Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_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=3.611098572611809
cohesive_energy=4.242432871290793
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: 0.016433654844978322
Energy: 1.213727427997124
Energy: 0.016433654844978322
Energy: 1.213727427997124
Energy: 0.016433654844978322
Energy: 1.2137274279977526
Energy: 1.213727427997124
Energy: 0.016790769308963772
Energy: 1.2137274279968098
Energy: 0.016790769308963772
Energy: 1.2137274279974382
Energy: 0.016790769308963772
Energy: 0.016433654844978322
Energy: 1.213727427997124
Energy: 0.016433654845292613
Energy: 1.2137274279968098
Energy: 0.016433654845292613
Energy: 1.213727427997124
Energy: 1.213727427997124
Energy: 0.01679076930802091
Energy: 1.213727427997124
Energy: 0.01679076930864949
Energy: 1.213727427997124
Energy: 0.016790769308335198
Energy: 0.016433654844978322
Energy: 1.213727427997124
Energy: 0.016433654845292613
Energy: 1.2137274279968098
Energy: 0.016433654845292613
Energy: 1.213727427997124
Energy: 1.213727427997124
Energy: 0.01679076930864949
Energy: 1.213727427997124
Energy: 0.016790769308335198
Energy: 1.213727427997124
Energy: 0.01679076930864949

minimum gb energy = 0.016433654844978322 eV
minimum distance =  2.55091212021297 Angstroms
sigma value = 1


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

Energy: 1.1961064233468435
Energy: 1.0230171341012546
Energy: 1.1961064233460867
Energy: 1.0230171341012546
Energy: 1.1961064233453305
Energy: 1.0230171341012546
Energy: 1.3587738279916146
Energy: 0.9247004785318479
Energy: 1.3587738279938841
Energy: 0.9247004785318479
Energy: 1.3587738279946406
Energy: 0.9247004785318479
Energy: 1.067446611336037
Energy: 1.076874248718244
Energy: 1.0674466113383068
Energy: 1.07687424872354
Energy: 1.0674466113367937
Energy: 1.0768742484672154
Energy: 1.1950739665791246
Energy: 1.0029120727896965
Energy: 1.1950739665791246
Energy: 1.0029120727904528
Energy: 1.195073966579881
Energy: 1.0029120727904528
Energy: 1.0790427031667331
Energy: 1.13893522082687
Energy: 1.0790427031674898
Energy: 1.1389352208276264
Energy: 1.0790427031659768
Energy: 1.138935220828383
Energy: 1.1142573816287478
Energy: 0.991576892032798
Energy: 1.1142573816295045
Energy: 0.991576892034311
Energy: 1.1142573816287478
Energy: 0.991576892034311
Energy: 1.0716911925405503
Energy: 1.145120765245075
Energy: 1.0716911925292025
Energy: 1.1451207652390225
Energy: 1.0716911925148973
Energy: 1.1451207652390225
Energy: 1.0044555581811943
Energy: 1.240383701175501
Energy: 1.0044555581804377
Energy: 1.2403837011732315
Energy: 1.0044555581804377
Energy: 1.240383701175501
Energy: 1.1389142136316803
Energy: 1.1467554724721876
Energy: 1.1389142136309238
Energy: 1.1467554724737006
Energy: 1.1389142136309238
Energy: 1.1467554724729438
Energy: 0.9218206851952265
Energy: 1.2257287713123888
Energy: 0.9218206851937135
Energy: 1.2257280789082243
Energy: 0.92182068519447
Energy: 1.2257268583782168
Energy: 1.2824962970160025
Energy: 0.9985715914250336
Energy: 1.2824962970175156
Energy: 0.9985715914250336
Energy: 1.2824962970167588
Energy: 0.9985715914250336
Energy: 0.8733789398048168
Energy: 1.149523566708092
Energy: 0.8733789398048168
Energy: 1.1495234244060768
Energy: 0.8733789398048168
Energy: 1.1495230079233694
Energy: 1.23417351506429
Energy: 0.8609436272099193
Energy: 1.234173515065803
Energy: 0.8609436272099193
Energy: 1.2341735150620206
Energy: 0.8609436272099193
Energy: 1.0034284596985017
Energy: 1.0853799758029035
Energy: 1.003428459697745
Energy: 1.085379975651667
Energy: 1.0034284597000147
Energy: 1.0853799753620557
Energy: 1.3123781619550963
Energy: 0.9259274652071832
Energy: 1.3123781626749647
Energy: 0.9259274652079397
Energy: 1.3123781627324604
Energy: 0.9259274652086961
Energy: 1.3230134010920174
Energy: 1.1329143122150112
Energy: 1.3230134010897479
Energy: 1.1329143122172807
Energy: 1.3230134010905046
Energy: 1.1329143122172807
Energy: 1.130753600562665
Energy: 1.0838028432081184
Energy: 1.1307536005649346
Energy: 1.0838028432066054
Energy: 1.1307536005649346
Energy: 1.0838028432058486
Energy: 1.1289812516990858
Energy: 1.0234475748440093
Energy: 1.1289812516990858
Energy: 1.023447574831217
Energy: 1.1289812516990858
Energy: 1.0234475748432528
Energy: 1.0033686761074647
Energy: 1.0025601775166733
Energy: 1.0033686761074647
Energy: 1.002560177403263
Energy: 1.0033686761089777
Energy: 1.0025601772028527
Energy: 1.1005693245940533
Energy: 0.9909983929838111
Energy: 1.1005693245940533
Energy: 0.9909983929838111
Energy: 1.1005693245948098
Energy: 0.9909983929815415
Energy: 0.9417100348625647
Energy: 1.2167546878903444
Energy: 0.9417100348625647
Energy: 1.2167546878911009
Energy: 0.9417100348632526
Energy: 1.2167546878926139
Energy: 1.1404778475114885
Energy: 1.152240583161302
Energy: 1.1404778475137582
Energy: 1.152240583162815
Energy: 1.1404778475130017
Energy: 1.1522405831620588
Energy: 0.8544394291434158
Energy: 1.428180081305906
Energy: 0.8544394291434158
Energy: 1.428180081305906
Energy: 0.8544394291426591
Energy: 1.428180081305906

minimum gb energy = 0.8544394291426591 eV
minimum distance =  2.33861326376728 Angstroms
sigma value = 33


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

Energy: 1.2268603483372211
Energy: 1.2163490317062178
Energy: 1.2268603483367906
Energy: 1.2163490317049268
Energy: 1.2268603483363605
Energy: 1.2163490317049268
Energy: 1.2585396342887365
Energy: 1.0386462722548437
Energy: 1.258539634290888
Energy: 1.0386462722548437
Energy: 1.2585396342930395
Energy: 1.038646272253983
Energy: 0.8749070306713318
Energy: 1.037182278561942
Energy: 0.8749070306721926
Energy: 1.037182278561942
Energy: 0.8749070306713318
Energy: 1.0371822785443385
Energy: 1.0972506446394406
Energy: 1.0977804514144984
Energy: 1.0972506446403012
Energy: 1.0977803740401733
Energy: 1.09725064463858
Energy: 1.0977802085510113
Energy: 1.0393270832327657
Energy: 1.0956282906608668
Energy: 1.039327083231905
Energy: 1.0956282906608668
Energy: 1.0393270832323354
Energy: 1.095628290662158
Energy: 1.037436896756406
Energy: 0.8750964486576811
Energy: 0.8105792501450834
Energy: 0.8750964486576811
Energy: 0.8107379529456239
Energy: 0.8750964486572508
Energy: 1.2178715548636336
Energy: 1.1986853092017442
Energy: 1.2178715522540837
Energy: 1.1986853092008836
Energy: 1.217871545845766
Energy: 1.1986853092013137
Energy: 0.8638796473133231
Energy: 1.1928494745371852
Energy: 0.8638796473120324
Energy: 1.1928494745350726
Energy: 0.8638796473128929
Energy: 1.1928494745346423
Energy: 1.0861775711966117
Energy: 0.8791159042538327
Energy: 1.0861775711966117
Energy: 0.8791159042534024
Energy: 1.0861775711987636
Energy: 0.8791159042542628
Energy: 0.8372453048582653
Energy: 1.114906637306041
Energy: 0.8372453048586955
Energy: 1.1148887683842439
Energy: 0.8372453048578349
Energy: 1.1148488372617023
Energy: 1.1163307485326097
Energy: 0.8410615668241922
Energy: 1.1163304828883307
Energy: 0.8410615668241922
Energy: 1.1163299879723039
Energy: 0.8410615668246224
Energy: 0.8758465316199603
Energy: 0.9289064239048934
Energy: 0.8758465316199603
Energy: 0.9289064239048934
Energy: 0.8758465316199603
Energy: 0.9289064239044632
Energy: 1.2497631800587075
Energy: 0.8630791476662515
Energy: 1.2497631800492406
Energy: 0.8630791476671121
Energy: 1.2497631800328888
Energy: 0.8630791476671121
Energy: 1.1934536990128537
Energy: 1.2185511143235566
Energy: 1.193453699011993
Energy: 1.2185511139914755
Energy: 1.193453699011993
Energy: 1.2185511131389943
Energy: 1.0609881883505896
Energy: 1.0376609057714412
Energy: 1.060988188350159
Energy: 1.0376609057692896
Energy: 1.060988188349729
Energy: 1.03766090576972
Energy: 0.874883784142165
Energy: 1.0372479902727736
Energy: 0.8748837841417347
Energy: 1.0372479902714826
Energy: 0.8748837841425954
Energy: 1.037247990272343
Energy: 1.098269177036252
Energy: 1.098416165717947
Energy: 1.0982691769700237
Energy: 1.0984161657175164
Energy: 1.0982691768126087
Energy: 1.0984161657162257
Energy: 1.0370046458841284
Energy: 0.874848516792139
Energy: 1.0370046458867104
Energy: 0.8748485167904179
Energy: 1.0370046458643734
Energy: 0.8748485167899875
Energy: 1.0388132778267651
Energy: 1.0606181088958013
Energy: 1.0388132778259047
Energy: 1.0606181088970923
Energy: 1.0388132778263348
Energy: 1.0606181088734645
Energy: 1.2191032023915624
Energy: 1.1947667706507126
Energy: 1.2191032023915624
Energy: 1.1947667706507126
Energy: 1.2191032023937138
Energy: 1.1947667706507126
Energy: 0.8621010773054666
Energy: 1.2588003552066005
Energy: 0.8621010773054666
Energy: 1.2588003551924003
Energy: 0.8621010773054666
Energy: 1.2588003551623177
Energy: 1.0373715275437787
Energy: 0.8790547084134736
Energy: 1.0373715275403361
Energy: 0.8790547084139039
Energy: 1.037371527527427
Energy: 0.8790547084130432
Energy: 0.8377347260791612
Energy: 1.1143635559649239
Energy: 0.8377347260791612
Energy: 1.1143635235774847
Energy: 0.8377347260791612
Energy: 1.1143634456741143
Energy: 1.1190437291079933
Energy: 1.0386355215132828
Energy: 1.1190437291067024
Energy: 1.038635521513713
Energy: 1.1190437291079933
Energy: 1.038635521513713
Energy: 0.8749379751035786
Energy: 1.0881221667905876
Energy: 0.8749379751031484
Energy: 1.0881221667888663
Energy: 0.8749379751031484
Energy: 1.0881221667880059
Energy: 1.1925220680833037
Energy: 1.2242757039747547
Energy: 1.1925220680833037
Energy: 1.2242757039756154
Energy: 1.1925220680828732
Energy: 1.2242757039760457
Energy: 1.192529304812604
Energy: 1.2241706520989282
Energy: 1.1925293048117434
Energy: 1.2241706520989282
Energy: 1.192529304813895
Energy: 1.2241706520984976
Energy: 0.8750293070391822
Energy: 1.088258200192859
Energy: 0.8750293070391822
Energy: 1.0882582001919983
Energy: 0.875029307040043
Energy: 1.0882582001932892
Energy: 1.118969833365864
Energy: 1.0387736090486583
Energy: 1.1189698333641427
Energy: 1.038773609048228
Energy: 1.1189698333641427
Energy: 1.038773609048228
Energy: 0.8375149324773853
Energy: 1.1146841327768116
Energy: 0.8375149324769549
Energy: 1.1146840734489012
Energy: 0.8375149324773853
Energy: 1.1146839335302625
Energy: 1.037459064771339
Energy: 0.878953029812313
Energy: 1.0374590620826514
Energy: 0.8789530298114524
Energy: 1.037459055677776
Energy: 0.8789530298114524
Energy: 0.8620710738142727
Energy: 1.25907843331775
Energy: 0.8620710738138425
Energy: 1.2590784333009677
Energy: 0.8620710738134122
Energy: 1.2590784332781613
Energy: 1.219319146476216
Energy: 1.1956520367465688
Energy: 1.2193191464796584
Energy: 1.1956520367457082
Energy: 1.2193191464779374
Energy: 1.1956520367465688
Energy: 1.038739852354912
Energy: 1.060938898944208
Energy: 1.0387398523527607
Energy: 1.0609388989493715
Energy: 1.038739852353191
Energy: 1.0609388989476505
Energy: 1.0372421933270835
Energy: 0.8748391364256644
Energy: 1.037242193325362
Energy: 0.8748391364256644
Energy: 1.0372421933232105
Energy: 0.8748391364248039
Energy: 1.0983217624005577
Energy: 1.0988343547475408
Energy: 1.098321762300335
Energy: 1.0988343547492618
Energy: 1.0983217621188226
Energy: 1.0988343547496924
Energy: 0.8748617571280974
Energy: 1.0371926310792707
Energy: 0.8748617571272367
Energy: 1.03719263107841
Energy: 0.8748617571272367
Energy: 1.0371926310771191
Energy: 1.0609994643409697
Energy: 1.037635591194895
Energy: 1.0609994643431213
Energy: 1.0376355911944644
Energy: 1.0609994643396787
Energy: 1.0376355911940343
Energy: 1.193419173449379
Energy: 1.2185753130086454
Energy: 1.193419173448949
Energy: 1.218575312563041
Energy: 1.193419173448949
Energy: 1.2185753114683742
Energy: 1.2502738229981318
Energy: 0.8631189327117292
Energy: 1.2502738229964105
Energy: 0.8631189327130202
Energy: 1.250273822985653
Energy: 0.8631189327130202
Energy: 0.8760637401166644
Energy: 0.92900959315371
Energy: 0.8760637401162341
Energy: 0.92900959315371
Energy: 0.8760637401162341
Energy: 0.92900959315371

minimum gb energy = 0.8105792501450834 eV
minimum distance =  2.37431002982021 Angstroms
sigma value = 51


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

Energy: 1.138687333853758
Energy: 1.1193223756798774
Energy: 1.138687333853758
Energy: 1.1193223756798774
Energy: 1.138687333853758
Energy: 1.1193223756798774
Energy: 1.173777808172335
Energy: 1.0031363587724331
Energy: 1.1737743787817154
Energy: 1.0031363587724331
Energy: 1.173765436149221
Energy: 1.00313635877343
Energy: 0.9880817963950151
Energy: 0.555006499982155
Energy: 0.9880817963950151
Energy: 0.5546052637375398
Energy: 0.9880817963950151
Energy: 0.5550571609420141
Energy: 1.07815177052466
Energy: 0.8879815476930508
Energy: 1.078151770523663
Energy: 0.8879815476930508
Energy: 1.078151770525657
Energy: 0.8879815476930508
Energy: 1.1151075243312671
Energy: 1.0869343816015908
Energy: 1.1151075243322641
Energy: 1.0869343816015908
Energy: 1.1151075243322641
Energy: 1.0869343816015908
Energy: 1.1433730732686018
Energy: 1.087000912044293
Energy: 1.1433730732686018
Energy: 1.08700091204529
Energy: 1.1433730732676048
Energy: 1.08700091204529
Energy: 0.9631173625390537
Energy: 1.0874091545475604
Energy: 0.9631173625390537
Energy: 1.0874091545465632
Energy: 0.9631173625380566
Energy: 1.0874091545455662
Energy: 0.9900719915278271
Energy: 1.087451698929523
Energy: 0.9900719915278271
Energy: 1.0874516975372759
Energy: 0.9900719915288241
Energy: 1.0874516944409407
Energy: 1.2561625290975638
Energy: 0.8839500076419241
Energy: 1.2561625287218685
Energy: 0.8839500076419241
Energy: 1.2561625274542036
Energy: 0.8839500076419241
Energy: 0.9154685190966478
Energy: 1.2771762999534668
Energy: 0.9154685190966478
Energy: 1.2771762999554608
Energy: 0.9154685190966478
Energy: 1.2771762999544638
Energy: 1.2544014332895737
Energy: 0.8914923314567755
Energy: 1.2544014296749697
Energy: 0.8914923314557786
Energy: 1.2544014215000436
Energy: 0.8914923314557786
Energy: 1.1347430422084757
Energy: 1.120970285800008
Energy: 1.1347430422084757
Energy: 1.1209702857990562
Energy: 1.1347430422084757
Energy: 1.1209702857950683
Energy: 1.325437778251634
Energy: 1.0049530655544716
Energy: 1.325437778251634
Energy: 1.0049530655544716
Energy: 1.325437778252631
Energy: 1.0049530655554684
Energy: 1.0635398570073706
Energy: 1.0189132788180864
Energy: 1.0635398570053765
Energy: 1.0189132788180864
Energy: 1.0635398570073706
Energy: 1.0189132788180864
Energy: 1.0988296285569366
Energy: 1.1204646569799934
Energy: 1.0988296285569366
Energy: 1.1204646569799934
Energy: 1.0988296285569366
Energy: 1.1204646569799934
Energy: 1.1389618963574537
Energy: 1.0869029542255038
Energy: 1.1389618963574537
Energy: 1.0869029542255038
Energy: 1.1389618963564567
Energy: 1.0869029542255038
Energy: 1.1144810153539442
Energy: 1.2099422743904904
Energy: 1.1144810153539442
Energy: 1.2099422743884962
Energy: 1.1144810153539442
Energy: 1.2099422743904904
Energy: 1.0334693253367624
Energy: 1.0885392805939742
Energy: 1.0334693253367624
Energy: 1.0885392805939742
Energy: 1.0334693253367624
Energy: 1.0885392805939742

minimum gb energy = 0.5546052637375398 eV
minimum distance =  2.30223206338272 Angstroms
sigma value = 19


