Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432836367695
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: 0.016431937114769563
Energy: 1.213725732048045
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 1.2137257320477308
Energy: 0.092566968955098
Energy: 1.2137257320477308
Energy: 0.092566968955098
Energy: 1.2137257320477308
Energy: 0.6708186914633136
Energy: 0.016431937114769563
Energy: 1.213725732048045
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 1.2137257320477308
Energy: 0.09256696895478371
Energy: 1.2137257320477308
Energy: 0.092566968955098
Energy: 1.2137257320477308
Energy: 0.9177337380985512
Energy: 0.016431937114769563
Energy: 1.213725732048045
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 0.016431937114769563
Energy: 1.2137257320477308
Energy: 1.2137257320477308
Energy: 0.6708186914639422
Energy: 1.2137257320477308
Energy: 0.9177337380982368
Energy: 1.2137257320477308
Energy: 1.1068026796620367

minimum gb energy = 0.016431937114769563 eV
minimum distance =  2.34132458966041 Angstroms
sigma value = 1


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

Energy: 1.1961039572879997
Energy: 1.0230143537848073
Energy: 1.1961039572879997
Energy: 1.0230143537855638
Energy: 1.1961039572879997
Energy: 1.0230143537855638
Energy: 1.3587710229686072
Energy: 0.9246976903741545
Energy: 1.3587710229655812
Energy: 0.924697690373398
Energy: 1.3587710229648247
Energy: 0.924697690373398
Energy: 1.1312969678595362
Energy: 1.076871457157823
Energy: 1.1312969678595362
Energy: 1.0768714571812756
Energy: 1.1312969678595362
Energy: 1.0768714567026014
Energy: 1.1950711866176085
Energy: 1.0029093069630075
Energy: 1.1950711866191213
Energy: 1.002909306963764
Energy: 1.1950711866160955
Energy: 1.002909306963764
Energy: 1.0790399251728908
Energy: 1.1389324333199324
Energy: 1.079039925173647
Energy: 1.1389324333199324
Energy: 1.0790399251728908
Energy: 1.1389324333206887
Energy: 1.1142545865527507
Energy: 0.9915741094324815
Energy: 1.1142545865535072
Energy: 0.991574109431725
Energy: 1.1142545865519942
Energy: 0.991574109431725
Energy: 1.0716884062001573
Energy: 1.1451180127290372
Energy: 1.0716884061963745
Energy: 1.1451180127290372
Energy: 1.0716884061903222
Energy: 1.1451180127260112
Energy: 1.004452774550658
Energy: 1.2403809336054687
Energy: 1.0044527745499012
Energy: 1.240380933604712
Energy: 1.0044527745514142
Energy: 1.2403809336069818
Energy: 1.1389114331707095
Energy: 1.146752694300734
Energy: 1.1389114331684398
Energy: 1.1467526943014905
Energy: 1.1389114331684398
Energy: 1.146752694302247
Energy: 0.9218178975484922
Energy: 1.2257268471271558
Energy: 0.9218178975477357
Energy: 1.2257270934558862
Energy: 0.9218178975484922
Energy: 1.2257270105170428
Energy: 1.2824933863244645
Energy: 0.9985688137311531
Energy: 1.2824933863244645
Energy: 0.9985688137311531
Energy: 1.2824933863259775
Energy: 0.9985688137319096
Energy: 0.8733761537721646
Energy: 1.1495208594653774
Energy: 0.8733761537721646
Energy: 1.1495208057487036
Energy: 0.8733761537721646
Energy: 1.1495206484310334
Energy: 1.2341707611169268
Energy: 0.860940836873034
Energy: 1.2341707611176833
Energy: 0.860940836873034
Energy: 1.2341707611199528
Energy: 0.860940836873034
Energy: 1.0034257243756026
Energy: 1.085377225449368
Energy: 1.0034257243756026
Energy: 1.0853772253964802
Energy: 1.0034257243756026
Energy: 1.0853772252958622
Energy: 1.3123753978212236
Energy: 0.9259246806059321
Energy: 1.3123753988640594
Energy: 0.9259246806044191
Energy: 1.312375398457943
Energy: 0.9259246806044191
Energy: 1.3230106340900347
Energy: 1.1329115232865965
Energy: 1.3230106340892784
Energy: 1.1329115232858398
Energy: 1.3230106340900347
Energy: 1.1329115232850833
Energy: 1.130750824147986
Energy: 1.0838000588085837
Energy: 1.1307508241472295
Energy: 1.0838000588100967
Energy: 1.1307508241457165
Energy: 1.083800058807827
Energy: 1.1289786203099368
Energy: 1.02344970893288
Energy: 1.1289786203084236
Energy: 1.0234497089321233
Energy: 1.1289786203069105
Energy: 1.023449708931367
Energy: 0.9241402633829271
Energy: 1.0025573744122482
Energy: 0.9241402633829271
Energy: 1.0025573743698826
Energy: 0.9241402633836836
Energy: 1.0025573743169947
Energy: 1.1005665372174516
Energy: 0.9909956128000831
Energy: 1.1005665372174516
Energy: 0.9909956128000831
Energy: 1.1005665372174516
Energy: 0.9909956127993265
Energy: 0.9417072519074376
Energy: 1.2167519139776395
Energy: 0.9417072519074376
Energy: 1.2167519139746135
Energy: 0.9417072519074376
Energy: 1.2167519139761265
Energy: 1.1404750706318152
Energy: 1.1522378070701016
Energy: 1.1404750706318152
Energy: 1.1522378070708583
Energy: 1.1404750706340847
Energy: 1.1522378070701016
Energy: 0.8567420047256408
Energy: 1.4281773085310132
Energy: 0.8567420047256408
Energy: 1.4281773085295002
Energy: 0.8567420047256408
Energy: 1.4281773085295002

minimum gb energy = 0.8567420047256408 eV
minimum distance =  2.33861306961647 Angstroms
sigma value = 33


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

Energy: 1.339642031402077
Energy: 1.1995559585635482
Energy: 1.313785138784461
Energy: 1.1995559585635482
Energy: 1.339642031401216
Energy: 1.1995559585631177
Energy: 1.2982102259821107
Energy: 1.0386063941322052
Energy: 1.2981440575603922
Energy: 1.0386063941330657
Energy: -0.04102270548268906
Energy: 1.038606394133496
Energy: 0.9729590429474008
Energy: 1.0499342252207364
Energy: 0.9729590429482614
Energy: 1.049934225199221
Energy: 0.9729590429482614
Energy: 1.0499342251730113
Energy: 1.2168530974174865
Energy: 1.0977366795248842
Energy: 1.2168530974170562
Energy: 1.0977366819980654
Energy: 1.2168530974192078
Energy: 1.0977366279864655
Energy: 1.1169893978370822
Energy: 1.0953528066113902
Energy: 1.1169893978370822
Energy: 1.0953528066144023
Energy: 1.1169893978357912
Energy: 1.0953528066100993
Energy: 1.0153905163528563
Energy: -0.26002547400949366
Energy: 1.015390516352426
Energy: -0.2607791443107163
Energy: 1.0153905163519958
Energy: -0.2532888164944846
Energy: 1.2295001552872928
Energy: 0.7409132542395618
Energy: 1.2302205409085003
Energy: 0.7410678994994045
Energy: 1.229499511530205
Energy: 0.7398878194962872
Energy: 0.8986175985049568
Energy: 1.3243321298818271
Energy: 0.8984716460195897
Energy: 1.3243321302504456
Energy: 0.8986175985045655
Energy: 1.3243321302293996
Energy: 1.0861872935906174
Energy: 0.9767688635473611
Energy: 1.086187293587175
Energy: 0.9767688635465004
Energy: 1.086187293588466
Energy: 0.9767688635460701
Energy: 0.9329973374636302
Energy: 1.2658509551962955
Energy: 0.9330028859246745
Energy: 1.2658485239074138
Energy: 0.9329973374653514
Energy: 1.2658450298680715
Energy: 1.1990623446817394
Energy: 0.9358616636066199
Energy: 0.6512062508893918
Energy: 0.9358616636019257
Energy: 0.6880924413452902
Energy: 0.9358616636023561
Energy: 0.9746522701856992
Energy: 1.0059380490271155
Energy: 0.9746530069828632
Energy: 1.0059380490284067
Energy: 0.9746522701844081
Energy: 1.005938049026255
Energy: 0.6437925477979661
Energy: 0.9151513443720396
Energy: 0.7256572924044783
Energy: 0.9151513443724699
Energy: 0.72559992778141
Energy: 0.9151513443729002
Energy: 1.1933900644119384
Energy: 1.229361327549987
Energy: 1.1933900644115079
Energy: 1.2293613275491264
Energy: 1.1933900644106472
Energy: 1.2293613275504172
Energy: 1.156760660298553
Energy: 1.0376105425243678
Energy: 1.1567606602968317
Energy: 1.0376105425247981
Energy: 1.1567606602976925
Energy: 1.0376105425243678
Energy: 0.9724905627483185
Energy: 1.037325832451485
Energy: 0.9724905627465972
Energy: 1.0373258324476122
Energy: 0.9724905627483185
Energy: 1.0373258324489032
Energy: 1.2970194155670953
Energy: 1.0987574252735526
Energy: 1.2970194155683863
Energy: 1.0987574252735526
Energy: 1.2970194155696773
Energy: 1.0987574252752736
Energy: 1.1403563972277624
Energy: 0.5346358064022066
Energy: 1.1403563972264714
Energy: 0.5346360824832798
Energy: 1.1403563972286228
Energy: 0.5346348990465264
Energy: 1.0027545760857097
Energy: 1.0189079659278522
Energy: 1.0027545760835581
Energy: 1.0189079659257005
Energy: 1.0027545760822671
Energy: 1.0189079659274218
Energy: 1.1942878412826083
Energy: 1.2563828049727617
Energy: 1.1942878412821778
Energy: 1.2563828049727617
Energy: 1.194287841286481
Energy: 1.2563828049727617
Energy: 0.8726220921523495
Energy: 0.667988444729251
Energy: 0.8726220921540707
Energy: 0.6680337532573699
Energy: 0.8726220921523495
Energy: 0.6679216409368534
Energy: 0.7830686085562796
Energy: 0.9770119354083986
Energy: 0.46868119319345974
Energy: 0.9770119354066774
Energy: 0.7820848118334411
Energy: 0.9770119354066774
Energy: 0.9347328366379344
Energy: 1.2878775060944294
Energy: 0.9347689833759999
Energy: 1.2878775060914174
Energy: 0.9347328366387951
Energy: 1.2878775060884053
Energy: 1.2007370882731307
Energy: 1.1160417635348419
Energy: 1.2007370882765729
Energy: 1.1160417635335507
Energy: 1.2007370882774335
Energy: 1.1160417635331206
Energy: 0.973434286726796
Energy: 1.0352960883617537
Energy: 0.9729497815153147
Energy: 1.0352960883492748
Energy: 0.9734342867285173
Energy: 1.0352960883385562
Energy: 1.3090184374097484
Energy: 1.203859531456584
Energy: 1.2583728397241132
Energy: 1.2038595314587357
Energy: 1.309018437406306
Energy: 1.2038595314587357
Energy: 1.310207831958966
Energy: 1.224352398572226
Energy: 1.2544284383145619
Energy: 1.2243523985730864
Energy: 1.310207831623912
Energy: 1.2243523985730864
Energy: 0.9733371276564138
Energy: 1.0882084301248096
Energy: 0.9733371276581351
Energy: 1.0882084301209367
Energy: 0.9733371276581351
Energy: 1.088208430121367
Energy: 1.2745914719735492
Energy: 1.0385813381534996
Energy: 1.2745914719739795
Energy: 1.038581338152639
Energy: 1.2745914719731188
Energy: 1.038581338152639
Energy: 0.9347367100571873
Energy: 0.4464751922564861
Energy: 0.9347367100558964
Energy: 0.2834940245143386
Energy: 0.9347367100546053
Energy: 0.25004601904468593
Energy: 1.173329985298862
Energy: 0.9769329889998825
Energy: 1.1733299103607107
Energy: 0.9769329890003128
Energy: 1.1733297379423602
Energy: 0.9769329889998825
Energy: 0.9134036480223511
Energy: 0.6696070960532948
Energy: 0.9134036480223511
Energy: 0.6693468813283342
Energy: 0.9134036480232118
Energy: 0.5474276242787792
Energy: 1.238089174346626
Energy: 1.015816015203045
Energy: 1.2361408579747768
Energy: 1.0158084034860946
Energy: 1.2380891743470561
Energy: 1.0158213770531317
Energy: 1.0386829062117844
Energy: 1.156745578492205
Energy: 1.0386829062109237
Energy: 1.1567455784900535
Energy: 1.0386829062092027
Energy: 1.1567455784913445
Energy: 1.0476153990688892
Energy: 0.9729496391664857
Energy: 1.0476153990697499
Energy: 0.9729496391660554
Energy: 1.0476153990701804
Energy: 0.9729496391660554
Energy: 1.0986557615656416
Energy: 1.1729922694609525
Energy: 1.0986557616396155
Energy: 1.1729922694635344
Energy: 1.0986557614718733
Energy: 1.1729922694631039
Energy: 0.9727161247210623
Energy: 1.1153336278648491
Energy: 0.9725979414692221
Energy: 1.1153336278626975
Energy: 0.972716124720632
Energy: 1.1153336278540915
Energy: 1.0195775637464204
Energy: 1.000976350357921
Energy: 1.01957756374556
Energy: 1.000976350359212
Energy: 1.0195775637477114
Energy: 1.0009763503596423
Energy: 1.193452989513094
Energy: 1.1941802023571157
Energy: 1.193452989513094
Energy: 1.1941802012345177
Energy: 1.1934529895126638
Energy: 1.1941801992692969
Energy: 1.2679700217518137
Energy: 0.8728159714033502
Energy: 1.2679700158437106
Energy: 0.8728159714050714
Energy: 1.2679700160419658
Energy: 0.8728159714050714
Energy: 0.9745770919998968
Energy: 0.928921110362739
Energy: 0.9745770920003272
Energy: 0.9289211103635997
Energy: 0.9745770920011879
Energy: 0.9289211103631694

minimum gb energy = -0.2607791443107163 eV
minimum distance =  2.37326853652489 Angstroms
sigma value = 51


