Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000159978866
cohesive_energy=4.290337035123409
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013329407556806193
Energy: 0.013686968460738164
Energy: 0.013440924150958768
Energy: 0.013686968460738164
Energy: 0.013329407556806193
Energy: 0.013686968460738164
Energy: 0.013686968460738164
Energy: 2.4892328435628195
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013440924150958768
Energy: 0.013686968460738164
Energy: 0.013329407556806193
Energy: 0.013686968460738164
Energy: 0.013440924150958768
Energy: 0.013686968460738164
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013686968460738164
Energy: 2.4892328435628195
Energy: 0.013329407556806193
Energy: 0.013686968460738164
Energy: 0.013440924150958768
Energy: 0.013686968460738164
Energy: 0.013329407556806193
Energy: 0.013686968460738164
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013686968460738164
Energy: 2.4892328435623434
Energy: 0.013686968460738164
Energy: 2.4892328435623434

minimum gb energy = 0.013329407556806193 eV
minimum distance =  2.37865270774622 Angstroms
sigma value = 1


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

Energy: 1.2576187055906745
Energy: 1.2337491306850001
Energy: 1.1851151153225634
Energy: 1.2337491306837862
Energy: 1.2576187055906745
Energy: 1.2337491306837862
Energy: 1.2213048795422659
Energy: 1.2084480381030558
Energy: 1.1738426251985028
Energy: 1.2084480381030558
Energy: 1.221304879541052
Energy: 1.2084480381030558
Energy: 1.1774788106200615
Energy: 1.2085202438009932
Energy: 1.249083045225967
Energy: 1.2085202438009932
Energy: 1.1774788106200615
Energy: 1.2085202438022067
Energy: 1.3309749641325417
Energy: 1.1969597041953361
Energy: 1.1775918194612522
Energy: 1.1969597041941225
Energy: 1.3309749641337552
Energy: 1.1969597041941225
Energy: 1.2747307862676802
Energy: 1.2343426094346472
Energy: 1.2515873600878786
Energy: 1.2343426094346472
Energy: 1.2747307862676802
Energy: 1.2343426094334335
Energy: 1.2493512372131235
Energy: 1.2086110990969643
Energy: 1.184885959789078
Energy: 1.2086110990969643
Energy: 1.2493512372131235
Energy: 1.2086110990969643
Energy: 1.2487810396172567
Energy: 1.2083693035333862
Energy: 1.1776116375170063
Energy: 1.2083693035333862
Energy: 1.2487810396172567
Energy: 1.2083693035333862
Energy: 1.3005555349537044
Energy: 1.2342305720782525
Energy: 1.167835662083134
Energy: 1.2342305720782525
Energy: 1.3005555349537044
Energy: 1.2342305720782525
Energy: 1.2754776262794005
Energy: 1.1973228635483664
Energy: 1.1766062581258636
Energy: 1.1973228635483664
Energy: 1.2754776262794005
Energy: 1.1973228635483664
Energy: 1.2509741578517006
Energy: 1.208426704264097
Energy: 1.1841110503324208
Energy: 1.208426704264097
Energy: 1.2509741578517006
Energy: 1.208426704264097
Energy: 1.2191993923670998
Energy: 1.2042322377859314
Energy: 1.2210652531302493
Energy: 1.2042322377859314
Energy: 1.2191993923670998
Energy: 1.2042322377859314
Energy: 1.1703675949947316
Energy: 1.2340333201911087
Energy: 1.170362139682752
Energy: 1.2340333201911087
Energy: 1.1703675949947316
Energy: 1.2340333201911087
Energy: 1.2209485458377047
Energy: 1.2042322377847177
Energy: 1.2175418284929167
Energy: 1.2042322377847177
Energy: 1.220948545836491
Energy: 1.2042322377859314
Energy: 1.1838978782902256
Energy: 1.2084452303888291
Energy: 1.2509887211264417
Energy: 1.2084452303888291
Energy: 1.1838978782902256
Energy: 1.2084452303888291
Energy: 1.176720726466992
Energy: 1.197506368991136
Energy: 1.2753793403644715
Energy: 1.197506368991136
Energy: 1.176720726466992
Energy: 1.197506368991136
Energy: 1.1675764016763386
Energy: 1.2344368935283905
Energy: 1.3012584766841224
Energy: 1.2344368935283905
Energy: 1.1675764016763386
Energy: 1.2344368935283905
Energy: 1.177633004225058
Energy: 1.2080954127839558
Energy: 1.2487752684310751
Energy: 1.2080954127839558
Energy: 1.177633004225058
Energy: 1.2080954127839558
Energy: 1.1849730171072108
Energy: 1.2085752529440597
Energy: 1.2493307289913704
Energy: 1.2085752529440597
Energy: 1.1849730171072108
Energy: 1.2085752529440597
Energy: 1.215447428674701
Energy: 1.2343421577930722
Energy: 1.2747021069195432
Energy: 1.2343421577930722
Energy: 1.215447428674701
Energy: 1.2343421577930722
Energy: 1.1776717255320241
Energy: 1.1969648780962787
Energy: 1.3309817161743076
Energy: 1.1969648780962787
Energy: 1.1776717255320241
Energy: 1.1969648780962787
Energy: 1.2490630008002859
Energy: 1.2085327359953322
Energy: 1.1774785560973302
Energy: 1.2085327359953322
Energy: 1.2490630008002859
Energy: 1.2085327359953322
Energy: 1.1736959902375443
Energy: 1.2086473316700133
Energy: 1.2212576717340926
Energy: 1.2086473316700133
Energy: 1.1736959902363306
Energy: 1.2086473316700133
Energy: 1.2805386312227955
Energy: 1.2337491306837862
Energy: 1.2576187055906745
Energy: 1.2337491306850001
Energy: 1.2805386312227955
Energy: 1.2337491306837862

minimum gb energy = 1.1675764016763386 eV
minimum distance =  2.26309694490856 Angstroms
sigma value = 33


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

Energy: 1.7122289461497566
Energy: 1.3086559582638406
Energy: 1.2445302610908118
Energy: 1.3086559582638406
Energy: 1.7122289461497566
Energy: 1.3086559582638406
Energy: 1.2437079366798027
Energy: 1.270222602652099
Energy: 1.2581424803050025
Energy: 1.270222602652099
Energy: 1.2437079366798027
Energy: 1.270222602652099
Energy: 1.2188409548167911
Energy: 1.3047914113139338
Energy: 1.3689464274425678
Energy: 1.3047914113139338
Energy: 1.2188409548167911
Energy: 1.3047914113139338
Energy: 1.2576221354868746
Energy: 1.2613671917915754
Energy: 1.4030046536423149
Energy: 1.2613671917915754
Energy: 1.257622135487565
Energy: 1.2613671917915754
Energy: 1.2576707319346954
Energy: 1.281379545040165
Energy: 1.3491432820001374
Energy: 1.2813795450408558
Energy: 1.2576707319346954
Energy: 1.281379545040165
Energy: 1.2512837718429533
Energy: 1.2824876258925282
Energy: 1.2326269833351864
Energy: 1.2824876258925282
Energy: 1.2512837718422627
Energy: 1.2824876258925282
Energy: 1.2515734883937797
Energy: 1.282823279207488
Energy: 1.275117457541617
Energy: 1.282823279207488
Energy: 1.2515734883930894
Energy: 1.2828232792081784
Energy: 1.2327774059756273
Energy: 1.2815277132184502
Energy: 1.3104592340774723
Energy: 1.2815277132184502
Energy: 1.2327774059756273
Energy: 1.2815277132184502
Energy: 1.2569435369899677
Energy: 1.261593812124171
Energy: 1.251314876489737
Energy: 1.261593812124861
Energy: 1.256943536990658
Energy: 1.261593812124171
Energy: 1.2511800211585802
Energy: 1.3048457859651053
Energy: 1.2565351756618595
Energy: 1.3048457859651053
Energy: 1.2511800211585802
Energy: 1.3048457859657956
Energy: 1.2431860454468733
Energy: 1.2705729472386007
Energy: 1.2575385565149193
Energy: 1.2705729472386007
Energy: 1.2431860454468733
Energy: 1.270572947239291
Energy: 1.3688788709082942
Energy: 1.2815658096991158
Energy: 1.2606511126046775
Energy: 1.2815658096991158
Energy: 1.3688788709082942
Energy: 1.2815658096991158
Energy: 1.4163910470198728
Energy: 1.273309762993687
Energy: 1.2716054419369427
Energy: 1.273309762993687
Energy: 1.4163910470198728
Energy: 1.273309762993687
Energy: 1.3085163191903393
Energy: 1.3044667319353223
Energy: 1.2570315113085475
Energy: 1.3044667319353223
Energy: 1.3085163191903393
Energy: 1.3044667319353223
Energy: 1.369730164315921
Energy: 1.2815263446776697
Energy: 1.3504851930475543
Energy: 1.2815263446769796
Energy: 1.369730164315921
Energy: 1.2815263446769796
Energy: 1.369700069180049
Energy: 1.2812686196789609
Energy: 1.260826976832783
Energy: 1.2812686196789609
Energy: 1.369700069180049
Energy: 1.2812686196789609
Energy: 1.3817406777421972
Energy: 1.2827407461168563
Energy: 1.2564415113308673
Energy: 1.2827407461168563
Energy: 1.3817406777421972
Energy: 1.2827407461168563
Energy: 1.3820080702645368
Energy: 1.2695495235846979
Energy: 1.349352136940748
Energy: 1.2695495235846979
Energy: 1.3820080702645368
Energy: 1.2695495235846979
Energy: 1.2323213756184397
Energy: 1.281655583892871
Energy: 1.310479941995467
Energy: 1.281655583892871
Energy: 1.23232137561913
Energy: 1.281655583892871
Energy: 1.2563951389056176
Energy: 1.2612425125584792
Energy: 1.2539315738396273
Energy: 1.2612425125591695
Energy: 1.2563951389056176
Energy: 1.2612425125584792
Energy: 1.368917952269425
Energy: 1.3047222229887598
Energy: 1.2470624698363661
Energy: 1.3047222229887598
Energy: 1.368917952269425
Energy: 1.3047222229887598
Energy: 1.2436623717271036
Energy: 1.270286226654984
Energy: 1.4021737191759267
Energy: 1.270286226654984
Energy: 1.2436623717277937
Energy: 1.270286226654984
Energy: 1.256627036407839
Energy: 1.2815495730859727
Energy: 1.348862453969174
Energy: 1.2815495730852824
Energy: 1.256627036407839
Energy: 1.2815495730852824
Energy: 1.407092908576847
Energy: 1.2698101542821867
Energy: 1.2576535990552058
Energy: 1.269810154282877
Energy: 1.407092908576847
Energy: 1.2698101542821867
Energy: 1.2762055428114019
Energy: 1.2846027950274825
Energy: 1.3686300355887215
Energy: 1.2846027950274825
Energy: 1.2762055428114019
Energy: 1.2846027950274825
Energy: 1.2579384701887102
Energy: 1.3054372523450104
Energy: 1.275078955666897
Energy: 1.30543725234432
Energy: 1.2579384701866392
Energy: 1.30543725234432
Energy: 1.2578576526386305
Energy: 1.3054395433562511
Energy: 1.2588330788450344
Energy: 1.3054395433562511
Energy: 1.2578576526386305
Energy: 1.3054395433562511
Energy: 1.2763267537180045
Energy: 1.2846112301737356
Energy: 1.3686598946653379
Energy: 1.2846112301737356
Energy: 1.2763267537180045
Energy: 1.284611230174426
Energy: 1.4072144844759
Energy: 1.2698039946655852
Energy: 1.25808599427824
Energy: 1.2698039946655852
Energy: 1.4072144844759
Energy: 1.269803994664895
Energy: 1.2566274731275011
Energy: 1.2815546889921268
Energy: 1.3141969030045144
Energy: 1.2815546889914367
Energy: 1.2566274731275011
Energy: 1.2815546889921268
Energy: 1.2435947113251546
Energy: 1.2702862266542938
Energy: 1.4021441532348589
Energy: 1.2702862266542938
Energy: 1.2435947113251546
Energy: 1.2702862266542938
Energy: 1.3689611498942749
Energy: 1.30471815675984
Energy: 1.2470483352812614
Energy: 1.30471815675984
Energy: 1.3689611498942749
Energy: 1.30471815675984
Energy: 1.2563592869188764
Energy: 1.2615144296564502
Energy: 1.2528035730848313
Energy: 1.2615144296564502
Energy: 1.2563592869188764
Energy: 1.2615144296564502
Energy: 1.2323254147868754
Energy: 1.2816493755824603
Energy: 1.2504445496151066
Energy: 1.2816493755824603
Energy: 1.2323254147875655
Energy: 1.2816493755824603
Energy: 1.3821161539988713
Energy: 1.269534829947949
Energy: 1.4193572847068923
Energy: 1.2695348299472584
Energy: 1.3821161539988713
Energy: 1.2695348299472584
Energy: 1.3818985274139144
Energy: 1.2827491573906267
Energy: 1.2564344375407495
Energy: 1.2827491573906267
Energy: 1.381898527413224
Energy: 1.2827491573906267
Energy: 1.3694929790071837
Energy: 1.2812370073575134
Energy: 1.2439918782021637
Energy: 1.2812370073575134
Energy: 1.3694929790071837
Energy: 1.2812370073575134
Energy: 1.3698742118456193
Energy: 1.2815633350478624
Energy: 1.3508574279215828
Energy: 1.2815633350478624
Energy: 1.3698742118456193
Energy: 1.2815633350478624
Energy: 1.3085118159788938
Energy: 1.3044598357418336
Energy: 1.257032685463444
Energy: 1.3044598357418336
Energy: 1.3085118159782032
Energy: 1.3044598357418336
Energy: 1.416526852420912
Energy: 1.2730892949743713
Energy: 1.2718606132428507
Energy: 1.2730892949736812
Energy: 1.416526852420912
Energy: 1.2730892949743713
Energy: 1.3688714382069842
Energy: 1.2815581738912332
Energy: 1.2440407166469694
Energy: 1.2815581738912332
Energy: 1.3688714382069842
Energy: 1.2815581738912332

minimum gb energy = 1.2188409548167911 eV
minimum distance =  2.23329113235313 Angstroms
sigma value = 51


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

Energy: 1.4690535605219095
Energy: 1.3275361590740256
Energy: 1.2498152860875884
Energy: 1.3275361590740256
Energy: 1.4690535605219095
Energy: 1.3275361590740256
Energy: 1.2309700901974945
Energy: 1.2738002689598082
Energy: 1.5268943604361387
Energy: 1.2738002689598082
Energy: 1.2309700901974945
Energy: 1.2738002689598082
Energy: 1.2310625158699935
Energy: 1.3276346457089931
Energy: 1.3687455658061556
Energy: 1.3276346457089931
Energy: 1.2310625158699935
Energy: 1.3276346457089931
Energy: 1.2449978382381761
Energy: 1.274201225892379
Energy: 1.5279025432229059
Energy: 1.274201225892379
Energy: 1.2449978382381761
Energy: 1.274201225892379
Energy: 1.2316345827516069
Energy: 1.2779153352619614
Energy: 1.3491214399287408
Energy: 1.2779153352619614
Energy: 1.2316345827516069
Energy: 1.2779153352619614
Energy: 1.4686526339650074
Energy: 1.274071007361161
Energy: 1.5745089794984406
Energy: 1.274071007361161
Energy: 1.4686526339650074
Energy: 1.274071007361161
Energy: 1.469097116837818
Energy: 1.2762723527595545
Energy: 1.3488894226513222
Energy: 1.2762723527595545
Energy: 1.469097116837818
Energy: 1.2762723527595545
Energy: 1.249172968041185
Energy: 1.2741264007704363
Energy: 1.216796088774524
Energy: 1.2741264007704363
Energy: 1.249172968041185
Energy: 1.2741264007704363
Energy: 1.4693221040989428
Energy: 1.2930578587583217
Energy: 1.2195263025444298
Energy: 1.2930578587583217
Energy: 1.4693221040989428
Energy: 1.2930578587583217
Energy: 1.231104484024268
Energy: 1.3285861946038484
Energy: 1.2168991556003845
Energy: 1.3285861946038484
Energy: 1.231104484024268
Energy: 1.3285861946038484
Energy: 1.5440414510706157
Energy: 1.2752538115230256
Energy: 1.527132088637274
Energy: 1.2752538115246252
Energy: 1.5440414510706157
Energy: 1.2752538115230256
Energy: 1.468711130606658
Energy: 1.3281930833410807
Energy: 1.5743260556386882
Energy: 1.3281930833410807
Energy: 1.468711130606658
Energy: 1.3281930833410807
Energy: 1.3619752822733477
Energy: 1.2744344427790866
Energy: 1.5268764195355193
Energy: 1.2744344427790866
Energy: 1.3619752822733477
Energy: 1.2744344427790866
Energy: 1.2310223647029066
Energy: 1.3280631484263847
Energy: 1.5267183648800218
Energy: 1.3280631484263847
Energy: 1.2310223647029066
Energy: 1.3280631484263847
Energy: 1.2309578425250651
Energy: 1.3278290533138215
Energy: 1.5267974502003834
Energy: 1.3278290533138215
Energy: 1.2309578425250651
Energy: 1.3278290533138215
Energy: 1.2320949311728098
Energy: 1.278281866666503
Energy: 1.5266939748243338
Energy: 1.278281866666503
Energy: 1.2320949311728098
Energy: 1.278281866666503
Energy: 1.4686701406306335
Energy: 1.3280134012404357
Energy: 1.5726732539517077
Energy: 1.3280134012404357
Energy: 1.4686701406306335
Energy: 1.3280134012404357
Energy: 1.4688161472290864
Energy: 1.2839112904718453
Energy: 1.5267377418081558
Energy: 1.2839112904718453
Energy: 1.4688161472290864
Energy: 1.2839112904718453

minimum gb energy = 1.216796088774524 eV
minimum distance =  2.22642358768069 Angstroms
sigma value = 19


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

Energy: 1.5890781208219613
Energy: 1.392201388971612
Energy: 1.2837886314153741
Energy: 1.392201388971612
Energy: 1.5890781208219613
Energy: 1.392201388971612
Energy: 1.2719026841307417
Energy: 1.3672508942563832
Energy: 1.3099622640281894
Energy: 1.367250894257332
Energy: 1.2719026841307417
Energy: 1.367250894257332
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.3974716092540924
Energy: 1.381972406168794
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.3128064089338403
Energy: 1.3510744989045933
Energy: 1.3096373644474306
Energy: 1.3510744989045933
Energy: 1.3128064089338403
Energy: 1.3510744989045933
Energy: 1.2828992357655191
Energy: 1.3908797704529796
Energy: 1.5557030566190222
Energy: 1.3908797704529796
Energy: 1.2828992357655191
Energy: 1.3908797704520308
Energy: 1.4917637476832593
Energy: 1.39103238150565
Energy: 1.282899294856172
Energy: 1.39103238150565
Energy: 1.4917637476832593
Energy: 1.39103238150565
Energy: 1.3096326598879522
Energy: 1.351071457557018
Energy: 1.3397817466457642
Energy: 1.351071457557018
Energy: 1.3096326598879522
Energy: 1.351071457557018
Energy: 1.3974861356291388
Energy: 1.381970639795757
Energy: 1.254792345403717
Energy: 1.381970639795757
Energy: 1.3974861356291388
Energy: 1.381970639795757
Energy: 1.3098546480788782
Energy: 1.3672541539685072
Energy: 1.254641590203134
Energy: 1.367254153969456
Energy: 1.3098546480788782
Energy: 1.367254153969456
Energy: 1.2837886314153741
Energy: 1.392201388971612
Energy: 1.5890781208219613
Energy: 1.392201388971612
Energy: 1.2837886314153741
Energy: 1.392201388971612
Energy: 1.3099622640281894
Energy: 1.367250894257332
Energy: 1.2719026841307417
Energy: 1.367250894257332
Energy: 1.3099622640281894
Energy: 1.367250894257332
Energy: 1.3974716092540924
Energy: 1.381972406168794
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.3974716092540924
Energy: 1.381972406168794
Energy: 1.3096373644483794
Energy: 1.3510744989045933
Energy: 1.282568982442782
Energy: 1.3510744989045933
Energy: 1.3096373644483794
Energy: 1.3510744989045933
Energy: 1.620164209716821
Energy: 1.3908797704529796
Energy: 1.2828992357655191
Energy: 1.3908797704520308
Energy: 1.620164209716821
Energy: 1.3908797704529796
Energy: 1.282899294856172
Energy: 1.39103238150565
Energy: 1.4917637476823107
Energy: 1.39103238150565
Energy: 1.2828992948552231
Energy: 1.39103238150565
Energy: 1.3397817466457642
Energy: 1.351071457557018
Energy: 1.3096326598879522
Energy: 1.351071457557018
Energy: 1.3397817466457642
Energy: 1.351071457557018
Energy: 1.254792345403717
Energy: 1.381970639795757
Energy: 1.3974861356291388
Energy: 1.381970639795757
Energy: 1.254792345403717
Energy: 1.381970639795757
Energy: 1.254641590203134
Energy: 1.3672541539685072
Energy: 1.3098546480788782
Energy: 1.3672541539685072
Energy: 1.254641590203134
Energy: 1.367254153969456
Energy: 1.5890781208210125
Energy: 1.392201388971612
Energy: 1.3338274891012212
Energy: 1.392201388971612
Energy: 1.5890781208219613
Energy: 1.392201388971612
Energy: 1.2719026841307417
Energy: 1.3672508942563832
Energy: 1.3099622640281894
Energy: 1.3672508942563832
Energy: 1.2719026841307417
Energy: 1.3672508942563832
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.3974716092540924
Energy: 1.381972406168794
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.282568982442782
Energy: 1.3510744989045933
Energy: 1.3096373644474306
Energy: 1.3510744989045933
Energy: 1.282568982442782
Energy: 1.3510744989045933
Energy: 1.2828992357655191
Energy: 1.3908797704529796
Energy: 1.620164209716821
Energy: 1.3908797704520308
Energy: 1.2828992357655191
Energy: 1.3908797704529796
Energy: 1.4917637476823107
Energy: 1.39103238150565
Energy: 1.282899294856172
Energy: 1.39103238150565
Energy: 1.4917637476823107
Energy: 1.39103238150565
Energy: 1.3096326598879522
Energy: 1.351071457557018
Energy: 1.3397817466448154
Energy: 1.351071457557018
Energy: 1.3096326598879522
Energy: 1.351071457557018
Energy: 1.3974861356291388
Energy: 1.381970639795757
Energy: 1.254792345403717
Energy: 1.381970639795757
Energy: 1.3974861356291388
Energy: 1.381970639795757
Energy: 1.3098546480788782
Energy: 1.367254153969456
Energy: 1.254641590203134
Energy: 1.367254153969456
Energy: 1.3098546480788782
Energy: 1.367254153969456
Energy: 1.3498114725481802
Energy: 1.392201388971612
Energy: 1.5890781208219613
Energy: 1.392201388971612
Energy: 1.3498114725481802
Energy: 1.392201388971612
Energy: 1.3099622640291382
Energy: 1.367250894257332
Energy: 1.2719026841307417
Energy: 1.3672508942563832
Energy: 1.3099622640281894
Energy: 1.3672508942563832
Energy: 1.3974716092540924
Energy: 1.381972406168794
Energy: 1.2548070659941677
Energy: 1.381972406168794
Energy: 1.3974716092540924
Energy: 1.381972406168794

minimum gb energy = 1.254641590203134 eV
minimum distance =  2.21777376916433 Angstroms
sigma value = 27


