038276884
Energy: 1.4192545435232375
Energy: 1.5046911038276884
Energy: 1.4300708102122126
Energy: 1.715441546541797
Energy: 1.401431710208
Energy: 1.7154415465424817
Energy: 1.4349503165690238
Energy: 1.7155765181774152
Energy: 1.481189961260402
Energy: 1.7155765181774152
Energy: 1.4200408451955104
Energy: 1.7146438771199013
Energy: 1.4165142049568944
Energy: 1.714643877120586
Energy: 1.395987140564032
Energy: 1.6919077436293266
Energy: 1.4112899590259453
Energy: 1.6919077436279564
Energy: 1.3947251960679845
Energy: 1.4997764330685497
Energy: 1.393939014985734
Energy: 1.499776433067865
Energy: 1.438148296102781
Energy: 1.7072973560342837
Energy: 1.4057081357415462
Energy: 1.7072973560349687
Energy: 1.4351209450296651
Energy: 1.5237926152104655
Energy: 1.4330276420645114
Energy: 1.5237926152104655
Energy: 1.4270016816275553
Energy: 1.6995547688022192
Energy: 1.4466070620858167
Energy: 1.6995547688029045
Energy: 1.4108791639653273
Energy: 1.4206315405159322
Energy: 1.777334998498033
Energy: 1.420631540515247
Energy: 1.4699876902212465
Energy: 1.7003737991082761
Energy: 1.4056795579007713
Energy: 1.7003737991103314
Energy: 1.3955811449679987
Energy: 1.5657052796617559
Energy: 1.7037940415054444
Energy: 1.5657052796617559
Energy: 1.6303951466301658
Energy: 1.6959876971106633
Energy: 1.4068922374015373
Energy: 1.6959876971099785
Energy: 1.4108348615792985
Energy: 1.4197365126769763
Energy: 1.57393041350543
Energy: 1.4197365126776613
Energy: 1.5067571734903826
Energy: 1.4130802060765981
Energy: 1.4316186181350508
Energy: 1.4130802060779681
Energy: 1.4321458805570135
Energy: 1.5668589961782013
Energy: 1.5095281986970335
Energy: 1.566858996176831
Energy: 1.634487712036708
Energy: 1.7078266119157606
Energy: 1.4132017949090256
Energy: 1.7078266119150753
Energy: 1.4074115598822388
Energy: 1.4133504378175865
Energy: 1.6317808681780648
Energy: 1.4133504378182717
Energy: 1.4994951430643966
Energy: 1.5652287943035337
Energy: 1.3980538378307117
Energy: 1.5652287943035337
Energy: 1.4088251180480524
Energy: 1.525689586022884
Energy: 1.4722943223486467
Energy: 1.525689586022884
Energy: 1.6218490319586558
Energy: 1.48922965272199
Energy: 1.4136420968463304
Energy: 1.489229652721305
Energy: 1.4460994575825823
Energy: 1.699189568881645
Energy: 1.4269104102241825
Energy: 1.699189568881645
Energy: 1.4331417542125924
Energy: 1.523034876351233
Energy: 1.4291202869035062
Energy: 1.5230348763505477
Energy: 1.405620629397008
Energy: 1.7053414311130684
Energy: 1.4935951245213612
Energy: 1.7053414311123831
Energy: 1.393647391163
Energy: 1.522821199356108
Energy: 1.3949532969306706
Energy: 1.522821199356108
Energy: 1.409164455129641
Energy: 1.6951207717815864
Energy: 1.40507120099467
Energy: 1.6951207717829564
Energy: 1.4137708469835881
Energy: 1.4959407550297452
Energy: 1.632215258085592
Energy: 1.4959407550297452
Energy: 1.4848732093171093
Energy: 1.720287521931659
Energy: 1.4200444462361819
Energy: 1.7202875219302889
Energy: 1.3990896264575103
Energy: 1.4357713273244632
Energy: 1.4702919015585838
Energy: 1.435771327325148
Energy: 1.4190676168189578
Energy: 1.5074847136338605
Energy: 1.4324424209606765
Energy: 1.5074847136331753
Energy: 1.4131515853639918
Energy: 1.9083917171257143
Energy: 1.4295703335846222
Energy: 1.9083917171263993
Energy: 1.8065112841175113
Energy: 1.5262874757423108
Energy: 1.4109330689903135
Energy: 1.526287475743681

minimum gb energy = 1.393647391163 eV
minimum distance =  2.23583712001939 Angstroms
sigma value = 89