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

Energy: 1.13868524066374
Energy: 1.1193204041084142
Energy: 1.13868524066374
Energy: 1.119320404107417
Energy: 1.13868524066374
Energy: 1.119320404107417
Energy: 1.1737743326018109
Energy: 1.0031342479160454
Energy: 1.1737748869337754
Energy: 1.0031342479160454
Energy: 1.1737740101653618
Energy: 1.0031342479160454
Energy: 1.0637747613045416
Energy: 0.5547860513967202
Energy: 1.0637747613035446
Energy: 1.0578415884053884
Energy: 1.0637747613035446
Energy: 0.5552619611548585
Energy: 1.0781496625316187
Energy: 0.8879794345279445
Energy: 1.078149662532616
Energy: 0.8879794345279445
Energy: 1.0781496625316187
Energy: 0.8879794345279445
Energy: 1.1151054164361582
Energy: 1.0869322788813962
Energy: 1.1151054164371552
Energy: 1.0869322788803992
Energy: 1.1151054164361582
Energy: 1.0869322788803992
Energy: 1.1433709643600856
Energy: 1.086998807352452
Energy: 1.1433709643590886
Energy: 1.0869988073514547
Energy: 1.1433709643600856
Energy: 1.0869988073494607
Energy: 1.0326506749545525
Energy: 1.0874070542429832
Energy: 1.0326498829071071
Energy: 1.0874070542429832
Energy: 1.0326478340027305
Energy: 1.0874070542419865
Energy: 0.9900698805047953
Energy: 1.0874496489364913
Energy: 0.9900698805047953
Energy: 1.0874496482737455
Energy: 0.9900698805047953
Energy: 1.0874496471685493
Energy: 1.2561604283325176
Energy: 0.8839478938704858
Energy: 1.2561604281590815
Energy: 0.8839478938704858
Energy: 1.2561604274206526
Energy: 0.8839478938704858
Energy: 0.9154666559466007
Energy: 1.2771741330767676
Energy: 0.9154666559466007
Energy: 1.2771741330757704
Energy: 0.9154666559456036
Energy: 1.2771741330767676
Energy: 1.2543969062220583
Energy: 0.8914902150302978
Energy: 1.2543969054826325
Energy: 0.8914902150302978
Energy: 1.2543969026892103
Energy: 0.8914902150302978
Energy: 1.1347409461147608
Energy: 1.1209681855312676
Energy: 1.1347409461147608
Energy: 1.1209681855312676
Energy: 1.1347409461137639
Energy: 1.1209681855312676
Energy: 1.325435686462012
Energy: 1.0049509555153155
Energy: 1.3254356864610148
Energy: 1.0049509555153155
Energy: 1.325435686462012
Energy: 1.0049509555153155
Energy: 1.0635377508619905
Energy: 1.0189111567321363
Energy: 1.0635377508619905
Energy: 1.0189111567331333
Energy: 1.0635377508619905
Energy: 1.0189111567331333
Energy: 1.0988275242614611
Energy: 1.1204625582766607
Energy: 1.0988275242614611
Energy: 1.1204625582766607
Energy: 1.0988275242614611
Energy: 1.1204625582766607
Energy: 1.1389597938663307
Energy: 1.086900906192208
Energy: 1.1389597938653335
Energy: 1.0869009061912112
Energy: 1.1389597938653335
Energy: 1.0869009061912112
Energy: 1.1144789126518078
Energy: 1.2099401789565944
Energy: 1.1144789126518078
Energy: 1.2099401789555972
Energy: 1.1144789126518078
Energy: 1.2099401789536033
Energy: 1.0334672181051248
Energy: 1.0885371686457859
Energy: 1.033467218106122
Energy: 1.0885371686457859
Energy: 1.033467218107119
Energy: 1.0885371686457859

minimum gb energy = 0.5547860513967202 eV
minimum distance =  2.30223302898306 Angstroms
sigma value = 19


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

Energy: 0.8698463080205742
Energy: 0.849342913911204
Energy: 0.8698463080205742
Energy: 0.8493429139100211
Energy: 0.8698463080205742
Energy: 0.8493429139106126
Energy: 0.9515172897760235
Energy: 1.1320801738463209
Energy: 0.9515172897760235
Energy: 1.132080173845138
Energy: 0.9515172897748406
Energy: 1.1320801738457296
Energy: 0.803798664397467
Energy: 1.1298707888513542
Energy: 0.803798664397467
Energy: 1.1298707888507629
Energy: 0.803798664397467
Energy: 1.1298707888519455
Energy: 0.9093243712793987
Energy: 0.8040242206265702
Energy: 0.9093243712799901
Energy: 0.8040242206259788
Energy: 0.9093243712799901
Energy: 0.8040242206265702
Energy: 0.8450498011864747
Energy: 0.8658715639149442
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052682342
Energy: 0.8659378073120361
Energy: 0.9096536372060885
Energy: 0.8040253529929429
Energy: 0.9096536372054971
Energy: 0.8040253529935341
Energy: 0.9096536372060885
Energy: 0.8040253529935341
Energy: 0.8037807213795639
Energy: 1.129834484460667
Energy: 0.8037807213795639
Energy: 1.1298344844618498
Energy: 0.8037807213795639
Energy: 1.1298344844612582
Energy: 0.9504077393026925
Energy: 1.1321048272889442
Energy: 0.950407739302101
Energy: 1.1321048272895358
Energy: 0.9504077393009182
Energy: 1.1321048272889442
Energy: 0.8698463080205742
Energy: 0.8493429139106126
Energy: 0.8698463080205742
Energy: 0.8493429139100211
Energy: 0.8698463080211654
Energy: 0.8493429139106126
Energy: 0.951517289775432
Energy: 1.1320801738457296
Energy: 0.9515172897748406
Energy: 1.1320801738457296
Energy: 0.9515172897748406
Energy: 1.1320801738457296
Energy: 0.803798664397467
Energy: 1.1298707888513542
Energy: 0.8037986643968756
Energy: 1.1298707888519455
Energy: 0.803798664397467
Energy: 1.1298707888519455
Energy: 0.9093243712793987
Energy: 0.8040242206265702
Energy: 0.9093243712788072
Energy: 0.8040242206265702
Energy: 0.9093243712793987
Energy: 0.8040242206259788
Energy: 0.8450498011858832
Energy: 0.8658715639143527
Energy: 0.8450498011858832
Energy: 0.8658715639143527
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052682342
Energy: 0.8659378073126275
Energy: 0.9096536372060885
Energy: 0.8040253529935341
Energy: 0.9096536372060885
Energy: 0.8040253529935341
Energy: 0.9096536372060885
Energy: 0.8040253529929429
Energy: 0.8037807213801553
Energy: 1.1298344844612582
Energy: 0.8037807213795639
Energy: 1.129834484460667
Energy: 0.8037807213795639
Energy: 1.1298344844612582
Energy: 0.9504077393026925
Energy: 1.1321048272889442
Energy: 0.9504077393026925
Energy: 1.1321048272895358
Energy: 0.9504077393015096
Energy: 1.1321048272883532
Energy: 0.8698463080211654
Energy: 0.849342913911204
Energy: 0.8698463080205742
Energy: 0.8493429139106126
Energy: 0.8698463080205742
Energy: 0.8493429139106126
Energy: 0.951517289775432
Energy: 1.1320801738463209
Energy: 0.9515172897748406
Energy: 1.132080173845138
Energy: 0.9515172897760235
Energy: 1.1320801738463209
Energy: 0.803798664397467
Energy: 1.1298707888507629
Energy: 0.803798664397467
Energy: 1.1298707888519455
Energy: 0.8037986643968756
Energy: 1.1298707888519455
Energy: 0.9093243712799901
Energy: 0.8040242206265702
Energy: 0.9093243712799901
Energy: 0.8040242206265702
Energy: 0.9093243712799901
Energy: 0.8040242206265702
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450498011858832
Energy: 0.8658715639149442
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.8450754052688256
Energy: 0.8659378073120361
Energy: 0.9096536372049058
Energy: 0.8040253529929429
Energy: 0.9096536372049058
Energy: 0.8040253529929429
Energy: 0.9096536372054971
Energy: 0.8040253529935341
Energy: 0.8037807213795639
Energy: 1.1298344844624413
Energy: 0.8037807213795639
Energy: 1.129834484460667
Energy: 0.8037807213801553
Energy: 1.1298344844612582
Energy: 0.950407739302101
Energy: 1.1321048272889442
Energy: 0.9504077393026925
Energy: 1.1321048272889442
Energy: 0.9504077393026925
Energy: 1.1321048272889442
Energy: 0.8698463080205742
Energy: 0.8493429139106126
Energy: 0.8698463080211654
Energy: 0.8493429139106126
Energy: 0.8698463080211654
Energy: 0.849342913911204
Energy: 0.9515172897748406
Energy: 1.1320801738457296
Energy: 0.951517289775432
Energy: 1.1320801738463209
Energy: 0.951517289775432
Energy: 1.1320801738457296
Energy: 0.803798664397467
Energy: 1.1298707888513542
Energy: 0.803798664397467
Energy: 1.1298707888519455
Energy: 0.803798664397467
Energy: 1.1298707888519455

minimum gb energy = 0.8037807213795639 eV
minimum distance =  2.32153178354499 Angstroms
sigma value = 27


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

Energy: 0.8478925752380645
Energy: 0.8114715081552929
Energy: 0.8478925752395131
Energy: 0.8114715081552929
Energy: 0.8478925752395131
Energy: 0.8114715081552929
Energy: 1.002757426277997
Energy: 0.8348491002210592
Energy: 1.002757426600911
Energy: 0.8348491002210592
Energy: 1.0027574263258021
Energy: 0.8348491002196105
Energy: 0.8329681913430667
Energy: 0.955335000643286
Energy: 0.8329681912576301
Energy: 0.9553350006403888
Energy: 0.832968191309748
Energy: 0.9553350006403888
Energy: 1.0064097188555714
Energy: 0.789037346160406
Energy: 1.0064097188555714
Energy: 0.7890373461589574
Energy: 1.0064097188541228
Energy: 0.789037346160406
Energy: 1.0037273502722792
Energy: 0.7889494992302827
Energy: 1.0037273502737278
Energy: 0.7889494992302827
Energy: 1.0037273502737278
Energy: 0.7889494992317312
Energy: 1.0215305209276786
Energy: 1.0772135913282126
Energy: 1.02153052092623
Energy: 1.0772135913282126
Energy: 1.02153052092623
Energy: 1.0772135913282126
Energy: 0.9543172705974425
Energy: 0.8379159480625528
Energy: 0.9543172705974425
Energy: 0.8379159480625528
Energy: 0.9543172705974425
Energy: 0.8379159480625528
Energy: 0.8406282234639485
Energy: 0.8139290085971502
Energy: 0.8406282234639485
Energy: 0.8139290085971502
Energy: 0.8406282234653971
Energy: 0.8139290085971502
Energy: 1.0045946223450035
Energy: 0.832492454096648
Energy: 1.0045946223435547
Energy: 0.832492453957612
Energy: 1.004594622334863
Energy: 0.8324924540213519
Energy: 0.9901550915112277
Energy: 1.026523209493626
Energy: 0.9901550915112277
Energy: 1.0265232094921772
Energy: 0.9901550915112277
Energy: 1.0265232094950747
Energy: 0.8323993015445856
Energy: 0.7904293610327512
Energy: 0.8323993015445856
Energy: 0.7904293610327512
Energy: 0.8323993015445856
Energy: 0.7904293610327512
Energy: 1.1200999899822006
Energy: 0.9839018936699621
Energy: 1.1200999899822006
Energy: 0.9839018936685134
Energy: 1.1200999899822006
Energy: 0.9839018936685134

minimum gb energy = 0.7889494992302827 eV
minimum distance =  2.29673112970402 Angstroms
sigma value = 9


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

Energy: 0.944840765778653
Energy: 0.8285700901451617
Energy: 0.9448407657774319
Energy: 0.8285700901439407
Energy: 0.944840765778653
Energy: 0.8285700901443477
Energy: 0.8206486504494326
Energy: 0.7218917078775209
Energy: 0.8206486504518749
Energy: 0.721891707877928
Energy: 0.8206486504319302
Energy: 0.7218917078775209
Energy: 0.7110150656447092
Energy: 0.8252603762269752
Energy: 0.7110150656455233
Energy: 0.825260376226161
Energy: 0.7110150656438952
Energy: 0.8252603762286032
Energy: 0.7629876773955792
Energy: 0.728609047634226
Energy: 0.7629876773955792
Energy: 0.728609047634226
Energy: 0.7629876773955792
Energy: 0.7286090476334119
Energy: 0.8171488081791146
Energy: 0.7812011521622924
Energy: 0.8171488081799286
Energy: 0.7812011521622924
Energy: 0.8171488081799286
Energy: 0.7812011521622924
Energy: 0.8499353343695072
Energy: 0.8238028635273105
Energy: 0.8499353343654368
Energy: 0.8238028629206855
Energy: 0.8499353343259547
Energy: 0.8238028614279529
Energy: 0.8177866853130519
Energy: 0.8371817917037014
Energy: 0.8177866853110537
Energy: 0.8371817917041084
Energy: 0.8177866853098326
Energy: 0.8371817917037014
Energy: 0.7101827692555422
Energy: 0.8191308735617169
Energy: 0.7101827692551352
Energy: 0.819130873560903
Energy: 0.7101827692547282
Energy: 0.8191308735613099
Energy: 0.786394609340731
Energy: 0.7814604667192118
Energy: 0.7863946825865005
Energy: 0.7814604667192118
Energy: 0.7863947248859581
Energy: 0.7814604667192118
Energy: 0.784182769592783
Energy: 0.853413611290756
Energy: 0.7841827694414412
Energy: 0.8534136113749746
Energy: 0.784182769180645
Energy: 0.8534136111931054
Energy: 0.7601457013639055
Energy: 0.7372001656785143
Energy: 0.7601457013793727
Energy: 0.7372001656781073
Energy: 0.7601457013797798
Energy: 0.7372001656785143
Energy: 0.75173964578974
Energy: 0.8237860242600715
Energy: 0.75173964578974
Energy: 0.8237860242560013
Energy: 0.751739645790147
Energy: 0.8237860242621068
Energy: 0.48025540008184764
Energy: 0.811472294067798
Energy: 0.4420934579014869
Energy: 0.8114722940637277
Energy: 0.6388064100491037
Energy: 0.8114722940608784
Energy: 0.9291809494220056
Energy: 0.6539523733658742
Energy: 0.9291809494142721
Energy: 0.6573812477079749
Energy: 0.9291809493572876
Energy: 0.6555769820695061
Energy: 0.7348300948461356
Energy: 0.801833954201224
Energy: 0.7348300948449145
Energy: 0.801833954201224
Energy: 0.7348300948453216
Energy: 0.8018339542016311
Energy: 0.8769596970897944
Energy: 0.9103288308422247
Energy: 0.8769150344877189
Energy: 0.9103288308291996
Energy: 0.6431601245436044
Energy: 0.9103288308296066
Energy: 0.968653758500198
Energy: 0.7292271553889974
Energy: 0.968653758500605
Energy: 0.7292271553889974
Energy: 0.968653758501012
Energy: 0.7292271553861482
Energy: 0.7508694908646971
Energy: 0.7436282817032743
Energy: 0.7508694908642901
Energy: 0.7436282817036813
Energy: 0.7508694908655112
Energy: 0.7436282817032743
Energy: 0.7122438959239809
Energy: 1.0331022486740862
Energy: 0.712243895924388
Energy: 1.0331022486736787
Energy: 0.712243895924795
Energy: 1.0331022486712367
Energy: 0.9060564131754721
Energy: 0.7230533466035861
Energy: 0.9060564131771001
Energy: 0.723053346603179
Energy: 0.9060564131779143
Energy: 0.7676137093901791
Energy: 0.712274852581351
Energy: 1.0326844483628337
Energy: 0.712274852581351
Energy: 1.0326844483620197
Energy: 0.712274852581351
Energy: 1.0326844483624265
Energy: 0.750966282549645
Energy: 0.7437663017038707
Energy: 0.7509662825484239
Energy: 0.7437663017042777
Energy: 0.7509662825484239
Energy: 0.7437663017038707
Energy: 0.9681916870746519
Energy: 0.7291960525842891
Energy: 0.9681916870746519
Energy: 0.7291960525842891
Energy: 0.9681916870754659
Energy: 0.7291960525863243
Energy: 0.8771056495411156
Energy: 0.9103249682997471
Energy: 0.8771045266039305
Energy: 0.9103249683013752
Energy: 0.8770962623631116
Energy: 0.9103249682968979
Energy: 0.7347032788729064
Energy: 0.8019399594369174
Energy: 0.7347032788720923
Energy: 0.8019399594365104
Energy: 0.7347032788724994
Energy: 0.8019399594361034
Energy: 0.929258517535953
Energy: 0.8077368758754014
Energy: 0.9292585175282193
Energy: 0.8077368758762155
Energy: 0.9292585175074606
Energy: 0.8077368758766225
Energy: 0.9446923738163653
Energy: 0.8113583295385378
Energy: 0.9446858479872681
Energy: 0.8113583295389448
Energy: 0.944658228270773
Energy: 0.8113583295340974
Energy: 0.7518697819314434
Energy: 0.8235680498258502
Energy: 0.7518697819314434
Energy: 0.8235680498018352
Energy: 0.7518697819310364
Energy: 0.8235680498046845
Energy: 0.7601878696042214
Energy: 0.7372068008841648
Energy: 0.7601878696042214
Energy: 0.7372068008841648
Energy: 0.7601878696042214
Energy: 0.7372068008837577
Energy: 0.7842018978207528
Energy: 0.7181648425218873
Energy: 0.7842018980310771
Energy: 0.7246922619849243
Energy: 0.7842018981152956
Energy: 0.7251653334871735
Energy: 0.7862399975215774
Energy: 0.7818367107844909
Energy: 0.7862399352534485
Energy: 0.7818367107828628
Energy: 0.7862398070315572
Energy: 0.7818367107824558
Energy: 0.7102047523142158
Energy: 0.8192878924173806
Energy: 0.7102047523138088
Energy: 0.8192878924173806
Energy: 0.7102047523142158
Energy: 0.8192878924177879
Energy: 0.8179901902204666
Energy: 0.8373307436973163
Energy: 0.8179901901944167
Energy: 0.8373307436981304
Energy: 0.8179901901696247
Energy: 0.8373307436973163
Energy: 0.8501159351689656
Energy: 0.8237860387813287
Energy: 0.8501159351710007
Energy: 0.8237860388830497
Energy: 0.8501159351783273
Energy: 0.8237860368451537
Energy: 0.817068703466596
Energy: 0.7812612873289683
Energy: 0.817068703467003
Energy: 0.7812612873285613
Energy: 0.817068703466189
Energy: 0.7812612873297823
Energy: 0.7628006632848607
Energy: 0.7286060677757555
Energy: 0.7628006632840468
Energy: 0.7286060677761627
Energy: 0.7628006632840468
Energy: 0.7286060677757555
Energy: 0.7108880130254525
Energy: 0.8254176534601914
Energy: 0.7108880130250455
Energy: 0.8254176534573421
Energy: 0.7108880130254525
Energy: 0.8254176534569351
Energy: 0.8197370695053453
Energy: 0.7222315882830913
Energy: 0.8197370695069736
Energy: 0.7222315882818703
Energy: 0.8197370695240319
Energy: 0.7222315882826843
Energy: 0.944840765778653
Energy: 0.8285700901423125
Energy: 0.9448407657770249
Energy: 0.8285700901427195
Energy: 0.9448407657782459
Energy: 0.8285700901423125
Energy: 0.820648650442513
Energy: 0.7623882067692774
Energy: 0.820648650442106
Energy: 0.7623882067688704
Energy: 0.8206486504298951
Energy: 0.7623882067688704
Energy: 0.7110150656451163
Energy: 0.825260376225347
Energy: 0.7110150656451163
Energy: 0.8252603762286032
Energy: 0.7110150656443022
Energy: 0.8252603762294174
Energy: 0.7629876773968002
Energy: 0.728609047633819
Energy: 0.7629876773968002
Energy: 0.728609047633819
Energy: 0.7629876773963932
Energy: 0.728609047633819
Energy: 0.8171488081787075
Energy: 0.7812011521622924
Energy: 0.8171488081795216
Energy: 0.7812011521614783
Energy: 0.8171488081783005
Energy: 0.7812011521618853