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

Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954130682
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.9515190908577026
Energy: 1.132081939046733
Energy: 0.9515190908577026
Energy: 1.1320819390473245
Energy: 0.9515190908571113
Energy: 1.1320819390479155
Energy: 0.8038004472830924
Energy: 1.1298725530041842
Energy: 0.8038004472830924
Energy: 1.1298725530030012
Energy: 0.8038004472836839
Energy: 1.1298725530041842
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.8450515738818094
Energy: 0.8658733344501404
Energy: 0.8450515738818094
Energy: 0.8658733344501404
Energy: 0.8450515738818094
Energy: 0.8658733344501404
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.909655443260997
Energy: 0.8040271358902994
Energy: 0.909655443260997
Energy: 0.8040271358908908
Energy: 0.909655443260997
Energy: 0.8040271358902994
Energy: 0.8037825042499877
Energy: 1.1298362461233176
Energy: 0.8037825042493962
Energy: 1.1298362461239089
Energy: 0.8037825042499877
Energy: 1.1298362461239089
Energy: 0.9504092933458204
Energy: 1.1321065925660083
Energy: 0.950409293345229
Energy: 1.1321065925665998
Energy: 0.9504092933458204
Energy: 1.1321065925665998
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.9515190908588855
Energy: 1.1320819390473245
Energy: 0.9515190908582941
Energy: 1.1320819390479155
Energy: 0.95151909085652
Energy: 1.1320819390479155
Energy: 0.8038004472830924
Energy: 1.1298725530030012
Energy: 0.8038004472830924
Energy: 1.1298725530030012
Energy: 0.8038004472836839
Energy: 1.1298725530035927
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.9093261498300864
Energy: 0.8040260035097696
Energy: 0.8450515738818094
Energy: 0.865873334449549
Energy: 0.8450515738818094
Energy: 0.865873334449549
Energy: 0.8450515738818094
Energy: 0.865873334449549
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.8450771799194504
Energy: 0.8659395769067845
Energy: 0.9096554432598141
Energy: 0.8040271358902994
Energy: 0.909655443260997
Energy: 0.8040271358902994
Energy: 0.909655443260997
Energy: 0.8040271358908908
Energy: 0.8037825042499877
Energy: 1.1298362461233176
Energy: 0.8037825042493962
Energy: 1.1298362461245002
Energy: 0.8037825042499877
Energy: 1.1298362461239089
Energy: 0.9504092933464118
Energy: 1.1321065925665998
Energy: 0.9504092933458204
Energy: 1.1321065925665998
Energy: 0.9504092933446375
Energy: 1.1321065925665998
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.9515190908582941
Energy: 1.1320819390473245
Energy: 0.9515190908577026
Energy: 1.1320819390473245
Energy: 0.9515190908582941
Energy: 1.1320819390473245
Energy: 0.8038004472830924
Energy: 1.1298725530035927
Energy: 0.8038004472830924
Energy: 1.1298725530030012
Energy: 0.8038004472830924
Energy: 1.1298725530035927
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.9093261498283123
Energy: 0.8040260035103609
Energy: 0.9093261498294949
Energy: 0.8040260035097696
Energy: 0.8450515738818094
Energy: 0.865873334449549
Energy: 0.845051573881245
Energy: 0.865873334449549
Energy: 0.8450515738818094
Energy: 0.865873334449549
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.845077179918859
Energy: 0.8659395769067845
Energy: 0.8450771799194504
Energy: 0.8659395769067845
Energy: 0.9096554432598141
Energy: 0.8040271358908908
Energy: 0.9096554432604056
Energy: 0.8040271358902994
Energy: 0.909655443260997
Energy: 0.8040271358902994
Energy: 0.8037825042499877
Energy: 1.1298362461221345
Energy: 0.8037825042499877
Energy: 1.1298362461239089
Energy: 0.8037825042499877
Energy: 1.1298362461239089
Energy: 0.9504092933446375
Energy: 1.1321065925660083
Energy: 0.9504092933458204
Energy: 1.1321065925665998
Energy: 0.9504092933464118
Energy: 1.1321065925660083
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.8698480780802207
Energy: 0.8493446954124768
Energy: 0.9515190908582941
Energy: 1.1320819390473245
Energy: 0.9515190908588855
Energy: 1.1320819390473245
Energy: 0.9515190908588855
Energy: 1.1320819390473245
Energy: 0.8038004472830924
Energy: 1.1298725530035927
Energy: 0.8038004472836839
Energy: 1.1298725530018185
Energy: 0.8038004472836839
Energy: 1.12987255300241

minimum gb energy = 0.8037825042493962 eV
minimum distance =  2.32153179819933 Angstroms
sigma value = 27


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

Energy: 0.8478951596917665
Energy: 0.8114736863656957
Energy: 0.8478951596917665
Energy: 0.8114736863656957
Energy: 0.8478951596917665
Energy: 0.8114736863656957
Energy: 1.0027553232245436
Energy: 0.8348512757479928
Energy: 1.0027553231912252
Energy: 0.8348512757479928
Energy: 1.0027553230290436
Energy: 0.8348512757465442
Energy: 0.8329703763316498
Energy: 0.9553515803112728
Energy: 0.8329703763055745
Energy: 0.955351580309824
Energy: 0.8329703763432389
Energy: 0.955351580309824
Energy: 1.0064118891439322
Energy: 0.7890395229979168
Energy: 1.0064118891439322
Energy: 0.7890395229979168
Energy: 1.0064118891439322
Energy: 0.7890395229979168
Energy: 1.0037295200774015
Energy: 0.788951674915931
Energy: 1.0037295200774015
Energy: 0.7889516749144824
Energy: 1.0037295200759528
Energy: 0.7889516749144824
Energy: 1.0215327163500245
Energy: 1.0772157604642336
Energy: 1.0215327163514731
Energy: 1.0772157604627848
Energy: 1.0215327163500245
Energy: 1.0772157604642336
Energy: 0.9543194452724728
Energy: 0.8379181235917
Energy: 0.9543194452724728
Energy: 0.8379181235917
Energy: 0.9543194452710241
Energy: 0.8379181235917
Energy: 0.840630385192703
Energy: 0.8139311880933813
Energy: 0.840630385192703
Energy: 0.8139311880933813
Energy: 0.840630385192703
Energy: 0.8139311880948298
Energy: 1.0045952056155512
Energy: 0.8324947340036138
Energy: 1.0045952056054437
Energy: 0.8324947339688467
Energy: 1.0045952055822656
Energy: 0.8324947340065113
Energy: 0.9901572834972421
Energy: 1.0265253919635702
Energy: 0.9901572834972421
Energy: 1.0265253919621213
Energy: 0.9901572834972421
Energy: 1.0265253919592243
Energy: 0.812324143205642
Energy: 0.7904315393603505
Energy: 0.812324143205642
Energy: 0.7904315393603505
Energy: 0.812324143205642
Energy: 0.7904315393603505
Energy: 1.1201021684980275
Energy: 0.9839040665627417
Energy: 1.1201021684980275
Energy: 0.9839040665598444
Energy: 1.1201021684980275
Energy: 0.9839040665497041

minimum gb energy = 0.7889516749144824 eV
minimum distance =  2.29673115634478 Angstroms
sigma value = 9


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

Energy: 0.9448433462757873
Energy: 0.828572682438128
Energy: 0.9448433462761943
Energy: 0.828572682438128
Energy: 0.9448433462766013
Energy: 0.828572682439349
Energy: 0.8206528834537629
Energy: 0.7623908069176176
Energy: 0.820652883456612
Energy: 0.7623908069176176
Energy: 0.8206528834228655
Energy: 0.7623908069184316
Energy: 0.711017657428221
Energy: 0.8252630737309397
Energy: 0.711017657427407
Energy: 0.8252630737309397
Energy: 0.7110176574257787
Energy: 0.8252630737346028
Energy: 0.7629902618140856
Energy: 0.7286087835016861
Energy: 0.7629902618136786
Energy: 0.728608783500872
Energy: 0.7629902618136786
Energy: 0.7286087835000579
Energy: 0.8171514017822177
Energy: 0.7812037477283097
Energy: 0.8171514017826247
Energy: 0.7812037477279026
Energy: 0.8171514017822177
Energy: 0.7812037477291237
Energy: 0.8499379162279896
Energy: 0.8357738575825553
Energy: 0.8499379161861024
Energy: 0.835773833481108
Energy: 0.8499379161051401
Energy: 0.8357737805311157
Energy: 0.817789267315783
Energy: 0.8371843849179014
Energy: 0.8177892672921753
Energy: 0.8371843849187154
Energy: 0.817789267276301
Energy: 0.8371843849195294
Energy: 0.7101853564695565
Energy: 0.8191334645781689
Energy: 0.7101853564695565
Energy: 0.8191334645785759
Energy: 0.7101853564691494
Energy: 0.819133464579797
Energy: 0.7863823169354229
Energy: 0.7814630584998049
Energy: 0.7863822334899249
Energy: 0.7814630584989908
Energy: 0.7863820941150375
Energy: 0.7814630584993979
Energy: 0.7841853656657762
Energy: 0.8545373373421326
Energy: 0.7841853655901053
Energy: 0.8545373372452961
Energy: 0.7841853651726761
Energy: 0.8545373371224465
Energy: 0.760148131390535
Energy: 0.7372027508572652
Energy: 0.7601481313933842
Energy: 0.737202750856858
Energy: 0.7601481313982686
Energy: 0.7372027508576721
Energy: 0.7517422428644374
Energy: 0.8585956583875528
Energy: 0.7517422428640305
Energy: 0.8585956569904355
Energy: 0.7517422428640305
Energy: 0.8585956525366224
Energy: 0.9446221899768698
Energy: 0.8114748800745109
Energy: 0.6386550654301445
Energy: 0.811474880076953
Energy: 0.6379362778356846
Energy: 0.8114748800464257
Energy: 0.9291827212285039
Energy: 0.8078381860375496
Energy: 0.9291827211471346
Energy: 0.80783818598952
Energy: 0.9291827209217499
Energy: 0.8078381860432482
Energy: 0.7348326766649746
Energy: 0.8018365463055543
Energy: 0.7348326766641605
Energy: 0.8018365463055543
Energy: 0.7348326766633464
Energy: 0.8018365463063684
Energy: 0.8770197736841073
Energy: 0.8658093143396612
Energy: 0.8769561351738927
Energy: 0.8658093143323347
Energy: 0.876880107301367
Energy: 0.865809314311576
Energy: 0.9686563470443027
Energy: 0.7292246964889165
Energy: 0.9686563470434886
Energy: 0.7292246964893235
Energy: 0.9686563470438957
Energy: 0.729224696483625
Energy: 0.7508720786034262
Energy: 0.7436308799220684
Energy: 0.7508720786030192
Energy: 0.7436308799224753
Energy: 0.7508720786038332
Energy: 0.7436308799228823
Energy: 0.7122464832312901
Energy: 1.0331049441895805
Energy: 0.7122464832304761
Energy: 1.0331049441912088
Energy: 0.7122464832312901
Energy: 1.0331049441871385
Energy: 0.9060592767751507
Energy: 0.7170921707264265
Energy: 0.906059276776372
Energy: 0.7170921707272406
Energy: 0.9060592767735227
Energy: 0.7170921707264265
Energy: 0.7122774381365041
Energy: 1.0326911613672887
Energy: 0.7122774381365041
Energy: 1.0326911613420895
Energy: 0.712277438134876
Energy: 1.0326911613445318
Energy: 0.7509688675303436
Energy: 0.7437689039054023
Energy: 0.7509688675303436
Energy: 0.7437689039054023
Energy: 0.7509688675303436
Energy: 0.7437689039054023
Energy: 0.9681942821142419
Energy: 0.7291986343452406
Energy: 0.9681942821130208
Energy: 0.7291986343460547
Energy: 0.9681942821150559
Energy: 0.7291986343456477
Energy: 0.8771101780755783
Energy: 0.8194981421512265
Energy: 0.877088330976868
Energy: 0.8194981421337242
Energy: 0.8770481200058745
Energy: 0.8194981421036038
Energy: 0.7347058510788552
Energy: 0.8019425410326317
Energy: 0.7347058510776342
Energy: 0.8019425410322247
Energy: 0.7347058510772271
Energy: 0.8019425410322247
Energy: 0.9292610795722608
Energy: 0.8077397187691943
Energy: 0.9292610795539444
Energy: 0.8077397187687873
Energy: 0.9292610795352209
Energy: 0.8077397187700083
Energy: 0.9450400347453205
Energy: 0.8113609188901404
Energy: 0.9450203473824325
Energy: 0.8113609188828138
Energy: 0.6389382552785569
Energy: 0.8113609188539146
Energy: 0.7518723813297722
Energy: 0.7306386931133749
Energy: 0.7518723813305862
Energy: 0.7306386931170382
Energy: 0.7518723813301792
Energy: 0.730638693049508
Energy: 0.7601904514379465
Energy: 0.7372094236363487
Energy: 0.7601904514391676
Energy: 0.7372094236359417
Energy: 0.7601904514412028
Energy: 0.7372094236359417
Energy: 0.7842044947495757
Energy: -1.9616090135642743
Energy: 0.7842044943256339
Energy: 0.6236841539712717
Energy: 0.7842044933178607
Energy: 0.623078758433038
Energy: 0.7864808990223423
Energy: 0.7818395394187359
Energy: 0.7864808820831329
Energy: 0.7818395394187359
Energy: 0.7864807653857114
Energy: 0.7818395394187359
Energy: 0.7102073372924462
Energy: 0.8192904613238788
Energy: 0.7102073372924462
Energy: 0.8192904613230648
Energy: 0.7102073372920392
Energy: 0.8192904613242858
Energy: 0.8179927138201155
Energy: 0.8373333366661789
Energy: 0.8179927138184876
Energy: 0.8373333366649579
Energy: 0.8179927138180804
Energy: 0.8373333366653649
Energy: 0.8501385486826866
Energy: 0.9029263212226265
Energy: 0.8501385486818726
Energy: 0.902922215836619
Energy: 0.8501385486639632
Energy: 0.9029071807523049
Energy: 0.8170712970500085
Energy: 0.7812638821691221
Energy: 0.8170712970500085
Energy: 0.7812638821687151
Energy: 0.8170712970496015
Energy: 0.7812638821687151
Energy: 0.7628032478847446
Energy: 0.7286086371489091
Energy: 0.7628032478851515
Energy: 0.7286086371505373
Energy: 0.7628032478851515
Energy: 0.7286086371505373
Energy: 0.7108906091055276
Energy: 0.8254202543504077
Energy: 0.7108906091055276
Energy: 0.8254202543483724
Energy: 0.7108906091051206
Energy: 0.8254202543487794
Energy: 0.8191361266584732
Energy: 0.7620485158468268
Energy: 0.8191361266214333
Energy: 0.7620484339872344
Energy: 0.8191361266157718
Energy: 0.7620482568525125
Energy: 0.9448433462770083
Energy: 0.8285726824373137
Energy: 0.9448433462770083
Energy: 0.828572682438535
Energy: 0.9448433462770083
Energy: 0.828572682439349
Energy: 0.8206528834529488
Energy: 0.7218943111617501
Energy: 0.8206528834492854
Energy: 0.7218943111613431
Energy: 0.8206528834204234
Energy: 0.7218943111617501
Energy: 0.7110176574249647
Energy: 0.8252630737305326
Energy: 0.7110176574261858
Energy: 0.8252630737309397
Energy: 0.7110176574249647
Energy: 0.8252630737329748
Energy: 0.7629902618140856
Energy: 0.7286087835159322
Energy: 0.7629902618136786
Energy: 0.72860878351349
Energy: 0.7629902618140856
Energy: 0.7286087835118619
Energy: 0.8171514017834386
Energy: 0.7812037477287167
Energy: 0.8171514017826247
Energy: 0.7812037477279026
Energy: 0.8171514017826247
Energy: 0.7812037477291237

minimum gb energy = -1.9616090135642743 eV
minimum distance =  2.35342177133626 Angstroms
sigma value = 57


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

Energy: 0.7856167159597605
Energy: 0.607870128157696
Energy: 0.38949077200191795
Energy: 0.607870128157696
Energy: 0.7856167159588339
Energy: 0.607870128157696
Energy: 0.022928561656785043
Energy: 0.633268337530166
Energy: 0.022928560369469327
Energy: 0.5539499113951242
Energy: 0.022928558203194012
Energy: 0.633268337530166
Energy: 0.4889678337555933
Energy: 0.4223362965137699
Energy: 0.4889678337555933
Energy: 0.13858510109145736
Energy: 0.48896783375188707
Energy: 0.4223362964915327
Energy: 0.5989804281249693
Energy: 0.49420506041414447
Energy: 0.5989804281249693
Energy: 0.38944397332113856
Energy: 0.5989804281240426
Energy: 0.494205060415071
Energy: 0.34996897057429543
Energy: -0.16660786047476245
Energy: 0.34996897057522197
Energy: -0.16660789244968685
Energy: 0.34996897057429543
Energy: -0.16660785274147627
Energy: 0.3331332422578449
Energy: 0.47831678086731433
Energy: 0.3331332422559918
Energy: 0.4783167806737495
Energy: 0.3331332422578449
Energy: 0.4783167806135237
Energy: 0.33344732250586856
Energy: 0.32968740759504883
Energy: 0.33344732250586856
Energy: 0.32968740759504883
Energy: 0.33344732250586856
Energy: 0.32968740759504883
Energy: -0.1007043197411587
Energy: 0.35387306359339143
Energy: -0.10070432058857347
Energy: 0.35387306359431797
Energy: -0.10070432012272909
Energy: 0.35387306359339143
Energy: 0.6009509031642747
Energy: 0.38943017452349
Energy: 0.6009509031633482
Energy: 0.49352308499528197
Energy: 0.6009509031633482
Energy: 0.3894301745244166
Energy: 0.3292182704834398
Energy: 0.5156985960654463
Energy: 0.3292182704834398
Energy: 0.5156985960617402
Energy: 0.3292182704834398
Energy: 0.5156985960561808
Energy: 0.3544043453045666
Energy: 0.5457899142157282
Energy: 0.35440434530364
Energy: 0.5457899142157282
Energy: 0.3544043453045666
Energy: 0.545789914213875
Energy: 0.7856167159597605
Energy: 0.6078701281586225
Energy: 0.38949077200191795
Energy: 0.607870128157696
Energy: 0.7856167159588339
Energy: 0.6078701281586225
Energy: 0.022928562563456927
Energy: 0.6332683375310927
Energy: 0.02292856348128953
Energy: 0.5539499120545333
Energy: 0.02292855952390767
Energy: 0.6332683375292395
Energy: 0.4889678337537402
Energy: 0.4223362972027867
Energy: 0.4889678337555933
Energy: 0.13858510392548085
Energy: 0.4889678337481808
Energy: 0.42233629719078364
Energy: 0.5989804281240426
Energy: 0.49420506041414447
Energy: 0.5989804281240426
Energy: 0.38944397332113856
Energy: 0.5989804281249693
Energy: 0.494205060415071
Energy: 0.34996897057336884
Energy: -0.16660788497760373
Energy: 0.34996897057429543
Energy: -0.16660788604545332
Energy: 0.34996897057522197
Energy: -0.16660787500400248
Energy: 0.3331332422587714
Energy: 0.47831678072837386
Energy: 0.3331332422569183
Energy: 0.47831678073578626
Energy: 0.3331332422578449
Energy: 0.4783167807765545
Energy: 0.3334473225067951
Energy: 0.32968740759504883
Energy: 0.3334473225067951
Energy: 0.3296874075959754
Energy: 0.3334473225067951
Energy: 0.3296874075959754
Energy: -0.10070431827510296
Energy: 0.3538730635924649
Energy: -0.10070431942166722
Energy: 0.35387306359431797
Energy: -0.10070432033111874
Energy: 0.3538730635924649

minimum gb energy = -0.16660789244968685 eV
minimum distance =  2.44137237035192 Angstroms
sigma value = 11