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

Energy: 1.2778413468978926
Energy: 1.27799250852092
Energy: 2.0783647451346208
Energy: 1.27799250852092
Energy: 1.2783234137842612
Energy: 1.3159054059030064
Energy: 1.3008933762966342
Energy: 1.3159054059030064
Energy: 1.2971822215480853
Energy: 1.3763747174393006
Energy: 2.2069603976032557
Energy: 1.3763747174375083
Energy: 1.3217424579423676
Energy: 1.3162968672872455
Energy: 1.3004981950424204
Energy: 1.3162968672872455
Energy: 1.2967091091575682
Energy: 1.410147467762424
Energy: 2.124278100471242
Energy: 1.410147467762424
Energy: 1.2968112281984585
Energy: 1.2787719490290137
Energy: 1.27747600880888
Energy: 1.2787719490290137
Energy: 1.2974143382039844
Energy: 1.5096296417566384
Energy: 1.2779414081330096
Energy: 1.5096296417566384
Energy: 1.3187056225386449
Energy: 1.509017549303744
Energy: 1.301085212722794
Energy: 1.509017549303744
Energy: 1.2968052075487202
Energy: 1.409843323171603
Energy: 1.283626538333423
Energy: 1.409843323171603
Energy: 1.3153886776513655
Energy: 1.2789531997655377
Energy: 1.2966665361769028
Energy: 1.2789531997673302
Energy: 1.2776307906545874
Energy: 1.31678007526247
Energy: 1.2966596722976476
Energy: 1.31678007526247
Energy: 1.2777503338123735
Energy: 1.5105575722216178
Energy: 1.3006842274736454
Energy: 1.5105575722234101
Energy: 1.2966766224587511
Energy: 1.2800927223090703
Energy: 1.3155979991541462
Energy: 1.2800927223108627
Energy: 1.2968691020800824
Energy: 1.4089753997036405
Energy: 1.2968507862521208
Energy: 1.4089753997036405
Energy: 1.2835731087178146
Energy: 1.2800617497158633
Energy: 1.296676487635636
Energy: 1.2800617497158633

minimum gb energy = 1.27747600880888 eV
minimum distance =  2.25569726651644 Angstroms
sigma value = 13