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

Energy: 1.3654006574038509
Energy: 1.3534940916396543
Energy: 1.2217360828019221
Energy: 1.3534940916396543
Energy: 1.3654006574040884
Energy: 1.3534940916396543
Energy: 1.1641161017434891
Energy: 1.3333022125903837
Energy: 1.344641979480482
Energy: 1.3333022125903837
Energy: 1.1641161017434891
Energy: 1.3333022125899348
Energy: 1.3550187188237754
Energy: 1.4653157132773849
Energy: 1.3551601516363971
Energy: 1.4653157132773849
Energy: 1.3550187188237754
Energy: 1.4653157132773849
Energy: 1.171021207234358
Energy: 1.2979068087148375
Energy: 1.1899896975436886
Energy: 1.2979068087148375
Energy: 1.1710212072345958
Energy: 1.2979068087148375
Energy: 1.335323861570164
Energy: 1.2975292973599892
Energy: 1.1637622558587168
Energy: 1.2975292973599892
Energy: 1.3353238615704017
Energy: 1.2975292973599892
Energy: 1.357403044120632
Energy: 1.4661368650572921
Energy: 1.335549735333912
Energy: 1.4661368650572921
Energy: 1.357403044120632
Energy: 1.4661368650570543
Energy: 1.34599670260315
Energy: 1.4563721229089854
Energy: 1.3552451834964412
Energy: 1.4563721229087476
Energy: 1.345996702602912
Energy: 1.4563721229089854
Energy: 1.363715743146724
Energy: 1.3460502495677429
Energy: 1.345224004390832
Energy: 1.3460502495677429
Energy: 1.363715743146724
Energy: 1.3460502495677429
Energy: 1.3362192987395294
Energy: 1.3485677050718865
Energy: 1.346290135743319
Energy: 1.3485677050718865
Energy: 1.3362192987397672
Energy: 1.3485677050718865
Energy: 1.357540391204565
Energy: 1.4660167322751458
Energy: 1.3574694259419018
Energy: 1.4660167322753836
Energy: 1.357540391204565
Energy: 1.4660167322751458
Energy: 1.1640877733868027
Energy: 1.297446042197715
Energy: 1.1889078435246931
Energy: 1.2974460421979528
Energy: 1.1640877733868027
Energy: 1.297446042197715
Energy: 1.3455740332940183
Energy: 1.2974123589995548
Energy: 1.171442850040977
Energy: 1.297412358999317
Energy: 1.3455740332940183
Energy: 1.297412358999317

minimum gb energy = 1.1637622558587168 eV
minimum distance =  2.23383929721173 Angstroms
sigma value = 9


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

Energy: 1.5923499144648179
Energy: 1.4794744448553345
Energy: 1.293803725281721
Energy: 1.4794744448546815
Energy: 1.5923499144648179
Energy: 1.4794744448546815
Energy: 1.3362099395048364
Energy: 1.45738146447939
Energy: 1.2969972647297812
Energy: 1.45738146447939
Energy: 1.3362099395054894
Energy: 1.457381464480043
Energy: 1.2899525483350291
Energy: 1.4676387199236622
Energy: 1.2977267391060243
Energy: 1.4676387199236622
Energy: 1.2899525483356822
Energy: 1.4676387199236622
Energy: 1.259549746225883
Energy: 1.437546630414315
Energy: 1.2286478488602406
Energy: 1.437546630413662
Energy: 1.259549746225883
Energy: 1.437546630413662
Energy: 1.2577897660504964
Energy: 1.4363605161731232
Energy: 1.2471468699636583
Energy: 1.4363605161737765
Energy: 1.2577897660504964
Energy: 1.4363605161731232
Energy: 1.238222510626271
Energy: 1.422453509684481
Energy: 1.3003619217397921
Energy: 1.4224535096851343
Energy: 1.238222510626271
Energy: 1.4224535096851343
Energy: 1.3135246408814418
Energy: 1.4432696577144757
Energy: 1.2989662256170034
Energy: 1.4432696577144757
Energy: 1.3135246408820949
Energy: 1.4432696577144757
Energy: 1.4230396253295163
Energy: 1.4375955982588822
Energy: 1.311537791707838
Energy: 1.4375955982595352
Energy: 1.4230396253288633
Energy: 1.4375955982595352
Energy: 1.3370159882943864
Energy: 1.392197124069305
Energy: 1.3139483600391595
Energy: 1.392197124069305
Energy: 1.3370159882937331
Energy: 1.392197124069305
Energy: 1.4204520078995213
Energy: 1.4682202466379162
Energy: 1.2575516841296357
Energy: 1.4682202466379162
Energy: 1.4204520078995213
Energy: 1.4682202466379162
Energy: 1.3076449674846253
Energy: 1.4229809632429729
Energy: 1.2971216989164966
Energy: 1.4229809632429729
Energy: 1.3076449674839723
Energy: 1.4229809632429729
Energy: 1.3017971847614902
Energy: 1.4372920258155433
Energy: 1.2999450659506744
Energy: 1.4372920258148902
Energy: 1.3017971847614902
Energy: 1.4372920258155433
Energy: 1.2370245614506503
Energy: 1.3839542440904276
Energy: 1.2332946874336004
Energy: 1.3839542440904276
Energy: 1.2370245614506503
Energy: 1.3839542440904276
Energy: 1.3723296163834842
Energy: 1.4686334560907641
Energy: 1.2323616172064347
Energy: 1.4686334560907641
Energy: 1.3723296163834842
Energy: 1.4686334560907641
Energy: 1.3044388704791428
Energy: 1.4394585361529058
Energy: 1.2983705743995735
Energy: 1.4394585361535588
Energy: 1.3044388704797958
Energy: 1.4394585361535588
Energy: 1.320753265313673
Energy: 1.4242696378317714
Energy: 1.2992728758057528
Energy: 1.4242696378317714
Energy: 1.320753265313673
Energy: 1.4242696378324247
Energy: 1.308125384624001
Energy: 1.4695756758338316
Energy: 1.2580533250515868
Energy: 1.4695756758351375
Energy: 1.3081253846246539
Energy: 1.4695756758344845
Energy: 1.2299129152350345
Energy: 1.3794772003229883
Energy: 1.3064692142149863
Energy: 1.3794772003229883
Energy: 1.2299129152343815
Energy: 1.3794772003229883
Energy: 1.2997313138067872
Energy: 1.4714419146911666
Energy: 1.23664392647261
Energy: 1.4714419146918196
Energy: 1.29973131380744
Energy: 1.4714419146911666
Energy: 1.2369379769193958
Energy: 1.5158352090800926
Energy: 1.2368949956988113
Energy: 1.5158352090807454
Energy: 1.2369379769193958
Energy: 1.5158352090800926
Energy: 1.2366471340176428
Energy: 1.471326277022449
Energy: 1.3000556956159146
Energy: 1.471326277022449
Energy: 1.2366471340176428
Energy: 1.471326277022449
Energy: 1.3063722395552269
Energy: 1.3794799496116963
Energy: 1.2299344292873686
Energy: 1.3794799496116963
Energy: 1.3063722395545738
Energy: 1.3794799496116963
Energy: 1.2580496066399418
Energy: 1.4693207108374051
Energy: 1.3081451370586032
Energy: 1.4693207108367523
Energy: 1.2580496066399418
Energy: 1.4693207108374051
Energy: 1.2989766980742679
Energy: 1.4242538701792387
Energy: 1.3207362344048006
Energy: 1.4242538701792387
Energy: 1.2989766980742679
Energy: 1.4242538701792387
Energy: 1.2987253771050487
Energy: 1.4394738864034684
Energy: 1.3044393253988222
Energy: 1.4394738864034684
Energy: 1.2987253771050487
Energy: 1.4394738864034684
Energy: 1.2323094402229244
Energy: 1.468737571392221
Energy: 1.3722728100935166
Energy: 1.468737571392221
Energy: 1.2323094402229244
Energy: 1.468737571392221
Energy: 1.2335720739093352
Energy: 1.3838131290353424
Energy: 1.237004447686297
Energy: 1.3838131290353424
Energy: 1.2335720739093352
Energy: 1.3838131290353424
Energy: 1.2996993692337688
Energy: 1.4372530181700287
Energy: 1.3018440089488128
Energy: 1.4372530181706817
Energy: 1.2996993692337688
Energy: 1.4372530181706817
Energy: 1.2971396320861448
Energy: 1.4228485602277507
Energy: 1.2771266946402184
Energy: 1.4228485602277507
Energy: 1.2971396320861448
Energy: 1.4228485602277507
Energy: 1.2575385685480889
Energy: 1.4682172952627868
Energy: 1.4204615529314617
Energy: 1.4682172952627868
Energy: 1.257538568547436
Energy: 1.4682172952627868
Energy: 1.3110172291978455
Energy: 1.392197124068652
Energy: 1.3372750263269217
Energy: 1.392197124067999
Energy: 1.3110172291978455
Energy: 1.392197124068652
Energy: 1.3115815684138616
Energy: 1.4375962724423486
Energy: 1.4230777120513467
Energy: 1.4375962724430016
Energy: 1.3115815684132086
Energy: 1.4375962724430016
Energy: 1.2982651925891016
Energy: 1.4431724764515337
Energy: 1.5344463708693867
Energy: 1.4431724764515337
Energy: 1.2982651925884485
Energy: 1.4431724764515337
Energy: 1.3003356845267262
Energy: 1.3824916081237804
Energy: 1.2380316505542284
Energy: 1.3824916081237804
Energy: 1.3003356845260732
Energy: 1.3824916081237804
Energy: 1.2655620774761827
Energy: 1.4363291892231167
Energy: 1.2577919055225837
Energy: 1.4363291892237697
Energy: 1.2655620774768357
Energy: 1.4363291892237697
Energy: 1.2285919051829317
Energy: 1.4375915278603533
Energy: 1.2595438331477988
Energy: 1.4375915278597002
Energy: 1.2285919051829317
Energy: 1.4375915278597002
Energy: 1.2976958928120053
Energy: 1.4676103389215052
Energy: 1.290030216949626
Energy: 1.4676103389215052
Energy: 1.2976958928120053
Energy: 1.4676103389215052
Energy: 1.2971285964868495
Energy: 1.414646128772347
Energy: 1.3362162901190349
Energy: 1.414646128772347
Energy: 1.2971285964868495
Energy: 1.414646128772347
Energy: 1.3142613290573701
Energy: 1.4794744448546815
Energy: 1.5923499144648179
Energy: 1.4794744448546815
Energy: 1.314261329056717
Energy: 1.4794744448546815
Energy: 1.2969972647304342
Energy: 1.45738146447939
Energy: 1.3362099395048364
Energy: 1.45738146447939
Energy: 1.2969972647297812
Energy: 1.45738146447939
Energy: 1.2977267391060243
Energy: 1.4676387199236622
Energy: 1.2899525483350291
Energy: 1.4676387199236622
Energy: 1.2977267391060243
Energy: 1.4676387199236622
Energy: 1.2286478488602406
Energy: 1.437546630413662
Energy: 1.259549746225883
Energy: 1.437546630414315
Energy: 1.2286478488602406
Energy: 1.437546630413662
Energy: 1.2291177919526564
Energy: 1.4363605161737765
Energy: 1.2577897660511494
Energy: 1.4363605161731232
Energy: 1.2291177919526564
Energy: 1.4363605161737765

minimum gb energy = 1.2285919051829317 eV
minimum distance =  2.21201836425077 Angstroms
sigma value = 57


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

Energy: 1.324635583783576
Energy: 1.4118105060284651
Energy: 1.1872493571516005
Energy: 1.4118105060284651
Energy: 1.324635583783576
Energy: 1.4118105060284651
Energy: 1.1131826740199677
Energy: 1.3814572467411828
Energy: 1.2055255676348047
Energy: 1.3814572467426693
Energy: 1.1131826740199677
Energy: 1.3814572467426693
Energy: 1.108361424822577
Energy: 1.3617115615674167
Energy: 1.13933943239444
Energy: 1.3617115615674167
Energy: 1.1083614248240636
Energy: 1.3617115615674167
Energy: 1.1386413428240179
Energy: 1.3701865189085853
Energy: 1.1420885120326838
Energy: 1.3701865189085853
Energy: 1.1386413428225315
Energy: 1.3701865189085853
Energy: 1.1388267387144626
Energy: 1.4124101537808715
Energy: 1.2050619157825504
Energy: 1.4124101537808715
Energy: 1.138826738715949
Energy: 1.4124101537808715
Energy: 1.1394046940282576
Energy: 1.3618292075198537
Energy: 1.106320589005287
Energy: 1.3618292075198537
Energy: 1.1394046940282576
Energy: 1.3618292075198537
Energy: 1.1393922046897336
Energy: 1.3618708142802265
Energy: 1.1062496760863425
Energy: 1.3618708142802265
Energy: 1.1393922046897336
Energy: 1.36187081427874
Energy: 1.1388247206482738
Energy: 1.412384160891918
Energy: 1.1419505808923223
Energy: 1.412384160891918
Energy: 1.1388247206482738
Energy: 1.412384160891918
Energy: 1.1386204314246453
Energy: 1.370199933178723
Energy: 1.1424945625584053
Energy: 1.3701999331802093
Energy: 1.1386204314246453
Energy: 1.3701999331802093
Energy: 1.1083754146724831
Energy: 1.3617141581924435
Energy: 1.1390051077018497
Energy: 1.3617141581924435
Energy: 1.1083754146724831
Energy: 1.3617141581924435
Energy: 1.1131551005261044
Energy: 1.3814572467426693
Energy: 1.1419559851690793
Energy: 1.3814572467426693
Energy: 1.1131551005261044
Energy: 1.3814572467426693
Energy: 1.324635583783576
Energy: 1.4118105060299515
Energy: 1.240217130975515
Energy: 1.4118105060284651
Energy: 1.324635583783576
Energy: 1.4118105060284651
Energy: 1.1131826740199677
Energy: 1.3814572467411828
Energy: 1.1395089697036367
Energy: 1.3814572467426693
Energy: 1.1131826740199677
Energy: 1.3814572467426693
Energy: 1.108361424822577
Energy: 1.3617115615674167
Energy: 1.1393394323929538
Energy: 1.3617115615674167
Energy: 1.1083614248240636
Energy: 1.3617115615674167
Energy: 1.1386413428240179
Energy: 1.3701865189085853
Energy: 1.1420885120326838
Energy: 1.3701865189085853
Energy: 1.1386413428240179
Energy: 1.3701865189085853
Energy: 1.1388267387144626
Energy: 1.4124101537808715
Energy: 1.2050619157825504
Energy: 1.4124101537808715
Energy: 1.1388267387144626
Energy: 1.4124101537808715
Energy: 1.1394046940282576
Energy: 1.3618292075198537
Energy: 1.106320589005287
Energy: 1.3618292075198537
Energy: 1.1394046940282576
Energy: 1.3618292075198537
Energy: 1.1393922046897336
Energy: 1.36187081427874
Energy: 1.1062496760863425
Energy: 1.3618708142802265
Energy: 1.1393922046897336
Energy: 1.36187081427874
Energy: 1.1388247206482738
Energy: 1.412384160891918
Energy: 1.141950580890836
Energy: 1.412384160891918
Energy: 1.1388247206482738
Energy: 1.412384160891918

minimum gb energy = 1.1062496760863425 eV
minimum distance =  2.18937019552013 Angstroms
sigma value = 11


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

Energy: 1.1552122501519608
Energy: 1.3393516338401286
Energy: 1.1026256565021013
Energy: 1.3393516338401286
Energy: 1.1552122501519608
Energy: 1.3393516338401286
Energy: 1.022523129996088
Energy: 1.289757177829275
Energy: 1.0201139789064377
Energy: 1.2897571778303636
Energy: 1.022523129996088
Energy: 1.289757177829275
Energy: 1.1519259135359996
Energy: 1.2779993821142224
Energy: 1.1021160590959584
Energy: 1.2779993821142224
Energy: 1.1519259135359996
Energy: 1.2779993821142224
Energy: 1.0291050243639392
Energy: 1.269545399582739
Energy: 1.020290116554118
Energy: 1.269545399582739
Energy: 1.029105024365028
Energy: 1.269545399582739
Energy: 1.0207790261959884
Energy: 1.339082381355879
Energy: 1.0762469641900592
Energy: 1.339082381355879
Energy: 1.0207790261959884
Energy: 1.339082381355879
Energy: 1.0431884965955533
Energy: 1.3129028449554974
Energy: 1.01998725685385
Energy: 1.3129028449554974
Energy: 1.0431884965955533
Energy: 1.3129028449554974
Energy: 1.0423746297354715
Energy: 1.2781915618615478
Energy: 1.020246822559482
Energy: 1.2781915618615478
Energy: 1.0423746297343828
Energy: 1.278191561860459
Energy: 1.0455116188589804
Energy: 1.340403561668813
Energy: 1.0312125407754018
Energy: 1.340403561668813
Energy: 1.0455116188589804
Energy: 1.340403561668813
Energy: 1.0460966716936007
Energy: 1.3391829262500596
Energy: 1.107186281790371
Energy: 1.3391829262500596
Energy: 1.0460966716946896
Energy: 1.3391829262500596
Energy: 1.043315666943579
Energy: 1.2780780638629619
Energy: 1.020143859365817
Energy: 1.2780780638629619
Energy: 1.043315666943579
Energy: 1.2780780638629619
Energy: 1.042272916419236
Energy: 1.311716178890031
Energy: 1.0201200925453844
Energy: 1.311716178890031
Energy: 1.042272916419236
Energy: 1.311716178890031
Energy: 1.021962476445145
Energy: 1.3403935810998415
Energy: 1.0208245037769408
Energy: 1.3403935810998415
Energy: 1.021962476445145
Energy: 1.3403935810998415
Energy: 1.043323768132293
Energy: 1.1794065117588655
Energy: 1.0762616645346115
Energy: 1.1794065117577768
Energy: 1.043323768132293
Energy: 1.1794065117588655
Energy: 1.020762807314335
Energy: 1.2780464613724172
Energy: 1.0425675419625013
Energy: 1.2780464613724172
Energy: 1.020762807314335
Energy: 1.2780464613724172
Energy: 1.0228652545012569
Energy: 1.2908246382538797
Energy: 1.0199552259960676
Energy: 1.2908246382538797
Energy: 1.0228652545012569
Energy: 1.2908246382538797
Energy: 1.032266852142895
Energy: 1.3406926179059324
Energy: 1.046514510293394
Energy: 1.3406926179059324
Energy: 1.032266852142895
Energy: 1.3406926179059324
Energy: 1.0296175459195167
Energy: 1.288774800527995
Energy: 1.0423173244355002
Energy: 1.288774800527995
Energy: 1.0296175459184278
Energy: 1.288774800527995
Energy: 1.0214815989550825
Energy: 1.2780919679227356
Energy: 1.0676827741999848
Energy: 1.2780919679227356
Energy: 1.0214815989539936
Energy: 1.2780919679227356
Energy: 1.0297683347463438
Energy: 1.2690688553917107
Energy: 1.020009804981112
Energy: 1.2690688553917107
Energy: 1.0297683347452549
Energy: 1.2690688553917107
Energy: 1.0217669712654958
Energy: 1.3400507643076778
Energy: 1.0494716557755943
Energy: 1.3400507643087667
Energy: 1.0217669712654958
Energy: 1.3400507643076778
Energy: 1.1000423067068077
Energy: 1.3166561124302205
Energy: 1.0198822258980271
Energy: 1.3166561124302205
Energy: 1.1000423067068077
Energy: 1.3166561124302205
Energy: 1.043345874598899
Energy: 1.279603670099697
Energy: 1.027562186389032
Energy: 1.279603670099697
Energy: 1.043345874598899
Energy: 1.279603670099697
Energy: 1.0460231945332352
Energy: 1.3440974137771966
Energy: 1.0310743911439244
Energy: 1.3440974137761077
Energy: 1.0460231945321465
Energy: 1.3440974137771966
Energy: 1.0222430487250231
Energy: 1.3397873637411783
Energy: 1.0253815904910115
Energy: 1.3397873637411783
Energy: 1.022243048723934
Energy: 1.3397873637422673
Energy: 1.0464743258936802
Energy: 1.2787172688826571
Energy: 1.0199308790405641
Energy: 1.278717268883746
Energy: 1.0464743258936802
Energy: 1.2787172688826571
Energy: 1.0434776470808376
Energy: 1.3121413303269596
Energy: 1.0270009540319243
Energy: 1.3121413303280482
Energy: 1.0434776470808376
Energy: 1.3121413303269596

minimum gb energy = 1.0198822258980271 eV
minimum distance =  2.23272285166234 Angstroms
sigma value = 41