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

Energy: 0.5867895173915824
Energy: 0.7844424396913094
Energy: 0.5867895173915824
Energy: 0.7844424396913094
Energy: 0.5867895173915824
Energy: 0.7844424396919882
Energy: 0.7767383592265035
Energy: 0.5462586055512927
Energy: 0.7767383592271822
Energy: 0.546199594878826
Energy: 0.7767383592265035
Energy: 0.544686740349152
Energy: 0.8199120521408766
Energy: 1.1837875496187396
Energy: 0.8199120521401979
Energy: 1.183787549617382
Energy: 0.8199120521415552
Energy: 1.1837875496180605
Energy: 0.8106902942888959
Energy: 0.09351105512556807
Energy: 0.8106902942888959
Energy: 0.09450349461459066
Energy: 0.8106902942855023
Energy: 0.09242004091840185
Energy: 0.7590802173991861
Energy: 0.5284003025129789
Energy: 0.7590802173991861
Energy: 0.5284003025129789
Energy: 0.7590802173991861
Energy: 0.5284003025123002
Energy: 0.6856293314371626
Energy: 0.38046562869631306
Energy: 0.6856293314385201
Energy: 0.3804338866133642
Energy: 0.685629331436484
Energy: 0.38009682505458986
Energy: 0.1129294597955476
Energy: 0.9986321455110171
Energy: 0.12115299823458166
Energy: 0.9986321455069449
Energy: 0.12209719342964116
Energy: 0.9986321455130532
Energy: 0.8401007600949842
Energy: -0.3045054093214244
Energy: 0.8401007600949842
Energy: 0.04822653122110588
Energy: 0.8401007600956629
Energy: 0.04832226584606108
Energy: 0.810422584203797
Energy: -0.30400232736545746
Energy: 0.8104225842051543
Energy: -0.38247633933176606
Energy: 0.8104225842065119
Energy: -0.30431829484634393
Energy: 0.08816119295006022
Energy: 1.026694992729255
Energy: 0.08789096844418617
Energy: 1.0266949927299336
Energy: 0.08727208324349307
Energy: 1.026694992729255
Energy: 0.8266100139001085
Energy: 0.8705254810562277
Energy: 0.8266100130975569
Energy: 0.8705254810582638
Energy: 0.8266100098703204
Energy: 0.8705254810575851
Energy: 0.7598398325908984
Energy: -0.7478782016320213
Energy: 0.7598398325902198
Energy: -0.7494613791755517
Energy: 0.7598398325902198
Energy: -0.7687831081999419
Energy: 0.7878642323551549
Energy: 0.10112411670537678
Energy: 0.7878642323483677
Energy: 0.09595894469492677
Energy: 0.7878642323341146
Energy: 0.09549832783269613
Energy: 0.8215904835943539
Energy: 1.156166243994075
Energy: 0.8215904835963901
Energy: 1.156166243995432
Energy: 0.8215904835943539
Energy: 1.156166243996111
Energy: 0.7800547952791931
Energy: 0.7314164002811796
Energy: 0.7800546111043483
Energy: 0.7314164002784647
Energy: 0.7800541641975163
Energy: 0.7314164002805008
Energy: -0.6452932553932688
Energy: 0.7863116933784173
Energy: -0.9033654093655783
Energy: 0.7863116933777388
Energy: -0.8976012628296036
Energy: 0.7863116933784173
Energy: 0.6510151212553688
Energy: 0.5454162618275022
Energy: 0.6510151212567262
Energy: 0.5454165731312973
Energy: 0.6510151212553688
Energy: 0.5454157240089704
Energy: 1.0741309685898226
Energy: 0.8452065542327156
Energy: 1.0741309685891438
Energy: 0.8452065442912431
Energy: 1.0741309685877864
Energy: 0.8452065170542173
Energy: 0.8063997113832586
Energy: 0.09268497504737763
Energy: 0.8063997113825799
Energy: 0.09548578675012417
Energy: 0.8063997113839373
Energy: 0.09233746160793559
Energy: 0.7587961442471604
Energy: 0.663314273037248
Energy: 0.7587961442464816
Energy: 0.6633142730793282
Energy: 0.7587961442471604
Energy: 0.6633142731009856
Energy: 0.0864776874045563
Energy: 0.380036415035001
Energy: 0.08682538009833189
Energy: 0.39338861820898136
Energy: 0.0865162447991101
Energy: 0.3944890668874151
Energy: 0.7913617392576825
Energy: 0.9615251034495811
Energy: 0.7913617387786936
Energy: 0.9615251034455088
Energy: 0.791361737543306
Energy: 0.9615251034339704
Energy: 0.3900865964983399
Energy: 0.6637517134919401
Energy: 0.34882261770207357
Energy: 0.6637517134946551
Energy: 0.34848132189905884
Energy: 0.663751713492619
Energy: 0.776658135349454
Energy: 0.6419476235453901
Energy: 0.7766581353467392
Energy: 0.6419476235460688
Energy: 0.7766581353453818
Energy: 0.6419476235447115
Energy: 0.08819504163091675
Energy: 1.0261474673666342
Energy: 0.08818870026843977
Energy: 1.0261474673693487
Energy: 0.08773369008750213
Energy: 1.0261474673666342
Energy: 1.2089959738397673
Energy: 0.8680831095094315
Energy: 1.2089959738390885
Energy: 0.8680831095094315
Energy: 1.2089959738404459
Energy: 0.868083109508074

minimum gb energy = -0.9033654093655783 eV
minimum distance =  2.35309879355308 Angstroms
sigma value = 41


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

Energy: 0.6661478597595216
Energy: 0.5962925408797409
Energy: 0.6661478597584518
Energy: 0.5962925408797409
Energy: 0.6661478597589866
Energy: 0.5962925408797409
Energy: -0.4057588485947064
Energy: 0.9063514865865482
Energy: 0.031256086962916756
Energy: 0.9063514865870831
Energy: 0.028826401679355483
Energy: 0.9063514865870831
Energy: 0.9469994050389201
Energy: 1.3544714836354448
Energy: 0.9469994050351755
Energy: 1.3544714836349099
Energy: 0.9469994050341057
Energy: 1.3544714836343745
Energy: 0.7568721737834586
Energy: -0.37463585382090686
Energy: 0.7568721737834586
Energy: -0.5605532801935849
Energy: 0.7568721737839936
Energy: -0.5529417487791438
Energy: 0.5685564351070587
Energy: 0.6259503896188857
Energy: 0.5685564351081286
Energy: 0.6259503896199555
Energy: 0.5685564351070587
Energy: 0.6259503896194207
Energy: 0.7994675547601393
Energy: 0.42752504825178517
Energy: 0.7994675547654401
Energy: 0.4266236250420895
Energy: 0.7994675547654401
Energy: 0.4312468708878371
Energy: 0.42814320574542813
Energy: 0.9563895087428529
Energy: 0.428143220930015
Energy: 0.9563895087471324
Energy: 0.42814270142980887
Energy: 0.9563895087433878
Energy: -0.34210616839558095
Energy: -0.3962967368180974
Energy: -0.23804538041495818
Energy: -0.28509317719569016
Energy: -0.0181139771683039
Energy: -0.3190747769093246
Energy: 0.5824651460449008
Energy: 0.6279786734140684
Energy: 0.5824651460454359
Energy: 0.6279786734140684
Energy: 0.5824651460459708
Energy: 0.6279786734146036
Energy: 0.47376838857671616
Energy: 1.1273400966499636
Energy: 0.026452539234521805
Energy: 1.1273400966504985
Energy: 0.02628434078225379
Energy: 1.1273400966494285
Energy: 0.4717486596525312
Energy: 1.1281751537162823
Energy: 0.47244054482410314
Energy: 1.1281751537178872
Energy: 0.47210605239469233
Energy: 1.1281751537173523
Energy: -0.33979990179612773
Energy: 0.0808460028632063
Energy: -0.2640449091882117
Energy: -0.19071003836497616
Energy: -0.09876552044700761
Energy: -0.18780175870281085
Energy: -0.24506164500813038
Energy: -0.29066569852503515
Energy: -0.26275699251986084
Energy: -0.17884638591823027
Energy: -0.4635153837071587
Energy: -0.16036062866047493
Energy: 0.4000358573179925
Energy: 1.1811352157246486
Energy: 0.40003585169927863
Energy: 1.1811352157235786
Energy: 0.400035848273982
Energy: 1.1811352157235786
Energy: 0.026338278563699916
Energy: 0.32341066886956504
Energy: 0.02608988026568379
Energy: 0.31625064888236415
Energy: 0.026128783699321062
Energy: 0.3160023846872341
Energy: 0.40062031079587795
Energy: -0.005224982929315528
Energy: 0.40062031022961514
Energy: 0.2359842653901541
Energy: 0.4006203081020447
Energy: 0.23610307217513776
Energy: -0.3545647522480613
Energy: -0.3189784745786934
Energy: -0.18603165347886122
Energy: -0.43121681028577985
Energy: -0.18690004006159905
Energy: -0.59148894974918
Energy: 0.8707753362634367
Energy: 1.3563525673269154
Energy: 0.8707753362639715
Energy: 1.35635256733066
Energy: 0.8707753362634367
Energy: 1.3563525673274506
Energy: 0.8346833817865468
Energy: 0.9036509715269334
Energy: 0.834683381785477
Energy: 0.9036509715269334
Energy: 0.834683381784942
Energy: 0.9036509715269334
Energy: 0.47340048370864474
Energy: -0.03304815235903997
Energy: 0.47333155187547493
Energy: 0.07685414658400722
Energy: 0.02614169291295208
Energy: 0.29038621017928595
Energy: -0.20377571324717708
Energy: 0.9153668856519652
Energy: -0.46054891041927326
Energy: 0.9153668856519652
Energy: -0.4621750244578335
Energy: 0.9153668856519652
Energy: 0.9207903127765007
Energy: 0.006043614257514783
Energy: 0.9207903127754309
Energy: -0.042636114194826116
Energy: 0.9207903127748959
Energy: -0.03961460970000114
Energy: 0.7591892580654225
Energy: -0.6438486079665726
Energy: 0.7591892580659575
Energy: -0.3731799443629083
Energy: 0.7591892580654225
Energy: -0.7372525737807761
Energy: 0.4001195582603401
Energy: 0.9746020724397878
Energy: 0.400119543538237
Energy: 0.9746020724397878
Energy: 0.4001194952408934
Energy: 0.8600224336880046
Energy: 0.4004180297986327
Energy: 0.22926641634256356
Energy: 0.4004180298932693
Energy: 0.47680429572942196
Energy: 0.40041802765287415
Energy: 0.42335218289695925
Energy: 0.4289729691097018
Energy: 0.42816728601104864
Energy: -0.23658765283496533
Energy: 0.42816628847445637
Energy: -0.23634264387990359
Energy: 0.42816339968763034
Energy: -0.2894623915135797
Energy: -0.39571995070491556
Energy: -0.23848748479359638
Energy: -0.28993562505804044
Energy: -0.2101784522116518
Energy: -0.30265232809681575
Energy: 0.5822010858822965
Energy: 0.8475261571869979
Energy: 0.5822010858806916
Energy: 0.8475261571864628
Energy: 0.5822010858822965
Energy: 0.8475261571869979
Energy: 0.4751317834399529
Energy: 0.9093033449634682
Energy: 0.47513026921355705
Energy: 0.9093033449640029
Energy: 0.4751290571023679
Energy: 0.9093033449640029
Energy: 0.9873923439196886
Energy: 0.40289866275409547
Energy: 0.9873923439196886
Energy: 0.4028986625963842
Energy: 0.9873923439202235
Energy: 0.4028986626760422
Energy: -0.28905162245825633
Energy: -0.18855114009762433
Energy: -0.3255431221194474
Energy: -0.14293936592686457
Energy: -0.26172855293729946
Energy: 0.29119378375498384
Energy: 0.5808372177817069
Energy: 0.61513601820523
Energy: 0.5808372177801021
Energy: 0.6151360182046951
Energy: 0.580837217782242
Energy: 0.61513601820523
Energy: 0.400698600720428
Energy: -0.03909363396650101
Energy: 0.4006985993109472
Energy: 0.23624363442459884
Energy: 0.4006985983779072
Energy: 0.2354884978726314

minimum gb energy = -0.7372525737807761 eV
minimum distance =  2.31611734505859 Angstroms
sigma value = 33


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

Energy: 0.6720108823437796
Energy: 0.5899088414670729
Energy: 0.6720108823460321
Energy: 0.5899088414667315
Energy: 0.6720108823437796
Energy: 0.5899088414659807
Energy: 0.8738383337383118
Energy: -0.578576072393538
Energy: 0.8738383337390627
Energy: 0.01670683018451417
Energy: 0.8738383337394723
Energy: 0.016039118543905634
Energy: 0.5422062435849763
Energy: -1.4065828970748995
Energy: 0.5422062435845667
Energy: -1.3154111628785505
Energy: 0.5422062435842254
Energy: -1.342081243417122
Energy: 0.8050565326724733
Energy: -0.6195063716929762
Energy: 0.8050565326758865
Energy: -0.6026868769206915
Energy: 0.8050565326732244
Energy: -0.658685524646195
Energy: 0.5997132985965401
Energy: 1.0619632984529752
Energy: 0.5997132985980418
Energy: 1.0619632984529752
Energy: 0.5997132985961986
Energy: 1.0619632984544771
Energy: -0.6940202371641971
Energy: -0.9922280390574647
Energy: -0.6525934751584979
Energy: -0.9552636344272569
Energy: -0.6717615953324888
Energy: -0.9740989744460689
Energy: -0.5175703878283201
Energy: 0.6096961606257486
Energy: 0.009881759226889898
Energy: 0.6096961606245882
Energy: 0.0067724169154267985
Energy: 0.6096961606230864
Energy: -0.7845561486010105
Energy: -0.6756970526707401
Energy: -0.6626315544403564
Energy: -1.1357421623491684
Energy: -0.715003467806552
Energy: -1.0991332573868071
Energy: 1.0623668459896227
Energy: 0.619019107236072
Energy: 1.0623668459855269
Energy: 0.6190191072364134
Energy: 1.0623668459888718
Energy: 0.6190191072383247
Energy: 0.9171737365257888
Energy: -0.3811034909118069
Energy: 0.9171737365231267
Energy: 0.02053752270173887
Energy: 0.9171737365205328
Energy: 0.019363988322475646
Energy: 0.5932852675830055
Energy: 0.5852420264163345
Energy: 0.5932852675833469
Energy: 0.5852420264189284
Energy: 0.5932852675840977
Energy: 0.5852420264196792
Energy: 0.8440400992657202
Energy: -0.499792577281936
Energy: 0.8440400992675633
Energy: -0.5191657544941133
Energy: 0.8440400992660616
Energy: -0.5246411233865841
Energy: 0.6185980370498588
Energy: 1.062660698045017
Energy: 0.6185980370498588
Energy: 1.0626606980457676
Energy: 0.618598037049108
Energy: 1.0626606980454265
Energy: -0.6970328120466981
Energy: -0.7036344429698365
Energy: -1.204749767603271
Energy: -0.7228350236707868
Energy: -0.9574776794060594
Energy: -0.7176917604872349
Energy: -0.7648467365886068
Energy: 0.01043406445772609
Energy: -0.8616668167453613
Energy: 0.009748371212824226
Energy: -0.768958208708272
Energy: 0.011075207526682423
Energy: -0.6035301242458668
Energy: 0.9407171414703137
Energy: -0.6697047364878518
Energy: -0.5150722425091039
Energy: -0.5697315151718484
Energy: -0.9612440964849129
Energy: 1.0651897220963702
Energy: -0.3563559570711004
Energy: 1.065189722091865
Energy: -0.6625534087008212
Energy: 1.065189722095278
Energy: -0.6620737894630888
Energy: -0.5259529857020467
Energy: 0.8108016321590142
Energy: -0.6250962716631253
Energy: 0.81080163215526
Energy: -0.6084583416406785
Energy: 0.8108016321567616
Energy: -1.0849701881436349
Energy: 0.5420928778697361
Energy: -1.330527199530438
Energy: 0.5420928778689853
Energy: -1.2317998079681811
Energy: 0.5420928778648897
Energy: 1.0630089116351653
Energy: -0.3951299243721167
Energy: 1.0630089116347559
Energy: -0.6902838461059535
Energy: 1.0630089116351653
Energy: -0.6231805201247321
Energy: -0.6903923939974514
Energy: -1.2884441835541824
Energy: -0.6688699514435025
Energy: -1.0657567698121144
Energy: -0.5093483683313927
Energy: -1.2225980323815737
Energy: -0.007003057359233533
Energy: 0.8743026900927046
Energy: -0.25730661771684243
Energy: 0.8743026900901106
Energy: 0.017148282950147198
Energy: 0.8743026900908615
Energy: -0.6143530208569539
Energy: 0.7378798787839916
Energy: -0.826811220895112
Energy: 0.7378798787915003
Energy: -0.6949122895744972
Energy: 0.7378798787903399
Energy: -0.4344533483545358
Energy: 0.8050346300951117
Energy: -0.6187342608556582
Energy: 0.8050346300936099
Energy: -0.6433158837259636
Energy: 0.8050346300924495
Energy: 1.0579833948403883
Energy: -0.5015713844862426
Energy: 1.0579833948407296
Energy: -0.6193795142987953
Energy: 1.0579833948407296
Energy: -0.6949651348394579
Energy: 0.34995717487946065
Energy: -0.8112976594228618
Energy: -0.6969845480965993
Energy: -0.9223949804605612
Energy: -0.5602954069571241
Energy: -0.9696262340189198
Energy: 0.8825284287756997
Energy: -0.5689786733551485
Energy: 0.8825284287753586
Energy: 0.010256632375261669
Energy: 0.882528428774949
Energy: 0.010278803972036938
Energy: -1.1582339164110191
Energy: -0.49711534004277436
Energy: -0.9106763720474469
Energy: -0.592121683443653
Energy: -0.8752235244013793
Energy: -0.6380853798629751
Energy: -0.3547077893532819
Energy: 1.0624848455612503
Energy: -0.599712545183178
Energy: 1.062484845560158
Energy: -0.5965106860665095
Energy: 1.0624848455609093
Energy: 0.01909228867621465
Energy: -1.2280270725625912
Energy: 0.021723998494614503
Energy: -1.2132206687992508
Energy: 0.02080397002280622
Energy: -1.17237709643595
Energy: 0.8188727874602098
Energy: -0.5807614117098544
Energy: 0.8188727874598686
Energy: -0.6590268946527803
Energy: 0.8188727874591176
Energy: -0.6589729966795433
Energy: -0.6162308278396031
Energy: 1.2223550241610446
Energy: -0.670363517610453
Energy: 1.2223550241370174
Energy: -0.4991323647440564
Energy: 1.2223550241321708
Energy: 1.158011338582529
Energy: -0.976078385353566
Energy: 1.1580113385844404
Energy: -0.9373251676549996
Energy: 1.1580113385900377
Energy: -0.9757490730401815
Energy: -0.970094687087057
Energy: -0.7681439715128195
Energy: -1.0471325083033964
Energy: -1.1463071784174648
Energy: -0.9333007829205309
Energy: -1.061305513681876
Energy: -0.7018835545371513
Energy: -0.6632122797697135
Energy: -0.7356201912277222
Energy: -0.9681780765540215
Energy: -0.7041799076266868
Energy: -0.922499506893036
Energy: 1.0623503178286107
Energy: 0.35193833444703604
Energy: 1.0623503178290201
Energy: -0.6616181157947412
Energy: 1.0623503178275184
Energy: -0.6571874627288685
Energy: -0.5142585424197754
Energy: 1.0686280075368757
Energy: -0.6834102028691922
Energy: 1.068628007534623
Energy: -0.49690829669794245
Energy: 1.0686280075387187
Energy: 0.8113768994351258
Energy: -0.6208072240817734
Energy: 0.8113768994298698
Energy: -0.7050722184856784
Energy: 0.8113768994343751
Energy: -0.63033444506368
Energy: -0.3397738513510539
Energy: -1.0779120104680568
Energy: -0.42470987618533584
Energy: -1.1277440663159592
Energy: 0.020271500942675245
Energy: -1.4365995137780676
Energy: -0.44065478209681663
Energy: 1.0624402311564622
Energy: -0.3760254946085377
Energy: 1.0624402311557113
Energy: -0.6426105545311344
Energy: 1.0624402311557113
Energy: -1.0487904961737364
Energy: -0.6534733564784946
Energy: -1.083465166032856
Energy: -0.6105538514544359
Energy: -0.9578885338578194
Energy: -0.6138421273650166
Energy: 0.8820205602895085
Energy: -0.5363084333904775
Energy: 0.8820205602884164
Energy: 0.010619957861829225
Energy: 0.882020560289918
Energy: 0.009608646478515491
Energy: -0.7470926607382635
Energy: -0.5695968874981724
Energy: 0.3505738546138619
Energy: -1.0149916902500213
Energy: 0.34648553837870405
Energy: -1.1911581740485468
Energy: 1.0585851919366882
Energy: -0.6302152370520446
Energy: 1.0585851919366882
Energy: -0.5069004337855748
Energy: 1.0585851919370977
Energy: -0.5030279022975381
Energy: -0.5305048877983897
Energy: 0.8050379652845163
Energy: -0.6588084812260139
Energy: 0.8050379652841749
Energy: -0.6588389142863829
Energy: 0.8050379652849258
Energy: -0.7946684672418605
Energy: 0.7378519366530265
Energy: -0.8833633819394433
Energy: 0.7378519366653817
Energy: -1.2014583281250935
Energy: 0.7378519366623782
Energy: -0.47738703671661115
Energy: 0.8740756387307164
Energy: 0.016290883160412037
Energy: 0.8740756387299655
Energy: 0.01653693029429214
Energy: 0.8740756387299655

minimum gb energy = -1.4365995137780676 eV
minimum distance =  2.38118250537234 Angstroms
sigma value = 67