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

Energy: 1.2847506341157557
Energy: 1.2515342585709341
Energy: 1.72743568667413
Energy: 1.2515342585724367
Energy: 1.491629608093331
Energy: 1.6457248070682906
Energy: 1.2444472720850936
Energy: 1.6457248070690422
Energy: 1.2528959439785194
Energy: 1.43724044252099
Energy: 1.9304882737572888
Energy: 1.4372404425397731
Energy: 1.2456487450655178
Energy: 1.4667748985938784
Energy: 1.2423652472758493
Energy: 1.4667748985983182
Energy: 1.2595381008417
Energy: 1.5286489589075827
Energy: 1.3331414812145115
Energy: 1.5286489589075827
Energy: 1.2435970234616356
Energy: 1.2845551143448126
Energy: 1.2586872026129423
Energy: 1.284555114350072
Energy: 1.2596280279493928
Energy: 1.4508813146935884
Energy: 1.6174931946436455
Energy: 1.4508813146965935
Energy: 1.2482994585454334
Energy: 1.4634258414541141
Energy: 1.2588252236234307
Energy: 1.4634258414556172
Energy: 1.2609148684916793
Energy: 1.3489885882627308
Energy: 1.4745510449162798
Energy: 1.3489885882619794
Energy: 1.4801573717479515
Energy: 1.54908822508412
Energy: 1.2424265680080637
Energy: 1.54908822508412
Energy: 1.2604103844857182
Energy: 1.3708654115802528
Energy: 1.24374480219177
Energy: 1.3708654115802528
Energy: 1.6122080660929918
Energy: 1.5487864051935942
Energy: 1.250472694412266
Energy: 1.548786405189086
Energy: 1.2938745992718643
Energy: 1.266387866364963
Energy: 1.2583917708228824
Energy: 1.2663878663634605
Energy: 1.624676356627777
Energy: 1.3707883188607786
Energy: 1.2504736070133369
Energy: 1.3707883188555194
Energy: 1.2604128480060937
Energy: 1.249211338833727
Energy: 1.2529601629068514
Energy: 1.249211338836732
Energy: 1.2412294223914386
Energy: 1.3707889768611445
Energy: 1.2394600461482626
Energy: 1.3707889768611445
Energy: 1.2568450174617876
Energy: 1.3364863276320447
Energy: 1.2389024418849288
Energy: 1.336486327632796
Energy: 1.2800743511016899
Energy: 1.3455820287090088
Energy: 1.2542134693344464
Energy: 1.3455820287090088
Energy: 1.2571868469194023
Energy: 1.2678825735958692
Energy: 1.2543742482957703
Energy: 1.2678825735951178
Energy: 1.2567939849752328
Energy: 1.2680116871084945
Energy: 1.2543525964832716
Energy: 1.2680116871144371
Energy: 1.280498864641707
Energy: 1.34547476622974
Energy: 1.2544243022019443
Energy: 1.3454747662282371
Energy: 1.2567051063422654
Energy: 1.336490020341222
Energy: 1.2389447775997025
Energy: 1.3364900203427248
Energy: 1.2410761428222763
Energy: 1.3705978135312857
Energy: 1.2393027881195653
Energy: 1.3705978135320371
Energy: 1.260375445840144
Energy: 1.2492147750541804
Energy: 1.2553174271998977
Energy: 1.2492147750519262
Energy: 1.6250461029487109
Energy: 1.5994700731568166
Energy: 1.251356317805409
Energy: 1.5994700731553138
Energy: 1.2944678198991977
Energy: 1.2664887080739715
Energy: 1.2561357130727673
Energy: 1.2664887080769769
Energy: 1.6118501470795619
Energy: 1.5489267503894355
Energy: 1.2509661420311369
Energy: 1.5489267503894355
Energy: 1.2597599111718125
Energy: 1.3710035007112682
Energy: 1.2428257552799886
Energy: 1.371003500710517