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

Energy: 1.3715406211872672
Energy: 1.2823598491511408
Energy: 0.9587008057957424
Energy: 1.282359849151999
Energy: 1.3715406211872672
Energy: 1.282359849151999
Energy: 1.210927855251946
Energy: 1.1814848309490573
Energy: 0.9278450947058029
Energy: 1.1814848309490573
Energy: 1.2109278552510876
Energy: 1.1814848309490573
Energy: 1.0142354807604657
Energy: 1.2291476517944708
Energy: 0.9585681188263621
Energy: 1.2291476517953293
Energy: 1.0142354807604657
Energy: 1.2291476517953293
Energy: 1.1747635383103185
Energy: 1.156167592705689
Energy: 0.928018880447708
Energy: 1.156167592705689
Energy: 1.1747635383111765
Energy: 1.156167592705689
Energy: 1.0210575485715085
Energy: 1.1542269619317855
Energy: 1.0027671663581563
Energy: 1.1542269619317855
Energy: 1.0210575485715085
Energy: 1.1542269619317855
Energy: 1.1866091970131998
Energy: 1.2211434466304016
Energy: 0.9277025122190367
Energy: 1.2211434466295432
Energy: 1.1866091970131998
Energy: 1.2211434466304016
Energy: 0.9290293914354788
Energy: 1.2285053342185865
Energy: 0.9284035816478532
Energy: 1.2285053342194445
Energy: 0.9290293914354788
Energy: 1.2285053342194445
Energy: 1.0208496472591229
Energy: 1.2409618320961402
Energy: 0.9313800133174004
Energy: 1.2409618320961402
Energy: 1.020849647259981
Energy: 1.2409618320961402
Energy: 0.9573734186254568
Energy: 0.928298602036106
Energy: 1.1375786683906237
Energy: 0.9282986020352479
Energy: 0.9573734186254568
Energy: 0.928298602036106
Energy: 1.195652934309435
Energy: 1.2295591654573579
Energy: 1.2239246379058715
Energy: 1.2295591654573579
Energy: 1.195652934309435
Energy: 1.2295591654573579
Energy: 1.1942631730418398
Energy: 1.2357780806518304
Energy: 1.224047567200399
Energy: 1.2357780806518304
Energy: 1.1942631730418398
Energy: 1.2357780806518304
Energy: 0.9595951810110367
Energy: 1.2622519291003653
Energy: 0.9316687427520277
Energy: 1.2622519291003653
Energy: 0.9595951810110367
Energy: 1.2622519291003653
Energy: 0.957157818370789
Energy: 1.2056686982571045
Energy: 1.0725314340721404
Energy: 1.2056686982571045
Energy: 0.957157818370789
Energy: 1.2056686982571045
Energy: 0.9314549636195871
Energy: 1.2300234232302905
Energy: 0.9280850361531412
Energy: 1.2300234232302905
Energy: 0.9314549636204064
Energy: 1.2300234232302905
Energy: 1.1836666337349622
Energy: 1.2242209044948702
Energy: 0.9280247116128283
Energy: 1.2242209044948702
Energy: 1.1836666337349622
Energy: 1.2242209044948702
Energy: 0.9285172204120055
Energy: 1.2623680123960948
Energy: 0.9285314040939611
Energy: 1.2623680123960948
Energy: 0.9285172204120055
Energy: 1.2623680123960948
Energy: 0.9304473810543238
Energy: 1.2326377503624975
Energy: 0.9605729015446872
Energy: 1.2326377503624975
Energy: 0.9304473810543238
Energy: 1.2326377503624975
Energy: 0.9329419852847913
Energy: 1.2302456903703358
Energy: 0.9575631553125361
Energy: 1.2302456903703358
Energy: 0.9329419852847913
Energy: 1.2302456903703358
Energy: 1.2110234986952035
Energy: 1.175432538165062
Energy: 0.9281613460220423
Energy: 1.175432538165062
Energy: 1.211023498696062
Energy: 1.175432538165062
Energy: 1.2239691067095875
Energy: 1.2626992555954342
Energy: 1.0799173239806243
Energy: 1.2626992555954342
Energy: 1.2239691067087295
Energy: 1.2626992555954342
Energy: 1.1955292490622658
Energy: 1.1789593405615555
Energy: 0.9754923905599922
Energy: 1.1789593405615555
Energy: 1.1955292490622658
Energy: 1.1789593405615555
Energy: 0.9325815512793963
Energy: 1.2300714777658333
Energy: 0.9950283124581252
Energy: 1.2300714777658333
Energy: 0.9325815512802547
Energy: 1.2300714777658333
Energy: 1.2012188431354125
Energy: 1.1532949924809768
Energy: 0.928307638698513
Energy: 1.1532949924809768
Energy: 1.2012188431354125
Energy: 1.1532949924809768
Energy: 0.928453903193607
Energy: 1.186947714014453
Energy: 0.9603675806239121
Energy: 1.186947714014453
Energy: 0.9284539031927489
Energy: 1.1869477140153113
Energy: 0.9583464765002803
Energy: 1.2057933676525965
Energy: 0.9277830385338716
Energy: 1.2057933676525965
Energy: 0.9583464765002803
Energy: 1.2057933676525965
Energy: 0.9310948480165003
Energy: 1.1873559057539522
Energy: 0.9290826704283065
Energy: 1.1743024239737283
Energy: 0.9310948480165003
Energy: 1.187355905753094
Energy: 1.0218964970575564
Energy: 1.2367625910683389
Energy: 0.9314596518555968
Energy: 1.2367625910683389
Energy: 1.0218964970575564
Energy: 1.2367625910683389
Energy: 0.9595949025122555
Energy: 1.187758604735241
Energy: 1.169796866043532
Energy: 1.187758604735241
Energy: 0.9595949025122555
Energy: 1.187758604735241
Energy: 1.0805615749474031
Energy: 1.228617380233334
Energy: 1.2243984755234913
Energy: 1.228617380233334
Energy: 1.0805615749474031
Energy: 1.228617380233334
Energy: 0.9314412859321852
Energy: 1.0098055814567597
Energy: 1.224188450292699
Energy: 0.957308585907598
Energy: 0.9314412859321852
Energy: 1.0098055814567597
Energy: 0.9571888453741639
Energy: 1.2287225357237195
Energy: 0.9314776705102393
Energy: 1.2287225357237195
Energy: 0.9571888453741639
Energy: 1.2287225357237195
Energy: 0.959788888278718
Energy: 1.2191782149886758
Energy: 1.1693311705391685
Energy: 1.2191782149878174
Energy: 0.959788888278718
Energy: 1.2191782149878174
Energy: 0.9282947237688769
Energy: 1.2286119281318066
Energy: 0.9279094119775426
Energy: 1.2286119281318066
Energy: 0.9282947237688769
Energy: 1.2286119281318066

minimum gb energy = 0.9277025122190367 eV
minimum distance =  2.21590999334432 Angstroms
sigma value = 33


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

Energy: 1.1481134900306733
Energy: 1.0834039287049793
Energy: 0.9129595609889117
Energy: 1.0834039287049793
Energy: 1.1481134900306733
Energy: 1.0834039287049793
Energy: 1.5770071724294736
Energy: 0.8637367892623892
Energy: 0.820927916627237
Energy: 0.8637367892617868
Energy: 1.5770071724294736
Energy: 0.8637367892611845
Energy: 1.126382760215026
Energy: 1.0940728512526074
Energy: 0.9130248801982144
Energy: 1.0940728512532094
Energy: 1.1263827602144239
Energy: 1.0940728512526074
Energy: 1.435355595672048
Energy: 0.8357554892877465
Energy: 0.8206604830368133
Energy: 0.8357554892877465
Energy: 1.4353555956714457
Energy: 0.8357554892871444
Energy: 0.8822223315945794
Energy: 1.0863335739006912
Energy: 0.8471188882932152
Energy: 1.0863335739006912
Energy: 0.8822223315945794
Energy: 1.0863335739006912
Energy: 1.2867232146959475
Energy: 1.055315214329643
Energy: 0.8206669829320931
Energy: 1.0553152143290405
Energy: 1.286723214695345
Energy: 1.0553152143290405
Energy: 0.874054401479412
Energy: 1.0589113614689014
Energy: 0.825168269079592
Energy: 1.0589113614689014
Energy: 0.8740544014800143
Energy: 1.0589113614689014
Energy: 1.1617944717708972
Energy: 0.824229561151775
Energy: 0.81820781096834
Energy: 0.8242295611523773
Energy: 1.1617944717708972
Energy: 0.8242295611523773
Energy: 0.8198738117198291
Energy: 1.0860667240739312
Energy: 0.9706595373830732
Energy: 1.0860667240739312
Energy: 0.8198738117198291
Energy: 1.0860667240739312
Energy: 1.0069388185122767
Energy: 1.0788450443725135
Energy: 1.027754580001906
Energy: 1.078845044373116
Energy: 1.0069388185122767
Energy: 1.078845044373116
Energy: 0.8212477046192554
Energy: 1.0602759937103023
Energy: 1.0279605103544298
Energy: 1.0602759937103023
Energy: 0.8212477046192554
Energy: 1.0602759937103023
Energy: 1.2980508293844866
Energy: 1.096665187857583
Energy: 1.0406543887744373
Energy: 1.096665187857583
Energy: 1.2980508293844866
Energy: 1.096665187857583
Energy: 1.0321022380361886
Energy: 1.0777465638092665
Energy: 1.2265665349441612
Energy: 1.0777465638098687
Energy: 1.0321022380361886
Energy: 1.0777465638092665
Energy: 1.0166481047060805
Energy: 1.0966388445644029
Energy: 1.295819145897606
Energy: 1.0966388445650055
Energy: 1.0166481047060805
Energy: 1.0966388445644029
Energy: 1.0128779736936813
Energy: 1.0601502723256708
Energy: 1.2956795081777637
Energy: 1.0601502723256708
Energy: 1.0128779736942835
Energy: 1.0601502723256708
Energy: 1.0346314957794593
Energy: 1.0971435425599243
Energy: 1.0405166567597723
Energy: 1.0971435425599243
Energy: 1.0346314957794593
Energy: 1.0971435425599243
Energy: 1.0321000511689276
Energy: 1.077504074146918
Energy: 1.226585945854493
Energy: 1.0775040741475204
Energy: 1.0321000511689276
Energy: 1.077504074146918
Energy: 0.8246722806221181
Energy: 1.096653811388545
Energy: 1.0277223537280415
Energy: 1.0966538113879427
Energy: 0.8246722806221181
Energy: 1.096653811388545
Energy: 1.0120809639130626
Energy: 1.0737076236650644
Energy: 1.0276950673977512
Energy: 1.0737076236644625
Energy: 1.0120809639124604
Energy: 1.0737076236644625
Energy: 0.8240440572129243
Energy: 1.0935794494072806
Energy: 0.8182461495542782
Energy: 1.0935794494072806
Energy: 0.8240440572135267
Energy: 1.0935794494072806
Energy: 1.0321107730301717
Energy: 1.0677600945771175
Energy: 0.9727627168876973
Energy: 1.0677600945777197
Energy: 1.0321107730307741
Energy: 1.0677600945777197
Energy: 0.8184803279521581
Energy: 1.0966900732748097
Energy: 0.8209786962887637
Energy: 1.096690073275412
Energy: 0.8184803279515557
Energy: 1.0966900732748097
Energy: 1.2930175911437656
Energy: 1.075890531273998
Energy: 0.8255044424331904
Energy: 1.075890531273998
Energy: 1.2930175911437656
Energy: 1.075890531273998
Energy: 0.8278524057291916
Energy: 1.093406491854063
Energy: 0.82105527174676
Energy: 1.0934064918534607
Energy: 0.8278524057297939
Energy: 1.0934064918546653
Energy: 1.288251212654819
Energy: 1.0681517040077373
Energy: 0.9833358430562579
Energy: 1.0681517040083397
Energy: 1.2882512126542167
Energy: 1.0681517040077373
Energy: 1.0403630581036962
Energy: 1.0967235541950233
Energy: 0.8355550462461224
Energy: 1.0967235541950233
Energy: 1.0403630581036962
Energy: 1.0967235541950233
Energy: 1.5747028313251639
Energy: 0.8371844471131892
Energy: 0.8251432286199281
Energy: 0.8371844471137915
Energy: 1.5747028313269706
Energy: 0.8371844471143939
Energy: 1.0647881986020036
Energy: 1.0933362445798955
Energy: 1.0124209210051456
Energy: 1.0933362445798955
Energy: 1.0647881986001968
Energy: 1.0933362445798955
Energy: 1.289571476135283
Energy: 1.0622969887123817
Energy: 1.034424170715523
Energy: 1.0622969887123817
Energy: 1.2895714761358852
Energy: 1.0622969887123817
Energy: 1.0404236802000921
Energy: 1.0964839629623473
Energy: 1.0346864479834823
Energy: 1.0964839629623473
Energy: 1.0404236801994897
Energy: 1.0964839629623473
Energy: 1.2923179391586574
Energy: 0.8363129912670507
Energy: 0.8247726047920716
Energy: 0.8363129912664484
Energy: 1.2923179391580548
Energy: 0.8363129912670507
Energy: 0.8278571965988942
Energy: 1.07842113407508
Energy: 0.923849052587882
Energy: 1.0784211340756822
Energy: 0.8278571965994964
Energy: 1.07842113407508
Energy: 1.1606511214287751
Energy: 1.054956499697297
Energy: 0.8241562147459073
Energy: 1.054956499697297
Energy: 1.1606511214287751
Energy: 1.054956499697297
Energy: 0.8183630088014601
Energy: 1.0604510890573582
Energy: 1.010248074967298
Energy: 1.0604510890573582
Energy: 0.8183630088014601
Energy: 1.0604510890573582
Energy: 1.0095727654787015
Energy: 1.0604404329548673
Energy: 0.8183088056981462
Energy: 1.0604404329542652
Energy: 1.0095727654793039
Energy: 1.0604404329548673
Energy: 0.8239864959172505
Energy: 1.0549451589257113
Energy: 1.1606482913062388
Energy: 1.0549451589257113
Energy: 0.8239864959172505
Energy: 1.0549451589263137
Energy: 0.9239167023549117
Energy: 1.0784235166658733
Energy: 0.8278056502859882
Energy: 1.0784235166658733
Energy: 0.9239167023549117
Energy: 1.0784235166658733
Energy: 0.8247550372260621
Energy: 0.8366668818138236
Energy: 1.2925464806828633
Energy: 0.836666881814426
Energy: 0.8247550372260621
Energy: 0.836666881814426
Energy: 1.0346864479834823
Energy: 1.096475145450505
Energy: 1.0403211060536932
Energy: 1.0964751454511072
Energy: 1.0346864479840847
Energy: 1.096475145450505
Energy: 0.9245189161028516
Energy: 1.0622678014155302
Energy: 1.289433026062191
Energy: 1.0622678014155302
Energy: 0.924518916103454
Energy: 1.0622678014161326
Energy: 1.0123762365742137
Energy: 1.093743700186402
Energy: 1.0648869547807613
Energy: 1.093743700186402
Energy: 1.0123762365730091
Energy: 1.093743700186402
Energy: 0.825152728231402
Energy: 0.8367232603481604
Energy: 1.5744630802097004
Energy: 0.8367232603475582
Energy: 0.8251527282320043
Energy: 0.8367232603475582
Energy: 0.8361201387958614
Energy: 1.0967076171412216
Energy: 1.0403413187860642
Energy: 1.0967076171418235
Energy: 0.8361201387958614
Energy: 1.0967076171412216
Energy: 0.9246211545370376
Energy: 1.068106071170855
Energy: 1.2882059031234427
Energy: 1.068106071170855
Energy: 0.9246211545370376
Energy: 1.068106071170855
Energy: 0.8210947272172863
Energy: 1.093361194153212
Energy: 0.8280096015246148
Energy: 1.093361194153212
Energy: 0.8210947272172863
Energy: 1.093361194153212
Energy: 0.8255420809801246
Energy: 1.0758905312746003
Energy: 1.2930677214574318
Energy: 1.0758905312746003
Energy: 0.8255420809807269
Energy: 1.0758905312746003
Energy: 0.8204114230082616
Energy: 1.096687913869819
Energy: 0.8184567857654218
Energy: 1.096687913869819
Energy: 0.8204114230082616
Energy: 1.096687913869819

minimum gb energy = 0.81820781096834 eV
minimum distance =  2.25339660905975 Angstroms
sigma value = 67


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

Energy: 0.24984191685747675
Energy: 0.2504203147969778
Energy: 0.25019218702074636
Energy: 0.25042031479661186
Energy: 0.24984191685747675
Energy: 0.25042031479661186
Energy: 0.2532765966589891
Energy: 0.7542843674904262
Energy: 0.5900781420765067
Energy: 0.7542843674900144
Energy: 0.2532765966589891
Energy: 0.7542843674904262
Energy: 0.24984191685747675
Energy: 0.2504203147969778
Energy: 0.25019218702074636
Energy: 0.2504203147969778
Energy: 0.24984191685747675
Energy: 0.2504203147969778
Energy: 0.2532765966589891
Energy: 0.7542843674900144
Energy: 0.5900781420765067
Energy: 0.7542843674900144
Energy: 0.2532765966589891
Energy: 0.7542843674900144
Energy: 0.24984191685747675
Energy: 0.25042031479661186
Energy: 1.3607795836343635
Energy: 0.25042031479661186
Energy: 0.24984191685747675
Energy: 0.2504203147969778
Energy: 0.2532765966589891
Energy: 0.7542843674900144
Energy: 0.5900781420765067
Energy: 0.7542843674904262
Energy: 0.2532765966589891
Energy: 0.7542843674900144
Energy: 0.24984191685747675
Energy: 0.2504203147969778
Energy: 1.4345075387629778
Energy: 0.2504203147969778
Energy: 0.24984191685747675
Energy: 0.2504203147969778

minimum gb energy = 0.24984191685747675 eV
minimum distance =  2.42454522986422 Angstroms
sigma value = 3