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

Energy: 0.7177487647247714
Energy: 0.5995842617289581
Energy: 0.7177487647255127
Energy: 0.5995842617289581
Energy: 0.7177487647255127
Energy: 0.5995842617289581
Energy: -0.3205926234666482
Energy: -0.15834703041394296
Energy: -0.3213289304858582
Energy: -0.1583818324676258
Energy: -0.3225707763419752
Energy: -0.17151934843150862
Energy: 0.598516828054859
Energy: 0.7120113957583428
Energy: 0.5985168277940254
Energy: 0.7120113957588275
Energy: 0.5985168279595697
Energy: 0.7120113957590841
Energy: -0.32584041117897083
Energy: -0.15944035200550358
Energy: -0.31772773327252407
Energy: -0.1594398716363077
Energy: -0.32297230430325
Energy: -0.18763158272890537
Energy: 0.7177487647257693
Energy: 0.5995842617289581
Energy: 0.7177487647257693
Energy: 0.5995842617289581
Energy: 0.717748764726026
Energy: 0.5995842617289581
Energy: -0.3218187829958659
Energy: -0.15834213119243398
Energy: -0.29396633784292625
Energy: -0.15839419370222999
Energy: -0.2950943210528907
Energy: -0.15921340890223215
Energy: 0.5985168288724868
Energy: 0.7120113957585995
Energy: 0.5985168279796426
Energy: 0.7120113957585995
Energy: 0.5985168284110101
Energy: 0.7120113957585995

minimum gb energy = -0.32584041117897083 eV
minimum distance =  2.39016511510646 Angstroms
sigma value = 3


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

Energy: 0.7892567695054162
Energy: -0.45156956728107994
Energy: 0.7892567695054162
Energy: -0.421429620814913
Energy: 0.7892567695054162
Energy: -0.4274973576151622
Energy: 0.8012680210142786
Energy: -2.309344851071712
Energy: 0.8012680210108641
Energy: -2.2366711396553507
Energy: 0.8012680210142786
Energy: -2.27035164144645
Energy: 0.611374379508584
Energy: -1.6383709678872465
Energy: 0.6142350982096756
Energy: -1.9420510889566074
Energy: 0.6156290358659193
Energy: -1.5534736553088395
Energy: -0.5287714514517022
Energy: -1.4892317953717082
Energy: -1.1326030882477238
Energy: -1.317759460186502
Energy: -1.1955352949151519
Energy: -1.545494233452258
Energy: 0.14620866153087997
Energy: -1.4979428492700542
Energy: 0.1486696127538641
Energy: -1.6114696756678106
Energy: 0.15158333137345448
Energy: -1.4370906323691093
Energy: -0.19261999150786538
Energy: -2.43234899921256
Energy: -1.0225475198987846
Energy: -2.3932380544631395
Energy: -1.0113774526876333
Energy: -1.9813511151677008
Energy: -1.8144607741804681
Energy: -1.7545593569377536
Energy: -1.8000895815765825
Energy: -1.590147882408729
Energy: -1.5300311472461876
Energy: -1.8929879577465314
Energy: -2.151360712051549
Energy: -1.093469128141961
Energy: -2.303797030940457
Energy: -1.6447988288254096
Energy: -2.1063852474573728
Energy: -0.2735238783622331
Energy: -0.28078856187395096
Energy: -1.980771828988712
Energy: -0.27744877259239026
Energy: -2.2132349178040176
Energy: -0.28088203791622546
Energy: -1.710097361797814
Energy: -1.4310379732842282
Energy: -2.3978446557216184
Energy: -1.8707833948439299
Energy: -2.1736494356493727
Energy: -1.5432500123337258
Energy: -2.2731500092989565
Energy: 0.6609767139480001
Energy: 0.8207488453937156
Energy: 0.6609767139480001
Energy: 0.8207488453903011
Energy: 0.6609767139514143
Energy: 0.8207488453937156
Energy: -2.3789030425037017
Energy: -0.9244205704552511
Energy: -1.6623279763125633
Energy: -0.8057525372756866
Energy: -2.358422486196895
Energy: -0.31299096167351315
Energy: -0.6604147197297057
Energy: -2.0910613173768335
Energy: -1.0240163061029275
Energy: -2.2749165300142593
Energy: -0.4463732150790439
Energy: -2.2005771252919115
Energy: -0.46251220971997836
Energy: -2.421271182285504
Energy: -1.3561984952593162
Energy: -2.3785874688704527
Energy: -1.391036989204826
Energy: -2.201919266467897
Energy: 0.6914894852169007
Energy: -2.032179821170498
Energy: 0.6914894852373253
Energy: -2.289951700004496
Energy: 0.6914894852339108
Energy: -1.930222984382721
Energy: -2.01154223370618
Energy: -0.6104004583412602
Energy: -2.34668777012138
Energy: -0.1605672180920326
Energy: -2.4584375926459017
Energy: 0.1690419780289194
Energy: -0.2088505389408185
Energy: -2.112407517701688
Energy: -0.36265987451299253
Energy: -2.2328124309462027
Energy: -0.35850425161271543
Energy: -2.2722377274137067
Energy: -0.4957354571309489
Energy: 0.8703463450760426
Energy: -1.5822442559446588
Energy: 0.8703463450930529
Energy: -1.4462951817330711
Energy: 0.8703463450657991
Energy: 0.6914786368706246
Energy: -2.0408082180230145
Energy: 0.6914786368774535
Energy: -1.6771765658575175
Energy: 0.6914786368740391
Energy: -2.035100712439124
Energy: -1.9927862353672847
Energy: -1.7138570011149932
Energy: -2.183868460962963
Energy: -1.7025658814522193
Energy: -1.96130086543594
Energy: -1.8216042578023073
Energy: -0.6781316824781585
Energy: -2.416228063289849
Energy: -0.8595383928993725
Energy: -2.422271755655606
Energy: -0.6473466108456116
Energy: -2.2753521280370013
Energy: -0.6040782304886693
Energy: 0.719686744250695
Energy: -1.4899443319571457
Energy: 0.719686744250695
Energy: -1.3109620094680141
Energy: 0.719686744250695
Energy: 0.4172967195510383
Energy: -1.9819363616303285
Energy: -1.4098890037775649
Energy: -1.9560798236891153
Energy: -2.1648872138729227
Energy: -1.763534426197052
Energy: -0.35251317791496106
Energy: -0.7931997508674428
Energy: -0.5124581370191835
Energy: -1.0696870988034024
Energy: 0.16219359080427725
Energy: -1.0519051693932817
Energy: -0.4779990781252188
Energy: -2.3653455675603277
Energy: -0.57932914912546
Energy: -2.3518553553486186
Energy: -0.5664808462367853
Energy: -2.3605554581277013
Energy: -2.3819420545561756
Energy: 0.801696330530201
Energy: -2.03507863348887
Energy: 0.801696330530201
Energy: -2.186543966867319
Energy: 0.8016963305336156
Energy: -1.852864460473553
Energy: -1.3733474105505603
Energy: -1.5777812078713223
Energy: -1.4147214346795471
Energy: -1.565610203414866
Energy: -1.362134270406669
Energy: -1.5114088098879306
Energy: -1.5935225050100936
Energy: -1.3957060923357718
Energy: -1.613506981879537
Energy: -1.3478030580063893
Energy: -1.6903263825379884
Energy: -1.659673451048941
Energy: -2.131756262328566
Energy: -1.3509571249273915
Energy: -2.2880823512393507
Energy: -1.393696568567636
Energy: -2.247607259408959
Energy: -2.4255426730645855
Energy: -0.09794714466832583
Energy: -2.3919381929936625
Energy: -1.0192329253631398
Energy: -1.9811382793484875
Energy: -1.0121857117997008
Energy: -1.6881787142942224
Energy: -1.9712533266562455
Energy: -1.2608025807626135
Energy: -1.8860716708417464
Energy: -1.3139027334257196
Energy: -1.8358834610464503
Energy: -0.5341911252582852
Energy: -1.4257638912604587
Energy: -0.8172969328094634
Energy: -2.0368126506430535
Energy: -0.33445835373126936
Energy: -1.69155104863069
Energy: -1.4909721464515375
Energy: -1.2587369179138743
Energy: -1.1584394365162922
Energy: -1.414324694938731
Energy: -1.1927290831115542
Energy: -1.723044117900806
Energy: -2.0831100111952554
Energy: -1.3850639542710854
Energy: -1.768765934064299
Energy: -1.6458340332950336
Energy: -1.9922350981117058
Energy: -1.3801682816919205
Energy: -2.158683423664152
Energy: 0.6643060381782392
Energy: -2.3128243209262287
Energy: 0.6643060381816537
Energy: -2.4437550218835598
Energy: 0.6643060381782392
Energy: -1.5120349302556326
Energy: -2.3302332585764014
Energy: -1.555215202139639
Energy: -1.6212947110747429
Energy: -1.2187987074892357
Energy: -2.2282956924220936
Energy: -0.8744266598722047
Energy: -0.39833293451891394
Energy: -1.3511125259952972
Energy: 0.14472222338445068
Energy: -1.4275301870084829
Energy: 0.14437893981364155
Energy: 0.9132829405931697
Energy: -0.6001103283778955
Energy: 0.9132829405931697
Energy: -0.7055311412954188
Energy: 0.9132829405931697
Energy: -0.6643195385220134
Energy: -2.154100034345385
Energy: 0.7194898191054395
Energy: -2.157822949246234
Energy: 0.7194898191054395
Energy: -1.9966148838796005
Energy: 0.7194898191020249
Energy: -1.510145280426367
Energy: -2.3555458004527132
Energy: -1.4106025658289558
Energy: -2.1411500532438663
Energy: -2.2052016348495886
Energy: -1.621694839059463
Energy: -2.2223857264828792
Energy: -2.093806615108957
Energy: -1.9273881023047756
Energy: -0.46118015641387067
Energy: -1.7381375207414003
Energy: -0.36673297218425976
Energy: 0.7885179853728764
Energy: -1.830499258203893
Energy: 0.7885179853728764
Energy: -1.5742537966809385
Energy: 0.7885179853728764
Energy: -1.916218694620796
Energy: -1.913126759362663
Energy: -2.0648886479290494
Energy: -2.0411830979834624
Energy: -1.1224152898957152
Energy: -2.0127111959509456
Energy: -1.1660882300880528
Energy: -0.47721339472831414
Energy: -2.1288596416336185
Energy: -1.5276169981719818
Energy: -2.4080151434030777
Energy: -1.5087366499012433
Energy: -2.3133135149011292
Energy: -1.9983129704700855
Energy: -1.7265318149011075
Energy: -1.7931954602860154
Energy: -0.6315531819522012
Energy: -1.6296945009338322
Energy: -1.5695213384960394
Energy: 0.7196603479751643
Energy: -2.1494952735799697
Energy: 0.7196603479751643
Energy: -2.2438861104613625
Energy: 0.7196603479751643
Energy: -2.26747041522416
Energy: -1.274875047537909
Energy: -2.2542582003814493
Energy: -0.525967993759101
Energy: -2.316679615200148
Energy: -1.646090035041746
Energy: -2.2049369581979854
Energy: -0.08267545174585689
Energy: -2.126588061625877
Energy: -0.9115663529169227
Energy: -2.120121385728923
Energy: -0.9212274876678826
Energy: -2.2002727920848217
Energy: -2.2470208341801636
Energy: -2.10974245465418
Energy: -2.283468340457193
Energy: -1.9888487531527133
Energy: -2.382405765496521
Energy: -1.9754678643444428
Energy: 0.6631139313652405
Energy: -2.3864664393826933
Energy: 0.6631139313652405
Energy: -2.2106841864965188
Energy: 0.6631139313652405
Energy: -2.3729775560173367
Energy: -1.6744289351725692
Energy: -2.366308473505363
Energy: -1.5693165340756612
Energy: -2.3123559958367292
Energy: -1.7725660759763782
Energy: -2.0038113203708736

minimum gb energy = -2.4584375926459017 eV
minimum distance =  2.33454698408733 Angstroms
sigma value = 81


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

Energy: 0.7328219235154055
Energy: 0.7098024655837355
Energy: 0.7328219235144683
Energy: 0.7098024655837355
Energy: 0.7328219235149368
Energy: 0.7098024655837355
Energy: 0.34365727330603485
Energy: 0.34371067942383776
Energy: 0.34365727323297096
Energy: 0.3437106796889979
Energy: 0.34365727318470196
Energy: 0.3437106794983075
Energy: -0.8423789477915731
Energy: 0.753114860381532
Energy: -1.3888395483036549
Energy: 0.7531148603820006
Energy: -1.386998596292444
Energy: 0.753114860381532
Energy: 0.6691108278765312
Energy: -1.5787987836884398
Energy: 0.6691108278788743
Energy: -1.573168611540135
Energy: 0.6691108278760626
Energy: -1.637937207612798
Energy: 0.05488957144582887
Energy: 0.3418591171169705
Energy: 0.05488957110905341
Energy: 0.34185222090390754
Energy: 0.05488957132262145
Energy: 0.3418557294737985
Energy: -1.0190380318590986
Energy: -1.4954205546919213
Energy: -1.5442132492400722
Energy: -1.5676916273687966
Energy: -1.5600052120624819
Energy: -1.5693437098430576
Energy: 0.5854648054455286
Energy: -1.6069842889872215
Energy: 0.5854648054445912
Energy: -1.5743646937418025
Energy: 0.5854648054445912
Energy: -1.6265032352519158
Energy: 0.34176858695057316
Energy: 0.34287734548130433
Energy: 0.3417684098706668
Energy: 0.34287735146725934
Energy: 0.34176641851694456
Energy: 0.3428773955210691
Energy: -0.9106776675830466
Energy: -1.2519674125690277
Energy: -0.1772771523002663
Energy: -1.4814271438672686
Energy: -1.5970114061876823
Energy: -1.5242773395388136
Energy: -1.5392153507281015
Energy: 0.9143393094643975
Energy: -1.4999979056151809
Energy: 0.914339309455962
Energy: -0.5092038312387448
Energy: 0.9143393094634603
Energy: -1.4399882556754666
Energy: 0.5852587978352879
Energy: -1.5349138803486373
Energy: 0.5852587978357566
Energy: -1.6248507017315663
Energy: 0.5852587978357566
Energy: -1.1103907373532231
Energy: -1.7654320047006986
Energy: -1.3409597351202045
Energy: -1.4613179211598946
Energy: -1.4583793766251676
Energy: -1.5456505559272142
Energy: 0.34515296947994567
Energy: 0.3424115061615512
Energy: 0.3451529695155617
Energy: 0.34241150622008754
Energy: 0.3451529695104067
Energy: 0.3424115061629571
Energy: -0.706089404719089
Energy: 0.752885544768137
Energy: -1.4334051500845564
Energy: 0.752885544768137
Energy: -1.420597601794314
Energy: 0.7528855447671997
Energy: 0.7525637694495997
Energy: 0.5565148986047481
Energy: 0.7525637694510057
Energy: 0.5565148986028736
Energy: 0.7525637694495997
Energy: 0.5565148986066227
Energy: 0.3426567199239988
Energy: 0.34315827491570344
Energy: 0.3427111233316917
Energy: 0.34315827413858496
Energy: 0.3427049394708689
Energy: 0.3431582744210418
Energy: 0.7079944077961866
Energy: -1.305946340355921
Energy: 0.707994407795718
Energy: -1.4016955806273061
Energy: 0.7079944077985298
Energy: -1.4884328708357484
Energy: -1.3327798465200833
Energy: 0.6499037095986756
Energy: -1.5730384496138545
Energy: 0.6499134637568178
Energy: -1.5827494528250057
Energy: -1.256488373498471
Energy: 0.7552249030419355
Energy: -1.0734347149905765
Energy: 0.7552249030414667
Energy: -1.449905017741334
Energy: 0.7552249030419355
Energy: -1.3954855990382566
Energy: -1.0185954179431296
Energy: -1.4881042505220516
Energy: -1.6305537665594132
Energy: -1.62613382131797
Energy: -1.6340907974984558
Energy: -1.6093498922978515
Energy: -0.13817616534865862
Energy: 0.3426989666900027
Energy: -0.1382613765513603
Energy: 0.3426989666056917
Energy: -0.1383460312340293
Energy: 0.34269896677384515
Energy: -1.497642776854601
Energy: -1.186129171359482
Energy: -1.5462284543897387
Energy: -1.2417689794258318
Energy: -1.610640735694805
Energy: -1.266229139581185
Energy: -1.3880491373346884
Energy: -0.7248120457888627
Energy: -1.5490852990680397
Energy: 0.3760383632540702
Energy: -1.6195012976294885
Energy: 0.37695269003803095
Energy: -0.1376848684410256
Energy: 0.3423050142153909
Energy: -0.1376925616986489
Energy: 0.3423050143953027
Energy: -0.12246972995817507
Energy: 0.34230501415169967
Energy: -0.7041074144165363
Energy: -1.4391118658206483
Energy: -1.4840338846265757
Energy: -1.624351815329494
Energy: -1.5776492711169054
Energy: -1.4130226277997948
Energy: 0.7549796609229935
Energy: -0.49101110497558254
Energy: 0.754979660919713
Energy: -0.5658841282504801
Energy: 0.7549796609225249
Energy: -1.1249194179565318
Energy: -1.583042158059973
Energy: -0.2518506892162409
Energy: -1.5823867609710975
Energy: -0.7197660632788032
Energy: -1.5828407715186754
Energy: -0.39780730430640493
Energy: 0.7074956035705664
Energy: -1.3182226745896202
Energy: 0.7074956035733783
Energy: -1.2992361643720405
Energy: 0.7074956035700977
Energy: -1.5411301769145505
Energy: 0.3428636022161743
Energy: 0.34576920824303337
Energy: 0.3428636031478558
Energy: 0.34576920773384423
Energy: 0.34286357589268757
Energy: 0.34576920825943547
Energy: 0.7528251995676073
Energy: 0.5540883878995814
Energy: 0.7528251995685447
Energy: 0.5540883878991127
Energy: 0.7528251995671387
Energy: 0.5540883878958324
Energy: -1.418093366790088
Energy: 0.7532589218954235
Energy: -1.079419235904642
Energy: 0.7532589218958922
Energy: -1.6225004243180046
Energy: 0.7532589218958922
Energy: 0.34159865896261343
Energy: 0.34318288998730545
Energy: 0.3415986584089043
Energy: 0.3431828899395476
Energy: 0.341598662666888
Energy: 0.3431828899559497
Energy: -1.0091123492028102
Energy: -1.5841548742816318
Energy: -1.5665134627228106
Energy: -1.5853701877787352
Energy: -1.6550198592477907
Energy: -1.5950042098241322
Energy: -1.734751250330988
Energy: 0.5854543842897484
Energy: -1.6087674027023786
Energy: 0.5854543842897484
Energy: -1.5960068453842933
Energy: 0.5854543842906857
Energy: -0.8360674204236753
Energy: 0.9143549606809439
Energy: -0.5103240619619545
Energy: 0.9143549606790693
Energy: -0.510261713802603
Energy: 0.9143549606800065
Energy: -0.9817888020727714
Energy: -1.6268916314787618
Energy: -1.0742260937571468
Energy: -1.337027709805478
Energy: -1.3634406040542162
Energy: -1.4823622442248927
Energy: 0.34293761935641137
Energy: 0.3433648728595543
Energy: 0.3429376251746815
Energy: 0.34336478594315284
Energy: 0.34293758909156524
Energy: 0.3433648423427124
Energy: 0.5857225689490294
Energy: -1.5401847248106766
Energy: 0.585722568949498
Energy: -1.517211978976324
Energy: 0.5857225689504353
Energy: -1.599675622129306

minimum gb energy = -1.7654320047006986 eV
minimum distance =  2.32992845699278 Angstroms
sigma value = 43