Energy: 1.4800907466333633
Energy: 1.5485756214403448
Energy: 1.2421008232270718
Energy: 1.548575621442599
Energy: 1.2599260786202013
Energy: 1.348804916725009
Energy: 1.6936295113294924
Energy: 1.348804916725009
Energy: 1.2477996943680352
Energy: 1.4638022373997073
Energy: 1.2587913059812272
Energy: 1.4638022374004587
Energy: 1.2598467382702427
Energy: 1.4508330143671575
Energy: 1.8019668039121342
Energy: 1.450833014366406
Energy: 1.243988616193551
Energy: 1.2823004076130562
Energy: 1.2587749463775382
Energy: 1.282300407610051
Energy: 1.2598823719649905
Energy: 1.5285913624255039
Energy: 1.3195900951070412
Energy: 1.5285913624240013
Energy: 1.2459727827638667
Energy: 1.4687044061639496
Energy: 1.242367493252593
Energy: 1.4687044061616956

minimum gb energy = 1.2389024418849288 eV
minimum distance =  2.23452370801818 Angstroms
sigma value = 37


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

Energy: 1.3588589869037386
Energy: 1.3585572955417666
Energy: 1.1879200203816715
Energy: 1.3585572955417666
Energy: 1.4487269870437012
Energy: 1.5930295392044564
Energy: 1.1597324437800482
Energy: 1.5930295392044564
Energy: 1.1804693562426853
Energy: 1.6296236636662478
Energy: 1.5698222513336055
Energy: 1.6296236636649553
Energy: 1.301412730566358
Energy: 1.345038058909226
Energy: 1.1604063032058263
Energy: 1.3450380589079336
Energy: 1.15923747899249
Energy: 1.1847554998006151
Energy: 1.3012193588068932
Energy: 1.1847554998006151
Energy: 1.1974725978446121
Energy: 1.7531842836300253
Energy: 1.3044834070342621
Energy: 1.7531842836313178
Energy: 1.1751879231679703
Energy: 1.9338721973903377
Energy: 1.635053027613661
Energy: 1.9338721973903377
Energy: 1.1428458590750632
Energy: 1.1858019003523395
Energy: 1.1900198886768556
Energy: 1.1858019003536322
Energy: 1.1605819730321538
Energy: 1.5924437522020802
Energy: 1.4666798227111486
Energy: 1.5924437522007875
Energy: 1.5691750142051897
Energy: 1.6304608235826281
Energy: 1.3033806948551456
Energy: 1.6304608235826281
Energy: 1.158440611555927
Energy: 1.8350406832704464
Energy: 1.3012249074027242
Energy: 1.8350406832691537
Energy: 1.544602780602055
Energy: 1.1852884911249155
Energy: 1.1603358606987366
Energy: 1.1852884911249155
Energy: 1.3007334323521034
Energy: 1.5925295880411152
Energy: 1.3651643765564399
Energy: 1.5925295880411152
Energy: 1.63714621167586
Energy: 1.9351351721978132
Energy: 1.142680689675125
Energy: 1.9351351721978132
Energy: 1.3577307874880167
Energy: 1.3928950432938365
Energy: 1.1427507696082397
Energy: 1.3928950432938365
Energy: 1.3581786291177431
Energy: 1.5931201940428912
Energy: 1.1596638511098367
Energy: 1.5931201940428912
Energy: 1.3006281534728203
Energy: 1.3301542253974517
Energy: 1.1607181575586478
Energy: 1.3301542253974517
Energy: 1.300766757072421
Energy: 1.8360458042461179
Energy: 1.1583890881096959
Energy: 1.8360458042474104
Energy: 1.1584170007041343
Energy: 1.1866656831148048
Energy: 1.1585298642962494
Energy: 1.1866656831135123
Energy: 1.158707430216881
Energy: 1.5929808508088241
Energy: 1.3007807248734784
Energy: 1.5929808508075314