minimum gb energy = 0.4420934579014869 eV
minimum distance =  2.35342166104578 Angstroms
sigma value = 57


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

Energy: 0.7856144608840862
Energy: 0.607867840030994
Energy: 0.38948850589821576
Energy: 0.6078678400319205
Energy: 0.7856144608850129
Energy: 0.6078678400319205
Energy: 0.021506263194151158
Energy: 0.6332660845488763
Energy: 0.021506269216856486
Energy: 0.5542196319530732
Energy: 0.021506314679157278
Energy: 0.6332660845498028
Energy: 0.48896560229925673
Energy: 0.42229238714770373
Energy: 0.4889656022974036
Energy: 0.20545514362810424
Energy: 0.48896560229184427
Energy: 0.4222923869115597
Energy: 0.5989781778391833
Energy: 0.49420280404085215
Energy: 0.5989781778401099
Energy: 0.38944170572412445
Energy: 0.5989781778382568
Energy: 0.49420280404085215
Energy: 0.34996671773641275
Energy: -0.17635989319692225
Energy: 0.34996671773733934
Energy: -0.17635923990200553
Energy: 0.34996671773733934
Energy: -0.17635930713416048
Energy: 0.33313098208862607
Energy: 0.4783501704352163
Energy: 0.3331309820876995
Energy: 0.4783501703685468
Energy: 0.33313098208862607
Energy: 0.47835017037039995
Energy: 0.3334450630125914
Energy: 0.3296851073423139
Energy: 0.3334450630125914
Energy: 0.32968510734324036
Energy: 0.3334450630125914
Energy: 0.3296851073423139
Energy: -0.1010065151116967
Energy: 0.35387085536833285
Energy: -0.10100651515705555
Energy: 0.35387085536833285
Energy: -0.10100651523021091
Energy: 0.3538708553701859
Energy: 0.6009486573410988
Energy: 0.3894279069569382
Energy: 0.6009486573438786
Energy: 0.49352083120215356
Energy: 0.6009486573420255
Energy: 0.3894279069578648
Energy: 0.32921601772480763
Energy: 0.5158755410917184
Energy: 0.32921601772388104
Energy: 0.5158755410602157
Energy: 0.32921601772388104
Energy: 0.515875541053772
Energy: 0.3544022098108296
Energy: 0.5457876704425343
Energy: 0.35440220980897646
Energy: 0.5457876704416078
Energy: 0.35440220980805
Energy: 0.5457876704406811
Energy: 0.7856144608850129
Energy: 0.607867840030994
Energy: 0.38948850589821576
Energy: 0.6078678400319205
Energy: 0.7856144608859393
Energy: 0.607867840030994
Energy: 0.021506254212464337
Energy: 0.6332660845479497
Energy: 0.021506275030203484
Energy: 0.5542196319901352
Energy: 0.021506280974194127
Energy: 0.6332660845479497
Energy: 0.4889656022983302
Energy: 0.42229238709863864
Energy: 0.48896560229647706
Energy: 0.20545514362254494
Energy: 0.4889656022983302
Energy: 0.42229238664576596
Energy: 0.5989781778401099
Energy: 0.49420280404085215
Energy: 0.5989781778401099
Energy: 0.389441705725051
Energy: 0.5989781778391833
Energy: 0.49420280404085215
Energy: 0.3499667177354862
Energy: -0.17635970211864324
Energy: 0.3499667177354862
Energy: -0.17636008809549578
Energy: 0.34996671773641275
Energy: -0.1763589283246823
Energy: 0.33313098208955255
Energy: 0.47835017044077566
Energy: 0.3331309820867729
Energy: 0.4783501702435046
Energy: 0.33313098208862607
Energy: 0.47835017044262873
Energy: 0.33344506301351795
Energy: 0.32968510734324036
Energy: 0.3334450630125914
Energy: 0.32968510734324036
Energy: 0.3334450630125914
Energy: 0.32968510734324036
Energy: -0.1010065150792674
Energy: 0.35387085536833285
Energy: -0.10100651532745664
Energy: 0.35387085536925944
Energy: -0.10100651519411756
Energy: 0.35387085536925944

minimum gb energy = -0.17636008809549578 eV
minimum distance =  2.44137269004189 Angstroms
sigma value = 11


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

Energy: 0.586786432100714
Energy: 0.7844393295556055
Energy: 0.586786432100714
Energy: 0.7844393295556055
Energy: 0.5867864321000352
Energy: 0.7844393295549268
Energy: 0.7767352535980666
Energy: 0.32517669836212293
Energy: 0.7767352535987453
Energy: 0.3252196670194804
Energy: 0.7767352535980666
Energy: 0.32533070049672164
Energy: 0.7695200536023056
Energy: 1.1837844552086558
Energy: 0.7695200536016269
Energy: 1.1837844552086558
Energy: 0.7695200536056992
Energy: 1.1837844552093344
Energy: 0.8110804217404403
Energy: 0.0958539323183518
Energy: 0.8110804217384042
Energy: 0.09551540611217572
Energy: 0.8110804217295807
Energy: 0.09326619178245436
Energy: 0.7590771119562307
Energy: 0.528397198172942
Energy: 0.7590771119548733
Energy: 0.5283971981749781
Energy: 0.7590771119562307
Energy: 0.5283971981742994
Energy: 0.6856030673169322
Energy: 0.3798481370230644
Energy: 0.6856030673162536
Energy: 0.3796677150431966
Energy: 0.6856030673176109
Energy: 0.3793283147761655
Energy: 0.09900493289300613
Energy: 0.9986288616956653
Energy: 0.1221610429122798
Energy: 0.9986288616956653
Energy: 0.1234960393624645
Energy: 0.9986288616970227
Energy: 0.8400976530520481
Energy: -0.2893256366169354
Energy: 0.8400976530513695
Energy: -0.3040331099951464
Energy: 0.8400976530506908
Energy: -0.3040528824941789
Energy: 0.8104195243256491
Energy: -0.37802098533682515
Energy: 0.810419524328364
Energy: -0.3780770540335955
Energy: 0.8104195243263279
Energy: -0.3045150856630168
Energy: 0.08768572360997715
Energy: 1.0266918871348971
Energy: 0.08782326930213331
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Energy: 0.08743352574777524
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Energy: 0.7913580106535376
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Energy: 0.791358010264818
Energy: 0.9615219980423089
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Energy: 0.6637498425835918
Energy: 0.26063221737052816
Energy: 0.6637498425822344
Energy: 0.34983563746892854
Energy: 0.6637498425835918
Energy: 0.7766543387442039
Energy: 0.6419445149889607
Energy: 0.7766543387442039
Energy: 0.6419445149889607
Energy: 0.7766543387442039
Energy: 0.6419445149896396
Energy: 0.08787854372360747
Energy: 1.0261444166109082
Energy: 0.08803561989483506
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Energy: 0.0881235789282706
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Energy: 1.2089928693084617
Energy: 0.8680797406638431
Energy: 1.2089928693104979
Energy: 0.8680797406638431
Energy: 1.2089928693104979
Energy: 0.8680797406638431

minimum gb energy = -0.8958659429876917 eV
minimum distance =  2.3530979069162 Angstroms
sigma value = 41


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

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Energy: 0.596290567417942
Energy: 0.6661458957011575
Energy: 0.596290567417942
Energy: 0.6661458957011575
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Energy: 0.4004160361261584
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Energy: 0.4004160360834115
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Energy: -0.3887604064452747
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Energy: 0.9206156798517066
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Energy: 0.9206156798517066
Energy: 0.4751286426133095
Energy: 0.9093013649781473
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Energy: 0.9093013649786821
Energy: 0.475127618826314
Energy: 0.9093013649781473
Energy: 0.987390389316845
Energy: 0.40289668045448596
Energy: 0.9873903893179149
Energy: 0.40289668027800296
Energy: 0.9873903893179149
Energy: 0.40289668017962177
Energy: -0.22275923570711012
Energy: -0.1876864091980846
Energy: -0.24037183278127136
Energy: -0.17227690089398356
Energy: -0.32464975590856904
Energy: -0.18846378291630123
Energy: 0.5808352474019722
Energy: 0.6151340463228214
Energy: 0.5808352474009023
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Energy: 0.5808352474019722
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Energy: 0.40069661330474
Energy: -0.2035088084911189
Energy: 0.4006966129726855
Energy: 0.23066371295114046
Energy: 0.40069661229787773
Energy: 0.23107512674211694

minimum gb energy = -0.7388101818504071 eV
minimum distance =  2.31563840839657 Angstroms
sigma value = 33


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

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Energy: 0.5899060266070731
Energy: 0.6720080664073609
Energy: 0.5899060266070731
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Energy: -0.6510450418530591
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Energy: -0.5015089356040611
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Energy: -0.5195684225803842
Energy: -0.49839752813706373
Energy: 0.8050351571188465
Energy: -0.6454573573756829
Energy: 0.805035157119256
Energy: -0.5996991505535
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Energy: -0.7548668279061069
Energy: 0.7378478416210494
Energy: -0.8331827938693628
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Energy: -0.7732595117098094
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Energy: 0.8740729102071726
Energy: 0.017140666827723725
Energy: 0.8740729102071726
Energy: 0.018183600130874777
Energy: 0.874072910206763

minimum gb energy = -1.7155917296182661 eV
minimum distance =  2.38118331430677 Angstroms
sigma value = 67


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

Energy: 0.717746653687191
Energy: 0.5995821517879242
Energy: 0.717746653687191
Energy: 0.5995821517879242
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Energy: -0.29302597264400854
Energy: -0.15944695172927678
Energy: -0.3165043440105694
Energy: -0.15944637688133012
Energy: -0.3256453510559968
Energy: -0.15951680975182866
Energy: 0.7177466536864212
Energy: 0.5995821517879242
Energy: 0.7177466536859365
Energy: 0.5995821517879242
Energy: 0.7177466536859365
Energy: 0.5995821517879242
Energy: -0.32063469463394184
Energy: -0.15834204848974684
Energy: -0.3250593432009255
Energy: -0.15834734736311062
Energy: -0.32174267999352935
Energy: -0.15840952371960396
Energy: 1.0626010751925854
Energy: 0.712009282867394
Energy: 1.0626010752001127
Energy: 0.7120092828676505
Energy: 1.0626010751022574
Energy: 0.7120092828676505

minimum gb energy = -0.3256453510559968 eV
minimum distance =  2.39016526926528 Angstroms
sigma value = 3


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

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Energy: 0.23340869469742437
Energy: 0.7892536933036782
Energy: 0.5116384091367331
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Energy: 0.7871869965944402
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Energy: -1.8496791775500079
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Energy: -1.4951630839686552
Energy: 0.4851453280096129
Energy: -2.1294033181516405
Energy: -1.5469672860108417
Energy: 0.7285821405644721
Energy: -1.7508202857738535
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Energy: -1.8614721282395912
Energy: -1.2535222620454474
Energy: -1.9141274258652865
Energy: 0.6608884757965366
Energy: -1.8732162331114655

minimum gb energy = -2.431429838738322 eV
minimum distance =  2.35022019407207 Angstroms
sigma value = 81