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

Energy: 1.3342166307217362
Energy: 1.0845218589729801
Energy: 0.9386702724771371
Energy: 1.0845218589729801
Energy: 1.3342166307206407
Energy: 1.084521858973528
Energy: 1.5190988081879466
Energy: 0.8236955504822553
Energy: 0.8090105045938965
Energy: 0.8236955504822553
Energy: 1.5190988081879466
Energy: 0.8236955504817075
Energy: 1.2033878636707944
Energy: 1.0664019272247878
Energy: 0.9386548620799952
Energy: 1.0664019272247878
Energy: 1.2033878636707944
Energy: 1.0664019272247878
Energy: 1.2487823230864508
Energy: 0.9512547124296028
Energy: 0.8085845367414883
Energy: 0.9512547124301507
Energy: 1.2487823230859032
Energy: 0.9512547124296028
Energy: 1.0525785132091403
Energy: 1.0440861507948502
Energy: 0.8115991537873394
Energy: 1.0440861507948502
Energy: 1.0525785132096883
Energy: 1.0440861507948502
Energy: 1.249780294337948
Energy: 0.9813833055843862
Energy: 0.8086568984208647
Energy: 0.9813833055843862
Energy: 1.2497802943374001
Energy: 0.9813833055849341
Energy: 0.9400824212914055
Energy: 1.0375319098625506
Energy: 0.9050564269440786
Energy: 1.0375319098625506
Energy: 0.9400824212914055
Energy: 1.0375319098625506
Energy: 1.1240009953942915
Energy: 1.020467973591551
Energy: 0.8174342246295941
Energy: 1.020467973592099
Energy: 1.1240009953937438
Energy: 1.020467973591551
Energy: 0.8272622964907504
Energy: 0.8048572973546095
Energy: 1.0065426000420115
Energy: 0.8048572973546095
Energy: 0.8272622964907504
Energy: 0.8048572973546095
Energy: 1.0020297496310375
Energy: 1.028013397528441
Energy: 0.9993100902574297
Energy: 1.0280133975289885
Energy: 1.00202974963049
Energy: 1.0280133975289885
Energy: 0.8153001438166856
Energy: 1.0333283519311194
Energy: 1.1363729300632888
Energy: 1.0333283519305718
Energy: 0.8153001438166856
Energy: 1.0333283519311194
Energy: 1.0168608167035509
Energy: 1.0490092569698573
Energy: 1.0191093376571851
Energy: 1.0490092569698573
Energy: 1.0168608167035509
Energy: 1.0445614051441576
Energy: 0.8043659749106913
Energy: 0.8063398017385798
Energy: 1.2638362011850628
Energy: 0.8063398017380319
Energy: 0.8043659749106913
Energy: 0.8063398017380319
Energy: 1.0169012561729556
Energy: 1.0608761071523665
Energy: 1.262907655486049
Energy: 1.0608761071529142
Energy: 1.0169012561735036
Energy: 1.0608761071523665
Energy: 0.900989939381738
Energy: 1.0075882098291922
Energy: 1.4010283745033936
Energy: 1.0075882098291922
Energy: 0.9009899393811903
Energy: 1.0075882098291922
Energy: 0.8132906530878308
Energy: 1.0690254229783955
Energy: 1.2865534254854814
Energy: 1.065588045119578
Energy: 0.8132906530878308
Energy: 1.0690254229783955
Energy: 0.8046768453462976
Energy: 1.0120466624808693
Energy: 1.26434014863539
Energy: 1.0120466624808693
Energy: 0.8046768453468454
Energy: 1.0120466624808693
Energy: 0.8154639148042759
Energy: 1.0609703735532925
Energy: 1.2628231693415268
Energy: 1.0609703735527447
Energy: 0.8154639148048236
Energy: 1.0609703735532925
Energy: 0.9012385252898297
Energy: 1.050105593334052
Energy: 1.2484646267485062
Energy: 1.050105593334052
Energy: 0.9012385252898297
Energy: 1.050105593334052
Energy: 0.8054666298627737
Energy: 1.065650629407795
Energy: 1.0186000375874504
Energy: 1.065650629407795
Energy: 0.8054666298633214
Energy: 1.065650629407795
Energy: 0.8045626184022423
Energy: 1.0494120091428554
Energy: 1.1203884682648597
Energy: 1.0494120091428554
Energy: 0.8045626184022423
Energy: 1.0494120091434034
Energy: 0.8147960989020269
Energy: 1.061151905813713
Energy: 1.0029838484268108
Energy: 1.061151905813713
Energy: 0.8147960989020269
Energy: 1.061151905813713
Energy: 0.996327612039563
Energy: 1.0332824905279572
Energy: 0.9916005781808892
Energy: 1.0332824905279572
Energy: 0.996327612039563
Energy: 1.0332824905285052
Energy: 1.0066022034345663
Energy: 1.065590543571973
Energy: 0.8176799835520283
Energy: 1.0655905435725208
Energy: 1.0066022034345663
Energy: 1.065590543571973
Energy: 1.0034863267103855
Energy: 1.0590567286890709
Energy: 0.9013867412931623
Energy: 1.059056728688523
Energy: 1.0034863267109333
Energy: 1.059056728688523
Energy: 1.024674003523916
Energy: 1.0609404716456103
Energy: 0.8085399388446336
Energy: 1.0609404716450623
Energy: 1.024674003523916
Energy: 1.0609404716456103
Energy: 1.2545076280381466
Energy: 1.0544672838494034
Energy: 0.8087928999188492
Energy: 1.0544672838488554
Energy: 1.2545076280375989
Energy: 1.0544672838488554
Energy: 1.2634133057627663
Energy: 1.0657159465909736
Energy: 0.808799192012072
Energy: 1.0657159465909736
Energy: 1.2634133057633141
Energy: 1.0688214109592997
Energy: 1.2713266503444542
Energy: 1.055567517616051
Energy: 0.8998503214721029
Energy: 1.055567517616051
Energy: 1.2713266503455496
Energy: 1.055567517616051
Energy: 1.2870363158951712
Energy: 1.0609743857808587
Energy: 0.8114309573486987
Energy: 1.0609743857808587
Energy: 1.2870363158951712
Energy: 1.0609743857808587
Energy: 1.5296984908410887
Energy: 1.0628255145635497
Energy: 0.8091035665208113
Energy: 1.0628255145630021
Energy: 1.529698490840541
Energy: 1.0628255145640975
Energy: 1.2634445538913797
Energy: 1.0603151148789816
Energy: 1.0104931195674005
Energy: 1.0603151148789816
Energy: 1.2634445538919277
Energy: 1.0603151148789816
Energy: 1.2715094860647547
Energy: 1.0364985800037292
Energy: 0.8063366657252048
Energy: 1.0364985800042767
Energy: 1.2715094860647547
Energy: 1.0364985800037292
Energy: 1.0243297968318268
Energy: 1.0527451413424282
Energy: 0.8108178871425668
Energy: 1.0527451413424282
Energy: 1.0243297968318268
Energy: 1.0527451413424282
Energy: 1.2546981210482422
Energy: 1.063364053810732
Energy: 0.8101650643257843
Energy: 1.0633640538112803
Energy: 1.2546981210482422
Energy: 1.0633640538112803
Energy: 1.0065899443391255
Energy: 1.0279426329946528
Energy: 0.9960369654397481
Energy: 1.027942632994105
Energy: 1.0065899443396735
Energy: 1.0279426329946528
Energy: 1.0041924665782533
Energy: 1.0360853170856903
Energy: 0.8259039897881676
Energy: 1.0360853170856903
Energy: 1.0041924665782533
Energy: 1.0360853170856903
Energy: 0.8142679233125457
Energy: 1.0318442839900643
Energy: 0.9921682992678594
Energy: 1.0318442839895168
Energy: 0.8142679233125457
Energy: 1.0318442839900643
Energy: 0.9967188836117143
Energy: 1.0636092651628393
Energy: 1.039422758345641
Energy: 1.0636092651628393
Energy: 0.9967188836117143
Energy: 1.0636092651628393
Energy: 0.8047950240001894
Energy: 0.979123030077768
Energy: 1.2446694753464287
Energy: 0.979123030077768
Energy: 0.8047950240001894
Energy: 0.979123030077768
Energy: 0.8048006985018487
Energy: 1.0361182016506494
Energy: 1.0190273924211444
Energy: 1.0361182016506494
Energy: 0.8048006985018487
Energy: 1.0361182016506494
Energy: 0.8155613600541262
Energy: 0.9948662815933016
Energy: 1.2480442397309939
Energy: 0.9948662815933016
Energy: 0.8155613600541262
Energy: 0.9948662815927538
Energy: 0.8069110376998905
Energy: 1.0636765932398653
Energy: 1.2619536375114184
Energy: 1.0636765932398653
Energy: 0.8069110376993427
Energy: 1.0636765932398653
Energy: 0.8051614272636727
Energy: 0.8208839830837803
Energy: 1.3878099757834017
Energy: 0.8208839830832324
Energy: 0.8051614272636727
Energy: 0.8208839830837803
Energy: 0.8144036722308762
Energy: 1.0826034465230367
Energy: 1.286589792657028
Energy: 1.0826034465230367
Energy: 0.8144036722308762
Energy: 1.0826034465235845
Energy: 0.8155938737781354
Energy: 0.8295153586531212
Energy: 1.400970520178135
Energy: 0.8295153586531212
Energy: 0.8155938737781354
Energy: 0.8295153586531212
Energy: 0.8260824677827039
Energy: 1.0631328170439638
Energy: 1.2618887055836554
Energy: 1.0631328170445113
Energy: 0.8260824677827039
Energy: 1.0631328170434162
Energy: 0.8048019837390874
Energy: 0.8149860447051736
Energy: 1.3879712692983208
Energy: 0.8149860447057214
Energy: 0.8048019837390874
Energy: 0.8149860447051736
Energy: 0.8145989508742936
Energy: 1.0361640097649027
Energy: 1.0561172372742658
Energy: 1.0361640097649027
Energy: 0.8145989508742936
Energy: 1.0361640097643547
Energy: 0.8190179797396543
Energy: 0.8113611561194026
Energy: 1.1329309398919827
Energy: 0.8113611561183072
Energy: 0.8190179797396543
Energy: 0.811361156118855
Energy: 1.003702024756622
Energy: 1.0292616380359152
Energy: 1.0392666150023717
Energy: 1.029261638036463
Energy: 1.003702024756074
Energy: 1.029261638036463

minimum gb energy = 0.8043659749106913 eV
minimum distance =  2.25584740362139 Angstroms
sigma value = 81


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

Energy: 1.403876259998505
Energy: 1.2412946550751542
Energy: 1.0406190457343492
Energy: 1.2412946550751542
Energy: 1.403876259998505
Energy: 1.2412946550751542
Energy: 1.2755653196759063
Energy: 0.9159363827913682
Energy: 0.8957454758618453
Energy: 0.9159363827913682
Energy: 1.275565319721733
Energy: 0.9159363827913682
Energy: 1.337761495835411
Energy: 1.2114614504983396
Energy: 1.108472151845775
Energy: 1.2114614504983396
Energy: 1.337761495835411
Energy: 1.2114614504983396
Energy: 1.2589399628602944
Energy: 0.8973496367145486
Energy: 0.9036159299741302
Energy: 0.8973496367145486
Energy: 1.258939962861046
Energy: 0.8973496367137967
Energy: 1.0197931339861726
Energy: 0.9016911636522849
Energy: 0.9726488255521628
Energy: 0.9016911636530367
Energy: 1.0197931339861726
Energy: 0.9016911636522849
Energy: 1.1261584135058778
Energy: 1.1516876662778768
Energy: 0.9791032793266765
Energy: 1.1516876662778768
Energy: 1.1261584135058778
Energy: 1.1516876662778768
Energy: 0.9872312455930916
Energy: 0.8960248822685141
Energy: 1.1337250225521054
Energy: 0.8960248822685141
Energy: 0.9872312455930916
Energy: 0.8960248822685141
Energy: 0.9737480632492105
Energy: 1.1530977098274038
Energy: 1.0086485373786345
Energy: 1.153097709826652
Energy: 0.9737480632492105
Energy: 1.1530977098274038
Energy: 0.9030283497073709
Energy: 0.8926394667772267
Energy: 1.2748585054333854
Energy: 0.8926394667772267
Energy: 0.9030283497073709
Energy: 0.8926394667772267
Energy: 0.9883185204717557
Energy: 1.2018749216850761
Energy: 1.2851906669258588
Energy: 1.2018749216850761
Energy: 0.9883185204710039
Energy: 1.2018749216850761
Energy: 0.8970175082443561
Energy: 0.8945594677372549
Energy: 1.1898800838813939
Energy: 0.8945594677372549
Energy: 0.8970175082436043
Energy: 0.8945594677372549
Energy: 0.9012990937199871
Energy: 1.2116721540372402
Energy: 1.2365074558332974
Energy: 1.2116721540372402
Energy: 0.9012990937199871
Energy: 1.2116721540372402
Energy: 0.8924048727670773
Energy: 1.1191211156733671
Energy: 1.2750285973764877
Energy: 1.1191211156733671
Energy: 0.8924048727670773
Energy: 1.1191211156733671
Energy: 0.9643478399223964
Energy: 1.2015621796092395
Energy: 1.2868303560009184
Energy: 1.2015621796092395
Energy: 0.9643478399223964
Energy: 1.2015621796092395
Energy: 0.9640385007824629
Energy: 1.1172559014840282
Energy: 1.2587105061068256
Energy: 1.1172559014847798
Energy: 0.9640385007832148
Energy: 1.1172559014847798
Energy: 0.9691615590965724
Energy: 1.211922143968496
Energy: 1.0088890764765475
Energy: 1.2119221439692476
Energy: 0.9691615590965724
Energy: 1.211922143968496
Energy: 0.9687756150990701
Energy: 1.1517953834276151
Energy: 1.099339684675196
Energy: 1.1517953834276151
Energy: 0.9687756150990701
Energy: 1.1517953834276151
Energy: 1.258801398155954
Energy: 1.1885487780142712
Energy: 0.9793396607706
Energy: 1.188548778015023
Energy: 1.258801398155954
Energy: 1.1885487780142712
Energy: 1.258084592619014
Energy: 1.2004284735177209
Energy: 0.9653428923854493
Energy: 1.2004284735184727
Energy: 1.258084592619014
Energy: 1.2004284735177209
Energy: 1.2844059948238973
Energy: 1.21227198984973
Energy: 0.9036824498604048
Energy: 1.21227198984973
Energy: 1.2844059948238973
Energy: 1.21227198984973
Energy: 1.284325570935526
Energy: 1.2020011274237687
Energy: 1.0288647890889273
Energy: 1.2020011274237687
Energy: 1.284325570935526
Energy: 1.2020011274237687
Energy: 1.2849183638851736
Energy: 1.1394077751207456
Energy: 0.8980028584942358
Energy: 1.1394077751207456
Energy: 1.2849183638859254
Energy: 1.1394077751207456
Energy: 1.2848004104030157
Energy: 1.1832504375717154
Energy: 0.8970242353510766
Energy: 1.1832504375724675
Energy: 1.284800410402264
Energy: 1.1832504375717154
Energy: 1.2843352680799103
Energy: 1.2022065694690902
Energy: 1.1259494876461587
Energy: 1.2022065694690902
Energy: 1.284335268080662
Energy: 1.2022065694690902
Energy: 1.2847121999715674
Energy: 1.2121206930677797
Energy: 0.9064745038668136
Energy: 1.2121206930677797
Energy: 1.2847121999715674
Energy: 1.2121206930677797
Energy: 1.2586606727074645
Energy: 1.2003328368408506
Energy: 0.9654261281538814
Energy: 1.2003328368408506
Energy: 1.2586606727074645
Energy: 1.2003328368408506
Energy: 1.2581271131966247
Energy: 1.1885407030745505
Energy: 0.9791545903547082
Energy: 1.1885407030745505
Energy: 1.2581271131966247
Energy: 1.1885407030745505
Energy: 0.9688101099053815
Energy: 1.151549656996056
Energy: 1.2589269468380961
Energy: 1.151549656996056
Energy: 0.9688101099053815
Energy: 1.151549656996056
Energy: 0.9692941088802645
Energy: 1.2120291057342725
Energy: 1.0088356036026387
Energy: 1.2120291057342725
Energy: 0.9692941088802645
Energy: 1.2120291057342725
Energy: 0.9640901323663901
Energy: 1.1172559014832761
Energy: 1.2021734222139822
Energy: 1.1172559014832761
Energy: 0.9640901323663901
Energy: 1.1172559014832761
Energy: 0.9643465246318731
Energy: 1.199986022038179
Energy: 1.2864786635106593
Energy: 1.1999860220374272
Energy: 0.9643465246318731
Energy: 1.199986022038179
Energy: 0.8924863791963437
Energy: 0.8988586631081487
Energy: 1.2583674959209763
Energy: 0.8988586631081487
Energy: 0.8924863791963437
Energy: 0.8988586631081487
Energy: 0.9014667489000333
Energy: 1.211727596226292
Energy: 1.2368954746850434
Energy: 1.2117275962270435
Energy: 0.9014667489000333
Energy: 1.2117275962270435
Energy: 0.8969322672726926
Energy: 0.8938172863675228
Energy: 1.1893631618115585
Energy: 0.8938172863675228
Energy: 0.8969322672719408
Energy: 0.893817286366771
Energy: 0.9883185204717557
Energy: 1.201926636670717
Energy: 1.287178386638011
Energy: 1.201926636670717
Energy: 0.9883185204717557
Energy: 1.201926636670717
Energy: 0.9028145384662865
Energy: 0.8930130818468945
Energy: 1.2589974599695906
Energy: 0.8930130818476465
Energy: 0.9028145384662865
Energy: 0.8930130818468945
Energy: 0.9742437346173818
Energy: 1.1531717398410914
Energy: 1.0086794095843423
Energy: 1.1531717398410914
Energy: 0.9742437346166299
Energy: 1.1531717398410914
Energy: 0.9871833492812738
Energy: 0.8963996046248445
Energy: 1.1170507719969507
Energy: 0.8963996046248445
Energy: 0.9871833492812738
Energy: 0.8963996046255964

minimum gb energy = 0.8924048727670773 eV
minimum distance =  2.27364418024934 Angstroms
sigma value = 43


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

Energy: 1.420094918572581
Energy: 1.311558823401393
Energy: 1.1457481959967262
Energy: 1.311558823401393
Energy: 1.420094918572581
Energy: 1.311558823401393
Energy: 1.3069682884960248
Energy: 1.0053676581039819
Energy: 0.9547048334859913
Energy: 1.0053676581039819
Energy: 1.3069682884960248
Energy: 1.0053676581039819
Energy: 1.0184948330673427
Energy: 0.953321606293598
Energy: 1.1102126561805157
Energy: 0.953321606293598
Energy: 1.0184948330673427
Energy: 0.953321606293598
Energy: 1.3090515791718937
Energy: 0.953514522042009
Energy: 0.9544451338561559
Energy: 0.953514522042009
Energy: 1.3090515791718937
Energy: 0.953514522042009
Energy: 0.9685863575194475
Energy: 1.2626817097787435
Energy: 1.0614563294607013
Energy: 1.2626817097787435
Energy: 0.9685863575194475
Energy: 1.2626817097787435
Energy: 0.9673810434997983
Energy: 0.9572561065337775
Energy: 0.9543172898574378
Energy: 0.957256106532854
Energy: 0.9673810434997983
Energy: 0.9572561065337775
Energy: 0.9537524235070853
Energy: 0.9541179596717013
Energy: 1.1428324735660642
Energy: 0.9541179596717013
Energy: 0.9537524235070853
Energy: 0.954117959670778
Energy: 1.0177925635619705
Energy: 1.242221214461266
Energy: 1.01194041409389
Energy: 1.242221214461266
Energy: 1.0177925635619705
Energy: 1.242221214461266
Energy: 0.9510987140646187
Energy: 0.9521849743816561
Energy: 1.2367781364419037
Energy: 0.9521849743816561
Energy: 0.9510987140646187
Energy: 0.9521849743807326
Energy: 0.9693991498638556
Energy: 1.2982686377970838
Energy: 1.3510341703113626
Energy: 1.2982686377970838
Energy: 0.9693991498638556
Energy: 1.2982686377970838
Energy: 0.9536647813681597
Energy: 1.285914367866182
Energy: 1.1311732966459724
Energy: 1.285914367866182
Energy: 0.9536647813681597
Energy: 1.285914367866182
Energy: 0.9514888161086128
Energy: 0.9582949539698704
Energy: 1.0121058811888652
Energy: 0.9582949539698704
Energy: 0.9514888161086128
Energy: 0.9582949539707939
Energy: 0.950938417738234
Energy: 0.9514675407735366
Energy: 1.2278522278036534
Energy: 0.9514675407735366
Energy: 0.950938417738234
Energy: 0.9514675407735366
Energy: 0.9547876404742568
Energy: 1.2971975930706376
Energy: 0.9541940618634336
Energy: 1.2971975930706376
Energy: 0.9547876404751804
Energy: 1.2971975930706376
Energy: 0.9537172757592666
Energy: 1.2456604266568292
Energy: 0.957173451809505
Energy: 1.2456604266568292
Energy: 0.9537172757592666
Energy: 1.2456604266577527
Energy: 1.3067487583576471
Energy: 0.9548611719719019
Energy: 0.9549800164325283
Energy: 0.9548611719719019
Energy: 1.3067487583576471
Energy: 0.9548611719709783
Energy: 1.306788103270186
Energy: 1.2417285475371043
Energy: 1.2370965187995637
Energy: 1.2417285475371043
Energy: 1.306788103270186
Energy: 1.2417285475371043
Energy: 1.3546354608620297
Energy: 1.2978219348048734
Energy: 0.9544649703431318
Energy: 1.2978219348048734
Energy: 1.3546354608629532
Energy: 1.2978219348048734
Energy: 1.3506318654833391
Energy: 1.296227542536673
Energy: 0.9563799268446493
Energy: 1.296227542536673
Energy: 1.3506318654833391
Energy: 1.296227542536673
Energy: 1.3067520349728352
Energy: 1.3014762857325843
Energy: 0.9545944782518531
Energy: 1.3014762857335078
Energy: 1.3067520349728352
Energy: 1.3014762857335078
Energy: 1.3067340186444805
Energy: 1.3447034166254972
Energy: 0.9626592125517401
Energy: 1.3447034166254972
Energy: 1.3067340186444805
Energy: 1.3447034166254972
Energy: 0.954448140059986
Energy: 1.2462731611659346
Energy: 0.9546807321555048
Energy: 1.2462731611659346
Energy: 0.9544481400609095
Energy: 1.2462731611659346
Energy: 0.9542045581827058
Energy: 1.296495920651788
Energy: 0.9543783440990932
Energy: 1.296495920651788
Energy: 0.9542045581836294
Energy: 1.296495920651788
Energy: 0.95139079401622
Energy: 1.285688924000897
Energy: 0.9569209365114246
Energy: 1.285688924000897
Energy: 0.95139079401622
Energy: 1.285688924000897
Energy: 0.9511579481323102
Energy: 1.344528764224706
Energy: 1.0102523936604364
Energy: 1.344528764224706
Energy: 0.9511579481323102
Energy: 1.344528764224706
Energy: 0.9539090248656548
Energy: 1.2856778796626323
Energy: 1.3070621067332768
Energy: 1.2856778796626323
Energy: 0.9539090248656548
Energy: 1.2856778796626323
Energy: 0.9513226890577215
Energy: 1.296358283481039
Energy: 1.351538086604121
Energy: 1.296358283481039
Energy: 0.9513226890577215
Energy: 1.296358283481039
Energy: 0.9515466485229364
Energy: 1.2812002711273112
Energy: 1.181342638401691
Energy: 1.2812002711273112
Energy: 0.9515466485229364
Energy: 1.2812002711273112
Energy: 1.0153334592533596
Energy: 1.2416752489364757
Energy: 1.0111170025607583
Energy: 1.2416752489364757
Energy: 1.0153334592533596
Energy: 1.2416752489364757
Energy: 0.9539289304089795
Energy: 0.9544528994303381
Energy: 1.1306863098623017
Energy: 0.9544528994303381
Energy: 0.9539289304089795
Energy: 0.9544528994303381
Energy: 0.9632258377254933
Energy: 1.2462054138008627
Energy: 0.954138901534992
Energy: 1.2462054138008627
Energy: 0.9632258377254933
Energy: 1.2462054138017864

minimum gb energy = 0.950938417738234 eV
minimum distance =  2.21757847168946 Angstroms
sigma value = 57