minimum gb energy = 1.142680689675125 eV
minimum distance =  2.22956770686173 Angstroms
sigma value = 25


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

Energy: 1.2346444293022119
Energy: 1.7571111535713335
Energy: 1.052280919896191
Energy: 1.7571111535713335
Energy: 1.4833010804847222
Energy: 1.2984251225574786
Energy: 1.0474653667827112
Energy: 1.2984251225584882
Energy: 1.1704363428321638
Energy: 1.1708671939943134
Energy: 1.3571668907615395
Energy: 1.170867193995323
Energy: 1.2518573240335806
Energy: 1.4402817552478977
Energy: 1.0556213200610733
Energy: 1.4402817552478977
Energy: 1.0642215061510165
Energy: 1.298742432912061
Energy: 1.1372227735964375
Energy: 1.298742432912061
Energy: 1.145185962622781
Energy: 1.2942749721616431
Energy: 1.0655812364226296
Energy: 1.294274972163662
Energy: 1.0504247449471673
Energy: 1.044046764206469
Energy: 1.2526385164802085
Energy: 1.0440467642074782
Energy: 1.0368334300827635
Energy: 1.4485399689535883
Energy: 1.1727327074163028
Energy: 1.4485399689545977
Energy: 1.0503737309910628
Energy: 1.2987622337007543
Energy: 1.6287383302075946
Energy: 1.2987622337017637
Energy: 1.0237688677692893
Energy: 1.2807626115296018
Energy: 1.1053383251347844
Energy: 1.2807626115296018
Energy: 1.0503100859544432
Energy: 1.043952480533145
Energy: 1.5330610655994474
Energy: 1.0439524805341542
Energy: 1.3585097822779904
Energy: 1.5998936100157926
Energy: 1.172901290869673
Energy: 1.599893610016802
Energy: 1.0579104105450265
Energy: 1.2101034745708683
Energy: 1.406719649594006
Energy: 1.2101034745718775
Energy: 1.3475318404826404
Energy: 1.3919549304735097
Energy: 1.0659517947972021
Energy: 1.3919549304836032
Energy: 1.0647239783387286
Energy: 1.0412562583336216
Energy: 1.1440248098878265
Energy: 1.0412562583326122
Energy: 1.4426687568898573
Energy: 1.7074718564739289
Energy: 1.0491630616699672
Energy: 1.7074718564749383
Energy: 1.1756179581712112
Energy: 1.4482786396993625
Energy: 1.0253709171565324
Energy: 1.4482786396993625
Energy: 1.4279801514597867
Energy: 1.1886220086201504
Energy: 1.0477041596002052
Energy: 1.1886220086221688
Energy: 1.2337459166929683
Energy: 1.0618061629869948
Energy: 1.024092696771132
Energy: 1.0618061629869948
Energy: 1.6748682513278679
Energy: 1.7066289166553856
Energy: 1.0489735103933795
Energy: 1.7066289166553856
Energy: 1.1755847616295616
Energy: 1.705925000389537
Energy: 1.0375836175202284
Energy: 1.7059250003875184
Energy: 1.1703487870186886
Energy: 1.4406161396267565
Energy: 1.0594746325501179
Energy: 1.4406161396267565
Energy: 1.0645515573191509
Energy: 1.4252797714681278
Energy: 1.3493723187588509
Energy: 1.4252797714681278
Energy: 1.1438330070313523
Energy: 1.7698896130693484
Energy: 1.0646104306754698
Energy: 1.7698896130693484
Energy: 1.0478691109215361
Energy: 1.70688153516287
Energy: 1.442689221291672
Energy: 1.7068815351618607
Energy: 1.031056301571597
Energy: 1.3304670671674312
Energy: 1.1701772640601265
Energy: 1.3304670671684407