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

Energy: 0.7328196684033585
Energy: 0.7098002155173005
Energy: 0.7328196684028899
Energy: 0.7098002155173005
Energy: 0.7328196684038273
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Energy: -0.5101875566155775
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Energy: -1.5594268413727832
Energy: -1.4394624883688316
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Energy: -1.542234562127464
Energy: 0.5857203118807903
Energy: -1.6290595093502518

minimum gb energy = -1.7776885904157504 eV
minimum distance =  2.37158977028612 Angstroms
sigma value = 43


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

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Energy: 0.015316887664404415
Energy: 0.9148499073728883
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Energy: -0.8438552958234807
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Energy: 0.8156381226810011
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Energy: -0.5481227381536679
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Energy: -0.18973285114008462
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Energy: 0.14002099963261921
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Energy: 0.851326018858611
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Energy: 0.8513260188591866
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Energy: -0.47150587815797707
Energy: -0.12617883624736118
Energy: -0.5075057540296148
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Energy: -0.40546536934083693
Energy: -0.1205731870787061
Energy: -0.532293345151665
Energy: -0.13354567127790887
Energy: -0.5248591473496149
Energy: -0.1353062277567379
Energy: 0.7473574679468509
Energy: 0.7585093455107047
Energy: 0.7473574679474265
Energy: 0.7585093455130072
Energy: 0.7473574679456997
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Energy: -0.8685195264483545
Energy: 0.08001174075532139
Energy: -0.8811694566322625
Energy: 0.1810232218284352
Energy: -1.0467590245048277

minimum gb energy = -1.2180333341687726 eV
minimum distance =  2.35000561844243 Angstroms
sigma value = 57


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

Energy: -0.0010987901211423352
Energy: -0.0064535271579371474
Energy: 0.004947866062868726
Energy: -0.00647146807413827
Energy: 0.01656965117057438
Energy: -0.10345609859392212
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Energy: -0.3602763731410681
Energy: 0.4947282155181358
Energy: 0.744488015461148
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Energy: 0.7444853828620502
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Energy: 0.830226642564341
Energy: 0.4332196316074823
Energy: 0.022699298085232265
Energy: 0.43321324634797803
Energy: 0.025251124214792895
Energy: 0.43318612646697613
Energy: 0.02458840080702085
Energy: 0.09066434898861388
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Energy: -1.3417661980018325
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Energy: -1.6831106051171516
Energy: 0.7173363106292996
Energy: -1.6453411377829552
Energy: 0.7173363106292996
Energy: -1.6968304031448858
Energy: -0.2384523659016567
Energy: -0.3608765692194435
Energy: -1.304865656500184
Energy: -0.3624752531726733
Energy: -1.6440878965594972
Energy: -0.36209976508564073
Energy: 0.0979355686768904
Energy: -0.022533144314439396
Energy: 0.09637807043170515
Energy: -0.022710381985841677
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Energy: -0.02278879390667183
Energy: 0.47986400501895615
Energy: 0.05633208880551488
Energy: 0.4798640058853533
Energy: -0.28232114189159513
Energy: 0.479864006224337
Energy: -0.2868943674324416
Energy: 0.7073107912201555
Energy: 0.7091913834262839
Energy: 0.7073107912164289
Energy: 0.7091913834262839
Energy: 0.7073107912149382
Energy: 0.7091913834255724
Energy: -0.28460692390368625
Energy: -0.052828826355806005
Energy: -0.29996518561619784
Energy: 0.01227590331047682
Energy: -0.29878797440154115
Energy: -0.04538516585514103
Energy: -0.35005211923693164
Energy: -0.37849230930328565
Energy: -0.351614580722514
Energy: -0.3819499061540803
Energy: -0.34932729182840394
Energy: -0.34894303692298334

minimum gb energy = -1.6968304031448858 eV
minimum distance =  2.34820285920706 Angstroms
sigma value = 17


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

Energy: 0.8106223398478515
Energy: 0.7161349972183945
Energy: 0.8106223398478515
Energy: 0.7161349972194484
Energy: 0.8106223398478515
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Energy: 0.8422187538721236
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Energy: 0.8894946785099054
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Energy: 0.7502207998095172
Energy: 0.7898173666336887
Energy: 0.7502207998105711
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Energy: 0.5667758251683158
Energy: 0.6881491199867129
Energy: 0.5667758251683158
Energy: 0.6881491199867129
Energy: 0.5667758251672618
Energy: 0.5046294657195365
Energy: 0.5036403061581803
Energy: 0.5046294657195365
Energy: 0.5027687815514115
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Energy: 0.503022164688706
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Energy: 0.5751068775153675
Energy: -1.2702132241863766
Energy: 0.5751068775164215
Energy: -1.2371236626624698
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Energy: 0.6544823979675234
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Energy: 0.6544823975060466
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Energy: 0.5786168499420538
Energy: 0.6690547278065629
Energy: 0.5786168499399457
Energy: 0.6690547278065629
Energy: 0.5786168499409997
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Energy: -1.1121889780380554
Energy: 0.5784138031132513
Energy: -1.127411764008228
Energy: 0.5784138031143053
Energy: -1.1520277162474308
Energy: 0.5784138031143053
Energy: 0.5080326446699646
Energy: 0.7491325863142302
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Energy: 0.5080326446678565
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Energy: 0.720478918821758
Energy: -0.874527402312784
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Energy: -0.9313318364902853
Energy: 0.7204789188228121
Energy: -0.9861795145476269
Energy: -1.0774903558539022
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Energy: -1.1480042947582636
Energy: 0.6764046317733469
Energy: -0.7735186679497161
Energy: 0.6764046317733469
Energy: -0.7765126471217217
Energy: 0.7506523848369824
Energy: -0.7758611071109318
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Energy: -1.1520354589408992
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Energy: 0.7194389343306836
Energy: -0.9463910367423951
Energy: 0.7194389343306836
Energy: 0.045741996730937075
Energy: 0.7194389343296296
Energy: 0.04387690991321169

minimum gb energy = -1.2702132241863766 eV
minimum distance =  2.42361315355349 Angstroms
sigma value = 17


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

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Energy: 0.6378962801703066
Energy: 0.7581350254457679
Energy: 0.6378962801698996
Energy: 0.7581350254469891
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Energy: 0.7295644162319421
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Energy: 0.5856436297353356
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Energy: 0.6301332090107838
Energy: 0.6045560559109352
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Energy: 0.6577591186096009
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Energy: 0.5861610705319192
Energy: 0.7460411265191952
Energy: 0.5861610705323264
Energy: 0.7460411265199722
Energy: 0.5861610705339544
Energy: 0.7460411265207864
Energy: 0.6776021667152649
Energy: 0.7117937490252062
Energy: 0.6776021666867725
Energy: 0.7117937490256132
Energy: 0.6776021666733405
Energy: 0.7117937490256132
Energy: 0.6406449176768457
Energy: 0.6276971279441015
Energy: 0.6406449176768457
Energy: 0.6276971279445085
Energy: 0.6406449176768457
Energy: 0.6276971279445085
Energy: 0.7581350254510595
Energy: 0.6378962801670504
Energy: 0.7581350254506525
Energy: 0.6378962801682715
Energy: 0.7581350254510595
Energy: 0.6378962801682715
Energy: 0.640895189531881
Energy: 0.6875725374856043
Energy: 0.6408951895302528
Energy: 0.6875725374847903
Energy: 0.640895189531881
Energy: 0.6875725374876396
Energy: 0.6778400640750467
Energy: 0.7115615936072817
Energy: 0.6778400640628356
Energy: 0.7115615936072817
Energy: 0.6778400640242047
Energy: 0.7115615936072817
Energy: 0.5856436297353356
Energy: 0.7295644162323491
Energy: 0.5856436297357427
Energy: 0.7295644162331631
Energy: 0.5856436297345216
Energy: 0.7295644162327561
Energy: 0.6301332090201456
Energy: 0.6045560559089
Energy: 0.6301332090217736
Energy: 0.6045560559080859
Energy: 0.6301332090205526
Energy: 0.6045560559080859

minimum gb energy = 0.3480311872250707 eV
minimum distance =  2.36721654575384 Angstroms
sigma value = 57


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

Energy: 0.6005282807163799
Energy: 0.5548889666902022
Energy: 0.6005282807150544
Energy: 0.554888966690865
Energy: 0.6005282807143917
Energy: 0.5548889666915278
Energy: 0.613203762210489
Energy: 0.6006221403023313
Energy: 0.6132037622124772
Energy: 0.6006221403023313
Energy: 0.613203762210489
Energy: 0.6006221403023313
Energy: 0.6413855465430972
Energy: 0.6465703619655015
Energy: 0.6413855465424344
Energy: 0.6465703619655015
Energy: 0.6413855465437599
Energy: 0.6465703619661642
Energy: 0.5792654803786608
Energy: 0.689656139830268
Energy: 0.5792654803806491
Energy: 0.6896561398296052
Energy: 0.5792654803833
Energy: 0.689656139830268
Energy: 0.6039178690636839
Energy: 0.5756418702079854
Energy: 0.6039178690636839
Energy: 0.5756418702079854
Energy: 0.6039178690597075
Energy: 0.5756418702086481
Energy: 0.629132089450583
Energy: 0.5974031270644912
Energy: 0.6291320894525713
Energy: 0.5974031270644912
Energy: 0.629132089450583
Energy: 0.5974031270664794
Energy: 0.549616264871388
Energy: 0.6678799435713145
Energy: 0.549616264871388
Energy: 0.6678799435706518
Energy: 0.5496162648733762
Energy: 0.6678799435719773
Energy: 0.4918980580131529
Energy: 0.5702048164558853
Energy: 0.4937579027565982
Energy: 0.5707790813904229
Energy: 0.4929744530675498
Energy: 0.5722452127863964
Energy: 0.6395085510948841
Energy: 0.598248878510797
Energy: 0.6395085510955468
Energy: 0.5982488785101342
Energy: 0.6395085510955468
Energy: 0.5982488785101342
Energy: 0.610070374185078
Energy: 0.6439899993409809
Energy: 0.6100703741844155
Energy: 0.6439899993403182
Energy: 0.6100703741837527
Energy: 0.6439899993403182
Energy: 0.5501919948284383
Energy: 0.5284154986813665
Energy: 0.5501919948277755
Energy: 0.5280526790399275
Energy: 0.5501919948257873
Energy: 0.5280356971881685
Energy: 0.6576780796528842
Energy: 0.5814679464680877
Energy: 0.6576780796528842
Energy: 0.5814679464674248
Energy: 0.6576780796535469
Energy: 0.5814679464680877
Energy: 0.609532134649536
Energy: 0.6443403195913899
Energy: 0.609532134650199
Energy: 0.6443403195913899
Energy: 0.6095321346515244
Energy: 0.6443403195900644
Energy: 0.577855278815239
Energy: 0.6374402929987961
Energy: 0.5778552788178899
Energy: 0.6374402929961452
Energy: 0.5778552788178899
Energy: 0.6374402929961452
Energy: 0.701192743899731
Energy: 0.6109297438120963
Energy: 0.701192743899731
Energy: 0.6109297438074571
Energy: 0.701192743899731
Energy: 0.6109297438087826
Energy: 0.6075369039358717
Energy: 0.6101642072633506
Energy: 0.6075369039352089
Energy: 0.6101642072660015
Energy: 0.6075369039352089
Energy: 0.6101642072752197
Energy: 0.6381086982859538
Energy: 0.6114456073739114
Energy: 0.6381086982846284
Energy: 0.6114456073745742
Energy: 0.6381086982852912
Energy: 0.6114456073739114
Energy: 0.5875926046944501
Energy: 0.6102459304736056
Energy: 0.5875926046944501
Energy: 0.6102459304736056
Energy: 0.5875926046944501
Energy: 0.6102459304736056
Energy: 0.5866010620771664
Energy: 0.6378579383245812
Energy: 0.5866010620778292
Energy: 0.6378579383259066
Energy: 0.5866010620771664
Energy: 0.637857938325244
Energy: 0.590616221549341
Energy: 0.6842927069097249
Energy: 0.5906162215486783
Energy: 0.6842927069103877
Energy: 0.590616221549341
Energy: 0.6842927069097249
Energy: 0.6050840281216638
Energy: 0.6269322201204299
Energy: 0.6050840281190129
Energy: 0.6269322200919922
Energy: 0.6050840281090716
Energy: 0.6269322200847018
Energy: 0.577570538287653
Energy: 0.7462641562717774
Energy: 0.5775705382896411
Energy: 0.7462641562711145
Energy: 0.5775705382883157
Energy: 0.74626415627244
Energy: 0.6279892394576597
Energy: 0.6611431899340011
Energy: 0.6279892394583226
Energy: 0.6611431899333383
Energy: 0.627989239456997
Energy: 0.6611431899340011
Energy: 0.6596155942303286
Energy: 0.6132509952738705
Energy: 0.6596155942283404
Energy: 0.6132509952798353
Energy: 0.6596155942283404
Energy: 0.6132509952851373
Energy: 0.6623337623757496
Energy: 0.6252420371265345
Energy: 0.6623337623803888
Energy: 0.6252420371258717
Energy: 0.6623337623843653
Energy: 0.6252420371265345
Energy: 0.610175181488028
Energy: 0.6603127527873444
Energy: 0.6101751814900164
Energy: 0.6603127527873444
Energy: 0.6101751814886909
Energy: 0.6603127527873444
Energy: 0.5736071587172226
Energy: 0.6632810190281222
Energy: 0.5736071587198736
Energy: 0.6632810190320988
Energy: 0.5736071587205361
Energy: 0.6632810190267968

minimum gb energy = 0.4918980580131529 eV
minimum distance =  2.35205165407178 Angstroms
sigma value = 43