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

Energy: 0.9148523910620375
Energy: 0.015435233560137436
Energy: 0.9148523910626133
Energy: 0.028858748820523174
Energy: 0.914852391061462
Energy: 0.026570466000002124
Energy: 0.31072744829279203
Energy: -0.04479387829799189
Energy: 0.3106874579739308
Energy: -0.043891517181890896
Energy: 0.31180247250851023
Energy: -0.04355414348386096
Energy: 0.8430886324115835
Energy: 0.9081278831896288
Energy: 0.8430886324052517
Energy: 0.9081278831890532
Energy: 0.8430886323943146
Energy: 0.9081278831890532
Energy: 0.18102175616640434
Energy: -0.12198976237905698
Energy: 0.18010594533374946
Energy: -0.12182920728726282
Energy: 0.18154861907217426
Energy: -0.12182820491333642
Energy: 0.3585617217695125
Energy: -0.1666024503383593
Energy: 0.3585612390681586
Energy: -0.16652166471106652
Energy: 0.3585599181902303
Energy: -0.17354708904582686
Energy: 0.0010223640223467692
Energy: -0.8460498441358127
Energy: 0.007311942765098505
Energy: -0.8472783306406195
Energy: 0.012114718217777124
Energy: -0.8215101403979845
Energy: 0.7615553977378513
Energy: 0.8156392092377023
Energy: 0.7615553977378513
Energy: 0.8156392092377023
Energy: 0.7615553977372755
Energy: 0.8156392092371267
Energy: -0.40598879623739675
Energy: -0.13365332843518954
Energy: -0.526758826662682
Energy: -0.1373184743514584
Energy: -0.49948454321882496
Energy: -0.13683067022604808
Energy: 0.03353040412125141
Energy: -0.17775465071259003
Energy: 0.15002309078048093
Energy: -0.1782250405745567
Energy: 0.14983001511038638
Energy: -0.1781186916044027
Energy: -0.011433259043940802
Energy: 0.8854165364098087
Energy: -0.5040616086452508
Energy: 0.8854165364098087
Energy: -0.4900315968873888
Energy: 0.8854165364103842
Energy: 0.8347503886327643
Energy: -0.4055724792885503
Energy: 0.834750388631613
Energy: -0.4021251718801347
Energy: 0.8347503886321888
Energy: -0.9023176799098748
Energy: -0.35919614210425427
Energy: -0.010178063799631133
Energy: -0.5270646691626791
Energy: 0.0016519760751624625
Energy: -0.5275201321459382
Energy: -0.11569257194765084
Energy: 0.14662309546544866
Energy: -0.821068849219864
Energy: 0.1461182255017404
Energy: -0.8879522255927925
Energy: 0.1463794194766447
Energy: -0.9276761853838609
Energy: -1.110018153594093
Energy: 0.8251790232047449
Energy: -1.2143603447846325
Energy: 0.8251790232058961
Energy: -1.0610783626432363
Energy: 0.8251790232041694
Energy: -0.5422709797154089
Energy: -0.7755567903354844
Energy: -0.5274525863001313
Energy: -1.024206789784203
Energy: -0.3910888516849895
Energy: -0.8517932734421085
Energy: 0.07620812322908282
Energy: -0.1630348814043709
Energy: 0.03537202935435416
Energy: -0.16339474109738802
Energy: 0.033404872363005544
Energy: -0.16471924544417454
Energy: 0.08567073844592828
Energy: -0.04714401979201436
Energy: 0.11050687802733924
Energy: -0.047356737797930044
Energy: 0.12695826741349817
Energy: -0.04596850035775447
Energy: 0.8090993304773862
Energy: 0.580015580474247
Energy: 0.8090993304722056
Energy: 0.580015580474247
Energy: 0.8090993304750836
Energy: 0.580015580474247
Energy: 0.6206134500075634
Energy: -0.34166298161954667
Energy: 0.6206134500075634
Energy: -0.5375464740823498
Energy: 0.6206134500075634
Energy: -0.3510258123859219
Energy: 0.03141081764973865
Energy: -0.04785180946424731
Energy: 0.09734575945636416
Energy: -0.04694007359448042
Energy: 0.08770207806110719
Energy: -0.04508389913108749
Energy: 0.1077900300030403
Energy: 0.02669824702054224
Energy: 0.09487847503668749
Energy: 0.027907266972601076
Energy: 0.0994935369270731
Energy: 0.032053194463572694
Energy: 0.8538025321824007
Energy: 0.788433643472184
Energy: 0.8538025321824007
Energy: 0.7884336434744865
Energy: 0.8538025321824007
Energy: 0.788433643471033
Energy: -0.190238625350268
Energy: 0.7508900920252148
Energy: -0.18925008935293414
Energy: 0.7508900920240635
Energy: -0.19060091663688336
Energy: 0.7508900920246392
Energy: 0.1439520297371565
Energy: -0.8458301450389316
Energy: 0.13921231261550038
Energy: -0.8404750091885399
Energy: 0.15331971165222166
Energy: -0.889675950720182
Energy: -0.3982682990275632
Energy: 0.19266515404844461
Energy: -0.49935516879342784
Energy: -0.4042683571124875
Energy: -0.49301781261443944
Energy: -0.40722345165641904
Energy: 0.8513272620377014
Energy: 0.7902397996568576
Energy: 0.8513272620371257
Energy: 0.7902397996574332
Energy: 0.851327262044609
Energy: 0.7902397996574332
Energy: -0.4465218914515188
Energy: -0.036707217539420516
Energy: -0.5077766166001543
Energy: -0.04749572313117449
Energy: -0.8204632527897584
Energy: -0.047372688760562096
Energy: 0.08843951292749083
Energy: -0.1785676311249105
Energy: 0.07560627584576982
Energy: -0.1786910045605141
Energy: 0.08431417419400485
Energy: -0.17950059595812903
Energy: -0.40477311228407875
Energy: -0.12674825690503988
Energy: -0.5274897662705909
Energy: -0.13530874380035646
Energy: -0.5269751439957227
Energy: -0.13500784720797707
Energy: 0.7473381070544826
Energy: 0.7585043857546533
Energy: 0.7473381070539069
Energy: 0.7585043857529264
Energy: 0.7473381070527556
Energy: 0.7585043857552289
Energy: -0.0030582770042343567
Energy: -0.9120670860374396
Energy: 0.000519755581501308
Energy: -0.917669779496008
Energy: 0.021900188079582824
Energy: -0.9243248854405518

minimum gb energy = -1.2143603447846325 eV
minimum distance =  2.36320972940179 Angstroms
sigma value = 57


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

Energy: -0.000675607815060753
Energy: -0.006380838469141129
Energy: 0.016475923798884108
Energy: -0.10349303740976833
Energy: 0.016511943081707156
Energy: -0.10355624634354388
Energy: -0.3693740236757141
Energy: 0.4947303525165066
Energy: -0.3549150513695384
Energy: 0.49473035251576125
Energy: -0.3622702016639379
Energy: 0.4947303525172519
Energy: 0.7444901538752956
Energy: 0.8302288467082095
Energy: 0.7444822683651262
Energy: 0.8302288467089547
Energy: 0.744460170515275
Energy: 0.8302288467067186
Energy: 0.43594184362931054
Energy: 0.028799999071634694
Energy: 0.4359415228710966
Energy: 0.022488510336657802
Energy: 0.435941202495027
Energy: 0.02330995063591818
Energy: 0.08994508835612486
Energy: 0.2719043692645051
Energy: 0.08950569417292797
Energy: 0.2729131245607505
Energy: 0.09049666632182236
Energy: 0.27154012238376496
Energy: -1.312569730154037
Energy: 0.716560872721804
Energy: -1.0292245252048138
Energy: 0.7165608727225493
Energy: -0.8689052843176848
Energy: 0.7165608727292573
Energy: 0.7055942628635414
Energy: 0.7260772029673346
Energy: 0.7055942628627961
Energy: 0.7260772029680799
Energy: 0.7055942628627961
Energy: 0.7260772029680799
Energy: -0.3385359481529314
Energy: 0.39803730247884245
Energy: -0.3398865054223592
Energy: 0.398037302480333
Energy: -0.34072566826883793
Energy: 0.39803730247884245
Energy: -0.34863633414802325
Energy: 0.1627949289265526
Energy: -0.3492803143579825
Energy: 0.1627948775180417
Energy: -0.34813781611984757
Energy: 0.16279484999602584
Energy: 0.32119015648745447
Energy: 0.7157251591922248
Energy: 0.32119015635854853
Energy: 0.7157251591922248
Energy: 0.32119015542287077
Energy: 0.7157251591907342
Energy: 0.7055565822542932
Energy: -1.591612070762427
Energy: 0.7055565822542932
Energy: -1.6728912570586325
Energy: 0.7055565822528026
Energy: -1.4012902142237194
Energy: -0.3536746819335513
Energy: -0.37945608238956985
Energy: -0.35219691447402446
Energy: -0.37770020718652114
Energy: -0.34672137901108635
Energy: -0.38497587465292493
Energy: -0.2983077542153835
Energy: 0.18365062312807198
Energy: -0.2972667751661383
Energy: 0.18365062315639405
Energy: -0.2997333205297455
Energy: 0.18365062323163717
Energy: 0.7075224656545872
Energy: 0.45590170081804204
Energy: 0.7075224656486584
Energy: 0.4559017112768723
Energy: 0.7075224656665122
Energy: 0.4559016944953147
Energy: 0.44980417900084746
Energy: 0.22106270845900688
Energy: 0.4498041790254091
Energy: 0.2210627084217749
Energy: 0.44980417980541715
Energy: 0.22106270835473024
Energy: 0.09578719737626776
Energy: -0.019969846471276892
Energy: 0.09661505898182961
Energy: -0.11315875131727975
Energy: 0.0973430696093863
Energy: -0.11311194874216894
Energy: 0.35262219863607985
Energy: -0.3622331535307611
Energy: 0.35262219863607985
Energy: -0.3555911700569176
Energy: 0.3526221986345892
Energy: -0.36190675497802094
Energy: 0.7173384392636476
Energy: 0.050832970225725936
Energy: 0.7173384392636476
Energy: 0.05128360384873018
Energy: 0.717338439264393
Energy: 0.05141926609605637
Energy: -1.249540049987424
Energy: -0.36776573791982664
Energy: -1.246083458333918
Energy: -0.3605253497228906
Energy: -1.2485288475533622
Energy: -0.3598093869896352
Energy: 0.09503598072018342
Energy: -0.022534783812079254
Energy: 0.09802991696145054
Energy: -0.022731687329206014
Energy: 0.09653276063980566
Energy: -0.11335727422333503
Energy: 0.4798709841636946
Energy: -0.28925328586131144
Energy: 0.4798709832905896
Energy: -0.2869176055247808
Energy: 0.479870983682457
Energy: -0.290278315477929
Energy: 0.7073129237552997
Energy: 0.6681055628251794
Energy: 0.7073129237508279
Energy: 0.6681055628274153
Energy: 0.7073129237545545
Energy: 0.6681055628281607
Energy: -0.300531128285475
Energy: -0.057465081366848324
Energy: -0.29966724031972936
Energy: -0.056987874481702304
Energy: -0.2993654843142122
Energy: 0.03157668271365076
Energy: -0.352774491223007
Energy: -0.3795901779176903
Energy: -0.34900087851882444
Energy: -0.37808363254898775
Energy: -0.34891433202619593
Energy: -0.3822592976974167

minimum gb energy = -1.6728912570586325 eV
minimum distance =  2.34156943896433 Angstroms
sigma value = 17


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

Energy: 0.8106243375147576
Energy: 0.71613703269382
Energy: 0.8106243375147576
Energy: 0.716137032694874
Energy: 0.8106243375147576
Energy: 0.71613703269382
Energy: 0.5470352041305337
Energy: 0.5730063628696366
Energy: 0.5470352041305337
Energy: 0.5730063628696366
Energy: 0.5470352041305337
Energy: 0.5730063628685825
Energy: 0.737289296279584
Energy: 0.8422207228326701
Energy: 0.737289296279584
Energy: 0.8422207228326701
Energy: 0.7372892962806381
Energy: 0.8422207228316162
Energy: 0.5040871715560931
Energy: 0.8894966689684255
Energy: 0.5040871715571471
Energy: 0.8894966346494466
Energy: 0.5040871715571471
Energy: 0.8894965621027829
Energy: 0.8389470326428232
Energy: 0.4260948360014932
Energy: -0.7868167860506599
Energy: -0.9728375367121359
Energy: -0.9733676375035248
Energy: -0.46924099882450104
Energy: 0.7898192955511874
Energy: 0.7502226255108243
Energy: 0.7898192955501333
Energy: 0.7502226255108243
Energy: 0.7898192955511874
Energy: 0.7502226255108243
Energy: 0.6881511234994492
Energy: 0.5667792916989337
Energy: 0.6881511234994492
Energy: 0.5667792916989337
Energy: 0.6881511234994492
Energy: 0.5667792916989337
Energy: 0.5046315052217853
Energy: 0.5041998541071016
Energy: 0.5046315052228393
Energy: 0.5056834721504111
Energy: 0.5046315052249474
Energy: 0.5055028444127803
Energy: -1.2248667168184721
Energy: 0.5751092423057651
Energy: -1.2291518862168558
Energy: 0.5751092423068191
Energy: -1.153823025799471
Energy: 0.5751092423057651
Energy: 0.6540038770006358
Energy: 0.6670557596276454
Energy: 0.6540038769089345
Energy: 0.6670557596276454
Energy: 0.6540038767540867
Energy: 0.6670557596276454
Energy: 0.5786174215883683
Energy: 0.6690567361694595
Energy: 0.5786174215862602
Energy: 0.6690567361694595
Energy: 0.5786174215820442
Energy: 0.6690567361694595
Energy: -1.2097278166447347
Energy: 0.5784157637218598
Energy: -1.1861133578230514
Energy: 0.5784157637208057
Energy: -1.1884215721631104
Energy: 0.5784157637197517
Energy: 0.5080343389642202
Energy: 0.7491344531643169
Energy: 0.5080343389663283
Energy: 0.7491344531643169
Energy: 0.5080343389642202
Energy: 0.7491344531643169
Energy: 0.7204807730716324
Energy: -0.9673130010040655
Energy: 0.7204807730705785
Energy: -0.9869772848266655
Energy: 0.7204807730716324
Energy: -1.068948279983624
Energy: 0.5090323530467952
Energy: 0.6764066415969439
Energy: -1.087849680778893
Energy: 0.6764066415969439
Energy: -0.7873011918753854
Energy: 0.6764066415979979
Energy: -0.7791030297861474
Energy: 0.7506543979594908
Energy: -1.0777585601797293
Energy: 0.7506543979594908
Energy: -0.770959382268576
Energy: 0.7506543979594908
Energy: 0.7194409442192493
Energy: 0.04621282100631613
Energy: 0.7194409442203032
Energy: 0.1401964975480409
Energy: 0.7194409442192493
Energy: 0.044476289705030106

minimum gb energy = -1.2291518862168558 eV
minimum distance =  2.42240763056752 Angstroms
sigma value = 17


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

Energy: 0.7581379975288174
Energy: 0.6378989152675664
Energy: 0.7581379975312595
Energy: 0.6378989152675664
Energy: 0.7581379975308525
Energy: 0.6378989152671592
Energy: 0.6408977880065573
Energy: 0.6650271045029208
Energy: 0.6408977880065573
Energy: 0.6650271045029208
Energy: 0.640897788003708
Energy: 0.6650271045025138
Energy: 0.6778426537453701
Energy: 0.7115641997663372
Energy: 0.6778426537274607
Energy: 0.7115641997663372
Energy: 0.6778426536631866
Energy: 0.7115641997659301
Energy: 0.5856463548068139
Energy: 0.6720203256727929
Energy: 0.585646354808035
Energy: 0.6720203006587809
Energy: 0.585646354808442
Energy: 0.672020246682699
Energy: 0.6301365734750842
Energy: 0.6045597665461444
Energy: 0.6301365734714209
Energy: 0.6045597665473655
Energy: 0.6301365734722351
Energy: 0.6045597665453303
Energy: 0.6619615008640749
Energy: 0.6577616959411622
Energy: 0.6619615008665172
Energy: 0.6577616959407552
Energy: 0.661961500864889
Energy: 0.6577616959411622
Energy: 0.6394614398500205
Energy: 0.6925209218720598
Energy: 0.6394614398500205
Energy: 0.6925208707516742
Energy: 0.6394614398487994
Energy: 0.69252069660893
Energy: 0.6176980777437339
Energy: 0.49876596093748127
Energy: 0.6188317083926035
Energy: 0.49893697767507383
Energy: 0.6193006169879808
Energy: 0.5015075428224693
Energy: 0.715462857543808
Energy: 0.6888850094451385
Energy: 0.715462857544215
Energy: 0.6888850094447314
Energy: 0.7154628575425869
Energy: 0.6888850094451385
Energy: 0.6375907056736941
Energy: 0.5952776272234023
Energy: 0.6375907056712519
Energy: 0.5952776272229952
Energy: 0.6375907056704379
Energy: 0.5952776272225881
Energy: 0.5784876668334312
Energy: 0.5093795843775903
Energy: 0.5784876668338382
Energy: 0.5101227755594249
Energy: 0.5784876668334312
Energy: 0.5118474986848972
Energy: 0.7882422124159254
Energy: 0.6315033064372572
Energy: 0.7882422124155182
Energy: 0.6315033064360361
Energy: 0.7882422124159254
Energy: 0.6315033064360361
Energy: 0.6917767891457651
Energy: 0.6533059416478288
Energy: 0.6917767891482074
Energy: 0.6533059416466078
Energy: 0.6917767891445441
Energy: 0.653305941649457
Energy: 0.6833441335717106
Energy: 0.6533708156966085
Energy: 0.6833441335721175
Energy: 0.6533708156986437
Energy: 0.6833441335721175
Energy: 0.6533708156957945
Energy: 0.5285526912574717
Energy: 0.6272724261849654
Energy: 0.3667880639034034
Energy: 0.6272724261845584
Energy: 0.35249206410561557
Energy: 0.6272724261821162
Energy: 0.6110935614851104
Energy: 0.6803133964663444
Energy: 0.6110935614838893
Energy: 0.6803133964643092
Energy: 0.6110935614826682
Energy: 0.6803133964626811
Energy: 0.6933557516130112
Energy: 0.7450016582603683
Energy: 0.6933557516130112
Energy: 0.7450016582603683
Energy: 0.6933557516130112
Energy: 0.7450016582599612
Energy: 0.3623303919346072
Energy: 0.668649642669143
Energy: 0.34731320342803
Energy: 0.6686496426703641
Energy: 0.35184684036569935
Energy: 0.6686496426695501
Energy: 0.7151684542858958
Energy: 0.6675848199122857
Energy: 0.7151679715879009
Energy: 0.6675848199261247
Energy: 0.7151620589709593
Energy: 0.6675848199175771
Energy: 0.6927123651581275
Energy: 0.7172433455828943
Energy: 0.6927123651581275
Energy: 0.7172433455837083
Energy: 0.6927123651581275
Energy: 0.7172433455824871
Energy: 0.7153254709758181
Energy: 0.6683351881713266
Energy: 0.7153236946101964
Energy: 0.6683351881713266
Energy: 0.7153189532528818
Energy: 0.6683351881725477
Energy: 0.42051348228836344
Energy: 0.6686121981596931
Energy: 0.36810676357107897
Energy: 0.668612198156844
Energy: 0.3687068608041243
Energy: 0.6686121981588792
Energy: 0.6938301913933768
Energy: 0.7451082419203016
Energy: 0.6938301913941909
Energy: 0.7451082419211156
Energy: 0.6938301913933768
Energy: 0.7451082419198946
Energy: 0.6103132901173188
Energy: 0.6815679855658736
Energy: 0.6103132901173188
Energy: 0.6815679855662806
Energy: 0.6103132901169117
Energy: 0.6815679855650595
Energy: 0.5294492122747296
Energy: 0.6667809720789833
Energy: 0.3518707761543574
Energy: 0.666780972074913
Energy: 0.3653583270385825
Energy: 0.6667809720578547
Energy: 0.6830229858693762
Energy: 0.6533066885804841
Energy: 0.6830229858657129
Energy: 0.65330668857967
Energy: 0.6830229858657129
Energy: 0.6533066885837403
Energy: 0.6920759872640292
Energy: 0.6539494328261172
Energy: 0.6920759872628081
Energy: 0.6539494328265243
Energy: 0.6920759872628081
Energy: 0.6539494328265243
Energy: 0.7877975164666912
Energy: 0.6319521171642335
Energy: 0.7877975164670982
Energy: 0.6319521171630124
Energy: 0.7877975164666912
Energy: 0.6319521171662685
Energy: 0.5799411833546825
Energy: 0.48783334019000407
Energy: 0.5799411833546825
Energy: 0.4888129793215522
Energy: 0.5799411833542755
Energy: 0.506595133447198
Energy: 0.6373198203013882
Energy: 0.6777855672104618
Energy: 0.6373198203022024
Energy: 0.6777855672088335
Energy: 0.6373198203022024
Energy: 0.6777855672096477
Energy: 0.7155408835714039
Energy: 0.6886545695205214
Energy: 0.7155408835709969
Energy: 0.6886545695193004
Energy: 0.7155408835709969
Energy: 0.6886545695205214
Energy: 0.6677210451155114
Energy: 0.4842726629780297
Energy: 0.6155819358272092
Energy: 0.5002327102658713
Energy: 0.6168435517122864
Energy: 0.5003549527714418
Energy: 0.63965635053169
Energy: 0.6925136778093407
Energy: 0.639656350531283
Energy: 0.6925135425769984
Energy: 0.6396563505308759
Energy: 0.6925132283929822
Energy: 0.6621271078535758
Energy: 0.6473237389531803
Energy: 0.6621271078511336
Energy: 0.6473237389531803
Energy: 0.6621271078503196
Energy: 0.6473237389596928
Energy: 0.6288391089764624
Energy: 0.6046953968743348
Energy: 0.6288391089760554
Energy: 0.6046953968731137
Energy: 0.6288391089764624
Energy: 0.6046953968747418
Energy: 0.5861640110596054
Energy: 0.7301617031581442
Energy: 0.5861640110587913
Energy: 0.730161703155702
Energy: 0.5861640110575703
Energy: 0.7301617031569231
Energy: 0.6776047570983027
Energy: 0.7117963513176921
Energy: 0.6776047570535662
Energy: 0.7117963513176921
Energy: 0.6776047569465539
Energy: 0.7117963513176921
Energy: 0.6406478269599448
Energy: 0.6286240587633841
Energy: 0.6406478269591308
Energy: 0.6286240587597208
Energy: 0.640647826962387
Energy: 0.6286240587609419
Energy: 0.7581379975267822
Energy: 0.6378989152675664
Energy: 0.7581379975259681
Energy: 0.6378989152675664
Energy: 0.7581379975267822
Energy: 0.6378989152675664
Energy: 0.6408977880069643
Energy: 0.6194114930054855
Energy: 0.6408977880061502
Energy: 0.6194114930046714
Energy: 0.640897788004929
Energy: 0.6194114930050785
Energy: 0.6778426537417068
Energy: 0.7115641997663372
Energy: 0.6778426537286818
Energy: 0.7115641997671512
Energy: 0.6778426536664429
Energy: 0.7115641997667442
Energy: 0.585646354807628
Energy: 0.6720203230042573
Energy: 0.585646354808035
Energy: 0.6720202985875083
Energy: 0.585646354808035
Energy: 0.6720202330503618
Energy: 0.6301365734750842
Energy: 0.6045597665477725
Energy: 0.6301365734779335
Energy: 0.6045597665477725
Energy: 0.6301365734742702
Energy: 0.6045597665485866