minimum gb energy = 1.0237688677692893 eV
minimum distance =  2.24079732380828 Angstroms
sigma value = 41


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

Energy: 1.3499110493693431
Energy: 1.3508382824541958
Energy: 0.9559309927714662
Energy: 1.3508382824525407
Energy: 1.4173719314938047
Energy: 1.145382375196316
Energy: 0.9446098758211161
Energy: 1.1453823751954886
Energy: 0.9723993836734505
Energy: 0.9421806715100969
Energy: 1.7185946307013378
Energy: 0.9421806715100969
Energy: 1.214020194548664
Energy: 1.3395676915558181
Energy: 0.9443263228739132
Energy: 1.3395676915549908
Energy: 0.9379922619433917
Energy: 1.370808421720029
Energy: 1.017564686694357
Energy: 1.3708084217192011
Energy: 1.0103814398026736
Energy: 1.1445101323360471
Energy: 0.9444686627366464
Energy: 1.1445101323368745
Energy: 0.9430748807629378
Energy: 1.1451158854033778
Energy: 1.010887764843104
Energy: 1.1451158854050332
Energy: 0.9268818732261809
Energy: 1.1644887581013763
Energy: 0.9393847293784694
Energy: 1.1644887581022039
Energy: 0.9480033064135249
Energy: 1.5232339062070444
Energy: 1.315675531693033
Energy: 1.523233906206217
Energy: 0.9292596259720707
Energy: 1.1360836549121285
Energy: 0.9737109147946842
Energy: 1.136083654911301
Energy: 0.943279365727866
Energy: 1.1477136446741123
Energy: 1.5413030681766358
Energy: 1.1477136446418386
Energy: 0.9309098856818352
Energy: 1.3512671075331506
Energy: 1.3509354943029226
Energy: 1.3512671075331506
Energy: 0.9480765940430516
Energy: 1.523831106729667
Energy: 1.6624515990956898
Energy: 1.5238311067304944
Energy: 1.203732232010574
Energy: 1.3560812277422336
Energy: 0.9735193467865816
Energy: 1.356081227743061
Energy: 0.94333702757377
Energy: 1.147851650130671
Energy: 1.3451626906428074
Energy: 1.147851650130671
Energy: 1.1953472915053789
Energy: 1.3873151684880045
Energy: 0.9394516874406985
Energy: 1.387315168488832
Energy: 0.9478665199912846
Energy: 1.5236520007678667
Energy: 1.2481002982999954
Energy: 1.5236520007670393
Energy: 1.1887802566496604
Energy: 1.3563598212183952
Energy: 0.9444928504110326
Energy: 1.3563598212183952
Energy: 0.9434988513312798
Energy: 1.162771851137294
Energy: 0.9263413961816993
Energy: 1.1627718511422593
Energy: 1.1793221879482785
Energy: 1.3560497856196965
Energy: 0.9480318828828708
Energy: 1.3560497856213516
Energy: 0.9773785342224902
Energy: 1.524317673218771
Energy: 0.9302818073793406
Energy: 1.5243176732179435
Energy: 1.5407536166433704
Energy: 1.6858613375142197
Energy: 0.9446448091836533
Energy: 1.6858613375150473
Energy: 1.3550632439509038
Energy: 1.35269742458855
Energy: 0.9308808352625212
Energy: 1.3526974245893775
Energy: 1.3502595303248044
Energy: 1.5236963421758318
Energy: 0.9482217538478322
Energy: 1.5236963421766594
Energy: 0.9773248135111106
Energy: 1.3360285057643315
Energy: 0.935403733519782
Energy: 1.336028505765159
Energy: 1.3325042302505308
Energy: 1.6785146154099537
Energy: 0.9444654446345393
Energy: 1.6785146154099537
Energy: 0.9432445937692091
Energy: 1.5275633615864421
Energy: 1.1950275640249794
Energy: 1.527563361588097
Energy: 0.9384673071915411
Energy: 1.5242267364913822
Energy: 0.948117491156299
Energy: 1.5242267364905544
Energy: 0.9483488856310867
Energy: 1.3365100774719478
Energy: 1.1889830012076883
Energy: 1.3365100774719478
Energy: 0.9259535952018727
Energy: 1.5672033392129863
Energy: 0.9494093303701697
Energy: 1.567203339212159
Energy: 0.9437443437712076
Energy: 1.3572404757652563
Energy: 1.179218049380672
Energy: 1.3572404757652563
Energy: 0.9308188106596982
Energy: 1.5251776845678175
Energy: 0.9829845802337224
Energy: 1.5251776845661622