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

Energy: 0.5699487616109025
Energy: 0.5243127597723806
Energy: 0.5699487616113853
Energy: 0.5243127597723806
Energy: 0.5699487616118682
Energy: 0.5243127597728635
Energy: 0.5921692250854534
Energy: 0.5845048220265152
Energy: 0.5921692250844875
Energy: 0.5845048220265152
Energy: 0.5921692250844875
Energy: 0.5845048220260324
Energy: 0.573996104519906
Energy: 0.5835709851558338
Energy: 0.5739961045203889
Energy: 0.5835709851539022
Energy: 0.5739961045194231
Energy: 0.583570985154868
Energy: 0.6204461087651993
Energy: 0.5734273313347684
Energy: 0.6204461087656822
Energy: 0.573427331335734
Energy: 0.6204461087642337
Energy: 0.573427331335734
Energy: 0.5926640879432485
Energy: 0.49030779809640146
Energy: 0.5926640879437315
Energy: 0.49030779809640146
Energy: 0.5926640879442143
Energy: 0.4903077980968844
Energy: 0.5217886855507712
Energy: 0.5193283411647637
Energy: 0.5217886855488396
Energy: 0.5193283411637979
Energy: 0.5217886855493225
Energy: 0.5193283411647637
Energy: 0.4994294680159395
Energy: 0.5637286503667285
Energy: 0.4994294680173882
Energy: 0.5637286503667285
Energy: 0.4994294680183539
Energy: 0.5637286503657627
Energy: 0.5928850728264448
Energy: 0.46808635372592405
Energy: 0.5928850728269277
Energy: 0.46808635372206103
Energy: 0.5928850728254792
Energy: 0.4680863537230267
Energy: 0.5064524600236844
Energy: 0.5111196922455323
Energy: 0.5064524600222357
Energy: 0.5111196922474638
Energy: 0.5064524600227186
Energy: 0.5111196922460152
Energy: 0.5989938869713678
Energy: 0.5379171891017456
Energy: 0.5989938869723336
Energy: 0.5379171891012627
Energy: 0.5989938869713678
Energy: 0.5379171891017456
Energy: 0.660777164008098
Energy: 0.4840189165472663
Energy: 0.6607771640090637
Energy: 0.4840189129417873
Energy: 0.660777164008098
Energy: 0.48401890287245103
Energy: 0.5136227790295539
Energy: 0.5122871171609289
Energy: 0.5136227790300367
Energy: 0.5122871171614117
Energy: 0.5136227790300367
Energy: 0.5122871171614117
Energy: 0.5992152986871321
Energy: 0.5123442925691557
Energy: 0.5992152986880979
Energy: 0.5123442925686729
Energy: 0.5992152986871321
Energy: 0.5123442925691557
Energy: 0.6516841449395886
Energy: 0.4908019249086354
Energy: 0.6516841449386229
Energy: 0.49080158953902897
Energy: 0.6516841449395886
Energy: 0.4908008111141083
Energy: 0.5299477312321402
Energy: 0.5131607450058717
Energy: 0.5299477312326231
Energy: 0.5131607450034573
Energy: 0.5299477312306916
Energy: 0.5131607449986285
Energy: 0.5447069248445743
Energy: 0.5216777815797748
Energy: 0.5447069248431257
Energy: 0.5216777815792919
Energy: 0.5447069248450571
Energy: 0.5216777815802577
Energy: 0.4995797176349011
Energy: 0.45011515440872363
Energy: 0.4995797176368327
Energy: 0.449892528441988
Energy: 0.4995797176382813
Energy: 0.44994252076087987
Energy: 0.5457489490657809
Energy: 0.49000854743843203
Energy: 0.5457489490657809
Energy: 0.490008547438915
Energy: 0.5457489490657809
Energy: 0.4900085474418122
Energy: 0.5443714162364058
Energy: 0.5424677433853883
Energy: 0.5443714162373716
Energy: 0.5424677433849054
Energy: 0.5443714162368887
Energy: 0.5424677433853883
Energy: 0.523396721756412
Energy: 0.5087681037544558
Energy: 0.5233967217593093
Energy: 0.508768103753973
Energy: 0.5233967217573778
Energy: 0.5087681037530072
Energy: 0.5874004338734742
Energy: 0.5415244122043743
Energy: 0.5874004338720256
Energy: 0.5415244122048573
Energy: 0.5874004338729913
Energy: 0.5415244122053401
Energy: 0.5911009787780219
Energy: 0.5888220493031725
Energy: 0.5911009787789878
Energy: 0.5888220493036554
Energy: 0.5911009787775391
Energy: 0.5888220493036554
Energy: 0.5434268643514502
Energy: 0.5842545823123636
Energy: 0.5434268643509673
Energy: 0.5842545823118808
Energy: 0.543426864351933
Energy: 0.5842545823118808
Energy: 0.5403814982840524
Energy: 0.526860744082924
Energy: 0.5403814982550798
Energy: 0.5268607440809925
Energy: 0.5403814980914716
Energy: 0.5268607440834068
Energy: 0.5456864848250633
Energy: 0.538812660909195
Energy: 0.5456864848255462
Energy: 0.5388126609077464
Energy: 0.5456864848250633
Energy: 0.5388126609087122
Energy: 0.5488476059529134
Energy: 0.5664835105032504
Energy: 0.5488476059533963
Energy: 0.5664835105037334
Energy: 0.5488476059538792
Energy: 0.5664835105042162
Energy: 0.542097200380166
Energy: 0.5061480542680826
Energy: 0.5420972003811317
Energy: 0.506148054278706
Energy: 0.5420972003811317
Energy: 0.5061480542777402
Energy: 0.46561721830546565
Energy: 0.56743802599317
Energy: 0.4656172183064314
Energy: 0.5674380259941357
Energy: 0.46561721830739716
Energy: 0.56743802599317
Energy: 0.5055486780730086
Energy: 0.5376880929910692
Energy: 0.5055486780725258
Energy: 0.5376880929915522
Energy: 0.5055486780730086
Energy: 0.5376880929915522
Energy: 0.5275607032577928
Energy: 0.49717435723650927
Energy: 0.5275607032553784
Energy: 0.49717435682140915
Energy: 0.5275607032553784
Energy: 0.49717435646807384
Energy: 0.4647014681126357
Energy: 0.5028806765658276
Energy: 0.4647014681169816
Energy: 0.502880676564379
Energy: 0.4647014681136014
Energy: 0.502880676564379
Energy: 0.5052043762221414
Energy: 0.5221685293509626
Energy: 0.5052043762216586
Energy: 0.5221685293514454
Energy: 0.5052043762221414
Energy: 0.5221685293519283
Energy: 0.5113588688929963
Energy: 0.49925520096913084
Energy: 0.5113588688394405
Energy: 0.49925520097009657
Energy: 0.5113588687897042
Energy: 0.49925520097154524
Energy: 0.48661972919158947
Energy: 0.5093198790140082
Energy: 0.4866197287731093
Energy: 0.5093198790120765
Energy: 0.48661972636218426
Energy: 0.5093198790086965
Energy: 0.5264843697358647
Energy: 0.5054737595763161
Energy: 0.526484369738279
Energy: 0.5054737595753503
Energy: 0.5264843697373133
Energy: 0.5054737595767551
Energy: 0.46063824499973804
Energy: 0.49939401425675717
Energy: 0.46063824499973804
Energy: 0.49939401425772295
Energy: 0.46063824500017697
Energy: 0.49939401425675717

minimum gb energy = 0.449892528441988 eV
minimum distance =  2.35491636383892 Angstroms
sigma value = 81


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

Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: -0.03440655135648524
Energy: -0.0068231788514823595
Energy: -0.03440655135648524
Energy: -0.0068231788514823595
Energy: 0.7344846491461414
Energy: -0.006986586972214719
Energy: 0.7344846491461414
Energy: -0.00698658821004832
Energy: 0.7344846491479157
Energy: -0.00698658915707288
Energy: 0.7344800358238565
Energy: -0.007293624203058256
Energy: 0.7344800358238565
Energy: -0.007293622491712374
Energy: 0.7344800358256307
Energy: -0.007293627161149111
Energy: -0.03440655135648524
Energy: -0.0068231788514823595
Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: 0.7344846491479157
Energy: -0.006986584124084521
Energy: 0.7344846491461414
Energy: -0.006986586500476646
Energy: 0.7344846491461414
Energy: -0.006986586931407903
Energy: 0.7344800358256307
Energy: -0.007293627072478966
Energy: 0.7344800358256307
Energy: -0.007293627498087594
Energy: 0.7344800358256307
Energy: -0.007293625096856537
Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: -0.03440655135648524
Energy: -0.006823178853256569
Energy: 0.7344846491461414
Energy: -0.0069865889531194525
Energy: 0.7344846491461414
Energy: -0.006986566425338228
Energy: 0.7344846491461414
Energy: -0.006986588651624833
Energy: 0.7344800358256307
Energy: -0.007293627393449565
Energy: 0.7344800358256307
Energy: -0.007293627412965869
Energy: 0.7344800358256307
Energy: -0.007293626829492931
Energy: -0.03440655135648524
Energy: -0.0068231788514823595
Energy: -0.03440655135648524
Energy: -0.0068231788514823595
Energy: -0.03440655135648524
Energy: -0.006823178853256569

minimum gb energy = -0.03440655135648524 eV
minimum distance =  2.52918698966821 Angstroms
sigma value = 3


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

Energy: 0.3656022383397955
Energy: 0.3545109775723664
Energy: 0.36560223833926453
Energy: 0.3545109775723664
Energy: 0.3656022383403264
Energy: 0.3545109775723664
Energy: 0.22397308351183906
Energy: 0.2727192207351341
Energy: 0.22397308350918432
Energy: 0.2727192207351341
Energy: 0.22397308351077716
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Energy: 0.35374438490543225
Energy: 0.27083123075022825
Energy: 0.3537443849001229
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Energy: 0.3537443849027776
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Energy: 0.30055525064943267
Energy: 0.28589929044703194
Energy: 0.3005552506483708
Energy: 0.28589929023369176
Energy: 0.3005552506489017
Energy: 0.2858992865145738
Energy: 0.2898118987486653
Energy: 0.2703815799047272
Energy: 0.28981189874813434
Energy: 0.2703815799047272
Energy: 0.2898118987491962
Energy: 0.27038157990525813
Energy: 0.3374717293312661
Energy: 0.29918844301783065
Energy: 0.33747172932330205
Energy: 0.29918844301836156
Energy: 0.33747172932542585
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Energy: 0.31380061304834106
Energy: 0.4342322851478527
Energy: 0.31380061304834106
Energy: 0.43423228514625994
Energy: 0.31380061304834106
Energy: 0.43423228514625994
Energy: 0.15195313516004122
Energy: 0.28622362343227764
Energy: 0.15195313516163403
Energy: 0.28622362343280855
Energy: 0.1519531351637578
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Energy: 0.34760691495292567
Energy: 0.3109950895485385
Energy: 0.3476069149508019
Energy: 0.3109950895480076
Energy: 0.34760691495239476
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Energy: 0.28532605365452746
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Energy: 0.2851866422270408
Energy: 0.2264852902359188
Energy: 0.28518664222650986
Energy: 0.22648529023485695
Energy: 0.28518664222650986
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Energy: 0.3177841550748579
Energy: 0.32837180138344757
Energy: 0.31778415506954855
Energy: 0.3283718013829166
Energy: 0.31778415504671825
Energy: 0.32837180138344757
Energy: 0.26997654621061096
Energy: 0.1475706593957698
Energy: 0.26997654621061096
Energy: 0.14757065074163958
Energy: 0.26997654621061096
Energy: 0.1475706565491263
Energy: 0.2708031315841302
Energy: 0.29721063962106664
Energy: 0.2708031315841302
Energy: 0.29721063962106664
Energy: 0.27080313158359925
Energy: 0.29721063962106664
Energy: 0.3919662094653211
Energy: 0.3261874946487543
Energy: 0.39196620946425925
Energy: 0.32618749464822333
Energy: 0.3919662094621355
Energy: 0.32618749464822333
Energy: 0.2532951925584321
Energy: 0.1477748738950214
Energy: 0.2211431197292782
Energy: 0.14777487389449045
Energy: 0.2198853794191849
Energy: 0.14777487389555233
Energy: 0.2662774188301095
Energy: 0.3218081034020296
Energy: 0.26627741883064043
Energy: 0.3218081034062771
Energy: 0.26627741883064043
Energy: 0.3218081034020296
Energy: 0.34139709586364836
Energy: 0.2835010864061388
Energy: 0.34139709586577216
Energy: 0.2835010864061388
Energy: 0.34139709586417927
Energy: 0.2835010864061388
Energy: 0.31308882491674506
Energy: 0.2074649633010942
Energy: 0.31308883523357717
Energy: 0.20746496330056327
Energy: 0.3130888345930257
Energy: 0.20746496330162514
Energy: 0.31413215391752064
Energy: 0.35320726311675704
Energy: 0.3141321539180516
Energy: 0.353207263117288
Energy: 0.31413215391752064
Energy: 0.3532072631178189
Energy: 0.35864125705940236
Energy: 0.2837992222177755
Energy: 0.3586412570588714
Energy: 0.2837992222172446
Energy: 0.3586412570615261
Energy: 0.2837992222172446
Energy: 0.3160901954129793
Energy: 0.41981041223944493
Energy: 0.3160901954129793
Energy: 0.419810412238914
Energy: 0.3160901954119174
Energy: 0.41981041223997584
Energy: 0.3380435109134648
Energy: 0.35195285208515903
Energy: 0.33804351091399576
Energy: 0.35195285208409716
Energy: 0.33804351091399576
Energy: 0.35195285208569
Energy: 0.35115047346489336
Energy: 0.29932582533031316
Energy: 0.3511504734654243
Energy: 0.29932582533031316
Energy: 0.35115047346489336
Energy: 0.29932582533031316
Energy: 0.2657556878046526
Energy: 0.3322147575711529
Energy: 0.26575568780310804
Energy: 0.3322147575669054
Energy: 0.2657556878041217
Energy: 0.33221475755734853

minimum gb energy = -1.1972203673411481 eV
minimum distance =  2.37050163490983 Angstroms
sigma value = 67


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

Energy: 0.3346328423957887
Energy: 0.4280000484581677
Energy: 0.33463284240411045
Energy: 0.42800004845741113
Energy: 0.3346328424056235
Energy: 0.4280000484581677
Energy: 0.4157240798348853
Energy: 0.050944282302546724
Energy: 0.4157240798348853
Energy: 0.050944282301033664
Energy: 0.4157240798371549
Energy: 0.050944282301033664
Energy: 0.48586989806571534
Energy: 0.41221629060185694
Energy: 0.48586989806571534
Energy: 0.4122162906011004
Energy: 0.4858698980649588
Energy: 0.41221629060185694
Energy: 0.3612253847362097
Energy: 0.5081680259919098
Energy: 0.3612253847445314
Energy: 0.5081680259919098
Energy: 0.3612253847445314
Energy: 0.5081680259926663
Energy: 0.46207158361392386
Energy: 0.2763713747846362
Energy: 0.46207158361392386
Energy: 0.2763713747853927
Energy: 0.46207158361468037
Energy: 0.2763713747853927
Energy: 0.4846807602612106
Energy: 0.4283208609938202
Energy: 0.4846807602612106
Energy: 0.4283208609938202
Energy: 0.48468076025969753
Energy: 0.4283208609938202
Energy: 0.2845783158966265
Energy: 0.490147526962164
Energy: 0.2845783158875482
Energy: 0.490147526760997
Energy: 0.2845783158928438
Energy: 0.4901475265008898
Energy: 0.5511779566237222
Energy: 0.2889432603792798
Energy: 0.5511779566244787
Energy: 0.28894326037776674
Energy: 0.5511779566237222
Energy: 0.28894326037776674
Energy: 0.4999224503825404
Energy: -2.263573943194219
Energy: 0.49992245038329697
Energy: -1.8074654636378353
Energy: 0.4999224503825404
Energy: -2.1425533124739045
Energy: 0.4306613795296007
Energy: 0.463038496516044
Energy: 0.43066137953035727
Energy: 0.4630384965168005
Energy: 0.4306613795296007
Energy: 0.4630384965168005
Energy: 0.4483215068978679
Energy: 0.43237669546459584
Energy: 0.4483215047102028
Energy: 0.4323766954653524
Energy: 0.4483214983333126
Energy: 0.4323766954661089
Energy: 0.4295897606220828
Energy: 0.42455061570693586
Energy: 0.4295897606228392
Energy: 0.4245486173687325
Energy: 0.4295897606220828
Energy: 0.4245473918765961
Energy: 0.43231714662131754
Energy: 0.4385217152619375
Energy: 0.43231714662131754
Energy: 0.43852171525966804
Energy: 0.43231714662131754
Energy: 0.4385217152611811
Energy: 0.46883356282813854
Energy: 0.06363757114354822
Energy: 0.46883356282813854
Energy: 0.06363757114430474
Energy: 0.46883356282738203
Energy: 0.06363757114506126
Energy: 0.3707017449499975
Energy: 0.3931492353048382
Energy: 0.37070174495075403
Energy: 0.3931492353040817
Energy: 0.37070174494924096
Energy: 0.3931492353048382
Energy: 0.05699866943911176
Energy: 0.44301147853081013
Energy: 0.056998669436842196
Energy: 0.4430114785315666
Energy: 0.056998669440624816
Energy: 0.44301147853081013
Energy: 0.4942433034091079
Energy: 0.06176405367295367
Energy: 0.49424330339404615
Energy: 0.061764053673710205
Energy: 0.4942433033864809
Energy: 0.061764053673710205
Energy: 0.3458727947725673
Energy: 0.4345044228568169
Energy: 0.3458727947755934
Energy: 0.43450442285984303
Energy: 0.34587279477105426
Energy: 0.43450442286211255
Energy: 0.2848121403974355
Energy: 0.47377455474968183
Energy: 0.2848121403981921
Energy: 0.47377455474892527
Energy: 0.2848121403981921
Energy: 0.4737745547474122
Energy: 0.7364332844798588
Energy: 0.050858415816274906
Energy: 0.7364332844798588
Energy: 0.050858415816274906
Energy: 0.7364332844791023
Energy: 0.05085841581703144
Energy: -2.3961206063060674
Energy: 0.43874150657105526
Energy: -2.464191768902907
Energy: 0.43874150657181177
Energy: -2.3182452417268036
Energy: 0.43874150657105526
Energy: 0.39664185418525766
Energy: -2.0695140581403595
Energy: 0.3966418541867707
Energy: -2.2941678654619992
Energy: 0.3966418541867707
Energy: -1.8568436673055562
Energy: 0.4857249412491579
Energy: 0.052896246948174706
Energy: 0.4857249412491579
Energy: 0.05289624694666165
Energy: 0.4857249412484014
Energy: 0.05289624694893123

minimum gb energy = -2.464191768902907 eV
minimum distance =  2.36321786254435 Angstroms
sigma value = 33