minimum gb energy = 0.34731320342803 eV
minimum distance =  2.36725175053361 Angstroms
sigma value = 57


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

Energy: 0.6005317009234146
Energy: 0.5548920221989369
Energy: 0.6005317009234146
Energy: 0.5548920221989369
Energy: 0.6005317009227519
Energy: 0.5548920221989369
Energy: 0.6132072309148131
Energy: 0.6006253828249328
Energy: 0.613207230912162
Energy: 0.6006253828242701
Energy: 0.6132072309154758
Energy: 0.6006253828249328
Energy: 0.6490004076024563
Energy: 0.6465735582249696
Energy: 0.6490004076017936
Energy: 0.6465735582262951
Energy: 0.6490004076017936
Energy: 0.6465735582256324
Energy: 0.579268668614184
Energy: 0.68965932102652
Energy: 0.5792686686155095
Energy: 0.68965932102652
Energy: 0.579268668614184
Energy: 0.68965932102652
Energy: 0.6039238016356825
Energy: 0.5756450612359751
Energy: 0.6039238016078472
Energy: 0.5756450612359751
Energy: 0.6039238016310432
Energy: 0.5756450612346496
Energy: 0.6291353393639751
Energy: 0.5974062958080608
Energy: 0.6291353393653006
Energy: 0.5974062958073981
Energy: 0.6291353393653006
Energy: 0.5974062958080608
Energy: 0.5944326284938058
Energy: 0.6678831536108724
Energy: 0.5944326284944685
Energy: 0.6678831536102097
Energy: 0.5944326284931432
Energy: 0.667883153612198
Energy: 0.492480848520987
Energy: 0.5691808268838319
Energy: 0.4934567862174403
Energy: 0.5710120584301468
Energy: 0.4932540377570013
Energy: 0.5720742566915933
Energy: 0.639511727320805
Energy: 0.5982520994022005
Energy: 0.639511727320805
Energy: 0.5982520994015378
Energy: 0.639511727320805
Energy: 0.5982520994022005
Energy: 0.6100736001453152
Energy: 0.6439933055217444
Energy: 0.6100736001439897
Energy: 0.6439933055204189
Energy: 0.6100736001439897
Energy: 0.6439933055237326
Energy: 0.5502003473662396
Energy: 0.5291060668124168
Energy: 0.5502003473616606
Energy: 0.5280695290122418
Energy: 0.5502003473603352
Energy: 0.5280562716524445
Energy: 0.6576812543847458
Energy: 0.5814695309503494
Energy: 0.6576812543847458
Energy: 0.5814695309523377
Energy: 0.6576812543847458
Energy: 0.5814695309483613
Energy: 0.6095353361029042
Energy: 0.6443435101381477
Energy: 0.6095353361035669
Energy: 0.6443435101381477
Energy: 0.6095353361029042
Energy: 0.6443435101381477
Energy: 0.5778584510814571
Energy: 0.6374434902758568
Energy: 0.5778584510801316
Energy: 0.6374434902765196
Energy: 0.5778584510814571
Energy: 0.6374434902771822
Energy: 0.7011959285435637
Energy: 0.6109322878617475
Energy: 0.7011959285442265
Energy: 0.6109322878637357
Energy: 0.7011959285442265
Energy: 0.6109322878617475
Energy: 0.607540029890347
Energy: 0.6101846482236156
Energy: 0.6075400298910097
Energy: 0.6101846482441605
Energy: 0.607540029890347
Energy: 0.6101846482454861
Energy: 0.638111949188365
Energy: 0.6114577066969688
Energy: 0.6381119491877023
Energy: 0.6114577066969688
Energy: 0.638111949188365
Energy: 0.6114577066777492
Energy: 0.5875945814488494
Energy: 0.6102497900773495
Energy: 0.5875945814495122
Energy: 0.6102497900746986
Energy: 0.587594581446861
Energy: 0.6102497900760241
Energy: 0.5866042290034098
Energy: 0.6378584959714111
Energy: 0.586604229002747
Energy: 0.6378584959707483
Energy: 0.5866042290034098
Energy: 0.6378584959727366
Energy: 0.5906193948807711
Energy: 0.6842958827457991
Energy: 0.5906193948801084
Energy: 0.6842958827457991
Energy: 0.5906193948801084
Energy: 0.6842958827457991
Energy: 0.6051500143837435
Energy: 0.6263495896664392
Energy: 0.6051500143585591
Energy: 0.6263495896855986
Energy: 0.6051500143638611
Energy: 0.6263495896313138
Energy: 0.578332451252669
Energy: 0.7462673750022033
Energy: 0.5783324512533317
Energy: 0.7462673750015405
Energy: 0.5783324512553197
Energy: 0.7462673750008778
Energy: 0.6279925996386064
Energy: 0.661146358912055
Energy: 0.6279925996392692
Energy: 0.661146358912055
Energy: 0.6279925996386064
Energy: 0.6611463589107295
Energy: 0.6596195050179257
Energy: 0.6131375144414606
Energy: 0.6596195050132865
Energy: 0.6131375144580291
Energy: 0.659619505011961
Energy: 0.6131375144838762
Energy: 0.6623364722612737
Energy: 0.6252352508075297
Energy: 0.6623364722387404
Energy: 0.6252352508062042
Energy: 0.6623364722413914
Energy: 0.6252352508048787
Energy: 0.6101782647337662
Energy: 0.660315920057189
Energy: 0.6101782647344289
Energy: 0.660315920057189
Energy: 0.6101782647337662
Energy: 0.660315920057189
Energy: 0.5736104295912895
Energy: 0.6513650818236425
Energy: 0.5736104295912895
Energy: 0.6513650818111105
Energy: 0.573610429592615
Energy: 0.6513650818461758

minimum gb energy = 0.492480848520987 eV
minimum distance =  2.34436280290612 Angstroms
sigma value = 43


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

Energy: 0.5701627439521813
Energy: 0.5243149514143284
Energy: 0.5701627439579758
Energy: 0.5243149514143284
Energy: 0.5701627439618389
Energy: 0.5243149514143284
Energy: 0.5921713708319291
Energy: 0.5845071465389102
Energy: 0.5921713708333777
Energy: 0.5845071465384275
Energy: 0.5921713708328948
Energy: 0.5845071465393932
Energy: 0.5408016262078857
Energy: 0.5835656529314192
Energy: 0.5408016261977452
Energy: 0.5835656529294878
Energy: 0.5408016261552958
Energy: 0.5835656529309364
Energy: 0.6204484980518505
Energy: 0.5734295173171724
Energy: 0.6204484980542648
Energy: 0.5734295173171724
Energy: 0.6204484980518505
Energy: 0.5734295173176553
Energy: 0.5926661909457465
Energy: 0.4903129809149779
Energy: 0.592666190948161
Energy: 0.4903129809106319
Energy: 0.5926661909462293
Energy: 0.4903129809106319
Energy: 0.5217908858927665
Energy: 0.5193306372521311
Energy: 0.5217908858932494
Energy: 0.5193306372521311
Energy: 0.5217908858942152
Energy: 0.5193306372511654
Energy: 0.49943187303137526
Energy: 0.5637302933662792
Energy: 0.499431873032341
Energy: 0.5637302933662792
Energy: 0.4994318730333067
Energy: 0.5637302933653134
Energy: 0.5928872547996781
Energy: 0.46807757577756576
Energy: 0.592887254800644
Energy: 0.4680775757756343
Energy: 0.5928872548011268
Energy: 0.46807757577370274
Energy: 0.5064560381960421
Energy: 0.5111216739804674
Energy: 0.5064560381945935
Energy: 0.5111216739795017
Energy: 0.506456038196525
Energy: 0.5111216739799845
Energy: 0.598994164159944
Energy: 0.5379191691707925
Energy: 0.5989941641580124
Energy: 0.5379191691703096
Energy: 0.5989941641609097
Energy: 0.5379191691717583
Energy: 0.6607797282411293
Energy: 0.4840211052175518
Energy: 0.6607797282425779
Energy: 0.4840211058527128
Energy: 0.6607797282411293
Energy: 0.48402109544935634
Energy: 0.5136249617538641
Energy: 0.5122893121282361
Energy: 0.5136249617543469
Energy: 0.5122893121272704
Energy: 0.5136249617543469
Energy: 0.512289312128719
Energy: 0.5992176268333811
Energy: 0.5123465579549701
Energy: 0.5992176268333811
Energy: 0.5123465579544872
Energy: 0.5992176268319325
Energy: 0.5123465579559358
Energy: 0.6516863302105133
Energy: 0.4907753658545028
Energy: 0.6516863302100304
Energy: 0.4907747610081654
Energy: 0.6516863302109961
Energy: 0.49077375374483556
Energy: 0.5299499640516327
Energy: 0.5134173530638372
Energy: 0.529949964050667
Energy: 0.5134173530657687
Energy: 0.5299499640516327
Energy: 0.5134173530652859
Energy: 0.5447091402080145
Energy: 0.5216799596481533
Energy: 0.5447091402065659
Energy: 0.5216799596481533
Energy: 0.5447091402075316
Energy: 0.5216799596476703
Energy: 0.4995867294832315
Energy: 0.4495986217846446
Energy: 0.4995867294841973
Energy: 0.45002653174008816
Energy: 0.4995867294841973
Energy: 0.44980721660183354
Energy: 0.5457511308782045
Energy: 0.4900197829036595
Energy: 0.5457511308782045
Energy: 0.4900197829036595
Energy: 0.5457511308786873
Energy: 0.49001978290317655
Energy: 0.5207638592696061
Energy: 0.5424699406504491
Energy: 0.5207638592691233
Energy: 0.5424699406509319
Energy: 0.5207638592691233
Energy: 0.5424699406494832
Energy: 0.5233989116923154
Energy: 0.5087703408963195
Energy: 0.523398911693764
Energy: 0.5087703408968023
Energy: 0.5233989116913497
Energy: 0.5087703408968023
Energy: 0.5874026045757555
Energy: 0.541526673833746
Energy: 0.5874026045762384
Energy: 0.5415266738327802
Energy: 0.5874026045762384
Energy: 0.5415266738342289
Energy: 0.5911046846060499
Energy: 0.5888242395552657
Energy: 0.5911046846046012
Energy: 0.5888242395557487
Energy: 0.591104684605567
Energy: 0.5888242395547828
Energy: 0.5572881001957113
Energy: 0.5842567207667568
Energy: 0.5572881001961942
Energy: 0.5842567207667568
Energy: 0.5572881001957113
Energy: 0.5842567207677226
Energy: 0.5403827357839286
Energy: 0.5269286162874103
Energy: 0.5403827356762906
Energy: 0.5269286162864445
Energy: 0.5403827352226042
Energy: 0.5269286162840301
Energy: 0.5456880384942203
Energy: 0.5388148264019474
Energy: 0.5456880384951861
Energy: 0.5388148264024304
Energy: 0.5456880384947033
Energy: 0.5388148264009818
Energy: 0.5488497528849268
Energy: 0.5664854360725287
Energy: 0.5488497528858924
Energy: 0.5664854360725287
Energy: 0.5488497528844438
Energy: 0.5664854360720458
Energy: 0.512467288445522
Energy: 0.5061854703453006
Energy: 0.5124672884440733
Energy: 0.5061854703453006
Energy: 0.5124672884184809
Energy: 0.5061854703515778
Energy: 0.4656187084484412
Energy: 0.5674402304471741
Energy: 0.4656187084508556
Energy: 0.5674402304476569
Energy: 0.4656187084503728
Energy: 0.5674402304471741
Energy: 0.5055508712033951
Energy: 0.5376902725607616
Energy: 0.5055508712033951
Energy: 0.537690272559796
Energy: 0.505550871203878
Energy: 0.537690272559796
Energy: 0.5275628852000426
Energy: 0.4971748974544418
Energy: 0.5275628852005255
Energy: 0.4971748968154178
Energy: 0.5275628852019741
Energy: 0.49717489472692383
Energy: 0.4691441362870505
Energy: 0.5028828414354617
Energy: 0.4691441362884991
Energy: 0.502882841434057
Energy: 0.46914413628898205
Energy: 0.5028828414335741
Energy: 0.5052069155988729
Energy: 0.5221707004965183
Energy: 0.5052069155983899
Energy: 0.5221707004960353
Energy: 0.5052069155988729
Energy: 0.5221707004965183
Energy: 0.5113591372747739
Energy: 0.49925744982736187
Energy: 0.5113591371720085
Energy: 0.4992574498292934
Energy: 0.511359136970736
Energy: 0.49925744982881054
Energy: 0.4866220814649714
Energy: 0.509320670331921
Energy: 0.48662208268950763
Energy: 0.5093206703275751
Energy: 0.4866220753670046
Energy: 0.5093206703246779
Energy: 0.5059061627329344
Energy: 0.5054759392157362
Energy: 0.5059061627348658
Energy: 0.5054759392152534
Energy: 0.5059061627353486
Energy: 0.5054759392152534
Energy: 0.46064029035922854
Energy: 0.4993938829266036
Energy: 0.46064029035922854
Energy: 0.49939388292901804
Energy: 0.46064029035922854
Energy: 0.49939388292515496

minimum gb energy = 0.4495986217846446 eV
minimum distance =  2.35488637079322 Angstroms
sigma value = 81


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

Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.0068213937075982225
Energy: 0.7344864143908159
Energy: -0.006984802515052614
Energy: 0.7344864143908159
Energy: -0.006984813237164119
Energy: 0.7344864143925901
Energy: -0.00698481340563336
Energy: 0.7344818010525607
Energy: -0.007291875481341374
Energy: 0.7344818010525607
Energy: -0.007291869013703197
Energy: 0.7344818010525607
Energy: -0.0072918701061322685
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: 0.7344864143908159
Energy: -0.006984813673418001
Energy: 0.7344864143908159
Energy: -0.006984798159529999
Energy: 0.7344864143908159
Energy: -0.006984808032158143
Energy: 0.7344818010525607
Energy: -0.007291873253942528
Energy: 0.7344818010525607
Energy: -0.007291876025822023
Energy: 0.7344818010525607
Energy: -0.007291874411977023
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: 0.7344864143908159
Energy: -0.006984811291703266
Energy: 0.7344864143908159
Energy: -0.006984807303280691
Energy: 0.7344864143908159
Energy: -0.006984810424518132
Energy: 0.7344818010525607
Energy: -0.007291872737889549
Energy: 0.7344818010525607
Energy: -0.007291874076812752
Energy: 0.7344818010525607
Energy: -0.0072918759176355775
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014
Energy: -0.03440476414586715
Energy: -0.006821393705824014

minimum gb energy = -0.03440476414586715 eV
minimum distance =  2.52918698626183 Angstroms
sigma value = 3