minimum gb energy = 0.9259535952018727 eV
minimum distance =  2.23308952851939 Angstroms
sigma value = 15


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

Energy: 1.22713450388045
Energy: 1.5083396481938844
Energy: 1.6981829476719215
Energy: 1.5083396481945854
Energy: 1.5610418118268898
Energy: 1.3635953390517481
Energy: 0.8840402955260537
Energy: 1.363595339049645
Energy: 0.9136840853060104
Energy: 1.206129702654004
Energy: 1.6178450590728035
Energy: 1.2061297026490971
Energy: 1.3748868045396796
Energy: 1.3689053188655245
Energy: 0.883875778971601
Energy: 1.3689053188648235
Energy: 0.8798053845821623
Energy: 1.5154044180157171
Energy: 0.8615335891109226
Energy: 1.5154044180150164
Energy: 1.0936504139624081
Energy: 1.3649017534916492
Energy: 0.8840175294681961
Energy: 1.3649017534923504
Energy: 0.8830481782001199
Energy: 1.2163255134278266
Energy: 0.9226181637465033
Energy: 1.2163255134264244
Energy: 0.9227452861202181
Energy: 1.2186558602072188
Energy: 0.8839720355472842
Energy: 1.2186558602072188
Energy: 0.8864101597774688
Energy: 1.525357242596542
Energy: 1.0929174755493498
Energy: 1.525357242596542
Energy: 0.8535021162108665
Energy: 1.3661755671029097
Energy: 0.8808249270261196
Energy: 1.3661755671029097
Energy: 0.8832141606905252
Energy: 1.3631479474357464
Energy: 1.5277073331949715
Energy: 1.3631479474364472
Energy: 0.8564399473387511
Energy: 1.2068098576206316
Energy: 0.9146220656018956
Energy: 1.2068098576444666
Energy: 0.8862786493791396
Energy: 1.5195617742270167
Energy: 1.5327546419609686
Energy: 1.5195617742277177
Energy: 0.8569589557675866
Energy: 1.508920300070879
Energy: 1.2275607146970853
Energy: 1.5089203000701783
Energy: 0.8831520958246095
Energy: 1.3633501710736646
Energy: 1.555960082189505
Energy: 1.3633501710736646
Energy: 1.085876546837975
Energy: 1.205636785202169
Energy: 0.9145385152455489
Energy: 1.205636785201468
Energy: 0.886332933051913
Energy: 1.5193954380450811
Energy: 1.4760327670254139
Energy: 1.5193954380443804
Energy: 1.0817395755877721
Energy: 1.5142894618202454
Energy: 0.8807644873210145
Energy: 1.5142894618202454
Energy: 0.883295965012974
Energy: 1.3651377219178868
Energy: 1.2036381381615306
Energy: 1.365137721917186
Energy: 1.0774676034912676
Energy: 1.0500433515397956
Energy: 0.8839230644199465
Energy: 1.0500433515425998
Energy: 0.8865393585728762
Energy: 1.3924323894541806
Energy: 1.1226305350971013
Energy: 1.3924323894534794
Energy: 1.079923054495277
Energy: 1.3784666230620068
Energy: 0.8902759740732082
Energy: 1.3784666230620068
Energy: 0.8832880198903038
Energy: 1.0459249882302875
Energy: 0.8537904295911318
Energy: 1.0459249882288852
Energy: 1.4103657898227888
Energy: 1.0474708092083735
Energy: 0.8840757951192276
Energy: 1.0474708092076725
Energy: 0.9169207028839483
Energy: 1.3923795499910034
Energy: 0.8577456160530625
Energy: 1.3923795499917044
Energy: 1.394677775519686
Energy: 1.5226434199025114
Energy: 0.8902692254570603
Energy: 1.5226434199018104
Energy: 1.230114354006327
Energy: 1.5061269470778942
Energy: 0.8572460636482743
Energy: 1.5061269470778942
Energy: 1.551013041262811
Energy: 1.363568093332223
Energy: 0.8840688451623077
Energy: 1.3635680933315222
Energy: 0.9168751158466847
Energy: 1.5472499708095333
Energy: 0.8631403440607072
Energy: 1.5472499708095333
Energy: 1.2035896175328018
Energy: 1.523003978524062
Energy: 0.8902437515186373
Energy: 1.523003978524062
Energy: 0.883221381575803
Energy: 1.5087230297210776
Energy: 1.0815299287989553
Energy: 1.5087230297210776
Energy: 1.1928034894154553
Energy: 1.3668481583539
Energy: 0.8840791028955333
Energy: 1.366848158352498
Energy: 0.8863489240660379
Energy: 1.5393521906822663
Energy: 1.077097219346973
Energy: 1.5393521906829672
Energy: 0.8603928832712843
Energy: 1.393693665289622
Energy: 0.890163776354225
Energy: 1.3936936652903231
Energy: 0.876950554462457
Energy: 1.5081245083029056
Energy: 1.079379099888824
Energy: 1.5081245083036068
Energy: 0.8532201544719639
Energy: 1.0454571460371873
Energy: 0.8872099736657718
Energy: 1.0454571460350846
Energy: 0.88660001550968
Energy: 1.539342153628974
Energy: 1.4098943153103227
Energy: 1.539342153628273