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

Energy: 0.454316333305757
Energy: 0.5676792727656371
Energy: 0.45431633330431725
Energy: 0.5676792727651571
Energy: 0.45431633330431725
Energy: 0.567679272766117
Energy: 0.4956481720406561
Energy: 0.3846994656786239
Energy: 0.4956481720411361
Energy: 0.3846994656661458
Energy: 0.4956481720406561
Energy: 0.3846994656786239
Energy: 0.4353688064942496
Energy: 0.3773527146155464
Energy: 0.43536880649280985
Energy: 0.3773527146165062
Energy: 0.43536880649041027
Energy: 0.37735271461362674
Energy: 0.3864031552563753
Energy: 0.6068116579338969
Energy: 0.3864031552563753
Energy: 0.6068116579329372
Energy: 0.3864031552578151
Energy: 0.6068116579338969
Energy: 0.5831993286955768
Energy: 0.42611747438958175
Energy: 0.5831993286955768
Energy: 0.4261174743823829
Energy: 0.5831993286955768
Energy: 0.4261174743833428
Energy: -0.9494218379433368
Energy: 0.5507541832501583
Energy: -1.182497049501154
Energy: 0.5507541832501583
Energy: -0.9227148245809572
Energy: 0.5507541832501583
Energy: 0.3756009076230819
Energy: 0.6095998306650842
Energy: 0.37560090762260195
Energy: 0.6095998306665241
Energy: 0.3756009076216421
Energy: 0.6095998306660441
Energy: 0.6780680258058192
Energy: 0.5636163012896244
Energy: 0.6780680258058192
Energy: 0.5636163012886645
Energy: 0.6780680258053393
Energy: 0.5636163012891445
Energy: 0.5263486501515284
Energy: 0.5600295860643051
Energy: 0.5263486501510485
Energy: 0.5600295860628655
Energy: 0.5263486501510485
Energy: 0.5600295860638251
Energy: 0.07076489010143393
Energy: 0.6064761863461571
Energy: 0.07076489008703617
Energy: 0.6064761863461571
Energy: 0.07076489008463653
Energy: 0.6064761863451972
Energy: 0.5895372868597054
Energy: 0.4248522861404517
Energy: 0.5895372868664243
Energy: 0.4248522861380521
Energy: 0.5895372868654644
Energy: 0.4248522861380521
Energy: 0.5106775802142186
Energy: 0.541235534236616
Energy: 0.5106775802137387
Energy: 0.5412355342375759
Energy: 0.5106775802142186
Energy: 0.541235534237096
Energy: 0.08538111002776792
Energy: 0.4590347589784959
Energy: 0.08538111002968762
Energy: 0.4590347589784959
Energy: 0.08538111003784635
Energy: 0.459034758977536
Energy: 0.5176846661264335
Energy: 0.3842242710264165
Energy: 0.5176846661259535
Energy: 0.38422427102737633
Energy: 0.5176846661249938
Energy: 0.38422427103025586
Energy: 0.4679700987162443
Energy: 0.532559502578048
Energy: 0.467970098717684
Energy: 0.5325595025785278
Energy: 0.4679700987287222
Energy: 0.5325595025790077
Energy: 0.38993391869193256
Energy: 0.5242134377805764
Energy: 0.38993391869193256
Energy: 0.5242134377800965
Energy: 0.3899339186914526
Energy: 0.5242134377565801
Energy: 0.5868984370782762
Energy: 0.3756984287161128
Energy: 0.5868984370773164
Energy: 0.37569842871659276
Energy: 0.5868984370787562
Energy: 0.3756984287161128
Energy: 0.4558394569763337
Energy: -1.2276779376672833
Energy: 0.4558391751593653
Energy: -1.308330529575645
Energy: 0.45583358027196547
Energy: -1.5288751917080476
Energy: 0.4920458113576674
Energy: 0.6345031856110293
Energy: 0.4920458113581473
Energy: 0.6345031856105494
Energy: 0.4920458113581473
Energy: 0.6345031856110293
Energy: 0.609011080667523
Energy: 0.3843289283737363
Energy: 0.6090110806651234
Energy: 0.3843289283737363
Energy: 0.6090110806660833
Energy: 0.3843289283737363
Energy: 0.3762550157641541
Energy: 0.5274887071140533
Energy: 0.3762550157641541
Energy: 0.5274887071140533
Energy: 0.37625501576511394
Energy: 0.5274887071111737
Energy: 0.48210836622703984
Energy: 0.5701571820427452
Energy: 0.4821083662279996
Energy: 0.5701571820427452
Energy: 0.4821083662289595
Energy: 0.5701571820422654
Energy: 0.6150729198733975
Energy: 0.424163650627426
Energy: 0.6150729179799618
Energy: 0.4241636506269461
Energy: 0.6150729122426305
Energy: 0.42416365062790595
Energy: 0.07904851494838555
Energy: 0.5451342763340004
Energy: 0.07904851494646584
Energy: 0.5451342763330406
Energy: 0.07904851494886549
Energy: 0.5451342763330406
Energy: 0.5140024048083832
Energy: 0.523301977190188
Energy: 0.5140024048103029
Energy: 0.5233019771897081
Energy: 0.5140024048103029
Energy: 0.5233019771892281
Energy: 0.6806187324937234
Energy: 0.5248595638672434
Energy: 0.6806187324927636
Energy: 0.5248595638672434
Energy: 0.6806187324913238
Energy: 0.5248595638672434
Energy: 0.37725922470665263
Energy: 0.5601079659361466
Energy: 0.37725922470569284
Energy: 0.5601079659361466
Energy: 0.3772592247071326
Energy: 0.5601079659356668
Energy: 0.3757997163332024
Energy: 0.5862761376489106
Energy: 0.37579971633272247
Energy: 0.586259036896233
Energy: 0.3757997163332024
Energy: 0.5862240129781277
Energy: 0.6147709676516748
Energy: 0.42471588791257064
Energy: 0.6147709676531147
Energy: 0.42471588791257064
Energy: 0.6147709676526347
Energy: 0.42471588791209075
Energy: 0.386522425494907
Energy: 0.6077691739495932
Energy: 0.3865224254939471
Energy: 0.6077691739500732
Energy: 0.38652242549346716
Energy: 0.6077691739495932
Energy: -1.361148954852664
Energy: -1.0673737528833322
Energy: -0.9393954061262003
Energy: -1.4195172691091018
Energy: -0.5080170502052904
Energy: -1.40025858707529
Energy: 0.5749139725886385
Energy: 0.3848019206416178
Energy: 0.5749139725881587
Energy: 0.38480192063921814
Energy: 0.5749139725876786
Energy: 0.3848019206416178
Energy: 0.4911044810173722
Energy: 0.5233660102598954
Energy: 0.4911044810188119
Energy: 0.5233660102306199
Energy: 0.4911044810173722
Energy: 0.52336601023014
Energy: 0.466141290263975
Energy: 0.3850523070092233
Energy: 0.4661412902625353
Energy: 0.3850523070077835
Energy: 0.4661412902625353
Energy: 0.385052307004904
Energy: 0.548591404696868
Energy: 0.37835983513627064
Energy: 0.5485914046973477
Energy: 0.37835983513531074
Energy: 0.5485914046978277
Energy: 0.37835983513435095
Energy: 0.08493134020356766
Energy: 0.47531214879280403
Energy: 0.0849313402045275
Energy: 0.47531214879328393
Energy: 0.08493134020308772
Energy: 0.4753121487942437
Energy: 0.5121374393104662
Energy: 0.49193653050640207
Energy: 0.5121374393095063
Energy: 0.49193653050640207
Energy: 0.5121374393099862
Energy: 0.4919365305059221

minimum gb energy = -1.5288751917080476 eV
minimum distance =  2.37959872672269 Angstroms
sigma value = 41


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

Energy: 0.7025371027759437
Energy: 0.7298582802528891
Energy: 0.7025371027746334
Energy: 0.7298582802528891
Energy: 0.702537102773323
Energy: 0.7298582802528891
Energy: 0.7556394323798024
Energy: 0.7281226821999057
Energy: 0.7556394323798024
Energy: 0.7281226821999057
Energy: 0.7556394323811128
Energy: 0.7281226821999057
Energy: 0.8228758228679062
Energy: 0.725903649365496
Energy: 0.8228758228652855
Energy: 0.725903649365496
Energy: 0.8228758228679062
Energy: 0.725903649365496
Energy: 0.6971048354762946
Energy: 0.8146217932427263
Energy: 0.6971048354762946
Energy: 0.8146217932440367
Energy: 0.6971048354776049
Energy: 0.8146217932440367
Energy: 0.7951152188156763
Energy: 0.7333307835765778
Energy: 0.7951152188156763
Energy: 0.7333307835752674
Energy: 0.7951152188156763
Energy: 0.7333307835765778
Energy: 0.811290467645685
Energy: 0.8068758043317736
Energy: 0.8112904676469954
Energy: 0.8068758043317736
Energy: 0.811290467645685
Energy: 0.8068758043317736
Energy: 0.6979878976740798
Energy: 0.7742625765374156
Energy: 0.6979878976727694
Energy: 0.7742625765374156
Energy: 0.6979878976740798
Energy: 0.7742625765374156
Energy: 0.741530564930157
Energy: 0.7287686414577426
Energy: 0.7415305649288467
Energy: 0.7287686414577426
Energy: 0.741530564930157
Energy: 0.7287686414577426
Energy: 0.7611839402173594
Energy: 0.748869224166205
Energy: 0.7611839402173594
Energy: 0.7488692241648947
Energy: 0.7611839402173594
Energy: 0.7488692241648947
Energy: 0.6976030402937949
Energy: 0.7999163953795242
Energy: 0.6976030402937949
Energy: 0.7999163953808346
Energy: 0.6976030402937949
Energy: 0.7999163953795242
Energy: 0.7554884806823429
Energy: 0.7267923565616625
Energy: 0.7554884806823429
Energy: 0.7267923565603522
Energy: 0.7554884806823429
Energy: 0.7267923565603522
Energy: 0.7550219245860864
Energy: 0.7268161059928163
Energy: 0.7550219245873968
Energy: 0.7268161059928163
Energy: 0.7550219245873968
Energy: 0.7268161059928163
Energy: 0.7318707936269153
Energy: 0.8114465257544383
Energy: 0.7318707936269153
Energy: 0.8114465257544383
Energy: 0.7318707936269153
Energy: 0.8114465257544383
Energy: 0.7939399851778964
Energy: 0.7284518519363042
Energy: 0.7939399851778964
Energy: 0.7284518519363042
Energy: 0.7939399851778964
Energy: 0.7284518519363042

minimum gb energy = 0.6971048354762946 eV
minimum distance =  2.369762711081 Angstroms
sigma value = 11