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

Energy: 0.36560547593054826
Energy: 0.35451292502626297
Energy: 0.3656054759310792
Energy: 0.35451292502626297
Energy: 0.36560547593054826
Energy: 0.35451292502626297
Energy: 0.223975185139454
Energy: 0.27272092893772665
Energy: 0.22397518513786116
Energy: 0.27272092893772665
Energy: 0.223975185139454
Energy: 0.2727209289382576
Energy: 0.34232554445893143
Energy: 0.27083323778033963
Energy: 0.34232554445840047
Energy: 0.27083323778033963
Energy: 0.3423255444472508
Energy: 0.27083323777980867
Energy: 0.3005572646135157
Energy: 0.28590124672296185
Energy: 0.3005572646135157
Energy: 0.2859012379313673
Energy: 0.3005572646135157
Energy: 0.28590122003135354
Energy: 0.2898139407431369
Energy: 0.2703835804438372
Energy: 0.2898139407436678
Energy: 0.27038358044330624
Energy: 0.2898139407431369
Energy: 0.2703835804438372
Energy: 0.337470147113193
Energy: 0.2991904003517609
Energy: 0.3374701471031052
Energy: 0.29919040035229183
Energy: 0.3374701471020433
Energy: 0.29919040035229183
Energy: 0.3138025732387866
Energy: 0.4342343190453473
Energy: 0.31380257323931754
Energy: 0.4342343190448164
Energy: 0.31380257323931754
Energy: 0.4342343190448164
Energy: 0.15195625882100494
Energy: 0.28622559236099604
Energy: 0.15195625881675745
Energy: 0.28622559236046513
Energy: 0.15195625882206681
Energy: 0.28622559236099604
Energy: 0.3476088874775035
Energy: 0.3109970370237018
Energy: 0.3476088874775035
Energy: 0.3109970370237018
Energy: 0.34760888747644164
Energy: 0.3109970370237018
Energy: 0.31431844103125306
Energy: 0.2764184056667738
Energy: 0.31431844103072215
Energy: 0.276418405707656
Energy: 0.3143184410301912
Energy: 0.2764184053605679
Energy: -1.2136803237837128
Energy: 0.2852091207138687
Energy: -1.2012290178928364
Energy: 0.2852091207138687
Energy: -1.2093433748832858
Energy: 0.28520912071333776
Energy: 0.3595567520736711
Energy: 0.3557390441271442
Energy: 0.3595567623082563
Energy: 0.3557388911577429
Energy: 0.35955675972322
Energy: 0.3557384224799582
Energy: 0.28536198380126276
Energy: 0.2500606586337389
Energy: 0.28536198380126276
Energy: 0.25006065863480076
Energy: 0.28536198380126276
Energy: 0.2500606586337389
Energy: 0.42302031069401164
Energy: 0.3102597478548171
Energy: 0.42302031069348073
Energy: 0.31025974785587895
Energy: 0.4230203106950736
Energy: 0.31025974785640986
Energy: 0.3136638562919967
Energy: 0.338803944039151
Energy: 0.3136638562919967
Energy: 0.3388039440455222
Energy: 0.31366385629252763
Energy: 0.33880394402640845
Energy: 0.285327407718949
Energy: 0.2912277258533729
Energy: 0.28532740771363957
Energy: 0.2912277258533729
Energy: 0.285327407718949
Energy: 0.2912277258533729
Energy: 0.2616616432403288
Energy: 0.4118569064056736
Energy: 0.26166164323289576
Energy: 0.41185690640514266
Energy: 0.2616616432255109
Energy: 0.41185690640514266
Energy: 0.2784653420357456
Energy: 0.2998745902850024
Energy: 0.27846534203521467
Energy: 0.2998745878867594
Energy: 0.27846534203521467
Energy: 0.2998745817895742
Energy: 0.28518880299850835
Energy: 0.22648818882603083
Energy: 0.28518880299797744
Energy: 0.22648818882815458
Energy: 0.28518880299850835
Energy: 0.22648818882815458
Energy: 0.31778616891234135
Energy: 0.3283738586926938
Energy: 0.31778616889800604
Energy: 0.3283738586926938
Energy: 0.31778616881629
Energy: 0.3283738586926938
Energy: 0.26997666305967566
Energy: 0.14699002905987812
Energy: 0.26997666306126844
Energy: 0.14699002989412516
Energy: 0.2699766630617994
Energy: 0.14699002988403734
Energy: 0.2708052107679581
Energy: 0.2972125925328785
Energy: 0.2708052107679581
Energy: 0.2972125925328785
Energy: 0.27080521076848907
Energy: 0.2972125925334095
Energy: 0.3919681742258698
Energy: 0.3261903149558732
Energy: 0.391968174224277
Energy: 0.3261903149558732
Energy: 0.3919681742285245
Energy: 0.3261903149553423
Energy: 0.2533256976721942
Energy: 0.14777619740769582
Energy: 0.2212802483928375
Energy: 0.14777619740769582
Energy: 0.22045158220439412
Energy: 0.14777619740822676
Energy: 0.26627217443490037
Energy: 0.32181014809525926
Energy: 0.2662721744354313
Energy: 0.32181014803844904
Energy: 0.26627217443490037
Energy: 0.32181014793124796
Energy: 0.34139902033898684
Energy: 0.28350301231372377
Energy: 0.34139902033739405
Energy: 0.2835030123131928
Energy: 0.3413990203384559
Energy: 0.2835030123131928
Energy: 0.31309079949682705
Energy: 0.207470413883014
Energy: 0.31309078257909523
Energy: 0.20747041388354495
Energy: 0.31309074148745875
Energy: 0.20747041388460682
Energy: 0.3141341200756178
Energy: 0.3532092252923773
Energy: 0.31413412007508684
Energy: 0.3532092252923773
Energy: 0.3141341200756178
Energy: 0.35320922529343923
Energy: 0.3586432195647762
Energy: 0.2838012259475652
Energy: 0.35864321956583806
Energy: 0.28380122594809615
Energy: 0.358643219566369
Energy: 0.2838012259465033
Energy: 0.31609210692626644
Energy: 0.41981213228297165
Energy: 0.31609210692520456
Energy: 0.41981213228297165
Energy: 0.3160921069230808
Energy: 0.4198121322840335
Energy: 0.3708666769906554
Energy: 0.3519547532778971
Energy: 0.37086652824567934
Energy: 0.3519547532778971
Energy: 0.37086613497365867
Energy: 0.3519547532778971
Energy: 0.3511524416373846
Energy: 0.29932782507093914
Energy: 0.35115244163844644
Energy: 0.29932782507093914
Energy: 0.35115244163844644
Energy: 0.29932782507040817
Energy: 0.26575758509073133
Energy: 0.3322167141377326
Energy: 0.26575758509073133
Energy: 0.33221671412286635
Energy: 0.26575758509126224
Energy: 0.33221671408516984

minimum gb energy = -1.2136803237837128 eV
minimum distance =  2.37050139330691 Angstroms
sigma value = 67


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

Energy: 0.33456812124999175
Energy: 0.42800283601060884
Energy: 0.33456812124999175
Energy: 0.42800283600985234
Energy: 0.3345681212522614
Energy: 0.42800283600985234
Energy: 0.4157258130026842
Energy: 0.05093440594368308
Energy: 0.41572581300117123
Energy: 0.05093440593157867
Energy: 0.41572581300041467
Energy: 0.050934405941413505
Energy: 0.4735201407753235
Energy: 0.4122190101675643
Energy: 0.47352014077608007
Energy: 0.4122190101675643
Energy: 0.4735201407768366
Energy: 0.4122190101675643
Energy: 0.3605002956313948
Energy: 0.5081707841538118
Energy: 0.3605002956155077
Energy: 0.5081707841530552
Energy: 0.36050029563215125
Energy: 0.5081707841545683
Energy: 0.4620742729746931
Energy: 0.276374140121598
Energy: 0.4620742729754496
Energy: 0.27637414012008493
Energy: 0.4620742729754496
Energy: 0.2763741401185719
Energy: 0.484683508141139
Energy: 0.428323639612969
Energy: 0.484683508141139
Energy: 0.428323639612969
Energy: 0.48468350814189554
Energy: 0.428323639612969
Energy: 0.31097732111459225
Energy: 0.4901451977733065
Energy: 0.31097732111459225
Energy: 0.4901451975963483
Energy: 0.3109773211161053
Energy: 0.49014519719257005
Energy: 0.5511807278671054
Energy: 0.2889459628548527
Energy: 0.5511807278671054
Energy: 0.2889459628548527
Energy: 0.5511807278671054
Energy: 0.2889459628548527
Energy: 0.49992514137409716
Energy: -2.1602747078138407
Energy: 0.4999251413763668
Energy: -2.194942517327869
Energy: 0.4999251413748537
Energy: -2.1232065162878917
Energy: 0.4306641276889831
Energy: 0.4630412595420967
Energy: 0.4306641276882266
Energy: 0.4630412595420967
Energy: 0.4306641276889831
Energy: 0.4630412595420967
Energy: 0.448324243469674
Energy: 0.4323794460077322
Energy: 0.4483242377226257
Energy: 0.43237944601000183
Energy: 0.44832422350778844
Energy: 0.43237944600848877
Energy: 0.4295925604010222
Energy: 0.4245514186158083
Energy: 0.42959256040033444
Energy: 0.42455009127933846
Energy: 0.42959256040033444
Energy: 0.42454340881668007
Energy: 0.4323198889118722
Energy: 0.43852446696321806
Energy: 0.4323198889111156
Energy: 0.4385244669639745
Energy: 0.4323198889118722
Energy: 0.4385244669647311
Energy: 0.4688360915491685
Energy: 0.06364200025895456
Energy: 0.468836091548412
Energy: 0.0636420002574415
Energy: 0.46883609154765543
Energy: 0.06364200025517193
Energy: 0.3707044792327189
Energy: 0.3931519144981577
Energy: 0.3707044792349884
Energy: 0.39315191450042725
Energy: 0.3707044792334753
Energy: 0.3931519144989142
Energy: 0.05700370010965631
Energy: 0.44301420155387894
Energy: 0.05700370010965631
Energy: 0.4430142015531225
Energy: 0.05700370010965631
Energy: 0.4430142015531225
Energy: 0.49424604292692015
Energy: 0.061766942795889034
Energy: 0.4942460429185984
Energy: 0.061766942795889034
Energy: 0.4942460428595895
Energy: 0.06176694279437599
Energy: 0.3459004561066813
Energy: 0.43450719023709133
Energy: 0.3459004560847421
Energy: 0.43450719023709133
Energy: 0.345900456081716
Energy: 0.43450719023709133
Energy: 0.31008341698572545
Energy: 0.47377730432579107
Energy: 0.3100834169842124
Energy: 0.47377730432730414
Energy: 0.3100834169834558
Energy: 0.47377730432730414
Energy: 0.7364360360659217
Energy: 0.05086103498939826
Energy: 0.7364360360651652
Energy: 0.05086103498939826
Energy: 0.7364360360644087
Energy: 0.05086103498939826
Energy: 0.35542978626588795
Energy: 0.4387442495552116
Energy: -2.5300100285412226
Energy: 0.4387442495552116
Energy: -2.535513507303792
Energy: 0.4387442495552116
Energy: 0.3966445723544141
Energy: -2.1022703782965815
Energy: 0.39664457235592715
Energy: -2.2508914161879128
Energy: 0.3966445723551706
Energy: -1.8521470897725834
Energy: 0.4731979487397774
Energy: 0.052899091135848814
Energy: 0.4731979487382643
Energy: 0.05289909113736187
Energy: 0.4731979487390209
Energy: 0.05289909113660535

minimum gb energy = -2.535513507303792 eV
minimum distance =  2.36321854270965 Angstroms
sigma value = 33


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

Energy: 0.45432036602542114
Energy: 0.5676814216213406
Energy: 0.45432036602542114
Energy: 0.5676814216208608
Energy: 0.4543203660249412
Energy: 0.5676814216208608
Energy: 0.49565031754711103
Energy: 0.384701608561855
Energy: 0.4956503175456713
Energy: 0.3847016085628148
Energy: 0.49565031754711103
Energy: 0.3847016085608952
Energy: 0.43537092903403485
Energy: 0.37735489369040454
Energy: 0.43537092903547464
Energy: 0.3773548936913644
Energy: 0.43537092903403485
Energy: 0.3773548936908845
Energy: 0.3864054656012485
Energy: 0.6068138158941616
Energy: 0.38640546559980865
Energy: 0.606813815891762
Energy: 0.38640546560076855
Energy: 0.6068138158932018
Energy: 0.5832014803832416
Energy: 0.42611850870533685
Energy: 0.5832014803832416
Energy: 0.42611850870581686
Energy: 0.5832014803837214
Energy: 0.42611850870821644
Energy: -0.8994704169777417
Energy: 0.5796884775080172
Energy: -1.2259208389212035
Energy: 0.5796884422352598
Energy: -1.7686699756771234
Energy: 0.5796883633743868
Energy: 0.3756033419547272
Energy: 0.6096020037516572
Energy: 0.3756033419537674
Energy: 0.6096020037506973
Energy: 0.3756033419542473
Energy: 0.6096020037516572
Energy: 0.6780701877232908
Energy: 0.563618454982911
Energy: 0.6780701877237708
Energy: 0.563618454982911
Energy: 0.6780701877232908
Energy: 0.5636184549819511
Energy: 0.5263507970569954
Energy: 0.560031733839567
Energy: 0.5263507970574752
Energy: 0.5600317338371673
Energy: 0.5263507970560356
Energy: 0.5600317338400469
Energy: 0.0707694040599744
Energy: 0.6064805226280849
Energy: 0.0707694040604543
Energy: 0.5943001801214078
Energy: 0.07076940406141416
Energy: 0.5682268445339246
Energy: 0.5895394342774367
Energy: 0.4248542897259457
Energy: 0.5895394342779167
Energy: 0.4248542897259457
Energy: 0.5895394342779167
Energy: 0.424854289724026
Energy: 0.5106797139741566
Energy: 0.5412376904247523
Energy: 0.5106797139751165
Energy: 0.5412376904252323
Energy: 0.5106797139755964
Energy: 0.5412376904233126
Energy: 0.08538910715665769
Energy: 0.4590368877208494
Energy: 0.08538910715761754
Energy: 0.45903688772180923
Energy: 0.08538910715617777
Energy: 0.45903688772180923
Energy: 0.5176868177176233
Energy: 0.38422602309551107
Energy: 0.5176868177181031
Energy: 0.38422602309599097
Energy: 0.5176868177181031
Energy: 0.38422602309551107
Energy: 0.467975142248537
Energy: 0.532561679745947
Energy: 0.46797514224709713
Energy: 0.532561679746427
Energy: 0.46797514225141645
Energy: 0.5325616797473867
Energy: 0.3899359217486872
Energy: 0.5242155942592378
Energy: 0.38993592174724745
Energy: 0.5242155942520388
Energy: 0.3899359217477274
Energy: 0.5242155941968912
Energy: 0.5869013595715102
Energy: 0.3757005434046823
Energy: 0.5869013595719902
Energy: 0.37570054340420234
Energy: 0.5869013595710303
Energy: 0.3757005434051622
Energy: 0.45584027113367825
Energy: -1.2284024640999278
Energy: 0.45584018262203274
Energy: -1.2612877674635434
Energy: 0.45583409346756515
Energy: -1.3043875494748158
Energy: 0.49204808224743607
Energy: 0.6345056628283972
Energy: 0.492048082247916
Energy: 0.6345056628274374
Energy: 0.4920480822498357
Energy: 0.6345056628269575
Energy: 0.6090132641360723
Energy: 0.3843333100626718
Energy: 0.6090132641355923
Energy: 0.3843333100621919
Energy: 0.6090132641360723
Energy: 0.3843333100621919
Energy: 0.3762571269160551
Energy: 0.5274908221958259
Energy: 0.376257126916535
Energy: 0.5274908221967858
Energy: 0.37625712691701496
Energy: 0.5274908221771089
Energy: 0.48211043089132416
Energy: 0.570159340499801
Energy: 0.48211043089132416
Energy: 0.570159340499801
Energy: 0.48211043089228406
Energy: 0.5701593405002808
Energy: 0.6150750733986864
Energy: 0.4241657708889439
Energy: 0.6150750678834296
Energy: 0.42416577088990376
Energy: 0.6150750522045351
Energy: 0.42416577089086366
Energy: 0.07904868046159379
Energy: 0.545136442942906
Energy: 0.07904868046303357
Energy: 0.545136442942426
Energy: 0.07904868046159379
Energy: 0.545136442942426
Energy: 0.5140045835968704
Energy: 0.5233041264909315
Energy: 0.5140045836002298
Energy: 0.5233041264894916
Energy: 0.5140045835983101
Energy: 0.5233041264904515
Energy: 0.6806208919800907
Energy: 0.5248617304836172
Energy: 0.6806208919796108
Energy: 0.5248617304836172
Energy: 0.6806208919805706
Energy: 0.5248617304840969
Energy: 0.3772615794269663
Energy: 0.5601101310251977
Energy: 0.3772615794260065
Energy: 0.5601101310242378
Energy: 0.37726157942360683
Energy: 0.5601101310247178
Energy: 0.37580100398001204
Energy: -0.6879778199526738
Energy: 0.3758010039795321
Energy: 0.5862550513335612
Energy: 0.3758010039795321
Energy: 0.5861877988668668
Energy: 0.6147731266750356
Energy: 0.4247180680894143
Energy: 0.6147731266745556
Energy: 0.4247180680922939
Energy: 0.6147731266759955
Energy: 0.4247180680918139
Energy: 0.3865246691871325
Energy: 0.6077713049762319
Energy: 0.3865246691876124
Energy: 0.6077713049771918
Energy: 0.3865246691876124
Energy: 0.6077713049771918
Energy: -1.1281023031785964
Energy: -0.9989549951919177
Energy: -1.0590296176386258
Energy: -1.375253525273751
Energy: -1.1093783247117146
Energy: -1.3788500689348528
Energy: 0.5749161125346827
Energy: 0.3848040479382142
Energy: 0.5749161125346827
Energy: 0.38480404793725437
Energy: 0.5749161125342028
Energy: 0.3848040479362945
Energy: 0.49110664834264417
Energy: 0.5233679768894524
Energy: 0.49110664834264417
Energy: 0.523367976852498
Energy: 0.49110664834264417
Energy: 0.5233679767791132
Energy: 0.466143432750371
Energy: 0.38505441206668073
Energy: 0.466143432750371
Energy: 0.3850544120671607
Energy: 0.4661434327508509
Energy: 0.38505441206284136
Energy: 0.548593508304467
Energy: 0.37836246523058986
Energy: 0.5485935083049469
Energy: 0.3783624652286701
Energy: 0.548593508303987
Energy: 0.3783624652329895
Energy: 0.08493346989174462
Energy: 0.47531426266458626
Energy: 0.08493346988838514
Energy: 0.47531426266458626
Energy: 0.08493346988982492
Energy: 0.47531426266410637
Energy: 0.5121402140295733
Energy: 0.4919387917725218
Energy: 0.5121402140300533
Energy: 0.4919387917715619
Energy: 0.5121402140286135
Energy: 0.4919387917720418

minimum gb energy = -1.7686699756771234 eV
minimum distance =  2.37959904988848 Angstroms
sigma value = 41


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

Energy: 0.7025396913414871
Energy: 0.729860735139305
Energy: 0.7025396913414871
Energy: 0.729860735139305
Energy: 0.7025396913401768
Energy: 0.7298607351379949
Energy: 0.7556418060632111
Energy: 0.7281250560501934
Energy: 0.7556418060632111
Energy: 0.7281250560515037
Energy: 0.7556418060632111
Energy: 0.7281250560501934
Energy: 0.7956501768890569
Energy: 0.7259060251502321
Energy: 0.7956501768903673
Energy: 0.7259060251502321
Energy: 0.7956501768890569
Energy: 0.7259060251502321
Energy: 0.6971071852744466
Energy: 0.8146241728165432
Energy: 0.6971071852744466
Energy: 0.8146241728165432
Energy: 0.6971071852744466
Energy: 0.8146241728178536
Energy: 0.7951175912708247
Energy: 0.7333331568992358
Energy: 0.7951175912708247
Energy: 0.7333331568992358
Energy: 0.7951175912721351
Energy: 0.7333331568979256
Energy: 0.8112928375217678
Energy: 0.8068781782778163
Energy: 0.8112928375217678
Energy: 0.8068781782778163
Energy: 0.8112928375230781
Energy: 0.8068781782778163
Energy: 0.6979902259822698
Energy: 0.7742649513017661
Energy: 0.6979902259822698
Energy: 0.7742649513017661
Energy: 0.6979902259822698
Energy: 0.7742649513017661
Energy: 0.7415329391737944
Energy: 0.7287710136916952
Energy: 0.7415329391751047
Energy: 0.7287710136916952
Energy: 0.7415329391751047
Energy: 0.7287710136916952
Energy: 0.7611863180318384
Energy: 0.7488716068660723
Energy: 0.7611863180318384
Energy: 0.7488716068660723
Energy: 0.7611863180331488
Energy: 0.7488716068660723
Energy: 0.6976055023878815
Energy: 0.7999187687747666
Energy: 0.6976055023878815
Energy: 0.7999187687747666
Energy: 0.697605502389192
Energy: 0.7999187687747666
Energy: 0.7554908529537355
Energy: 0.7267947329782123
Energy: 0.7554908529537355
Energy: 0.7267947329782123
Energy: 0.7554908529537355
Energy: 0.7267947329782123
Energy: 0.7550242967557875
Energy: 0.7268184806855364
Energy: 0.7550242967544772
Energy: 0.7268184806855364
Energy: 0.7550242967584082
Energy: 0.7268184806855364
Energy: 0.7318731610270909
Energy: 0.8114489050414682
Energy: 0.7318731610270909
Energy: 0.8114489050388475
Energy: 0.7318731610257805
Energy: 0.8114489050388475
Energy: 0.7939423621693152
Energy: 0.728454225971135
Energy: 0.7939423621693152
Energy: 0.728454225971135
Energy: 0.7939423621680048
Energy: 0.728454225971135

minimum gb energy = 0.6971071852744466 eV
minimum distance =  2.36976272061517 Angstroms
sigma value = 11