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

Energy: 1.1220211791800974
Energy: 1.416670688119999
Energy: 1.1996790612054544
Energy: 1.416670688119999
Energy: 1.1220211791800974
Energy: 1.416670688119999
Energy: 1.043890589925651
Energy: 1.099630836026888
Energy: 1.0366977266656272
Energy: 1.099630836026888
Energy: 1.0438905899244555
Energy: 1.099630836026888
Energy: 1.0413805304068178
Energy: 1.413123904250266
Energy: 1.1999659876125397
Energy: 1.413123904250266
Energy: 1.0413805304068178
Energy: 1.413123904250266
Energy: 1.0396065986892002
Energy: 1.0270212814121524
Energy: 1.0364526142460697
Energy: 1.0270212814133481
Energy: 1.0396065986892002
Energy: 1.0270212814121524
Energy: 1.0337258092551382
Energy: 1.0411839036108268
Energy: 1.0240587234290472
Energy: 1.0411839036108268
Energy: 1.0337258092551382
Energy: 1.0411839036108268
Energy: 1.0365092537427008
Energy: 1.4016666461301555
Energy: 1.0383787017326824
Energy: 1.4016666461301555
Energy: 1.0365092537427008
Energy: 1.4016666461313512
Energy: 1.0260321608617438
Energy: 1.232950502788272
Energy: 1.0360173286533718
Energy: 1.232950502788272
Energy: 1.0260321608617438
Energy: 1.232950502788272
Energy: 1.0354672466176476
Energy: 1.4037828120824227
Energy: 1.1211238382906956
Energy: 1.4037828120824227
Energy: 1.0354672466176476
Energy: 1.4037828120824227
Energy: 1.0341439459955695
Energy: 1.0984287784132358
Energy: 1.0246422038943521
Energy: 1.0984287784132358
Energy: 1.0341439459955695
Energy: 1.0984287784132358
Energy: 1.0276929056988717
Energy: 1.4039605311158716
Energy: 1.0387391492800717
Energy: 1.4039605311158716
Energy: 1.0276929056988717
Energy: 1.4039605311158716
Energy: 1.0259993814842716
Energy: 1.0263266812873721
Energy: 1.034783759082567
Energy: 1.0263266812873721
Energy: 1.0259993814842716
Energy: 1.0263266812873721
Energy: 1.036600999837921
Energy: 1.2348507709252932
Energy: 1.0368714524552196
Energy: 1.2348507709252932
Energy: 1.036600999837921
Energy: 1.2348507709252932
Energy: 1.0345012727686402
Energy: 1.4000553152964996
Energy: 1.0569754553968806
Energy: 1.4000553152964996
Energy: 1.0345012727686402
Energy: 1.4000553152964996
Energy: 1.0338527815945877
Energy: 1.416671905448431
Energy: 1.030130365326102
Energy: 1.416671905448431
Energy: 1.0338527815933918
Energy: 1.416671905448431
Energy: 1.0357631201844366
Energy: 1.4029382767633225
Energy: 1.0387752104011514
Energy: 1.4029382767633225
Energy: 1.0357631201844366
Energy: 1.4029382767633225
Energy: 1.0361378253185016
Energy: 1.4241559017248937
Energy: 1.037246844242607
Energy: 1.4241559017248937
Energy: 1.0361378253185016
Energy: 1.4241559017248937
Energy: 1.0348965717199592
Energy: 1.2356269725732014
Energy: 1.0260722623094867
Energy: 1.2356269725720057
Energy: 1.0348965717199592
Energy: 1.2356269725732014
Energy: 1.0277170237739344
Energy: 1.0564489818157656
Energy: 1.0277045855030305
Energy: 1.0564489818157656
Energy: 1.0277170237739344
Energy: 1.0564489818145701
Energy: 1.026074776716504
Energy: 1.2355197650639957
Energy: 1.0348985232725314
Energy: 1.2355197650639957
Energy: 1.0260747767176999
Energy: 1.2355197650639957
Energy: 1.0372274875618341
Energy: 1.4239425919969961
Energy: 1.0361350848281354
Energy: 1.4239425919969961
Energy: 1.0372274875618341
Energy: 1.4239425919969961
Energy: 1.038732597906033
Energy: 1.4029359484693016
Energy: 1.035896820081841
Energy: 1.4029359484693016
Energy: 1.038732597906033
Energy: 1.4029359484681059
Energy: 1.0300961925164218
Energy: 1.2298104269097399
Energy: 1.0337649481822708
Energy: 1.2298104269097399
Energy: 1.0300961925164218
Energy: 1.2298104269097399
Energy: 1.1100216088781454
Energy: 1.4000607812825616
Energy: 1.0343989535851679
Energy: 1.4000607812837575
Energy: 1.1100216088781454
Energy: 1.4000607812825616
Energy: 1.0368216529891292
Energy: 1.2350032948870202
Energy: 1.0366071255296287
Energy: 1.2350032948870202
Energy: 1.0368216529891292
Energy: 1.2350032948870202

minimum gb energy = 1.0240587234290472 eV
minimum distance =  2.22059325827961 Angstroms
sigma value = 17


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

Energy: 1.1245974041771558
Energy: 1.1227118015909359
Energy: 1.1310092939986494
Energy: 1.1227118015909359
Energy: 1.124597404178847
Energy: 1.1227118015909359
Energy: 1.0967349727686897
Energy: 1.1023713235556267
Energy: 1.102954921652889
Energy: 1.1023713235556267
Energy: 1.0967349727686897
Energy: 1.1023713235556267
Energy: 1.1020499356795286
Energy: 1.1021133394385065
Energy: 1.1100159359538417
Energy: 1.1021133394385065
Energy: 1.1020499356795286
Energy: 1.1021133394385065
Energy: 1.1111741493143352
Energy: 1.1014673307227407
Energy: 1.1013527175684361
Energy: 1.1014673307227407
Energy: 1.1111741493143352
Energy: 1.1014673307227407
Energy: 1.1016885624816628
Energy: 1.1019314974330976
Energy: 1.1143890586281446
Energy: 1.1019314974330976
Energy: 1.1016885624816628
Energy: 1.1019314974330976
Energy: 1.1027510940436016
Energy: 1.123349825944173
Energy: 1.125256069625833
Energy: 1.123349825944173
Energy: 1.1027510940436016
Energy: 1.123349825944173
Energy: 1.1059413624935561
Energy: 1.254427679163152
Energy: 1.1150235871810406
Energy: 1.254427679163152
Energy: 1.1059413624935561
Energy: 1.254427679163152
Energy: 1.1028031353730925
Energy: 1.4062429459000105
Energy: 1.1014462083985033
Energy: 1.4062429459000105
Energy: 1.1028031353730925
Energy: 1.4062429458983197
Energy: 1.101642370204008
Energy: 1.1015867456179895
Energy: 1.1578527169753186
Energy: 1.1015867456179895
Energy: 1.101642370204008
Energy: 1.1015867456179895
Energy: 1.1232723073059172
Energy: 1.0925364847444121
Energy: 1.1030339180341275
Energy: 1.0925364847444121
Energy: 1.1232723073059172
Energy: 1.0925364847444121
Energy: 1.1283658215114094
Energy: 1.1032915580529896
Energy: 1.1017742909075954
Energy: 1.1032915580529896
Energy: 1.1283658215114094
Energy: 1.1032915580529896
Energy: 1.1015705649203524
Energy: 1.1044733426717452
Energy: 1.1082603323555968
Energy: 1.1044733426700544
Energy: 1.1015705649203524
Energy: 1.1044733426717452
Energy: 1.101831260267422
Energy: 1.261409844323162
Energy: 1.1019442756820907
Energy: 1.261409844323162
Energy: 1.101831260267422
Energy: 1.261409844323162
Energy: 1.1037651934456059
Energy: 1.1026474907001045
Energy: 1.1045318139212708
Energy: 1.1026474907001045
Energy: 1.1037651934456059
Energy: 1.1026474907001045
Energy: 1.1063001510415222
Energy: 1.2138224079072926
Energy: 1.1231430193698368
Energy: 1.2138224079056015
Energy: 1.1063001510415222
Energy: 1.2138224079056015
Energy: 1.1077143159832024
Energy: 1.1038171203173857
Energy: 1.1243454013779026
Energy: 1.1038171203173857
Energy: 1.1077143159832024
Energy: 1.1038171203173857
Energy: 1.102288849812837
Energy: 1.1042793391946082
Energy: 1.1018013303207161
Energy: 1.1042793391946082
Energy: 1.102288849812837
Energy: 1.1042793391946082

minimum gb energy = 1.0925364847444121 eV
minimum distance =  2.25082102624416 Angstroms
sigma value = 17


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

Energy: 1.63361929146143
Energy: 1.6270824277897764
Energy: 1.218425928511979
Energy: 1.6270824277897764
Energy: 1.63361929146143
Energy: 1.6270824277897764
Energy: 1.3733786336760796
Energy: 1.1047885183009845
Energy: 1.0966168268462064
Energy: 1.1047885183009845
Energy: 1.3733786336754263
Energy: 1.1047885183009845
Energy: 1.10624585618231
Energy: 1.1891319107179057
Energy: 1.3438844127753096
Energy: 1.1891319107172529
Energy: 1.10624585618231
Energy: 1.1891319107179057
Energy: 1.1040645111707799
Energy: 1.0934436617131031
Energy: 1.2031740728210032
Energy: 1.093443661711144
Energy: 1.1040645111707799
Energy: 1.09344366171245
Energy: 1.0966952633595148
Energy: 1.1359498641808905
Energy: 1.40232607933088
Energy: 1.1359498641815433
Energy: 1.0966952633601676
Energy: 1.1359498641808905
Energy: 1.1959087660465224
Energy: 1.1046173098039007
Energy: 1.235086569634544
Energy: 1.1046173098025946
Energy: 1.1959087660471754
Energy: 1.1046173098039007
Energy: 1.097499409579355
Energy: 1.2043763638708689
Energy: 1.3710071890353392
Energy: 1.2043763638708689
Energy: 1.097499409579355
Energy: 1.2043763638702158
Energy: 1.351607884584372
Energy: 1.0947757250711823
Energy: 1.0953839415769142
Energy: 1.0947757250711823
Energy: 1.351607884584372
Energy: 1.0947757250711823
Energy: 1.2374005420747496
Energy: 1.1043786262324933
Energy: 1.107671461478278
Energy: 1.1043786262318402
Energy: 1.2374005420747496
Energy: 1.1043786262324933
Energy: 1.3442047694799995
Energy: 1.1680698730079548
Energy: 1.0982208573832253
Energy: 1.1680698730079548
Energy: 1.3442047694799995
Energy: 1.1680698730079548
Energy: 1.2056555169489451
Energy: 1.3455843875243294
Energy: 1.1937868913548142
Energy: 1.3455843875243294
Energy: 1.205655516948292
Energy: 1.3455843875236766
Energy: 1.103196852812735
Energy: 1.1037842163007896
Energy: 1.1138806339808505
Energy: 1.1037842163001366
Energy: 1.103196852813388
Energy: 1.1037842163001366
Energy: 1.0994119464911833
Energy: 1.0972338801676977
Energy: 1.5720570673773626
Energy: 1.0972338801676977
Energy: 1.0994119464911833
Energy: 1.0972338801676977
Energy: 1.1064208514557494
Energy: 1.3805954530612128
Energy: 1.5709352883055225
Energy: 1.3805954530612128
Energy: 1.1064208514550964
Energy: 1.3805954530612128
Energy: 1.110260669035389
Energy: 1.5292946001415717
Energy: 1.1940366113779477
Energy: 1.5292946001422245
Energy: 1.1102606690360421
Energy: 1.5292946001422245
Energy: 1.203178174920923
Energy: 1.5196554838324918
Energy: 1.1143875330196809
Energy: 1.5196554838324918
Energy: 1.20317817492027
Energy: 1.5196554838324918
Energy: 1.2151431495230651
Energy: 1.0929291994213088
Energy: 1.1004103871010729
Energy: 1.0929291994213088
Energy: 1.2151431495224123
Energy: 1.0929291994213088
Energy: 1.5478434286509186
Energy: 1.3822631460881512
Energy: 1.112604916421319
Energy: 1.3822631460881512
Energy: 1.5478434286509186
Energy: 1.3822631460881512
Energy: 1.4715303620756863
Energy: 1.3444604755133567
Energy: 1.1022294516975173
Energy: 1.3444604755133567
Energy: 1.4715303620756863
Energy: 1.3444604755133567
Energy: 1.0975725134645165
Energy: 1.166009701565259
Energy: 1.0975862525127593
Energy: 1.166009701563953
Energy: 1.0975725134645165
Energy: 1.1660097015646058
Energy: 1.102205432819419
Energy: 1.344519087278491
Energy: 1.390528671659262
Energy: 1.344519087277838
Energy: 1.102205432819419
Energy: 1.344519087278491
Energy: 1.1125991015817716
Energy: 1.382269833223288
Energy: 1.5478556411760105
Energy: 1.3822698332239407
Energy: 1.1125991015817716
Energy: 1.382269833223288
Energy: 1.1061878729080135
Energy: 1.0930404028925513
Energy: 1.2030749009975297
Energy: 1.0930404028925513
Energy: 1.1061878729086667
Energy: 1.0930404028918985
Energy: 1.1144229157912686
Energy: 1.3346496679534772
Energy: 1.2030702535986475
Energy: 1.3346496679534772
Energy: 1.1144229157912686
Energy: 1.3346496679534772
Energy: 1.1940599091337027
Energy: 1.5292042614106376
Energy: 1.1026163054959353
Energy: 1.5292042614112906
Energy: 1.1940599091337027
Energy: 1.5292042614112906
Energy: 1.570867563689083
Energy: 1.3806166988065065
Energy: 1.1064430539617067
Energy: 1.3806166988065065
Energy: 1.570867563689083
Energy: 1.3806166988065065
Energy: 1.5720428617899236
Energy: 1.0970542239978351
Energy: 1.0996411763922511
Energy: 1.0970542239984882
Energy: 1.5720428617899236
Energy: 1.0970542239984882
Energy: 1.1138905246840505
Energy: 1.1037177837212473
Energy: 1.1032361516635767
Energy: 1.1037177837192884
Energy: 1.1138905246840505
Energy: 1.1037177837199414
Energy: 1.189783939951381
Energy: 1.345569740194723
Energy: 1.2056575063939767
Energy: 1.345569740194723
Energy: 1.1897839399520338
Energy: 1.345569740194723
Energy: 1.0982396808665051
Energy: 1.1349687390965633
Energy: 1.3442313294444592
Energy: 1.1349687390972163
Energy: 1.0982396808665051
Energy: 1.1349687390965633
Energy: 1.1076452760334883
Energy: 1.1042638549209949
Energy: 1.2373776528846465
Energy: 1.1042638549223012
Energy: 1.1076452760334883
Energy: 1.104263854919689
Energy: 1.0953899422282873
Energy: 1.0948151500488557
Energy: 1.351847149331525
Energy: 1.0948151500488557
Energy: 1.0953899422289106
Energy: 1.0948151500488557
Energy: 1.3710556274946095
Energy: 1.2043806861542352
Energy: 1.0975065309074015
Energy: 1.2043806861542352
Energy: 1.3710556274946095
Energy: 1.2043806861542352
Energy: 1.2350747239206217
Energy: 1.1047255343061035
Energy: 1.1959160852752093
Energy: 1.1047255343054503
Energy: 1.2350747239199686
Energy: 1.1047255343067566
Energy: 1.4023592768493898
Energy: 1.1359498641815433
Energy: 1.096693154074574
Energy: 1.1359498641815433
Energy: 1.4023592768487367
Energy: 1.1359498641815433
Energy: 1.203349580538195
Energy: 1.0934274855863078
Energy: 1.1040641489977405
Energy: 1.0934274855869608
Energy: 1.203349580538195
Energy: 1.093427485585655
Energy: 1.343853734062938
Energy: 1.1889821537114957
Energy: 1.1062491643958952
Energy: 1.1889821537121485
Energy: 1.343853734062938
Energy: 1.1889821537114957
Energy: 1.0966223135573319
Energy: 1.1046459134245654
Energy: 1.3711798138591182
Energy: 1.1046459134239124
Energy: 1.0966223135573319
Energy: 1.1046459134239124
Energy: 1.3643511117415605
Energy: 1.6270824277904297
Energy: 1.6336192914607768
Energy: 1.6270824277904297
Energy: 1.3643511117415605
Energy: 1.6270824277904297
Energy: 1.0966168268462064
Energy: 1.1047885183009845
Energy: 1.3733786336760796
Energy: 1.1047885183009845
Energy: 1.0966168268462064
Energy: 1.1047885183009845
Energy: 1.3438844127746565
Energy: 1.1891319107179057
Energy: 1.10624585618231
Energy: 1.1891319107179057
Energy: 1.3438844127746565
Energy: 1.1891319107185587
Energy: 1.2031740728210032
Energy: 1.09344366171245
Energy: 1.1040645111701266
Energy: 1.09344366171245
Energy: 1.2031740728210032
Energy: 1.0934436617117973
Energy: 1.40232607933088
Energy: 1.1359498641815433
Energy: 1.0966952633595148
Energy: 1.1359498641815433
Energy: 1.40232607933088
Energy: 1.1359498641815433

minimum gb energy = 1.0929291994213088 eV
minimum distance =  2.23514952008939 Angstroms
sigma value = 57


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

Energy: 1.257452688305936
Energy: 1.074031201581211
Energy: 1.4195009052570815
Energy: 1.0740312015833375
Energy: 1.257452688305936
Energy: 1.0740312015833375
Energy: 1.1831110673758327
Energy: 1.0769229169805596
Energy: 1.0771640524416881
Energy: 1.0769229169805596
Energy: 1.183111067376896
Energy: 1.0769229169805596
Energy: 1.0736961153178377
Energy: 1.2167363277346674
Energy: 1.1743082847650168
Energy: 1.2167363277346674
Energy: 1.0736961153167748
Energy: 1.2167363277346674
Energy: 1.2640954118871386
Energy: 1.2161806524497083
Energy: 1.216504586990653
Energy: 1.2161806524507717
Energy: 1.2640954118871386
Energy: 1.2161806524507717
Energy: 1.07665535345752
Energy: 1.1268459958848334
Energy: 1.255397452765704
Energy: 1.1268459958858965
Energy: 1.07665535345752
Energy: 1.1268459958848334
Energy: 1.2233417706125298
Energy: 1.2158779164533438
Energy: 1.2164652618432612
Energy: 1.2158779164522804
Energy: 1.223341770613593
Energy: 1.2158779164533438
Energy: 1.0765153583948928
Energy: 1.2230008099851752
Energy: 1.0851628819551369
Energy: 1.2230008099851752
Energy: 1.0765153583948928
Energy: 1.2230008099841119
Energy: 1.08392899923175
Energy: 1.1355454280621016
Energy: 1.077130043430915
Energy: 1.1355454280621016
Energy: 1.0839289992328132
Energy: 1.1355454280610382
Energy: 1.2601145001114782
Energy: 1.5980854677671954
Energy: 1.0867585755689937
Energy: 1.5980854677671954
Energy: 1.2601145001114782
Energy: 1.5980854677682583
Energy: 1.1669955372984073
Energy: 1.0771657769079104
Energy: 1.082477809008109
Energy: 1.0771657769079104
Energy: 1.1669955372984073
Energy: 1.0771657769079104
Energy: 1.0766890124568917
Energy: 1.0791569075923049
Energy: 1.217139257735075
Energy: 1.0791569075912417
Energy: 1.0766890124568917
Energy: 1.0791569075923049
Energy: 1.131676414513144
Energy: 1.217767640848369
Energy: 1.2214051872564247
Energy: 1.217767640848369
Energy: 1.131676414513144
Energy: 1.217767640848369
Energy: 1.0818901948071888
Energy: 1.2103941491896586
Energy: 1.2170178870354602
Energy: 1.2103941491907217
Energy: 1.0818901948071888
Energy: 1.2103941491896586
Energy: 1.2223428450568767
Energy: 1.2639143532708814
Energy: 1.2213071813168728
Energy: 1.2639143532719446
Energy: 1.2223428450568767
Energy: 1.2639143532708814
Energy: 1.0847444684382617
Energy: 1.2185054426371484
Energy: 1.0872739688938204
Energy: 1.2185054426371484
Energy: 1.0847444684382617
Energy: 1.2185054426371484
Energy: 1.0744961711468852
Energy: 1.1535035210255926
Energy: 1.082210874782058
Energy: 1.1535035210213396
Energy: 1.366825756318727
Energy: 1.153503521027719
Energy: 1.268284640068261
Energy: 1.4373481533083556
Energy: 1.089043408988878
Energy: 1.4373481533072923
Energy: 1.268284640068261
Energy: 1.4373481533072923
Energy: 1.222473308524087
Energy: 1.2130382371115869
Energy: 1.0854553277049899
Energy: 1.21303823711265
Energy: 1.2224733085251505
Energy: 1.2130382371115869
Energy: 1.085187398220627
Energy: 1.0765044341266528
Energy: 1.2164968528554485
Energy: 1.0765044341287793
Energy: 1.085187398220627
Energy: 1.0765044341287793
Energy: 1.216090715264992
Energy: 1.2111727120188396
Energy: 1.229988534045206
Energy: 1.211172712000813
Energy: 1.216090715264992
Energy: 1.211172712016713
Energy: 1.0829156289544417
Energy: 1.211297695020355
Energy: 1.2165295142981745
Energy: 1.211297695020355
Energy: 1.0829156289544417
Energy: 1.211297695020355
Energy: 1.0816001790205378
Energy: 1.0760611876761728
Energy: 1.2272100362715683
Energy: 1.076061187677236
Energy: 1.0816001790205378
Energy: 1.076061187677236
Energy: 1.0865560433499064
Energy: 1.2123872938433862
Energy: 1.0841594898570015
Energy: 1.2123872938433862
Energy: 1.0865560433509698
Energy: 1.2123872938433862
Energy: 1.2570819108477371
Energy: 1.4357586660368349
Energy: 1.0846412821424556
Energy: 1.4357586660368349
Energy: 1.2570819108477371
Energy: 1.435758666037898
Energy: 1.2574278635043135
Energy: 1.435509263671743
Energy: 1.0804785176991296
Energy: 1.4355092636728062
Energy: 1.25742786350325
Energy: 1.435509263671743
Energy: 1.0816563579119292
Energy: 1.21848734361207
Energy: 1.082178402253417
Energy: 1.21848734361207
Energy: 1.081656357910866
Energy: 1.2184873436131332
Energy: 1.0872039445071224
Energy: 1.0755660348072031
Energy: 1.225531931409878
Energy: 1.0755660348082665
Energy: 1.0872039445081856
Energy: 1.0755660348050766

minimum gb energy = 1.0736961153167748 eV
minimum distance =  2.28441998283203 Angstroms
sigma value = 43