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

Energy: 0.8544748902055919
Energy: 0.9176695700088875
Energy: 0.8544748902044407
Energy: 0.9176695700094631
Energy: 0.8544748902050163
Energy: 0.9176695700088875
Energy: 0.9160390123135036
Energy: 0.8700554583489543
Energy: 0.9160390123129281
Energy: 0.8700554583518325
Energy: 0.9160390123129281
Energy: 0.8700554583489543
Energy: 1.016888000318104
Energy: 0.8890350473865969
Energy: 1.016888000318104
Energy: 0.8890350473865969
Energy: 1.0168880003175285
Energy: 0.8890350473865969
Energy: 0.8503794661290104
Energy: 0.9552736924098911
Energy: 0.8503794661284347
Energy: 0.9552736924093156
Energy: 0.8503794661284347
Energy: 0.9552736924104668
Energy: 0.9817679548722902
Energy: 0.9098875885279792
Energy: 0.9051660022952798
Energy: 0.9098875885291304
Energy: 0.9047811716238462
Energy: 0.9098875885279792
Energy: 0.8892163663524546
Energy: 0.8836107509335603
Energy: 0.8892163663524546
Energy: 0.8836107509335603
Energy: 0.8892163663524546
Energy: 0.8836107509341359
Energy: 0.8729782526010399
Energy: 1.0050806478845498
Energy: 0.8729782526004641
Energy: 1.005080647885701
Energy: 0.8729782526010399
Energy: 1.0050806478862766
Energy: 0.9691878704355545
Energy: 0.8641470089244171
Energy: 0.9691878704361302
Energy: 0.8641470089249927
Energy: 0.9691878704361302
Energy: 0.8641470089244171
Energy: 0.9575361851730562
Energy: 0.8647163551219326
Energy: 0.9575361851736319
Energy: 0.8647163551219326
Energy: 0.9575361851736319
Energy: 0.8647163551219326
Energy: 0.896215965288226
Energy: 0.9609125331069095
Energy: 0.8962159652876505
Energy: 0.960912533106334
Energy: 0.8962159652876505
Energy: 0.9609125331074853
Energy: 0.9273338888375249
Energy: 0.9018833738442984
Energy: 0.9273338888375249
Energy: 0.9018833738437226
Energy: 0.9273338888375249
Energy: 0.9018833738460251
Energy: 0.9577173208944507
Energy: 0.9355328667661227
Energy: 0.9577173208944507
Energy: 0.9355328667609419
Energy: 0.9577173208944507
Energy: 0.9355328667615177
Energy: 0.8518947791965419
Energy: 0.9522674608181673
Energy: 0.851894779194815
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Energy: 0.8518947791953908
Energy: 0.9522674608175914
Energy: 0.9997536376798261
Energy: 0.8596343958308507
Energy: 0.9997536376809771
Energy: 0.8596343958308507
Energy: 0.9997536376809771
Energy: 0.8596343958308507
Energy: 0.886273100278345
Energy: 0.8854306622495772
Energy: 0.8862731002777695
Energy: 0.8854306622495772
Energy: 0.8862731002789206
Energy: 0.8854306622495772
Energy: 0.8965640275637141
Energy: 0.9476887381820356
Energy: 0.8965640275637141
Energy: 0.9476887381808843
Energy: 0.8965640275637141
Energy: 0.94768873818146
Energy: 0.9209956737348558
Energy: 0.87190936845725
Energy: 0.9209956737348558
Energy: 0.8719093684578257
Energy: 0.9209956737348558
Energy: 0.8719093684578257
Energy: 0.9430851829978973
Energy: 0.942427984441594
Energy: 0.9430851829978973
Energy: 0.942427984441594
Energy: 0.9430851829978973
Energy: 0.942427984441594
Energy: 0.8877033238779989
Energy: 0.9407365732609352
Energy: 0.8877033238779989
Energy: 0.9407365732609352
Energy: 0.8877033238779989
Energy: 0.9407365732609352
Energy: 0.9337943651935691
Energy: 0.8852101459251491
Energy: 0.9337943651929935
Energy: 0.8852101459251491
Energy: 0.9337943651883884
Energy: 0.8852101459257248
Energy: 0.877155718981597
Energy: 0.9263978036345556
Energy: 0.8771557189821726
Energy: 0.9263978036351311
Energy: 0.877155718983324
Energy: 0.9263978036351311
Energy: 0.8240614481775019
Energy: 1.004068142942634
Energy: 0.8240614481746239
Energy: 1.004068142942634
Energy: 0.8240614481734725
Energy: 1.0040681429420584
Energy: 1.0075181444887007
Energy: 0.8883772969626528
Energy: 1.0075181444881252
Energy: 0.8883772969620772
Energy: 1.0075181444887007
Energy: 0.8883772969632284
Energy: 0.9638530909525423
Energy: 0.8685423777128255
Energy: 0.9638530909531179
Energy: 0.8685423777105229
Energy: 0.9638530909531179
Energy: 0.8685423777128255
Energy: 0.8973377280341057
Energy: 0.9537697646925775
Energy: 0.8973377280341057
Energy: 0.9537697646920019
Energy: 0.8973377280335302
Energy: 0.9537697646925775
Energy: 0.9864575514723355
Energy: 0.9052961402804129
Energy: 0.9864575514723355
Energy: 0.9052961402798372
Energy: 0.9864575514723355
Energy: 0.9052961402804129
Energy: 0.8934544398863719
Energy: 1.0172585916287153
Energy: 0.8934544398863719
Energy: 1.0172585916287153
Energy: 0.8934544398863719
Energy: 1.0172585916287153
Energy: 0.8503571905889624
Energy: 0.9255314380139806
Energy: 0.8503571905889624
Energy: 0.9255314380139806
Energy: 0.8503571905889624
Energy: 0.9255314380134051
Energy: 0.957628203313615
Energy: 0.8552783065797935
Energy: 0.957628203313615
Energy: 0.8552783065797935
Energy: 0.957628203313615
Energy: 0.8552783065780666
Energy: 0.9097504242647486
Energy: 0.8878960344783792
Energy: 0.9097504242641729
Energy: 0.8878960344783792
Energy: 0.9097504242647486
Energy: 0.8878960344778034
Energy: 0.8901862815098337
Energy: 0.9930007341006015
Energy: 0.8901862815092579
Energy: 0.9930007341011771
Energy: 0.8901862815098337
Energy: 0.9930007341011771

minimum gb energy = 0.8240614481734725 eV
minimum distance =  2.32324641146264 Angstroms
sigma value = 57


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

Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.9680709237232606
Energy: 1.0241048170365419
Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.9631001968403387
Energy: 1.0268581784038144
Energy: 0.9631001968403387
Energy: 1.0268581784038144
Energy: 0.9631001968403387
Energy: 1.0268581784058632
Energy: 1.1386475563799732
Energy: 1.0238879922198951
Energy: 1.1386475563799732
Energy: 1.0238879922188708
Energy: 1.1386475563809972
Energy: 1.0238879922188708
Energy: 0.9598816125181402
Energy: 1.2993811335754368
Energy: 0.9598816125181402
Energy: 1.2993811335795342
Energy: 0.9598816125181402
Energy: 1.2993811335795342
Energy: 1.138682918010141
Energy: 1.0239145993222174
Energy: 1.138682918010141
Energy: 1.0239145993222174
Energy: 1.138682918010141
Energy: 1.0239145993222174
Energy: 0.9627623733741075
Energy: 1.0266745299394484
Energy: 0.9627623733741075
Energy: 1.0266745299373996
Energy: 0.9627623733741075
Energy: 1.0266745299373996
Energy: 0.9680709237232606
Energy: 1.024104817034493
Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.968070923724285
Energy: 1.024104817034493
Energy: 0.9631001968393146
Energy: 1.026858178404839
Energy: 0.9631001968403387
Energy: 1.0268581784038144
Energy: 0.9631001968403387
Energy: 1.026858178404839
Energy: 1.1386475563820218
Energy: 1.0238879922188708
Energy: 1.1386475563799732
Energy: 1.0238879922188708
Energy: 1.1386475563830463
Energy: 1.0238879922188708
Energy: 0.9598816125222375
Energy: 1.2886411650335865
Energy: 0.9598816125191646
Energy: 1.288641165034611
Energy: 0.9598816125181402
Energy: 1.2886411650335865
Energy: 1.1386829180121893
Energy: 1.0239145993232421
Energy: 1.1386829180121893
Energy: 1.0239145993232421
Energy: 1.1386829180132139
Energy: 1.0239145993232421
Energy: 0.9627623733730832
Energy: 1.0266745299373996
Energy: 0.9627623733730832
Energy: 1.0266745299373996
Energy: 0.9627623733730832
Energy: 1.0266745299384241
Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.9680709237232606
Energy: 1.0241048170355174
Energy: 0.9631001968393146
Energy: 1.026858178404839
Energy: 0.963100196841363
Energy: 1.0268581784058632
Energy: 0.963100196841363
Energy: 1.026858178404839
Energy: 1.1386475563748513
Energy: 1.0238879922188708
Energy: 1.1386475563769
Energy: 1.0238879922188708
Energy: 1.1386475563758758
Energy: 1.0238879922188708
Energy: 0.9598816125181402
Energy: 1.1533897778374642
Energy: 0.9598816125171159
Energy: 1.15338977783644
Energy: 0.9598816125171159
Energy: 1.1533897778374642
Energy: 1.138682918010141
Energy: 1.0239145993222174
Energy: 1.138682918010141
Energy: 1.0239145993222174
Energy: 1.138682918011165
Energy: 1.0239145993222174

minimum gb energy = 0.9598816125171159 eV
minimum distance =  2.34530078255021 Angstroms
sigma value = 9


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

Energy: 1.1071042218505043
Energy: 0.9957999232496543
Energy: 1.1071042218513405
Energy: 0.9957999232479814
Energy: 1.1071042218505043
Energy: 0.9957999232488177
Energy: 1.0030190588991148
Energy: 1.067293103532055
Energy: 1.0030190589007872
Energy: 1.067293103532055
Energy: 1.0030190588991148
Energy: 1.0672931035328914
Energy: 1.0842353560893472
Energy: 0.9917946187477528
Energy: 1.0842353560893472
Energy: 0.9917946187477528
Energy: 1.0842353560893472
Energy: 0.9917946187485892
Energy: 0.9961240825961021
Energy: 1.0811854910011538
Energy: 0.9961240825961021
Energy: 1.0811854910019902
Energy: 0.9961240825961021
Energy: 1.0811854910011538
Energy: 1.0493456166266524
Energy: 0.9833946339432557
Energy: 1.0493456166266524
Energy: 0.9833946339424193
Energy: 1.0493456166266524
Energy: 0.9833946339407466
Energy: 1.0686208298873567
Energy: 1.0000870640686137
Energy: 1.068620829888193
Energy: 1.0000870640686137
Energy: 1.0686208298890294
Energy: 1.0000870640686137
Energy: 0.9933312008502516
Energy: 1.117333053280433
Energy: 0.9933312008494153
Energy: 1.117333053280433
Energy: 0.9933312008494153
Energy: 1.117333053280433
Energy: 0.990324841868724
Energy: 1.0728517832931088
Energy: 0.990324841868724
Energy: 1.0728517832922724
Energy: 0.990324841868724
Energy: 1.0728517832922724
Energy: 1.1000485498743982
Energy: 1.0892378766027175
Energy: 1.1000485498735617
Energy: 1.0892378766035538
Energy: 1.1000485498735617
Energy: 1.0892378766027175
Energy: 0.9960605915743675
Energy: 1.0499156045121427
Energy: 0.9960605915743675
Energy: 1.0499156045113063
Energy: 0.9960605915743675
Energy: 1.0499156045113063
Energy: 1.0623410684928407
Energy: 1.0231137254067713
Energy: 1.0623410684928407
Energy: 1.0231137254067713
Energy: 1.0623410684928407
Energy: 1.0231137254076077
Energy: 1.1227977263223248
Energy: 1.0006441446703043
Energy: 1.1227977263214883
Energy: 1.0006441446711405
Energy: 1.122797726320652
Energy: 1.0006441446711405
Energy: 0.9913436294645117
Energy: 1.0660821022037628
Energy: 0.9913436294653479
Energy: 1.0660821022037628
Energy: 0.9913436294645117
Energy: 1.0660821022037628
Energy: 1.0736882396199208
Energy: 1.0825773948143302
Energy: 1.0736882396199208
Energy: 1.0825773948151667
Energy: 1.0736882396207572
Energy: 1.0825773948143302
Energy: 1.1115975887595764
Energy: 0.9980875601066252
Energy: 1.1115975887604126
Energy: 0.9980875601074615
Energy: 1.1115975887595764
Energy: 0.9980875601074615
Energy: 1.065804262467044
Energy: 1.1065576379303783
Energy: 1.065804262467044
Energy: 1.1065576379295419
Energy: 1.065804262467044
Energy: 1.1065576379303783
Energy: 0.9917794410967627
Energy: 1.0727128781210302
Energy: 0.9917794410967627
Energy: 1.0727128781218664
Energy: 0.9917794410950901
Energy: 1.0727128781227029
Energy: 1.256412132131822
Energy: 1.000429087571264
Energy: 1.256412132131822
Energy: 1.000429087571264
Energy: 1.256412132131822
Energy: 1.000429087571264
Energy: 0.994774730164067
Energy: 1.075458138757177
Energy: 0.9947747301632306
Energy: 1.075458138757177
Energy: 0.994774730164067
Energy: 1.075458138757177
Energy: 1.0327188247202828
Energy: 1.0199078341336365
Energy: 1.032718824721119
Energy: 1.0199078341344727
Energy: 1.032718824721119
Energy: 1.0199078341336365
Energy: 1.0482878203023587
Energy: 1.0026234181074272
Energy: 1.0482878203015222
Energy: 1.0026234181082636
Energy: 1.0482878203023587
Energy: 1.0026234181074272

minimum gb energy = 0.9833946339407466 eV
minimum distance =  2.32937420248615 Angstroms
sigma value = 27


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

Energy: 1.0927217799829674
Energy: 1.0354551409364217
Energy: 1.0927217799822624
Energy: 1.0354551409343067
Energy: 1.0927217799822624
Energy: 1.0354551409357169
Energy: 1.1650724095670613
Energy: 1.0475607415568264
Energy: 1.1650724095670613
Energy: 1.0475607415582364
Energy: 1.1650724095670613
Energy: 1.0475607415582364
Energy: 1.072066993014854
Energy: 1.0593196580603927
Energy: 1.072066993014854
Energy: 1.0593196580596875
Energy: 1.0720669930141493
Energy: 1.0593196580596875
Energy: 1.0698155834017218
Energy: 1.0332343255365823
Energy: 1.0698155834003118
Energy: 1.0332343255372873
Energy: 1.0698155834010168
Energy: 1.0332343255372873
Energy: 1.0371461903331736
Energy: 1.129882300460755
Energy: 1.0371461903331736
Energy: 1.12988230046005
Energy: 1.0371461903338786
Energy: 1.12988230046005
Energy: 1.0967159929988772
Energy: 1.064410087693156
Energy: 1.0967159929988772
Energy: 1.064410087693156
Energy: 1.0967159929988772
Energy: 1.064410087693156
Energy: 1.054410326526554
Energy: 1.0360152268868585
Energy: 1.054410326526554
Energy: 1.0360152268868585
Energy: 1.054410326527259
Energy: 1.0360152268875633
Energy: 1.0756602967529212
Energy: 1.0531309518244987
Energy: 1.0756602967529212
Energy: 1.0531309518259089
Energy: 1.0756602967529212
Energy: 1.0531309518266139
Energy: 1.1288856836972043
Energy: 1.0526414932997625
Energy: 1.1288856836964993
Energy: 1.0526414933011725
Energy: 1.1288856836972043
Energy: 1.0526414932997625
Energy: 1.0694279310996406
Energy: 1.0350172178391175
Energy: 1.0694279310996406
Energy: 1.0350172178384125
Energy: 1.0694279311017556
Energy: 1.0350172178384125
Energy: 1.1203466656221637
Energy: 1.047406303363765
Energy: 1.1203466656221637
Energy: 1.047406303362355
Energy: 1.120346665620754
Energy: 1.047406303362355
Energy: 1.0370820991424134
Energy: 1.0479458855674175
Energy: 1.0370820991424134
Energy: 1.0479458855688277
Energy: 1.0370820991424134
Energy: 1.0479458855681225
Energy: 1.0553975767128132
Energy: 1.0448560729169216
Energy: 1.0553975767142234
Energy: 1.0448560729162166
Energy: 1.0553975767149284
Energy: 1.0448560729155116
Energy: 1.0530335247085247
Energy: 1.1098330593364978
Energy: 1.0530335247085247
Energy: 1.109833059335088
Energy: 1.0530335247085247
Energy: 1.1098330593364978
Energy: 1.078304004753118
Energy: 1.0826564146344142
Energy: 1.078304004753118
Energy: 1.0826564146344142
Energy: 1.078304004753118
Energy: 1.0826564146351194
Energy: 1.0363074879662113
Energy: 1.1298963196838814
Energy: 1.0363074879655063
Energy: 1.1298963196838814
Energy: 1.0363074879655063
Energy: 1.1298963196838814
Energy: 1.0475321840858869
Energy: 1.0395615289056512
Energy: 1.047532184085182
Energy: 1.0395615289056512
Energy: 1.0475321840858869
Energy: 1.0395615289070614
Energy: 1.0385605773210405
Energy: 1.0588891467789348
Energy: 1.0385605773224504
Energy: 1.0588891467782295
Energy: 1.0385605773224504
Energy: 1.0588891467782295
Energy: 1.04233640860405
Energy: 1.0475629092304013
Energy: 1.042336408601967
Energy: 1.0475629092304013
Energy: 1.042336408596327
Energy: 1.0475629092304013
Energy: 1.0927217799808522
Energy: 1.035455140935012
Energy: 1.0927217799815574
Energy: 1.0354551409420618
Energy: 1.0927217799801472
Energy: 1.0354551409357169
Energy: 1.1650724095677663
Energy: 1.0475607415589416
Energy: 1.1650724095670613
Energy: 1.0475607415575314
Energy: 1.1650724095677663
Energy: 1.0475607415575314
Energy: 1.072066993014854
Energy: 1.0593196580610977
Energy: 1.0720669930141493
Energy: 1.0593196580610977
Energy: 1.072066993014854
Energy: 1.0593196580610977
Energy: 1.0698155834017218
Energy: 1.0332343255365823
Energy: 1.0698155834017218
Energy: 1.0332343255379923
Energy: 1.0698155834024268
Energy: 1.0332343255379923
Energy: 1.0371461903345836
Energy: 1.129882300462165
Energy: 1.0371461903352883
Energy: 1.12988230046146
Energy: 1.0371461903345836
Energy: 1.12988230046146
Energy: 1.0967159930002874
Energy: 1.064410087693156
Energy: 1.0967159930009922
Energy: 1.064410087693156
Energy: 1.0967159929995822
Energy: 1.064410087693861

minimum gb energy = 1.0332343255365823 eV
minimum distance =  2.33811486917681 Angstroms
sigma value = 19