minimum gb energy = 0.8532201544719639 eV
minimum distance =  2.26799722596421 Angstroms
sigma value = 85


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

Energy: 1.1563707526301639
Energy: 1.4114191761647863
Energy: 1.068390058548759
Energy: 1.4114191761647863
Energy: 1.664134826484344
Energy: 1.2690344363395702
Energy: 0.8112172079503426
Energy: 1.2690344363395702
Energy: 1.1092047449940947
Energy: 1.110479758846705
Energy: 1.0684380036128862
Energy: 1.110479758846705
Energy: 1.3834721362040086
Energy: 0.9798990556786822
Energy: 0.8108614056277977
Energy: 0.9798990556780743
Energy: 0.8502555052758844
Energy: 1.077794081334518
Energy: 0.7708963917000343
Energy: 1.077794081334518
Energy: 1.2300416354793016
Energy: 0.9837766656684357
Energy: 0.8108883974866047
Energy: 0.9837766656684357
Energy: 0.8069450143478372
Energy: 1.1317332757088188
Energy: 0.8909546973268893
Energy: 1.1317332757082106
Energy: 1.0723766781265316
Energy: 1.268812563574176
Energy: 0.8109404704186248
Energy: 1.268812563574176
Energy: 0.8101240121117046
Energy: 1.0922278956927929
Energy: 1.0378899348063217
Energy: 1.0922278956927929
Energy: 0.9282900519384247
Energy: 1.1317184618335636
Energy: 0.8078414173383959
Energy: 1.1317184618335636
Energy: 0.8105961421476129
Energy: 0.9836910662896349
Energy: 1.1843572915216904
Energy: 0.9836910662896349
Energy: 0.7715679143125457
Energy: 0.9805954928446973
Energy: 0.8511564797088937
Energy: 0.9805954928434812
Energy: 0.810494816813939
Energy: 1.0926095789160835
Energy: 1.3979293862225393
Energy: 1.0926095789166914
Energy: 0.7743681189588791
Energy: 1.1100634071128792
Energy: 1.1102722557298965
Energy: 1.1100634071128792
Energy: 0.8105886891358889
Energy: 1.2686892934688285
Energy: 1.5207465748621054
Energy: 1.2686892934694365
Energy: 0.773474015655917
Energy: 1.4118437073637542
Energy: 1.1572104357803006
Energy: 1.4118437073637542
Energy: 0.8102525936738639
Energy: 1.0927182795530184
Energy: 1.5214009473344525
Energy: 1.0927182795542343
Energy: 0.9776577864809882
Energy: 1.1100873858784877
Energy: 1.1102602643436923
Energy: 1.1100873858778795
Energy: 0.8106186040922565
Energy: 1.268532936131401
Energy: 1.383143776140914
Energy: 1.268532936131401
Energy: 0.9683023737138575
Energy: 1.4365153360179224
Energy: 0.850977340724795
Energy: 1.4365153360179224
Energy: 0.8102025550202134
Energy: 1.0938835246345477
Energy: 1.2297318311596304
Energy: 1.0938835246345477
Energy: 0.9664205062700028
Energy: 1.1359261463001407
Energy: 0.8078781657905664
Energy: 1.1359261463001407
Energy: 0.8104227240099273
Energy: 1.268881851235705
Energy: 1.072989503773378
Energy: 1.268881851235705
Energy: 0.9722452651274035
Energy: 1.0055446502779113
Energy: 0.8109231443765623
Energy: 1.0055446501545418
Energy: 0.8103524910561055
Energy: 0.9798821582330045
Energy: 0.9258310565524446
Energy: 0.9798821582336124
Energy: 1.2624591604272974
Energy: 1.1103211581036216
Energy: 0.8118662563499106
Energy: 1.1103211581036216
Energy: 0.8532882538860755
Energy: 0.9802600504364395
Energy: 0.7712404461674986
Energy: 0.9802600504358316
Energy: 1.2572821973610095
Energy: 1.432569977166664
Energy: 0.8102558088932962
Energy: 1.4325699771672717
Energy: 1.1125236564615875
Energy: 1.1105027451835618
Energy: 0.7745498302760132
Energy: 1.1105027451835618
Energy: 1.521226920977943
Energy: 1.2683948171435175
Energy: 0.8119152786696218
Energy: 1.2683948171435175
Energy: 1.1594093065252797
Energy: 1.4129025860981577
Energy: 0.7738923372890268
Energy: 1.4129025860987656
Energy: 1.4064252730613487
Energy: 1.4324908246105772
Energy: 0.8110868759081691
Energy: 1.4324908246105772
Energy: 1.1127778694861528
Energy: 1.1102238622912988
Energy: 0.7843010175215694
Energy: 1.1102238622912988
Energy: 1.3836321358348673
Energy: 1.2684772610990604
Energy: 0.8100646810171352
Energy: 1.2684772610990604
Energy: 0.8536267695143224
Energy: 1.4371940425406897
Energy: 0.9686616532425808
Energy: 1.4371940425406897
Energy: 1.0781720603983094
Energy: 1.4256800277141386
Energy: 0.8111442322597924
Energy: 1.4256800277135302
Energy: 0.8105267939789041
Energy: 1.1098751186864209
Energy: 0.9658507866985282
Energy: 1.109875118687637
Energy: 1.0644848331189711
Energy: 1.1100880701466427
Energy: 0.8118170776772798
Energy: 1.1100880701496827
Energy: 0.8104919102005488
Energy: 1.3992754958980367
Energy: 0.9723079095818893
Energy: 1.3992754958986446
Energy: 0.7801170430459903
Energy: 1.3194587867818723
Energy: 0.8071148503650903
Energy: 1.3194587867818723
Energy: 0.8101773527454587
Energy: 1.110392217992326
Energy: 1.262097959966835
Energy: 1.1103922179941499
Energy: 0.7709115990580202
Energy: 0.9798175612203308
Energy: 0.850249463304162
Energy: 0.9798175612197229
Energy: 0.8106454076799918
Energy: 1.399557565534954
Energy: 1.2568943397742283
Energy: 1.3995575655355623

minimum gb energy = 0.7708963917000343 eV
minimum distance =  2.25679124256478 Angstroms
sigma value = 113


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

Energy: 0.020522328626076742
Energy: 0.021436204004940784
Energy: 1.2236192221651134
Energy: 0.021436204005408188
Energy: 1.2229120111933514
Energy: 0.45538611102021065
Energy: 0.45468698597534646
Energy: 0.45538611101886034
Energy: 0.020522328625661272
Energy: 0.021436204004940784
Energy: 1.2235841776233665
Energy: 0.021436204005408188
Energy: 1.2229120111933514
Energy: 0.45538611101974324
Energy: 0.45468698582276573
Energy: 0.45538611101886034
Energy: 0.020522328626076742
Energy: 0.021436204004940784
Energy: 1.2236371874382383
Energy: 0.021436204005408188
Energy: 1.2229120111933514
Energy: 0.45538611101927584
Energy: 0.45468698631613425
Energy: 0.45538611101886034

minimum gb energy = 0.020522328625661272 eV
minimum distance =  2.48492824440544 Angstroms
sigma value = 1