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

Energy: 1.3174835218886343
Energy: 1.1452590431449035
Energy: 1.2448413139681278
Energy: 1.1452590431449035
Energy: 1.3174835218886343
Energy: 1.1452590431441287
Energy: 1.1671472126052664
Energy: 1.12880663909825
Energy: 1.1194847062732796
Energy: 1.128806639099025
Energy: 1.1671472126052664
Energy: 1.12880663909825
Energy: 1.118788592351636
Energy: 1.2465804119512385
Energy: 1.1193879864906726
Energy: 1.2465804119512385
Energy: 1.118788592351636
Energy: 1.2465804119512385
Energy: 1.2904989502689852
Energy: 1.1187529519474293
Energy: 1.2588652584364424
Energy: 1.1187529519458799
Energy: 1.2904989502689852
Energy: 1.1187529519466546
Energy: 1.119786401389615
Energy: 1.175393704102519
Energy: 1.2223927663815775
Energy: 1.175393704102519
Energy: 1.119786401389615
Energy: 1.175393704102519
Energy: 1.2305306626920691
Energy: 1.2344096196443657
Energy: 1.1457367400784555
Energy: 1.2344096196443657
Energy: 1.230530662692844
Energy: 1.2344096196443657
Energy: 1.1472518067241502
Energy: 1.2349309497951582
Energy: 1.1291171660963069
Energy: 1.2349309497951582
Energy: 1.1472518067241502
Energy: 1.2349309497959329
Energy: 1.2495451391936
Energy: 1.175496631895242
Energy: 1.119590209036726
Energy: 1.175496631895242
Energy: 1.2495451391936
Energy: 1.175496631895242
Energy: 1.2603257727146302
Energy: 1.118766479713287
Energy: 1.2428920534224648
Energy: 1.118766479713287
Energy: 1.2603257727146302
Energy: 1.118766479713287
Energy: 1.347742422409957
Energy: 1.2478774283497844
Energy: 1.1235200587783007
Energy: 1.2478774283497844
Energy: 1.347742422409957
Energy: 1.2478774283497844
Energy: 1.1212724878896876
Energy: 1.1777870021134658
Energy: 1.4816830825450273
Energy: 1.1777870021134658
Energy: 1.121272487888913
Energy: 1.1777870021134658
Energy: 1.1294037520045783
Energy: 1.1451290796643085
Energy: 1.321747324362764
Energy: 1.145129079663534
Energy: 1.1294037520045783
Energy: 1.145129079663534
Energy: 1.1191352515276187
Energy: 1.1294763684694342
Energy: 1.2428875641620611
Energy: 1.1294763684694342
Energy: 1.1191352515283934
Energy: 1.1294763684694342
Energy: 1.2579460887986857
Energy: 1.1183197824123856
Energy: 1.1231843086746
Energy: 1.1183197824116111
Energy: 1.2579460887986857
Energy: 1.1183197824108364
Energy: 1.258225141950812
Energy: 1.1193547050686004
Energy: 1.129509916116631
Energy: 1.119354705069375
Energy: 1.258225141950812
Energy: 1.119354705069375
Energy: 1.2354134922772684
Energy: 1.244237660778002
Energy: 1.1176681866506668
Energy: 1.244237660778002
Energy: 1.2354134922772684
Energy: 1.2442376607772274
Energy: 1.1448519458691127
Energy: 1.1445520026943807
Energy: 1.2356753856942946
Energy: 1.1445520026943807
Energy: 1.1448519458691127
Energy: 1.1445520026943807
Energy: 1.1284073001186072
Energy: 1.2338711332560817
Energy: 1.1445440848858364
Energy: 1.2338711332560817
Energy: 1.1284073001186072
Energy: 1.2338711332560817
Energy: 1.1280486272866308
Energy: 1.1301747066256356
Energy: 1.2582224931541333
Energy: 1.1301747066256356
Energy: 1.1280486272866308
Energy: 1.1301747066256356
Energy: 1.1185189477391408
Energy: 1.259994350126521
Energy: 1.2582222994548047
Energy: 1.259994350126521
Energy: 1.1185189477391408
Energy: 1.2599943501272957
Energy: 1.121358263798302
Energy: 1.246825769425616
Energy: 1.1286175059138863
Energy: 1.246825769425616
Energy: 1.121358263798302
Energy: 1.246825769425616
Energy: 1.6321282173270801
Energy: 1.1272605942937444
Energy: 1.1196066270852019
Energy: 1.1272605942937444
Energy: 1.6321282173270801
Energy: 1.1272605942937444
Energy: 1.7225283855638516
Energy: 1.1189067013679863
Energy: 1.1287713157705874
Energy: 1.118906701368761
Energy: 1.7225283855638516
Energy: 1.1189067013695355
Energy: 1.1187421205883041
Energy: 1.2455014369011304
Energy: 1.1285462736075351
Energy: 1.2455014369011304
Energy: 1.1187421205883041
Energy: 1.2455014369011304
Energy: 1.1219336809586145
Energy: 1.2591869321527385
Energy: 1.2584287659052338
Energy: 1.2591869321527385
Energy: 1.1219336809586145
Energy: 1.2591869321712956
Energy: 1.12783192938823
Energy: 1.285042476489567
Energy: 1.2585731113129304
Energy: 1.2850424764903416
Energy: 1.12783192938823
Energy: 1.285042476489567
Energy: 1.1287813953651038
Energy: 1.2443050301408
Energy: 1.2350125463039119
Energy: 1.2443050301400256
Energy: 1.1287813953651038
Energy: 1.2443050301408
Energy: 1.2350650365943308
Energy: 1.6141005572156308
Energy: 1.235224904076626
Energy: 1.6141005572156308
Energy: 1.2350650365943308
Energy: 1.6141005572156308
Energy: 1.235058902431051
Energy: 1.244255412859825
Energy: 1.1174092839891525
Energy: 1.244255412859825
Energy: 1.235058902431051
Energy: 1.2442554128605996
Energy: 1.2583049189563145
Energy: 1.2848960142886974
Energy: 1.1278365160879527
Energy: 1.2848960142886974
Energy: 1.2583049189563145
Energy: 1.2848960142886974
Energy: 1.2586496915870664
Energy: 1.2591911851082958
Energy: 1.1215970962293662
Energy: 1.2591911851090705
Energy: 1.2586496915870664
Energy: 1.2591911851090705
Energy: 1.1285874623567356
Energy: 1.245317122676979
Energy: 1.1187327038538648
Energy: 1.2453171226762043
Energy: 1.1285874623567356
Energy: 1.2453171226762043
Energy: 1.1287504570582818
Energy: 1.1188611786948324
Energy: 1.516402137540454
Energy: 1.1188611786971567
Energy: 1.128750457055958
Energy: 1.1188611786932832
Energy: 1.1196107056138767
Energy: 1.1273504468532805
Energy: 1.631976179119658
Energy: 1.1273504468532805
Energy: 1.1196107056138767
Energy: 1.1273504468532805
Energy: 1.1286062749069032
Energy: 1.2473911859256752
Energy: 1.121465255401947
Energy: 1.2473911859256752
Energy: 1.1286062749069032
Energy: 1.2473911859256752
Energy: 1.2582236859308695
Energy: 1.2596448523587762
Energy: 1.1187100963328658
Energy: 1.2596448523587762
Energy: 1.2582236859316445
Energy: 1.2596448523587762

minimum gb energy = 1.1174092839891525 eV
minimum distance =  2.25603090484574 Angstroms
sigma value = 81


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

Energy: 1.138540572386646
Energy: 1.1391747355607733
Energy: 1.1389124998719968
Energy: 1.1391747355604824
Energy: 1.138540572386646
Energy: 1.1391747355607733
Energy: 1.1399973603032683
Energy: 1.1390656463437276
Energy: 1.1386576977059841
Energy: 1.1390656463440187
Energy: 1.1399973603032683
Energy: 1.1390656463440187
Energy: 1.1386533106156471
Energy: 1.1390443652598352
Energy: 1.1402249482572646
Energy: 1.1390443652595763
Energy: 1.138653310615356
Energy: 1.1390443652598352
Energy: 1.1389124998728377
Energy: 1.1391747355604824
Energy: 1.138540572386646
Energy: 1.1391747355604824
Energy: 1.1389124998722877
Energy: 1.1391747355607733
Energy: 1.1386576977059841
Energy: 1.1390656463443096
Energy: 1.1399973603029772
Energy: 1.1390656463440187
Energy: 1.1386576977059841
Energy: 1.1390656463437276
Energy: 1.1398441158698964
Energy: 1.1390443652595763
Energy: 1.1386533106156471
Energy: 1.1390443652598352
Energy: 1.1398441158698964
Energy: 1.1390443652595763
Energy: 1.138540572386646
Energy: 1.1391747355604824
Energy: 1.2041443231015871
Energy: 1.1391747355604824
Energy: 1.138540572386646
Energy: 1.1391747355604824
Energy: 1.1399973603032683
Energy: 1.1390656463440187
Energy: 1.1386576977059841
Energy: 1.1390656463440187
Energy: 1.1399973603032683
Energy: 1.1390656463437276
Energy: 1.138653310615356
Energy: 1.1390443652598352
Energy: 1.1398441158696375
Energy: 1.1390443652595763
Energy: 1.1386533106156471
Energy: 1.1390443652598352
Energy: 1.276848818547123
Energy: 1.1391747355604824
Energy: 1.138540572386646
Energy: 1.1391747355604824
Energy: 1.276848818547123
Energy: 1.1391747355604824

minimum gb energy = 1.138540572386646 eV
minimum distance =  2.2300791263731 Angstroms
sigma value = 3


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

Energy: 1.5598703901892856
Energy: 1.5320319730751537
Energy: 1.1041231611887659
Energy: 1.5320319730751537
Energy: 1.5598703901892856
Energy: 1.5320319730751537
Energy: 1.1210351671390293
Energy: 1.131188695752932
Energy: 1.0930760925676763
Energy: 1.131188695752932
Energy: 1.1210351671390293
Energy: 1.131188695752932
Energy: 1.1042954457346348
Energy: 1.1045341450575905
Energy: 1.1914561887957897
Energy: 1.1045341450584423
Energy: 1.1042954457354863
Energy: 1.1045341450575905
Energy: 1.1043432839545066
Energy: 1.3199710803970062
Energy: 1.1517371018657019
Energy: 1.3199710803970062
Energy: 1.1043432839553586
Energy: 1.3199710803970062
Energy: 1.11974231703973
Energy: 1.1175603416034061
Energy: 1.0924517575816246
Energy: 1.117560341604258
Energy: 1.11974231703973
Energy: 1.1175603416034061
Energy: 1.3239233872118579
Energy: 1.1647571031111437
Energy: 1.0952121187086825
Energy: 1.1647571031111437
Energy: 1.3239233872118579
Energy: 1.1647571031111437
Energy: 1.1199482550515014
Energy: 1.1176953667594924
Energy: 1.1335996931724621
Energy: 1.1176953667594924
Energy: 1.1199482550515014
Energy: 1.117695366760344
Energy: 1.1224619610702269
Energy: 1.3065511291708305
Energy: 1.1560001051176476
Energy: 1.3065511291691267
Energy: 1.1224619610702269
Energy: 1.306551129169979
Energy: 1.1048318450338754
Energy: 1.103836951376812
Energy: 1.5040459803565371
Energy: 1.1038369513759603
Energy: 1.1048318450338754
Energy: 1.1038369513759603
Energy: 1.1042068505002423
Energy: 1.1318926798836741
Energy: 1.0925596150417984
Energy: 1.1318926798828224
Energy: 1.1042068505002423
Energy: 1.1318926798828224
Energy: 1.5446114114623406
Energy: 1.201825870638646
Energy: 1.1384955446825151
Energy: 1.201825870638646
Energy: 1.5446114114623406
Energy: 1.201825870638646
Energy: 1.5157659742157064
Energy: 1.2089866317538378
Energy: 1.0924374404134283
Energy: 1.2089866317538378
Energy: 1.5157659742157064
Energy: 1.2089866317538378
Energy: 1.1051752692348873
Energy: 1.1945216511023606
Energy: 1.0926994716427705
Energy: 1.1945216511023606
Energy: 1.1051752692357393
Energy: 1.1945216511023606
Energy: 1.1040899997963454
Energy: 1.2161832758783295
Energy: 1.1504738471997105
Energy: 1.2161832758774778
Energy: 1.1040899997954938
Energy: 1.2161832758783295
Energy: 1.1173756510278068
Energy: 1.2082498320986497
Energy: 1.1507077103601602
Energy: 1.2082498320986497
Energy: 1.1173756510286583
Energy: 1.2082498320986497
Energy: 1.1179819305756975
Energy: 1.1321312559841519
Energy: 1.0933219635786449
Energy: 1.1321312559841519
Energy: 1.1179819305748457
Energy: 1.1321312559841519
Energy: 1.1175217584527994
Energy: 1.1320595644008764
Energy: 1.093457759032606
Energy: 1.1320595644008764
Energy: 1.1175217584527994
Energy: 1.1320595644008764
Energy: 1.1175271462340743
Energy: 1.2452061758069382
Energy: 1.1506349967059777
Energy: 1.2452061758069382
Energy: 1.1175271462340743
Energy: 1.2452061758069382
Energy: 1.10384546251183
Energy: 1.2164011803735515
Energy: 1.1506423765420797
Energy: 1.2164011803744033
Energy: 1.1038454625109777
Energy: 1.2164011803735515
Energy: 1.1051051311903866
Energy: 1.1333406251175988
Energy: 1.0927020103254403
Energy: 1.1333406251175988
Energy: 1.1051051311903866
Energy: 1.1333406251175988
Energy: 1.513240488385853
Energy: 1.2080908813618312
Energy: 1.0924346983700584
Energy: 1.2080908813618312
Energy: 1.513240488385853
Energy: 1.2080908813618312
Energy: 1.5432620850999064
Energy: 1.201860880134311
Energy: 1.1311584640144399
Energy: 1.201860880134311
Energy: 1.5432620850999064
Energy: 1.201860880134311
Energy: 1.1050896447839613
Energy: 1.1322107539105721
Energy: 1.0925614030224824
Energy: 1.1322107539114237
Energy: 1.1050896447831093
Energy: 1.1322107539105721
Energy: 1.1047883387466984
Energy: 1.1039241354029592
Energy: 1.506412443941814
Energy: 1.1039241354021074
Energy: 1.1047883387466984
Energy: 1.1039241354021074
Energy: 1.118557368596821
Energy: 1.2402017845847872
Energy: 1.1503492730979308
Energy: 1.2402017845847872
Energy: 1.118557368596821
Energy: 1.2402017845847872
Energy: 1.1225122202120181
Energy: 1.2231779823561841
Energy: 1.1646117310706208
Energy: 1.2231779823561841
Energy: 1.1225122202120181
Energy: 1.2231779823561841
Energy: 1.1177573846197908
Energy: 1.1313973811539977
Energy: 1.0949270683379038
Energy: 1.1313973811539977
Energy: 1.1177573846197908
Energy: 1.1313973811539977
Energy: 1.1223513933622635
Energy: 1.2033417917599023
Energy: 1.2975425826447144
Energy: 1.203341791760754
Energy: 1.1223513933631157
Energy: 1.203341791760754
Energy: 1.197734378990848
Energy: 1.3148016153035367
Energy: 1.1535068748383646
Energy: 1.3148016153035367
Energy: 1.197734378990848
Energy: 1.3148016153035367
Energy: 1.1049488768027513
Energy: 1.104439349129665
Energy: 1.2999860945422155
Energy: 1.104439349129665
Energy: 1.1049488768027513
Energy: 1.104439349129665
Energy: 1.1802436216515542
Energy: 1.131532425839534
Energy: 1.095153795142666
Energy: 1.131532425839534
Energy: 1.1802436216515542
Energy: 1.131532425839534
Energy: 1.542287417469631
Energy: 1.3282180497251033
Energy: 1.134438595433016
Energy: 1.3282180497251033
Energy: 1.5422874174687793
Energy: 1.3282180497251033
Energy: 1.118155448514604
Energy: 1.1310579748172758
Energy: 1.0923840364566075
Energy: 1.1310579748172758
Energy: 1.1181554485154557
Energy: 1.1310579748172758

minimum gb energy = 1.0923840364566075 eV
minimum distance =  2.22103213570004 Angstroms
sigma value = 67


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

Energy: 1.119339730634327
Energy: 1.679590618262929
Energy: 1.522739354035395
Energy: 1.6795906182641427
Energy: 1.119339730634327
Energy: 1.6795906182641427
Energy: 1.0556125144647766
Energy: 1.0599214367809688
Energy: 1.0593836005467638
Energy: 1.0599214367809688
Energy: 1.0556125144647766
Energy: 1.0599214367821828
Energy: 1.05554902992091
Energy: 1.1352695130585044
Energy: 1.3239225521803
Energy: 1.1352695130585044
Energy: 1.0555490299221237
Energy: 1.1352695130585044
Energy: 1.5219104777288979
Energy: 1.4231627208488
Energy: 1.056196234221368
Energy: 1.4231627208488
Energy: 1.5219104777288979
Energy: 1.4231627208488
Energy: 1.0585071310529084
Energy: 1.3381047376618587
Energy: 1.061577408550165
Energy: 1.3381047376618587
Energy: 1.0585071310541223
Energy: 1.3381047376606452
Energy: 1.0558666715468596
Energy: 1.0605463671701727
Energy: 1.0593895224827126
Energy: 1.0605463671701727
Energy: 1.0558666715468596
Energy: 1.0605463671701727
Energy: 1.0554688967458186
Energy: 1.0604081766743287
Energy: 1.0669038403921596
Energy: 1.0604081766743287
Energy: 1.0554688967446044
Energy: 1.0604081766743287
Energy: 1.0607979855979515
Energy: 1.3790581035936749
Energy: 1.5913352396955474
Energy: 1.3790581035936749
Energy: 1.0607979855979515
Energy: 1.3790581035936749
Energy: 1.0716130577546157
Energy: 1.1178882447548015
Energy: 1.584589409531508
Energy: 1.1178882447548015
Energy: 1.0716130577546157
Energy: 1.1178882447548015
Energy: 1.060470499864698
Energy: 1.0613703644514951
Energy: 1.065584051381196
Energy: 1.0613703644514951
Energy: 1.060470499864698
Energy: 1.0613703644514951
Energy: 1.055354513097567
Energy: 1.0611360773826763
Energy: 1.0679919536698188
Energy: 1.0611360773826763
Energy: 1.055354513097567
Energy: 1.0611360773826763
Energy: 1.055353226362903
Energy: 1.131064264175374
Energy: 1.0552482140898165
Energy: 1.131064264175374
Energy: 1.055353226362903
Energy: 1.131064264175374
Energy: 1.0679527647375893
Energy: 1.0612100566916485
Energy: 1.0552226356829866
Energy: 1.0612100566916485
Energy: 1.0679527647375893
Energy: 1.0612100566916485
Energy: 1.066463173449153
Energy: 1.0615267816979275
Energy: 1.060719102606537
Energy: 1.0615267816979275
Energy: 1.0664631734479395
Energy: 1.0615267816979275
Energy: 1.5845975476322876
Energy: 1.118166316137846
Energy: 1.0716123171319991
Energy: 1.1181663161366324
Energy: 1.5845975476322876
Energy: 1.1181663161366324
Energy: 1.5913277481266306
Energy: 1.379071704301041
Energy: 1.0608962744548092
Energy: 1.379071704301041
Energy: 1.5913277481266306
Energy: 1.379071704301041
Energy: 1.067097792427361
Energy: 1.0604361500073871
Energy: 1.062673538266513
Energy: 1.0604361500073871
Energy: 1.067097792427361
Energy: 1.0604361500073871
Energy: 1.0595717719563111
Energy: 1.0605737552828416
Energy: 1.055877264075344
Energy: 1.0605737552828416
Energy: 1.0595717719563111
Energy: 1.0605737552828416
Energy: 1.0618087701708283
Energy: 1.3374398391396294
Energy: 1.0584773449810545
Energy: 1.3374398391384157
Energy: 1.0618087701781103
Energy: 1.3374398391384157
Energy: 1.0562007487941847
Energy: 1.136746349719701
Energy: 1.521650046710248
Energy: 1.1367463497184873
Energy: 1.0562007487941847
Energy: 1.136746349719701
Energy: 1.3237591727585312
Energy: 1.1352695130585044
Energy: 1.0628034280848437
Energy: 1.1352695130585044
Energy: 1.3237591727585312
Energy: 1.1352695130585044
Energy: 1.0593818223258042
Energy: 1.0599329812969283
Energy: 1.055113319289689
Energy: 1.0599329812969283
Energy: 1.0593818223258042
Energy: 1.0599329812969283
Energy: 1.3305018913722904
Energy: 1.6795906182641427
Energy: 1.119339730634327
Energy: 1.679590618262929
Energy: 1.3305018913722904
Energy: 1.679590618262929

minimum gb energy = 1.055113319289689 eV
minimum distance =  2.23735797703229 Angstroms
sigma value = 33