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

Energy: 0.9950311209424604
Energy: 1.0236370704716107
Energy: 0.9950311209406346
Energy: 1.0236370704716107
Energy: 0.9950311209418516
Energy: 1.023637070471002
Energy: 1.0110590644454902
Energy: 1.0237022342828135
Energy: 1.0110590644454902
Energy: 1.023702234283422
Energy: 1.0110590644448818
Energy: 1.0237022342828135
Energy: 1.0388704116549232
Energy: 1.015644146736665
Energy: 1.0388704116549232
Energy: 1.0156441467360562
Energy: 1.0388704116543148
Energy: 1.0156441467360562
Energy: 1.0155458470583025
Energy: 0.9877087549598087
Energy: 1.015545847057694
Energy: 0.9877087549598087
Energy: 1.015545847057694
Energy: 0.9877087549598087
Energy: 1.0215780999617627
Energy: 1.0157247643812575
Energy: 1.0215780999617627
Energy: 1.0157247643806488
Energy: 1.0215780999617627
Energy: 1.0157247643800404
Energy: 0.9834963056044111
Energy: 1.016516586188605
Energy: 0.9834963056044111
Energy: 1.0165165861879966
Energy: 0.9834963056044111
Energy: 1.0165165861867793
Energy: 1.0283284766959129
Energy: 1.02438351015123
Energy: 1.0283284766959129
Energy: 1.0243835101518384
Energy: 1.0283284766953045
Energy: 1.02438351015123
Energy: 1.0283719954992925
Energy: 1.037086203416189
Energy: 1.0283719954992925
Energy: 1.0370862034167976
Energy: 1.0283719954992925
Energy: 1.0370862034167976
Energy: 1.0313895207968875
Energy: 1.0181389615073981
Energy: 1.0310910839112146
Energy: 1.0181389615067897
Energy: 0.4676219244020554
Energy: 1.0181389615067897
Energy: 1.0181520134511794
Energy: 1.0120991769405083
Energy: 1.0181520134505708
Energy: 1.012099176938074
Energy: 1.0181520134511794
Energy: 1.0120991769398995
Energy: 1.0149221588125512
Energy: 1.077249169780308
Energy: 1.0149221588131598
Energy: 1.0772491697796993
Energy: 1.0149221588137685
Energy: 1.0772491697796993
Energy: 1.024736365727852
Energy: 1.0199367466820737
Energy: 1.024736365724201
Energy: 1.019936746682682
Energy: 1.0247363657235924
Energy: 1.0199367466820737
Energy: 0.9852165222714725
Energy: 1.0295880934624089
Energy: 0.985216522272081
Energy: 1.0295880934611918
Energy: 0.985216522272081
Energy: 1.0295880934618005
Energy: 1.015401662231291
Energy: 0.9812390600537818
Energy: 1.0154016622349147
Energy: 0.9812390600537818
Energy: 1.015401662231291
Energy: 0.9812390600537818
Energy: 1.0385867787174596
Energy: 1.0067942465861413
Energy: 1.038586778718068
Energy: 1.0067942465873587
Energy: 1.0385867787174596
Energy: 1.0067942465867499
Energy: 1.064935013206457
Energy: 1.013933186006059
Energy: 1.0649350132070656
Energy: 1.013933186006059
Energy: 1.0649350132058486
Energy: 1.013933186006059
Energy: 1.0153386345440496
Energy: 1.0432208906982807
Energy: 1.015338634544658
Energy: 1.0432208906982807
Energy: 1.015338634543441
Energy: 1.043220890697672
Energy: 1.0435079037038204
Energy: 1.0256773972300781
Energy: 1.0435079037038204
Energy: 1.02567739722947
Energy: 1.0435079037038204
Energy: 1.0256773972300781
Energy: 1.0075672973774907
Energy: 1.016499732359055
Energy: 1.0075672973780994
Energy: 1.016499732359055
Energy: 1.007567297376882
Energy: 1.0164997323584468
Energy: 1.0164994537875782
Energy: 1.0023643455807356
Energy: 1.0164994537881866
Energy: 1.0023643455807356
Energy: 1.0164994537881866
Energy: 1.0023643455807356
Energy: 1.0218940897564195
Energy: 1.037107515902362
Energy: 1.0218940897558109
Energy: 1.037107515902362
Energy: 1.0218940897558109
Energy: 1.037107515902362
Energy: 1.0670479992293007
Energy: 1.0284169891927657
Energy: 1.06704799419154
Energy: 1.0284169891933739
Energy: 1.0670479744103023
Energy: 1.0284169891927657
Energy: 1.0229934316340819
Energy: 1.0153763358755017
Energy: 1.0229934316346903
Energy: 1.0153763358761103
Energy: 1.0229934316334732
Energy: 1.0153763358761103
Energy: 1.0234445020494272
Energy: 1.07088881254776
Energy: 1.0234445020494272
Energy: 1.07088881254776
Energy: 1.0234445020494272
Energy: 1.07088881254776
Energy: 0.951331397275224
Energy: 1.0134439851895762
Energy: 0.9513313972758326
Energy: 1.0134439851901846
Energy: 0.9513313972758326
Energy: 1.0134439851895762
Energy: 1.0068206390885872
Energy: 1.0186354199349725
Energy: 1.0068206390885872
Energy: 1.0186354199367982
Energy: 1.0068206390885872
Energy: 1.018635419934364
Energy: 1.0290656735364845
Energy: 1.005643687428213
Energy: 1.0290656735364845
Energy: 1.005643687428213
Energy: 1.0290656735364845
Energy: 1.005643687428213
Energy: 0.9793884484427474
Energy: 1.027809641967855
Energy: 0.9793884484415303
Energy: 1.027809641967855
Energy: 0.9793884484427474
Energy: 1.027809641967855
Energy: 1.0363037690125532
Energy: 1.0163755426334113
Energy: 1.0363037690119445
Energy: 1.0163755426340197
Energy: 1.0363037690119445
Energy: 1.0163755426334113

minimum gb energy = 0.4676219244020554 eV
minimum distance =  2.31419920648995 Angstroms
sigma value = 101


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

Energy: 1.0916159827958405
Energy: 0.9401749082390481
Energy: 1.0916159828049343
Energy: 0.9401749082390481
Energy: 1.0916159827963752
Energy: 0.940174908239583
Energy: 0.9930708328241232
Energy: 1.0076033228888435
Energy: 0.9930708328230534
Energy: 1.0076033228883086
Energy: 0.993070832827333
Energy: 1.0076033228877737
Energy: 0.9852825071754506
Energy: 1.0027197770091159
Energy: 0.9852825071749158
Energy: 1.002719777008581
Energy: 0.9852825071754506
Energy: 1.002719777008581
Energy: 0.9933984359107421
Energy: 1.1246615832772506
Energy: 0.9933984359112771
Energy: 1.1246615832772506
Energy: 0.9933984359107421
Energy: 1.1246615832767157
Energy: 0.9958938749906788
Energy: 0.9702573223979536
Energy: 0.9958938749912136
Energy: 0.9702573223984886
Energy: 0.9958938749912136
Energy: 0.9702573223979536
Energy: 0.9278289391908368
Energy: 1.0010242171664732
Energy: 0.9278289391913717
Energy: 1.0010242171654031
Energy: 0.9278289391913717
Energy: 1.0010242171659383
Energy: 0.9965859752136508
Energy: 1.0018938681213199
Energy: 0.9965859752152556
Energy: 1.0018938681218548
Energy: 0.9965859752147206
Energy: 1.00189386812025
Energy: 0.9993390358267854
Energy: 1.0352431363813597
Energy: 0.9993390358267854
Energy: 1.0352431363824297
Energy: 0.9993390358267854
Energy: 1.0352431363818946
Energy: 0.9288995972046402
Energy: 0.9993400919388081
Energy: 0.92889959720571
Energy: 0.9993400919382732
Energy: 0.9288995972078499
Energy: 0.9993400919382732
Energy: 0.9954912780481893
Energy: 1.0063865595704222
Energy: 0.9954912780481893
Energy: 1.0063865595720272
Energy: 0.9954912780497942
Energy: 1.0063865595704222
Energy: 0.9985463804310122
Energy: 1.17053676502461
Energy: 0.9985463804310122
Energy: 1.1705367650230052
Energy: 0.9985463804310122
Energy: 1.1705367650230052
Energy: 0.9879717910250161
Energy: 1.0083828092954372
Energy: 0.9879717910234111
Energy: 1.0083828092949023
Energy: 0.9879717910234111
Energy: 1.0083828092943674
Energy: 0.9184722290534184
Energy: 1.0002901945606428
Energy: 0.9184722290528835
Energy: 1.000290194560108
Energy: 0.9184722290534184
Energy: 1.000290194561178
Energy: 0.9988345281843207
Energy: 1.0288733252600628
Energy: 0.9988345281848557
Energy: 1.0288733252595277
Energy: 0.9988345281843207
Energy: 1.0288733252589928
Energy: 0.9917636405108253
Energy: 0.9679905705629303
Energy: 0.9917636405124302
Energy: 0.9679905705623952
Energy: 0.9917636405102902
Energy: 0.9679905705623952
Energy: 0.98573216890981
Energy: 1.0145718337644218
Energy: 0.9857321689124849
Energy: 1.0145718337633518
Energy: 0.9857321689103451
Energy: 1.0145718337633518
Energy: 0.9931218796172855
Energy: 1.0103755337074327
Energy: 0.9931218796178206
Energy: 1.0103755337074327
Energy: 0.9931218796167508
Energy: 1.0103755337079676
Energy: 0.9985049951064987
Energy: 0.9170405298047851
Energy: 0.9985049951059637
Energy: 0.9170405298042502
Energy: 0.9985049951059637
Energy: 0.9170405298042502
Energy: 0.9304290207007884
Energy: 0.9998714299699739
Energy: 0.9304290207007884
Energy: 0.9998714299699739
Energy: 0.9304290207007884
Energy: 0.9998714299763933
Energy: 1.0027424896341433
Energy: 1.0063764653236116
Energy: 1.0027424896341433
Energy: 1.0063764653246816
Energy: 1.0027424896341433
Energy: 1.0063764653236116
Energy: 1.0077988304307273
Energy: 1.1023628495803177
Energy: 1.0077988304312624
Energy: 1.1023628495813873
Energy: 1.0077988304312624
Energy: 1.1023628495808524
Energy: 0.9651176813050181
Energy: 0.9976952456188685
Energy: 0.9651176813039483
Energy: 0.9976952456172636
Energy: 0.9651176813050181
Energy: 0.9976952456177985
Energy: 0.9922158288206052
Energy: 1.000492447253226
Energy: 0.9922158288190004
Energy: 1.000492447253226
Energy: 0.9922158288206052
Energy: 1.000492447253226
Energy: 0.9936378591837335
Energy: 1.0530851652244064
Energy: 0.9936378591837335
Energy: 1.1498380693525043
Energy: 0.9936378591837335
Energy: 1.1498380693525043
Energy: 1.0040660849098133
Energy: 1.0083489456306896
Energy: 1.0040660849092784
Energy: 1.0083489456322943
Energy: 1.0040660849092784
Energy: 1.0083489456317594
Energy: 0.9196582872054869
Energy: 1.01387827827397
Energy: 0.919658287204952
Energy: 1.013878278273435
Energy: 0.9196582872060218
Energy: 1.01387827827397
Energy: 0.9959464327906631
Energy: 1.005821213685102
Energy: 0.9959464327901283
Energy: 1.005821213685102
Energy: 0.9959464327901283
Energy: 1.005821213684567
Energy: 0.9969510886717186
Energy: 0.9651600509177028
Energy: 0.9969510886717186
Energy: 0.9651600509187727
Energy: 0.9969510886722535
Energy: 0.9651600509182379
Energy: 1.1335127988924225
Energy: 0.9991305621024223
Energy: 1.1335127988929574
Energy: 0.9991305621029574
Energy: 1.1335127988940275
Energy: 0.9991305621024223
Energy: 0.9981141838037594
Energy: 1.0185865639692895
Energy: 0.9981141838037594
Energy: 1.0185865639682194
Energy: 0.9981141838032243
Energy: 1.0185865639682194
Energy: 0.9940103635563302
Energy: 0.9503462606024226
Energy: 0.9940103635557953
Energy: 0.9503462606029575
Energy: 0.9940103635563302
Energy: 0.9503462606024226
Energy: 0.9898234273392124
Energy: 0.9974661466251327
Energy: 0.9898234273386775
Energy: 0.9974661466262026
Energy: 0.9898234273397473
Energy: 0.9974661466251327
Energy: 0.9937728917650035
Energy: 0.9989083619768789
Energy: 0.9937728917650035
Energy: 0.9989083619768789
Energy: 0.9937728917650035
Energy: 0.9989083619768789

minimum gb energy = 0.9170405298042502 eV
minimum distance =  2.32313690817629 Angstroms
sigma value = 33


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

Energy: 0.01859245979212237
Energy: 0.7435362540076013
Energy: 0.01859245979212237
Energy: 0.7435362540080458
Energy: 0.01859245979212237
Energy: 0.7435362540080458
Energy: 0.019059580115343724
Energy: -0.5127380042918025
Energy: 0.019059580115343724
Energy: -0.5127380042909137
Energy: 0.019059580115343724
Energy: -0.5127380042913581
Energy: 0.7872787471881726
Energy: -0.5105817632425604
Energy: 0.7872787471881726
Energy: -0.5105817632430051
Energy: 0.7872787471899011
Energy: -0.5105817632430051
Energy: 0.01905958011578819
Energy: -0.5127380042913581
Energy: 0.01905958011489926
Energy: -0.5127380042913581
Energy: 0.01905958011489926
Energy: -0.5127380042913581

minimum gb energy = -0.5127380042918025 eV
minimum distance =  2.46747347989479 Angstroms
sigma value = 1