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

Energy: 1.3862246542102417
Energy: 1.0343441983125565
Energy: 1.5155205577801836
Energy: 1.0343441983133266
Energy: 1.3862246542102417
Energy: 1.0343441983133266
Energy: 1.494032102521527
Energy: 1.363199753021112
Energy: 0.9893526178620419
Energy: 1.363199753021112
Energy: 1.494032102521527
Energy: 1.363199753021112
Energy: 0.9942928184646425
Energy: 1.0550056532293228
Energy: 1.4593755476895778
Energy: 1.055005653228553
Energy: 0.9942928184654124
Energy: 1.0550056532293228
Energy: 1.0578102603029436
Energy: 0.9892190877439649
Energy: 1.008932044072246
Energy: 0.9892190877470447
Energy: 1.0578102603029436
Energy: 0.9892190877462748
Energy: 1.327574453727127
Energy: 1.3180013571781832
Energy: 1.312519524417433
Energy: 1.318001357178953
Energy: 1.327574453727127
Energy: 1.3180013571781832
Energy: 1.3231875134235076
Energy: 1.2028187832895705
Energy: 0.9975273242840264
Energy: 1.2028187832895705
Energy: 1.3231875134235076
Energy: 1.2028187832895705
Energy: 0.9943350827658087
Energy: 1.0043718388641076
Energy: 1.0129152254576916
Energy: 1.0043718388641076
Energy: 0.9943350827658087
Energy: 1.0043718388641076
Energy: 1.0066066967222584
Energy: 0.989203718336466
Energy: 1.3252615266009835
Energy: 0.9892037183356961
Energy: 1.0066066967230285
Energy: 0.989203718336466
Energy: 1.3134886302180113
Energy: 1.2401406912932673
Energy: 1.3254783675584116
Energy: 1.2401406912932673
Energy: 1.3134886302180113
Energy: 1.2401406912924973
Energy: 1.0133424710525303
Energy: 1.0034851010021053
Energy: 0.993722310377659
Energy: 1.0034851010021053
Energy: 1.0133424710525303
Energy: 1.0034851010021053
Energy: 0.9920886732920181
Energy: 1.006795468803944
Energy: 1.0094449527567801
Energy: 1.006795468803944
Energy: 0.9920886732920181
Energy: 1.006795468803944
Energy: 0.9937161762514793
Energy: 1.072507737295308
Energy: 1.4935185930510702
Energy: 1.072507737295308
Energy: 0.9937161762514793
Energy: 1.072507737295308
Energy: 1.3282062445265763
Energy: 1.3251004529759118
Energy: 1.3645641708684815
Energy: 1.3251004529813013
Energy: 1.3282062445273464
Energy: 1.3251004529782218
Energy: 0.9895674347429603
Energy: 1.005504938606694
Energy: 0.9991895898519183
Energy: 1.005504938606694
Energy: 0.9895674347429603
Energy: 1.005504938606694
Energy: 1.3129553321845375
Energy: 1.0558061343116987
Energy: 0.9907843239543778
Energy: 1.0558061343116987
Energy: 1.3129553321837677
Energy: 1.0558061343116987
Energy: 1.0086831964666292
Energy: 1.3124726743701036
Energy: 1.4789191136374675
Energy: 1.3124726743693336
Energy: 1.0086831964666292
Energy: 1.3124726743701036
Energy: 1.5165834926026598
Energy: 1.0015696575192947
Energy: 1.3438497214705434
Energy: 1.0015696575192947
Energy: 1.5165834926026598
Energy: 1.0015696575192947
Energy: 0.9914316054050383
Energy: 1.0038453674588048
Energy: 1.2642221488231808
Energy: 1.003845367458035
Energy: 0.9914316054050383
Energy: 1.003845367458035
Energy: 1.2485672519104563
Energy: 1.0035913810180366
Energy: 0.9909148438631967
Energy: 1.0035913810180366
Energy: 1.2485672519104563
Energy: 1.0035913810180366
Energy: 1.3231902375017988
Energy: 0.9905372633408407
Energy: 1.006724458552398
Energy: 0.9905372633500799
Energy: 1.3231902375025688
Energy: 0.9905372633400706
Energy: 1.4920965310755914
Energy: 1.2296002110657287
Energy: 1.010524135378047
Energy: 1.2296002110657287
Energy: 1.4920965310748213
Energy: 1.2296002110657287
Energy: 0.9917647774613388
Energy: 1.004291937798686
Energy: 1.3132940452110757
Energy: 1.004291937798686
Energy: 0.9917647774613388
Energy: 1.004291937798686
Energy: 1.011683438467212
Energy: 1.0068402049070453
Energy: 0.991225840364413
Energy: 1.0068402049070453
Energy: 1.011683438467212
Energy: 1.0068402049070453
Energy: 1.3681441789954396
Energy: 1.2323106698220574
Energy: 0.9889585867284896
Energy: 1.2323106698212873
Energy: 1.3681441789954396
Energy: 1.2323106698220574
Energy: 1.4938073361822881
Energy: 1.0714781931891748
Energy: 0.9913018761491003
Energy: 1.0714781931891748
Energy: 1.4938073361830582
Energy: 1.0714781931891748
Energy: 1.0099954468488226
Energy: 1.0073453037776814
Energy: 0.9942290124176328
Energy: 1.0073453037807614
Energy: 1.0099954468488226
Energy: 1.0073453037792213
Energy: 0.9944344500304961
Energy: 1.004994500420969
Energy: 1.3138828041169273
Energy: 1.004994500420969
Energy: 0.9944344500304961
Energy: 1.0049945004201992
Energy: 1.3278192981512769
Energy: 1.2266051158967353
Energy: 1.013994073981858
Energy: 1.2266051158967353
Energy: 1.3278192981520467
Energy: 1.2266051158967353
Energy: 1.3277348969707374
Energy: 0.9898379801769033
Energy: 1.004256739685097
Energy: 0.9898379801769033
Energy: 1.3277348969707374
Energy: 0.9898379801769033
Energy: 1.0068223292788439
Energy: 1.0036805628689185
Energy: 0.9920597163135714
Energy: 1.0036805628689185
Energy: 1.0068223292780738
Energy: 1.0036805628689185
Energy: 0.9942944819305886
Energy: 1.2038124977786038
Energy: 1.4935253473332573
Energy: 1.2038124977786038
Energy: 0.9942944819298185
Energy: 1.2038124977793736
Energy: 1.3126731186429368
Energy: 1.015259189063524
Energy: 1.3231971203630364
Energy: 1.0152591890627543
Energy: 1.3126731186429368
Energy: 1.015259189063524
Energy: 1.008337358091044
Energy: 1.169040889204765
Energy: 1.3757339557643617
Energy: 1.1690408892055346
Energy: 1.008337358091044
Energy: 1.169040889204765
Energy: 1.2650427547420893
Energy: 1.0550901811514122
Energy: 0.9917153298686837
Energy: 1.0550901811514122
Energy: 1.2650427547420893
Energy: 1.0550901811514122
Energy: 0.9889458599825467
Energy: 1.0051403823213851
Energy: 1.4211338395475954
Energy: 1.005140382320615
Energy: 0.9889458599825467
Energy: 1.005140382320615
Energy: 1.3285244087425587
Energy: 1.034805846345494
Energy: 1.3647024237037497
Energy: 1.034805846346264
Energy: 1.3285244087425587
Energy: 1.034805846346264
Energy: 0.9907618093259901
Energy: 1.2272153896144744
Energy: 1.494068343635153
Energy: 1.2272153896144744
Energy: 0.9907618093259901
Energy: 1.2272153896144744

minimum gb energy = 0.9889458599825467 eV
minimum distance =  2.17236885923003 Angstroms
sigma value = 41


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

Energy: 0.8527023386596372
Energy: 0.8216403643928997
Energy: 1.4942725279957465
Energy: 0.8216403643928997
Energy: 0.8527023386596372
Energy: 0.8216403643928997
Energy: 1.5239095197491845
Energy: 0.8204364502885313
Energy: 0.8221941358401456
Energy: 0.8204364502864292
Energy: 1.5239095197491845
Energy: 0.8204364502885313
Energy: 0.853925090841665
Energy: 1.031027369820588
Energy: 1.1434057729456566
Energy: 1.031027369820588
Energy: 0.853925090841665
Energy: 1.031027369820588
Energy: 1.5535160743977547
Energy: 0.8205487895418104
Energy: 0.8225375429787878
Energy: 0.8205487895418104
Energy: 1.5535160743977547
Energy: 0.8205487895418104
Energy: 0.8536964206782692
Energy: 0.8205480938047058
Energy: 0.8238548459790057
Energy: 0.8205480938047058
Energy: 0.8536964206782692
Energy: 0.8205480938047058
Energy: 0.8527240770756122
Energy: 0.866619801704571
Energy: 0.8230621774335258
Energy: 0.866619801704571
Energy: 0.8527240770756122
Energy: 0.866619801704571
Energy: 1.5585689591850636
Energy: 0.8206086573252459
Energy: 0.8231959575694576
Energy: 0.8206086573231437
Energy: 1.5585689591850636
Energy: 0.8206086573252459
Energy: 0.8519774478526629
Energy: 0.8207769039064744
Energy: 0.823813803909589
Energy: 0.8207769039064744
Energy: 0.8519774478526629
Energy: 0.8207769039064744
Energy: 1.487364853349747
Energy: 0.8662930910039238
Energy: 0.8226261286394927
Energy: 0.8662930910039238
Energy: 1.487364853349747
Energy: 0.8662930910039238
Energy: 0.8534329319249668
Energy: 0.8209136364410231
Energy: 0.8249736002977492
Energy: 0.8209136364410231
Energy: 0.8534329319249668
Energy: 0.8209136364410231
Energy: 1.492974040852604
Energy: 0.8205438405835771
Energy: 0.8224421786281152
Energy: 0.8205438405835771
Energy: 1.492974040852604
Energy: 0.8205438405835771
Energy: 0.8533710196988691
Energy: 1.0310773787642675
Energy: 1.4839562146974086
Energy: 1.0310773787642675
Energy: 0.8533710196988691
Energy: 1.0310773787642675
Energy: 1.4929103923599878
Energy: 0.8207690541791713
Energy: 0.8224337693155902
Energy: 0.8207690541791713
Energy: 1.4929103923599878
Energy: 0.8207690541791713
Energy: 0.8534348182977319
Energy: 0.820865027179007
Energy: 0.824982909379796
Energy: 0.8208650271769049
Energy: 0.8534348182977319
Energy: 0.8208650271769049

minimum gb energy = 0.8204364502864292 eV
minimum distance =  2.34335947866166 Angstroms
sigma value = 11


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

Energy: 1.1297075212299577
Energy: 1.1087613032094428
Energy: 1.4645979406254273
Energy: 1.108761303210366
Energy: 1.1297075212299577
Energy: 1.108761303210366
Energy: 1.0973010975884323
Energy: 1.1152547315253643
Energy: 1.0961318411222059
Energy: 1.1152547315244408
Energy: 1.0973010975884323
Energy: 1.1152547315253643
Energy: 1.0969306608266256
Energy: 1.1488936693306124
Energy: 1.0965544942133634
Energy: 1.1488936693296892
Energy: 1.0969306608266256
Energy: 1.1488936693306124
Energy: 1.1149563626800338
Energy: 1.1166835476028556
Energy: 1.0960508120248627
Energy: 1.1166835476028556
Energy: 1.1149563626800338
Energy: 1.1166835476028556
Energy: 1.0966651664480227
Energy: 1.1893469354112869
Energy: 1.114953607439419
Energy: 1.1893469354103636
Energy: 1.0966651664480227
Energy: 1.1893469354112869
Energy: 1.1347337341562111
Energy: 1.184370935342144
Energy: 1.0961574914393235
Energy: 1.184370935342144
Energy: 1.1347337341562111
Energy: 1.184370935342144
Energy: 1.1150347551622584
Energy: 1.1882264242949123
Energy: 1.1302719828817054
Energy: 1.1882264242958358
Energy: 1.1150347551622584
Energy: 1.1882264242958358
Energy: 1.0975514187093744
Energy: 1.1177029943282235
Energy: 1.09617416094282
Energy: 1.1177029943282235
Energy: 1.0975514187093744
Energy: 1.1177029943282235
Energy: 1.097980222200607
Energy: 1.190096814996997
Energy: 1.0957415269716135
Energy: 1.190096814996997
Energy: 1.097980222200607
Energy: 1.190096814996997
Energy: 1.095593517197811
Energy: 1.1151785150327063
Energy: 1.1156139890035328
Energy: 1.1151785150327063
Energy: 1.095593517197811
Energy: 1.1151785150327063
Energy: 1.107307130543545
Energy: 1.095916958575067
Energy: 1.1324575085560888
Energy: 1.095916958575067
Energy: 1.107307130543545
Energy: 1.095916958575067
Energy: 1.097773178800906
Energy: 1.1841379950836035
Energy: 1.13199438757928
Energy: 1.1841379950836035
Energy: 1.097773178800906
Energy: 1.1841379950836035
Energy: 1.0961630023553228
Energy: 1.1152519630479303
Energy: 1.1497797997541863
Energy: 1.1152519630479303
Energy: 1.0961630023553228
Energy: 1.1152519630479303
Energy: 1.1164041278134622
Energy: 1.1933913818045858
Energy: 1.11603178283345
Energy: 1.1933913818045858
Energy: 1.1164041278134622
Energy: 1.1933913818036836
Energy: 1.095726396034835
Energy: 1.480062974357347
Energy: 1.0993556222131857
Energy: 1.480062974357347
Energy: 1.095726396034835
Energy: 1.480062974357347
Energy: 1.1177635530366339
Energy: 1.4320556055484714
Energy: 1.1301104547763008
Energy: 1.4320556055484714
Energy: 1.1177635530366339
Energy: 1.4320556055484714
Energy: 1.1304081289232204
Energy: 1.1889609229002465
Energy: 1.0971927012804026
Energy: 1.1889609229011697
Energy: 1.1304081289232204
Energy: 1.1889609229011697
Energy: 1.096052758257829
Energy: 1.4260741363720488
Energy: 1.0958846022503355
Energy: 1.4260741363720488
Energy: 1.096052758257829
Energy: 1.4260741363720488
Energy: 1.115104629164074
Energy: 1.1152565905005576
Energy: 1.1156804443611332
Energy: 1.1152565905005576
Energy: 1.1151046291631506
Energy: 1.1152565905005576
Energy: 1.0959003938214935
Energy: 1.1152541506617317
Energy: 1.0989379422383432
Energy: 1.1152541506626552
Energy: 1.0959003938214935
Energy: 1.1152541506617317
Energy: 1.1315864389215802
Energy: 1.1836735151454012
Energy: 1.0971134278843224
Energy: 1.1836735151454012
Energy: 1.1315864389215802
Energy: 1.1836735151454012
Energy: 1.132350196941476
Energy: 1.0998530777818951
Energy: 1.1160658830820165
Energy: 1.0998530777818951
Energy: 1.132350196941476
Energy: 1.0998530777828186
Energy: 1.2622209674517013
Energy: 1.2094764007925427
Energy: 1.1469400051840286
Energy: 1.2094764007925427
Energy: 1.2622209674517013
Energy: 1.2094764007925427
Energy: 1.09577959249968
Energy: 1.1897833887853515
Energy: 1.0971874470931107
Energy: 1.1897833887853515
Energy: 1.09577959249968
Energy: 1.1897833887853515
Energy: 1.0992015425004826
Energy: 1.1168763601600724
Energy: 1.0967150618003292
Energy: 1.1168763601600724
Energy: 1.0992015425004826
Energy: 1.1168763601600724
Energy: 1.1306342046083513
Energy: 1.1887658977888174
Energy: 1.1149291016112473
Energy: 1.1887658977888174
Energy: 1.1306342046083513
Energy: 1.1887658977888174
Energy: 1.0963994242390873
Energy: 1.184055596549881
Energy: 1.0967721950430538
Energy: 1.1840555965508044
Energy: 1.0963994242381638
Energy: 1.184055596549881
Energy: 1.1149768142752559
Energy: 1.1888218553151575
Energy: 1.1346479273360612
Energy: 1.188821855316081
Energy: 1.1149768142752559
Energy: 1.188821855316081
Energy: 1.0967180501381468
Energy: 1.1156680855128247
Energy: 1.11498316924323
Energy: 1.1156680855128247
Energy: 1.0967180501381468
Energy: 1.1156680855128247
Energy: 1.0962138203340672
Energy: 1.1159046039727532
Energy: 1.0978105778690743
Energy: 1.1159046039727532
Energy: 1.096213820333144
Energy: 1.1159046039736766
Energy: 1.0958030165513073
Energy: 1.115320243176407
Energy: 1.098002364506551
Energy: 1.1153202431754836
Energy: 1.095803016550384
Energy: 1.115320243176407

minimum gb energy = 1.095593517197811 eV
minimum distance =  2.21203570618152 Angstroms
sigma value = 57


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

Energy: 1.2411499597079971
Energy: 1.2448397224863683
Energy: 1.2540196198390967
Energy: 1.2448397224863683
Energy: 1.2411499597079971
Energy: 1.2448397224863683
Energy: 1.1902808197269812
Energy: 1.23338081852321
Energy: 1.1776576284065052
Energy: 1.2333808185248534
Energy: 1.1902808197269812
Energy: 1.23338081852321
Energy: 1.1783772078838224
Energy: 1.2876493870908206
Energy: 1.1778701298626635
Energy: 1.2876493870908206
Energy: 1.1783772078838224
Energy: 1.2876493870908206
Energy: 1.1778602355693908
Energy: 1.2440139496049691
Energy: 1.1778543191456479
Energy: 1.2440139496049691
Energy: 1.1778602355693908
Energy: 1.2440139496115423
Energy: 1.1778716912939713
Energy: 1.2876507284052252
Energy: 1.178046575326316
Energy: 1.2876507284052252
Energy: 1.1778716912939713
Energy: 1.2876507284052252
Energy: 1.177654410521978
Energy: 1.1790432642936384
Energy: 1.1902291985006828
Energy: 1.1790432642936384
Energy: 1.177654410521978
Energy: 1.1790432642952817
Energy: 1.2540196198390967
Energy: 1.2448397224863683
Energy: 1.2411499597079971
Energy: 1.2448397224863683
Energy: 1.2540196198390967
Energy: 1.2448397224863683
Energy: 1.1776576284065052
Energy: 1.279034004713214
Energy: 1.1902808197269812
Energy: 1.279034004713214
Energy: 1.1776576284065052
Energy: 1.279034004713214
Energy: 1.1778701298626635
Energy: 1.2876493870908206
Energy: 1.1783772078838224
Energy: 1.2876493870908206
Energy: 1.1778701298626635
Energy: 1.2876493870908206
Energy: 1.1778543191456479
Energy: 1.2429856568913358
Energy: 1.1778602355693908
Energy: 1.2429856568913358
Energy: 1.1778543191456479
Energy: 1.2429856568896926
Energy: 1.178046575326316
Energy: 1.2876507284052252
Energy: 1.1778716912939713
Energy: 1.2876507284052252
Energy: 1.178046575326316
Energy: 1.2876507284052252
Energy: 1.1902291985006828
Energy: 1.1790432642952817
Energy: 1.177654410521978
Energy: 1.1790432642936384
Energy: 1.1902291985006828
Energy: 1.1790432642936384
Energy: 1.2411499597079971
Energy: 1.2448397224863683
Energy: 1.4068417932284902
Energy: 1.2448397224863683
Energy: 1.2411499597079971
Energy: 1.2448397224863683
Energy: 1.1902808197269812
Energy: 1.1790247386753425
Energy: 1.1776576284065052
Energy: 1.1790247386753425
Energy: 1.1902808197269812
Energy: 1.1790247386753425
Energy: 1.1783772078838224
Energy: 1.2876493870908206
Energy: 1.1778701298626635
Energy: 1.2876493870908206
Energy: 1.1783772078838224
Energy: 1.2876493870908206
Energy: 1.1778602355693908
Energy: 1.2429856568962658
Energy: 1.1778543191456479
Energy: 1.2429856568962658
Energy: 1.1778602355693908
Energy: 1.2429856568979092
Energy: 1.1778716912939713
Energy: 1.2876507284052252
Energy: 1.178046575326316
Energy: 1.2876507284052252
Energy: 1.1778716912939713
Energy: 1.2876507284052252

minimum gb energy = 1.177654410521978 eV
minimum distance =  2.22900910096828 Angstroms
sigma value = 9


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

Energy: 1.2890938342712792
Energy: 1.2654946819303017
Energy: 1.3093553039826544
Energy: 1.2654946819303017
Energy: 1.2890938342712792
Energy: 1.2654946819303017
Energy: 1.257264571245623
Energy: 1.416513777112869
Energy: 1.263905364836628
Energy: 1.416513777114211
Energy: 1.257264571245623
Energy: 1.416513777112869
Energy: 1.2692839103483673
Energy: 1.2863181352571158
Energy: 1.2660146461474306
Energy: 1.2863181352597994
Energy: 1.2692839103483673
Energy: 1.2863181352571158
Energy: 1.2695373016401186
Energy: 1.2739257593590285
Energy: 1.254251965012189
Energy: 1.2739257593590285
Energy: 1.2695373016401186
Energy: 1.2739257593590285
Energy: 1.2550997766285295
Energy: 1.3583146099684662
Energy: 1.266413845852949
Energy: 1.3583146099684662
Energy: 1.2550997766285295
Energy: 1.3583146099684662
Energy: 1.2695062158201957
Energy: 1.2729873852620017
Energy: 1.3050183207280734
Energy: 1.2729873852620017
Energy: 1.2695062158201957
Energy: 1.2729873852620017
Energy: 1.2708869747086278
Energy: 1.4163216681061201
Energy: 1.2662535681717453
Energy: 1.4163216681061201
Energy: 1.2708869747086278
Energy: 1.4163216681061201
Energy: 1.2739245585263923
Energy: 1.320487817014639
Energy: 1.2638973342897788
Energy: 1.320487817014639
Energy: 1.2739245585263923
Energy: 1.320487817014639
Energy: 1.2373969709062709
Energy: 1.414722513364633
Energy: 1.2424504563816727
Energy: 1.414722513364633
Energy: 1.2373969709062709
Energy: 1.4147225133632915
Energy: 1.313862786907097
Energy: 1.5217119557979066
Energy: 1.2645078216205181
Energy: 1.5217119557965648
Energy: 1.313862786907097
Energy: 1.5217119557965648
Energy: 1.2714195904007977
Energy: 1.3186682807962453
Energy: 1.252085733626835
Energy: 1.3186682807962453
Energy: 1.2714195904007977
Energy: 1.3186682807962453
Energy: 1.268970621422611
Energy: 1.2739813008087943
Energy: 1.2692579990028319
Energy: 1.2739813008087943
Energy: 1.268970621422611
Energy: 1.2739813008087943
Energy: 1.271082185894251
Energy: 1.2703739955346933
Energy: 1.2647781135227225
Energy: 1.2703739955346933
Energy: 1.271082185894251
Energy: 1.2703739955346933
Energy: 1.2693259544915947
Energy: 1.2710269413662625
Energy: 1.2421413510559456
Energy: 1.2710269413662625
Energy: 1.2693259544915947
Energy: 1.2710269413662625
Energy: 1.3093501559350502
Energy: 1.4155601074374953
Energy: 1.2789034198893305
Energy: 1.4155601074374953
Energy: 1.3093501559350502
Energy: 1.4155601074374953
Energy: 1.271847275145895
Energy: 1.4213407463358516
Energy: 1.255224519982679
Energy: 1.4213407463358516
Energy: 1.271847275145895
Energy: 1.4213407463358516
Energy: 1.2717800339407987
Energy: 1.3153130710502117
Energy: 1.2642460275612917
Energy: 1.3153130710502117
Energy: 1.2717800339407987
Energy: 1.3153130710502117
Energy: 1.3234631749701877
Energy: 1.4158152904623862
Energy: 1.2646902166129814
Energy: 1.4158152904623862
Energy: 1.3234631749701877
Energy: 1.415815290463728
Energy: 1.2720459137737408
Energy: 1.2714484225231248
Energy: 1.2860472875313107
Energy: 1.2714484225244667
Energy: 1.2720459137737408
Energy: 1.2714484225231248
Energy: 1.2694214282525984
Energy: 1.3984957757852055
Energy: 1.2646848716560768
Energy: 1.3984957757852055
Energy: 1.2694214282525984
Energy: 1.3984957757852055
Energy: 1.2717775268166545
Energy: 1.2717807130241188
Energy: 1.2558576046710843
Energy: 1.2717807130241188
Energy: 1.2717775268166545
Energy: 1.2717807130241188

minimum gb energy = 1.2373969709062709 eV
minimum distance =  2.22224533342009 Angstroms
sigma value = 27


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

Energy: 1.4191457595032642
Energy: 1.2799735277305084
Energy: 1.3270069630956836
Energy: 1.2799735277293776
Energy: 1.419145759504395
Energy: 1.2799735277293776
Energy: 1.2758707059010936
Energy: 1.233130174717697
Energy: 1.2687111995501492
Energy: 1.233130174717697
Energy: 1.2758707059010936
Energy: 1.233130174717697
Energy: 1.248753344829182
Energy: 1.249509431809377
Energy: 1.2688361822277487
Energy: 1.249509431809377
Energy: 1.248753344829182
Energy: 1.249509431809377
Energy: 1.2868646821494474
Energy: 1.4457014596800248
Energy: 1.2623015936663224
Energy: 1.4457014596800248
Energy: 1.2868646821494474
Energy: 1.445701459678894
Energy: 1.2383113756458337
Energy: 1.4459877695878305
Energy: 1.2375834334212759
Energy: 1.4459877695878305
Energy: 1.2383113756447028
Energy: 1.4459877695878305
Energy: 1.2779993725687906
Energy: 1.270395381640529
Energy: 1.2705865507009573
Energy: 1.270395381640529
Energy: 1.2779993725687906
Energy: 1.270395381640529
Energy: 1.2534831405622693
Energy: 1.3962005956900574
Energy: 1.281827891191888
Energy: 1.3962005956911883
Energy: 1.2534831405622693
Energy: 1.3962005956900574
Energy: 1.2568719306800125
Energy: 1.3085976670886965
Energy: 1.2818961072598598
Energy: 1.3085976670886965
Energy: 1.2568719306800125
Energy: 1.3085976670886965
Energy: 1.350231956326135
Energy: 1.4102025393967488
Energy: 1.3271134836412406
Energy: 1.4102025393967488
Energy: 1.350231956326135
Energy: 1.4102025393967488
Energy: 1.256742539896906
Energy: 1.257475538069576
Energy: 1.2887876429493155
Energy: 1.257475538069576
Energy: 1.2567425398957748
Energy: 1.257475538069576
Energy: 1.2570731393599406
Energy: 1.2373538618204383
Energy: 1.2886796211190599
Energy: 1.2373538618193072
Energy: 1.2570731393599406
Energy: 1.2373538618204383
Energy: 1.350358816400414
Energy: 1.4592860595359285
Energy: 1.2837734653862323
Energy: 1.4592860595347974
Energy: 1.350358816400414
Energy: 1.4592860595359285
Energy: 1.2573015708063253
Energy: 1.370680021400823
Energy: 1.2818865323752813
Energy: 1.370680021399692
Energy: 1.2573015708063253
Energy: 1.370680021399692
Energy: 1.2399086242395738
Energy: 1.3850243845274592
Energy: 1.2834114877487341
Energy: 1.3850243845274592
Energy: 1.2399086242395738
Energy: 1.3850243845274592
Energy: 1.2856543537848861
Energy: 1.277792490155388
Energy: 1.2708783743989847
Energy: 1.277792490155388
Energy: 1.2856543537848861
Energy: 1.277792490155388
Energy: 1.2403303833972703
Energy: 1.4459877695866994
Energy: 1.237497705626178
Energy: 1.4459877695866994
Energy: 1.2403303833972703
Energy: 1.4459877695866994
Energy: 1.2868995468215227
Energy: 1.398378372480952
Energy: 1.232910983044633
Energy: 1.398378372480952
Energy: 1.2868995468215227
Energy: 1.398378372480952
Energy: 1.2486911564201106
Energy: 1.2505429075137624
Energy: 1.2686091473116474
Energy: 1.2505429075126313
Energy: 1.2486911564201106
Energy: 1.2505429075126313
Energy: 1.2793196044958468
Energy: 1.247338125602585
Energy: 1.2687990136029874
Energy: 1.247338125602585
Energy: 1.2793196044958468
Energy: 1.2473381256014542
Energy: 1.419145759504395
Energy: 1.2799735277293776
Energy: 1.3270069630956836
Energy: 1.2799735277293776
Energy: 1.4191457595032642
Energy: 1.2799735277293776
Energy: 1.2758707059010936
Energy: 1.233130174717697
Energy: 1.2687111995512803
Energy: 1.233130174717697
Energy: 1.2758707059010936
Energy: 1.233130174717697
Energy: 1.248753344829182
Energy: 1.2495094318082456
Energy: 1.2688361822277487
Energy: 1.2495094318082456
Energy: 1.248753344829182
Energy: 1.2495094318082456
Energy: 1.2868646821494474
Energy: 1.4457014596800248
Energy: 1.2623015936674535
Energy: 1.4457014596800248
Energy: 1.2868646821494474
Energy: 1.4457014596800248
Energy: 1.2383113756447028
Energy: 1.4459877695878305
Energy: 1.2375834334212759
Energy: 1.4459877695878305
Energy: 1.2383113756458337
Energy: 1.4459877695878305
Energy: 1.2779993725687906
Energy: 1.270395381640529
Energy: 1.2705865507009573
Energy: 1.270395381640529
Energy: 1.2779993725687906
Energy: 1.270395381640529

minimum gb energy = 1.232910983044633 eV
minimum distance =  2.22545269647082 Angstroms
sigma value = 19


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

Energy: 1.37077661365717
Energy: 1.209470939528057
Energy: 1.256689254198357
Energy: 1.209470939528057
Energy: 1.37077661365717
Energy: 1.209470939528057
Energy: 1.2179886771777888
Energy: 1.2311785073683978
Energy: 1.194200040466439
Energy: 1.2311785073683978
Energy: 1.2179886771777888
Energy: 1.2311785073674217
Energy: 1.2033552126530647
Energy: 1.219124905513987
Energy: 1.1942393789541625
Energy: 1.2191249055149633
Energy: 1.2033552126530647
Energy: 1.219124905513987
Energy: 1.2179437723516315
Energy: 1.4090418047490498
Energy: 1.2318952492409854
Energy: 1.4090418047490498
Energy: 1.2179437723516315
Energy: 1.4090418047490498
Energy: 1.2181522091224568
Energy: 1.326551359707562
Energy: 1.2374990231335163
Energy: 1.326551359707562
Energy: 1.2181522091224568
Energy: 1.326551359707562
Energy: 1.2050327161267265
Energy: 1.351641988020197
Energy: 1.2258445949557963
Energy: 1.351641988020197
Energy: 1.2050327161267265
Energy: 1.351641988020197
Energy: 1.2180858976119329
Energy: 1.4111263689322802
Energy: 1.2365981352630497
Energy: 1.4111263689322802
Energy: 1.2180858976109565
Energy: 1.4111263689322802
Energy: 1.2185629069139399
Energy: 1.3513938641830847
Energy: 1.2258663471476454
Energy: 1.3513938641830847
Energy: 1.2185629069139399
Energy: 1.3513938641830847
Energy: 1.2181892491263724
Energy: 1.3898700493138867
Energy: 1.2387203729181566
Energy: 1.3898700493138867
Energy: 1.2181892491263724
Energy: 1.3898700493138867
Energy: 1.2186561867084995
Energy: 1.2819053126294737
Energy: 1.194139240959522
Energy: 1.2819053126294737
Energy: 1.2186561867084995
Energy: 1.2819053126294737
Energy: 1.2273699640356106
Energy: 1.3873116973094861
Energy: 1.233708445272437
Energy: 1.3873116973094861
Energy: 1.2273699640356106
Energy: 1.3873116973094861
Energy: 1.2394402161146787
Energy: 1.1951979271175088
Energy: 1.1944761847315892
Energy: 1.1951979271175088
Energy: 1.239440216115655
Energy: 1.1951979271175088
Energy: 1.23929299139286
Energy: 1.1945064261134921
Energy: 1.1953258783430412
Energy: 1.1945064261134921
Energy: 1.23929299139286
Energy: 1.1945064261134921
Energy: 1.2045270239957837
Energy: 1.3873034909816928
Energy: 1.2627585154191103
Energy: 1.3873034909816928
Energy: 1.2045270239957837
Energy: 1.3873034909816928
Energy: 1.2366944667641364
Energy: 1.3905387970516043
Energy: 1.1954643014059665
Energy: 1.3905387970516043
Energy: 1.2366944667641364
Energy: 1.3905387970516043
Energy: 1.235725355306964
Energy: 1.3507971375795995
Energy: 1.1964517597400206
Energy: 1.3507971375795995
Energy: 1.2357253553059877
Energy: 1.3507971375795995
Energy: 1.2024914876090027
Energy: 1.3506775936998565
Energy: 1.1956963595441688
Energy: 1.3506775936998565
Energy: 1.2024914876090027
Energy: 1.3506775936998565
Energy: 1.23571191265163
Energy: 1.2641485434544308
Energy: 1.1944297718950645
Energy: 1.2641485434554072
Energy: 1.23571191265163
Energy: 1.2641485434554072
Energy: 1.2024772382428557
Energy: 1.3506735889239423
Energy: 1.1956931613795077
Energy: 1.3506735889239423
Energy: 1.2024772382428557
Energy: 1.3506735889239423
Energy: 1.2357152931397655
Energy: 1.3507956066102234
Energy: 1.1964792285183132
Energy: 1.3507956066102234
Energy: 1.2357152931397655
Energy: 1.3507956066102234
Energy: 1.236705324392427
Energy: 1.3905509512471577
Energy: 1.1954614243650374
Energy: 1.3905509512471577
Energy: 1.236705324392427
Energy: 1.3905509512471577
Energy: 1.2046174321761758
Energy: 1.3872833746893658
Energy: 1.262757447191967
Energy: 1.3872833746893658
Energy: 1.2046174321761758
Energy: 1.3872833746893658
Energy: 1.2392925271722113
Energy: 1.1945282716003318
Energy: 1.195374497459456
Energy: 1.1945282716003318
Energy: 1.239292527171235
Energy: 1.1945282715993555
Energy: 1.2395060216973497
Energy: 1.1951799183354814
Energy: 1.1944674522600707
Energy: 1.1951799183354814
Energy: 1.2395060216973497
Energy: 1.1951799183354814
Energy: 1.2273784682538778
Energy: 1.3873065938508755
Energy: 1.2336965747296302
Energy: 1.3873065938508755
Energy: 1.2273784682529014
Energy: 1.3873065938508755
Energy: 1.2187431807775364
Energy: 1.2818714948578063
Energy: 1.1941312767792527
Energy: 1.2818714948578063
Energy: 1.2187431807775364
Energy: 1.2818714948578063
Energy: 1.2183431506723328
Energy: 1.3898626325588823
Energy: 1.237961068379759
Energy: 1.3898626325588823
Energy: 1.2183431506713567
Energy: 1.3898626325588823
Energy: 1.2185755057358785
Energy: 1.3513942784397868
Energy: 1.225875142646937
Energy: 1.3513942784397868
Energy: 1.2185755057368546
Energy: 1.3513942784397868
Energy: 1.2180347001765308
Energy: 1.4111263689322802
Energy: 1.236595295940019
Energy: 1.411126368931304
Energy: 1.2180347001765308
Energy: 1.411126368931304

minimum gb energy = 1.1941312767792527 eV
minimum distance =  2.2103347133636 Angstroms
sigma value = 101


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

Energy: 1.335800855799403
Energy: 1.250719166999054
Energy: 1.217628078880506
Energy: 1.250719166999054
Energy: 1.335800855799403
Energy: 1.250719166998196
Energy: 1.1917251091702155
Energy: 1.1721981034637696
Energy: 1.1893359142265971
Energy: 1.1721981034637696
Energy: 1.1917251091702155
Energy: 1.1721981034637696
Energy: 1.1661162600589585
Energy: 1.1596902073906237
Energy: 1.190219228473473
Energy: 1.1596902073906237
Energy: 1.1661162600589585
Energy: 1.1596902073906237
Energy: 1.1900460554890702
Energy: 1.2628588144032058
Energy: 1.184387724954969
Energy: 1.2628588144032058
Energy: 1.1900460554890702
Energy: 1.2628588144032058
Energy: 1.1599976015696996
Energy: 1.244997519778761
Energy: 1.1671511263295027
Energy: 1.244997519778761
Energy: 1.1599976015696996
Energy: 1.244997519778761
Energy: 1.1662528295066399
Energy: 1.3473529465305816
Energy: 1.1607393899972027
Energy: 1.3473529465314398
Energy: 1.1662528295066399
Energy: 1.3473529465305816
Energy: 1.166963154717289
Energy: 1.3849552994342191
Energy: 1.1598735783094596
Energy: 1.3849552994342191
Energy: 1.166963154717289
Energy: 1.3849552994342191
Energy: 1.165409937502497
Energy: 1.3432603275713577
Energy: 1.1655531065750007
Energy: 1.3432603275713577
Energy: 1.165409937502497
Energy: 1.3432603275713577
Energy: 1.1598459710285909
Energy: 1.3474730060068
Energy: 1.1663872900785506
Energy: 1.347473006005942
Energy: 1.1598459710285909
Energy: 1.3474730060068
Energy: 1.1591643271263152
Energy: 1.2670821268538115
Energy: 1.1595788516600556
Energy: 1.2670821268546697
Energy: 1.1591643271263152
Energy: 1.2670821268546697
Energy: 1.184428668205752
Energy: 1.3388987207621983
Energy: 1.2369995909315308
Energy: 1.3388987207621983
Energy: 1.184428668205752
Energy: 1.3388987207621983
Energy: 1.189295495031674
Energy: 1.1598493018801928
Energy: 1.1605094145815082
Energy: 1.1598493018793345
Energy: 1.189295495031674
Energy: 1.1598493018801928
Energy: 1.1903255570066797
Energy: 1.3686230457382629
Energy: 1.1593592086472038
Energy: 1.3686230457382629
Energy: 1.1903255570066797
Energy: 1.3686230457382629
Energy: 1.1822214949201277
Energy: 1.2032844304658759
Energy: 1.1899860302812864
Energy: 1.2032844304658759
Energy: 1.1822214949201277
Energy: 1.2032844304658759
Energy: 1.1724741908436636
Energy: 1.2529773697237985
Energy: 1.1891901735054027
Energy: 1.2529773697237985
Energy: 1.1724741908436636
Energy: 1.2529773697237985
Energy: 1.2146072154070222
Energy: 1.1604770126310775
Energy: 1.1656351368334819
Energy: 1.1604770126310775
Energy: 1.2146072154078802
Energy: 1.1604770126310775
Energy: 1.1597859947018174
Energy: 1.1796561886185177
Energy: 1.1603499191837845
Energy: 1.1796561886185177
Energy: 1.1597859947018174
Energy: 1.1796561886176593
Energy: 1.1674543375227442
Energy: 1.1665001052710084
Energy: 1.159272888784704
Energy: 1.1665001052710084
Energy: 1.1674543375227442
Energy: 1.1665001052710084
Energy: 1.172506515386903
Energy: 1.3421315698631957
Energy: 1.1656583050879934
Energy: 1.3421315698631957
Energy: 1.172506515387761
Energy: 1.3421315698631957
Energy: 1.159603011331329
Energy: 1.2088307794224356
Energy: 1.1591044161402464
Energy: 1.2088307794224356
Energy: 1.159603011331329
Energy: 1.2088307794224356
Energy: 1.1800113436233153
Energy: 1.180310964814831
Energy: 1.1659114234583352
Energy: 1.180310964813973
Energy: 1.1800113436233153
Energy: 1.180310964813973
Energy: 1.1606176841334033
Energy: 1.3447377231985385
Energy: 1.1591258602863104
Energy: 1.3447377231985385
Energy: 1.1606176841334033
Energy: 1.3447377231985385
Energy: 1.1658937485199472
Energy: 1.345565192243337
Energy: 1.1597228613424198
Energy: 1.345565192243337
Energy: 1.1658937485199472
Energy: 1.345565192243337
Energy: 1.1900411969517228
Energy: 1.3325291110969393
Energy: 1.2069848714846647
Energy: 1.3325291110969393
Energy: 1.1900411969508646
Energy: 1.3325291110969393
Energy: 1.15987635700594
Energy: 1.244252675348672
Energy: 1.17247925373348
Energy: 1.244252675348672
Energy: 1.15987635700594
Energy: 1.244252675348672
Energy: 1.1756387437836924
Energy: 1.1601279129785065
Energy: 1.2146758723077824
Energy: 1.1601279129785065
Energy: 1.1756387437836924
Energy: 1.1601279129776483
Energy: 1.1895676285868984
Energy: 1.1596783485244364
Energy: 1.1595039214588243
Energy: 1.1596783485244364
Energy: 1.1895676285868984
Energy: 1.1596783485244364
Energy: 1.189092013181422
Energy: 1.1595747194810897
Energy: 1.1614961167098876
Energy: 1.159574719481948
Energy: 1.189092013181422
Energy: 1.1595747194810897
Energy: 1.2186071109099708
Energy: 1.160439922772004
Energy: 1.2646136858231323
Energy: 1.160439922772004
Energy: 1.2186071109099708
Energy: 1.160439922772004
Energy: 1.1592217739254178
Energy: 1.160716053325199
Energy: 1.1614181987245036
Energy: 1.160716053325199
Energy: 1.1592217739254178
Energy: 1.1607160533260572
Energy: 1.1595749706246368
Energy: 1.1813271921612163
Energy: 1.1654785713028641
Energy: 1.1813271921612163
Energy: 1.1595749706246368
Energy: 1.1813271921612163
Energy: 1.175611401839927
Energy: 1.3452459186831502
Energy: 1.160923691235741
Energy: 1.3452459186831502
Energy: 1.175611401839927
Energy: 1.3452459186831502
Energy: 1.159788528896074
Energy: 1.2065650105737569
Energy: 1.1662827929194157
Energy: 1.2065650105728984
Energy: 1.159788528896074
Energy: 1.2065650105737569

minimum gb energy = 1.1591044161402464 eV
minimum distance =  2.23406760057487 Angstroms
sigma value = 33


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

Energy: 0.015080964423238627
Energy: 0.01597475509521712
Energy: 1.3858378800160078
Energy: 0.015974755095890567
Energy: 0.015080964423238627
Energy: 0.01597475509521712
Energy: 0.015668386848012437
Energy: 0.6827346014500348
Energy: 0.015668386848012437
Energy: 0.6827346014500348
Energy: 0.015668386848012437
Energy: 0.6827346014500348
Energy: 1.3858378800167208
Energy: 0.01597475509521712
Energy: 0.015080964423238627
Energy: 0.01597475509521712
Energy: 1.3858378800160078
Energy: 0.015974755095890567
Energy: 0.015668386848012437
Energy: 0.6827346014500348
Energy: 0.015668386848012437
Energy: 0.6827346014500348
Energy: 0.015668386848012437
Energy: 0.6827346014500348

minimum gb energy = 0.015080964423238627 eV
minimum distance =  2.44793695412449 Angstroms
sigma value = 1