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

Energy: 0.8544766754408122
Energy: 0.9176713406348159
Energy: 0.8544766754408122
Energy: 0.9176713406348159
Energy: 0.8544766754408122
Energy: 0.9176713406348159
Energy: 0.9160411455923161
Energy: 0.870057252379913
Energy: 0.9160411455928918
Energy: 0.8700572523764593
Energy: 0.9160411455923161
Energy: 0.8700572523833408
Energy: 1.007098666195356
Energy: 0.8890368466538858
Energy: 1.007098666195356
Energy: 0.8890368466538858
Energy: 1.0070986661959318
Energy: 0.8890368466538858
Energy: 0.850381215102993
Energy: 0.9552755025042204
Energy: 0.8503812151035686
Energy: 0.9552755025053717
Energy: 0.8503812151035686
Energy: 0.9552755025042204
Energy: 0.9817697571170778
Energy: 0.9098893873810942
Energy: 0.9046542003029691
Energy: 0.9098893873799431
Energy: 0.9046960004197429
Energy: 0.9098893873799431
Energy: 0.889218127064178
Energy: 0.8836125218279117
Energy: 0.8892181270647538
Energy: 0.8836125218192772
Energy: 0.8892181270636025
Energy: 0.8836125218192772
Energy: 0.8729800383102557
Energy: 1.0050824515981789
Energy: 0.8729800383102557
Energy: 1.0050824515976033
Energy: 0.8729800383102557
Energy: 1.0050824515976033
Energy: 0.9691896843514668
Energy: 0.8641488012237946
Energy: 0.9691896843508913
Energy: 0.8641488012237946
Energy: 0.9691896843520424
Energy: 0.8641488012237946
Energy: 0.9575379792586671
Energy: 0.8647181324862206
Energy: 0.9575379792586671
Energy: 0.8647181324867962
Energy: 0.9575379792586671
Energy: 0.8647181324867962
Energy: 0.8962177453662244
Energy: 0.9609142460757255
Energy: 0.8962177453662244
Energy: 0.9609142460699692
Energy: 0.8962177453662244
Energy: 0.9609142460584827
Energy: 0.9659252071997129
Energy: 0.9018851589842617
Energy: 0.9659252072002885
Energy: 0.901885158985413
Energy: 0.9659252071991373
Energy: 0.9018851589842617
Energy: 0.9577189091921654
Energy: 0.9355346338848068
Energy: 0.9577189091927409
Energy: 0.9355346338848068
Energy: 0.9577189091927409
Energy: 0.9355346338853826
Energy: 0.8518965561407562
Energy: 0.9522692696563743
Energy: 0.8518965561401806
Energy: 0.9522692696563743
Energy: 0.8518965561401806
Energy: 0.9522692696581013
Energy: 0.9997554218440627
Energy: 0.8596362063107112
Energy: 0.9997554218452139
Energy: 0.8596362063107112
Energy: 0.9997554218457897
Energy: 0.8596362063107112
Energy: 0.9285111542177199
Energy: 0.8854324106433807
Energy: 0.9285111542171441
Energy: 0.8854324106428051
Energy: 0.9285111542177199
Energy: 0.8854324106439565
Energy: 0.8965658255092323
Energy: 0.9476905893825517
Energy: 0.896565825508081
Energy: 0.9476905893819761
Energy: 0.896565825508081
Energy: 0.9476905893819761
Energy: 0.9209974629602864
Energy: 0.8719111635269908
Energy: 0.9209974629608622
Energy: 0.8719111635264153
Energy: 0.9209974629602864
Energy: 0.8719111635264153
Energy: 0.9430869532207383
Energy: 0.9424297792693862
Energy: 0.943086953221314
Energy: 0.9424297792682349
Energy: 0.9430869532207383
Energy: 0.9424297792676593
Energy: 0.8877051336039281
Energy: 0.9407383892159661
Energy: 0.8877051336033525
Energy: 0.9407383892153905
Energy: 0.8877051336039281
Energy: 0.9407383892153905
Energy: 0.9337961523768501
Energy: 0.8852119418805131
Energy: 0.9337961523728207
Energy: 0.8852119418805131
Energy: 0.9337961523555518
Energy: 0.8852119418793617
Energy: 0.8771575342035043
Energy: 0.9263994069660081
Energy: 0.8771575342017773
Energy: 0.9263994069671592
Energy: 0.8771575342035043
Energy: 0.9263994069660081
Energy: 0.824063709305819
Energy: 1.0040699383353648
Energy: 0.824063709305819
Energy: 1.0040699383347893
Energy: 0.8240637093052432
Energy: 1.0040699383347893
Energy: 0.9758368818346507
Energy: 0.8883790916358285
Energy: 0.9758368818346507
Energy: 0.8883790916358285
Energy: 0.9758368818346507
Energy: 0.8883790916364043
Energy: 0.9638548850220492
Energy: 0.8685442026751384
Energy: 0.9638548850220492
Energy: 0.8685442026756879
Energy: 0.9638548850214737
Energy: 0.8685442026797174
Energy: 0.897339511109176
Energy: 0.9537715317646804
Energy: 0.897339511109176
Energy: 0.9537715317658316
Energy: 0.897339511109176
Energy: 0.9537715317658316
Energy: 0.9864593574478253
Energy: 0.9052981187097967
Energy: 0.9864593574478253
Energy: 0.9052981187103722
Energy: 0.9864593574472498
Energy: 0.9052981187097967
Energy: 0.8934562359382473
Energy: 1.0172603886406777
Energy: 0.8934562359388231
Energy: 1.0172603886406777
Energy: 0.8934562359382473
Energy: 1.0172603886406777
Energy: 0.8503590143548291
Energy: 0.9255332914785753
Energy: 0.8503590143548291
Energy: 0.9255332914785753
Energy: 0.8503590143548291
Energy: 0.9255332914791509
Energy: 0.9576300641293126
Energy: 0.8552801365823911
Energy: 0.9576300641281614
Energy: 0.855280136586996
Energy: 0.9576300641298884
Energy: 0.8552801365881472
Energy: 0.9097522239201934
Energy: 0.8878974374225278
Energy: 0.9097522239196176
Energy: 0.8878974374225278
Energy: 0.9097522239196176
Energy: 0.8878974374225278
Energy: 0.8901880744206782
Energy: 0.9930025302267861
Energy: 0.8901880744212537
Energy: 0.9930025302267861
Energy: 0.8901880744206782
Energy: 0.9930025302267861

minimum gb energy = 0.8240637093052432 eV
minimum distance =  2.32324644361222 Angstroms
sigma value = 57


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

Energy: 0.9680729510081145
Energy: 1.024106845437783
Energy: 0.9680729510101631
Energy: 1.0241068454367588
Energy: 0.9680729510070901
Energy: 1.024106845437783
Energy: 0.9631022458848828
Energy: 1.015037424270802
Energy: 0.9631022458838584
Energy: 1.015037424269778
Energy: 0.9631022458828342
Energy: 1.015037424270802
Energy: 1.1386495676155146
Energy: 1.0238900069382062
Energy: 1.1386495676155146
Energy: 1.0238900069382062
Energy: 1.13864956761449
Energy: 1.0238900069382062
Energy: 0.959883643433701
Energy: 1.0320101244689417
Energy: 0.9598836434357498
Energy: 1.0320101244699658
Energy: 0.9598836434316524
Energy: 1.0320101244699658
Energy: 1.138684951725794
Energy: 1.0239166140515301
Energy: 1.138684951725794
Energy: 1.0239166140515301
Energy: 1.1386849517247697
Energy: 1.0239166140515301
Energy: 0.9627643981819645
Energy: 1.014460840497777
Energy: 0.9627643981819645
Energy: 1.014460840497777
Energy: 0.9627643981840133
Energy: 1.0144608404967528
Energy: 0.9680729510091388
Energy: 1.0241068454388076
Energy: 0.9680729510111875
Energy: 1.0241068454388076
Energy: 0.9680729510111875
Energy: 1.0241068454398319
Energy: 0.9631022458828342
Energy: 1.015037424270802
Energy: 0.9631022458828342
Energy: 1.015037424270802
Energy: 0.9631022458828342
Energy: 1.015037424270802
Energy: 1.1386495676114172
Energy: 1.0238900069382062
Energy: 1.1386495676134658
Energy: 1.0238900069382062
Energy: 1.13864956761449
Energy: 1.0238900069382062
Energy: 0.959883643433701
Energy: 1.095569780154341
Energy: 0.9598836434367741
Energy: 1.095569780154341
Energy: 0.959883643433701
Energy: 1.0955697801553654
Energy: 1.1386849517247697
Energy: 1.0239166140525546
Energy: 1.1386849517247697
Energy: 1.0239166140525546
Energy: 1.1386849517247697
Energy: 1.0239166140525546
Energy: 0.9627643981840133
Energy: 1.0144608404988014
Energy: 0.9627643981840133
Energy: 1.014460840497777
Energy: 0.9627643981840133
Energy: 1.0144608404967528
Energy: 0.9680729510101631
Energy: 1.0241068454388076
Energy: 0.9680729510101631
Energy: 1.0241068454388076
Energy: 0.9680729510101631
Energy: 1.024106845437783
Energy: 0.9631022458818098
Energy: 1.015037424270802
Energy: 0.9631022458807855
Energy: 1.015037424269778
Energy: 0.9631022458807855
Energy: 1.015037424269778
Energy: 1.1386495676155146
Energy: 1.0238900069382062
Energy: 1.13864956761449
Energy: 1.0238900069382062
Energy: 1.1386495676155146
Energy: 1.0238900069382062
Energy: 0.9598836434367741
Energy: 1.095569780151268
Energy: 0.9598836434316524
Energy: 1.0955697801584383
Energy: 0.959883643433701
Energy: 1.0955697801563897
Energy: 1.138684951725794
Energy: 1.0239166140515301
Energy: 1.138684951725794
Energy: 1.0239166140515301
Energy: 1.1386849517247697
Energy: 1.0239166140525546

minimum gb energy = 0.9598836434316524 eV
minimum distance =  2.34530079314797 Angstroms
sigma value = 9


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

Energy: 1.1071067562739019
Energy: 0.995802427318808
Energy: 1.1071067562739019
Energy: 0.9958024273196445
Energy: 1.1071067562755748
Energy: 0.9958024273146261
Energy: 1.0030214589800612
Energy: 1.0672955929387906
Energy: 1.003021458979225
Energy: 1.0672955929387906
Energy: 1.003021458979225
Energy: 1.0672955929379542
Energy: 1.0598719850849931
Energy: 0.9917971057019382
Energy: 1.0598719850833205
Energy: 0.9917971057019382
Energy: 1.0598719850849931
Energy: 0.9917971057011017
Energy: 0.9961265741058491
Energy: 1.0811879840369814
Energy: 0.9961265741066855
Energy: 1.0811879840369814
Energy: 0.9961265741058491
Energy: 1.0811879840369814
Energy: 1.0493481234276156
Energy: 0.9833972059586016
Energy: 1.0493481234267794
Energy: 0.9833972059602745
Energy: 1.0493481234267794
Energy: 0.9833972059602745
Energy: 1.06862332404748
Energy: 1.0000895553782663
Energy: 1.0686233240491527
Energy: 1.0000895553791027
Energy: 1.0686233240491527
Energy: 1.0000895553782663
Energy: 0.9933336930435149
Energy: 1.1173355416551998
Energy: 0.9933336930443513
Energy: 1.1173355416551998
Energy: 0.9933336930435149
Energy: 1.1173355416551998
Energy: 0.9903273263696479
Energy: 1.0728542981012574
Energy: 0.9903273263688115
Energy: 1.0728542981012574
Energy: 0.9903273263704842
Energy: 1.0728542981020939
Energy: 1.100051042817087
Energy: 1.089240367465234
Energy: 1.1000510428162507
Energy: 1.089240367465234
Energy: 1.100051042815414
Energy: 1.089240367465234
Energy: 0.9960630694921386
Energy: 1.049918085848606
Energy: 0.9960630694913023
Energy: 1.0499180858477697
Energy: 0.9960630694921386
Energy: 1.0499180858469332
Energy: 1.0623435497551932
Energy: 1.0231160247094193
Energy: 1.0623435497526843
Energy: 1.0231160247094193
Energy: 1.0623435497535205
Energy: 1.0231160247094193
Energy: 1.1228002231594743
Energy: 1.0006466357345987
Energy: 1.1228002231578018
Energy: 1.0006466357354349
Energy: 1.1228002231578018
Energy: 1.0006466357345987
Energy: 0.9913461207219706
Energy: 1.0660845981593496
Energy: 0.9913461207219706
Energy: 1.0660845981593496
Energy: 0.9913461207202978
Energy: 1.066084598160186
Energy: 1.0736907337825505
Energy: 1.0825799539543128
Energy: 1.073690733783387
Energy: 1.0825799539543128
Energy: 1.073690733783387
Energy: 1.0825799539543128
Energy: 1.1143770450574764
Energy: 0.9980900517730303
Energy: 1.1143770450574764
Energy: 0.9980900517730303
Energy: 1.1143770450583126
Energy: 0.9980900517738668
Energy: 1.0658067418931525
Energy: 1.1065601376606669
Energy: 1.0658067418931525
Energy: 1.106560137661503
Energy: 1.0658067418931525
Energy: 1.1065601376598302
Energy: 0.9917785888134947
Energy: 1.0727151465330118
Energy: 0.99177858881684
Energy: 1.072715146535521
Energy: 0.9917785888126582
Energy: 1.0727151465346847
Energy: 1.2564146215144785
Energy: 1.0004316753565636
Energy: 1.2564146215144785
Energy: 1.0004316753573999
Energy: 1.2564146215153147
Energy: 1.000431675355727
Energy: 0.99477723244896
Energy: 1.0754606349976845
Energy: 0.99477723244896
Energy: 1.0754606349976845
Energy: 0.99477723244896
Energy: 1.0754606349976845
Energy: 1.0327212775475896
Energy: 1.0199103192740757
Energy: 1.032721277548426
Energy: 1.0199103192732393
Energy: 1.032721277548426
Energy: 1.0199103192740757
Energy: 1.0482903147172344
Energy: 1.002625930841176
Energy: 1.0482903147172344
Energy: 1.002625930841176
Energy: 1.0482903147172344
Energy: 1.0026259308403396

minimum gb energy = 0.9833972059586016 eV
minimum distance =  2.32937477639782 Angstroms
sigma value = 27


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

Energy: 1.0574893198361823
Energy: 1.1078165542853566
Energy: 1.0574893198347726
Energy: 1.1078165542853566
Energy: 1.0574893198354773
Energy: 1.1078165542853566
Energy: 1.0907173697278238
Energy: 1.047320532810814
Energy: 1.0907173697285288
Energy: 1.047320532810814
Energy: 1.0907173697278238
Energy: 1.047320532810814
Energy: 1.06464269734647
Energy: 1.065843022399502
Energy: 1.06464269734788
Energy: 1.065843022398797
Energy: 1.064642697349995
Energy: 1.065843022398797
Energy: 1.0929830956343982
Energy: 1.0622885446482018
Energy: 1.0929830956329882
Energy: 1.0622885446474968
Energy: 1.0929830956329882
Energy: 1.0622885446474968
Energy: 1.0271803319379513
Energy: 1.0618996386957549
Energy: 1.0271803319337212
Energy: 1.0618996386957549
Energy: 1.0271803319358361
Energy: 1.0618996386957549
Energy: 1.0646393972485921
Energy: 1.0487612154648898
Energy: 1.0646393972478871
Energy: 1.0487612154648898
Energy: 1.0646393972471824
Energy: 1.0487612154655948
Energy: 1.054464290462314
Energy: 1.0800385027048112
Energy: 1.054464290462314
Energy: 1.080038502703401
Energy: 1.054464290462314
Energy: 1.080038502704106
Energy: 1.0884527595939995
Energy: 1.0949293319428695
Energy: 1.0884527595947044
Energy: 1.0949293319463944
Energy: 1.0884527595932945
Energy: 1.0949293319470992
Energy: 1.0396847214535807
Energy: 1.0489969549924376
Energy: 1.0396847214712057
Energy: 1.0489969549924376
Energy: 1.0396847214592209
Energy: 1.0489969549924376
Energy: 1.0551604059872681
Energy: 1.035200617384511
Energy: 1.0551604059872681
Energy: 1.035200617385921
Energy: 1.0551604059872681
Energy: 1.035200617384511
Energy: 1.0708035671697915
Energy: 1.044612363379713
Energy: 1.0708035671690868
Energy: 1.0446123633804179
Energy: 1.0708035671697915
Energy: 1.0446123633804179
Energy: 1.039330576066323
Energy: 1.0475805399199218
Energy: 1.039330576066323
Energy: 1.0475805399199218
Energy: 1.039330576066323
Energy: 1.0475805399199218
Energy: 1.255758559261795
Energy: 1.0786232589530298
Energy: 1.25575855925545
Energy: 1.078623258951652
Energy: 1.255758559263205
Energy: 1.0786232589530298
Energy: 1.0518994831998867
Energy: 1.0807323888836704
Energy: 1.0518994831949515
Energy: 1.0807323888836704
Energy: 1.0518994831907218
Energy: 1.0807323888829654
Energy: 1.0678418233428206
Energy: 1.048413795622872
Energy: 1.0678418233428206
Energy: 1.0484137956221669
Energy: 1.0678418233428206
Energy: 1.0484137956221669
Energy: 1.0696038754057742
Energy: 1.0614328891476588
Energy: 1.0696038754057742
Energy: 1.0614328891469536
Energy: 1.0696038754057742
Energy: 1.0614328891476588
Energy: 1.0475802698799062
Energy: 1.0703490194812952
Energy: 1.0475802698784962
Energy: 1.0703490194820007
Energy: 1.0475802698792012
Energy: 1.0703490194827054
Energy: 1.0721834043112402
Energy: 1.0659443089391905
Energy: 1.0721834043105354
Energy: 1.0659443089391905
Energy: 1.0721834043105354
Energy: 1.0659443089384855
Energy: 1.067012360048982
Energy: 1.0490041926724982
Energy: 1.067012360048277
Energy: 1.0490041926724982
Energy: 1.067012360048277
Energy: 1.0490041926717932
Energy: 1.0574893198361823
Energy: 1.1078165542839467
Energy: 1.0574893198368873
Energy: 1.1078165542839467
Energy: 1.0574893198361823
Energy: 1.1078165542846514
Energy: 1.0907173697292338
Energy: 1.047320532810814
Energy: 1.0907173697285288
Energy: 1.047320532810814
Energy: 1.0907173697292338
Energy: 1.047320532810814
Energy: 1.064642697349995
Energy: 1.065843022399502
Energy: 1.064642697349995
Energy: 1.065843022399502
Energy: 1.064642697349995
Energy: 1.065843022399502
Energy: 1.0929830956322832
Energy: 1.0622885446460868
Energy: 1.0929830956336934
Energy: 1.0622885446460868
Energy: 1.0929830956322832
Energy: 1.0622885446460868
Energy: 1.0271803319323114
Energy: 1.0618996386950499
Energy: 1.0271803319316064
Energy: 1.061899638694345
Energy: 1.0271803319316064
Energy: 1.0618996386950499
Energy: 1.0646393972478871
Energy: 1.0487612154662997
Energy: 1.0646393972478871
Energy: 1.0487612154670047
Energy: 1.0646393972478871
Energy: 1.0487612154662997

minimum gb energy = 1.0271803319316064 eV
minimum distance =  2.33101726903169 Angstroms
sigma value = 19


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

Energy: 0.9950327327404229
Energy: 1.0236386874006125
Energy: 0.9950327327385974
Energy: 1.023638687401221
Energy: 0.9950327327404229
Energy: 1.023638687401221
Energy: 1.0110607638875313
Energy: 1.0237042896497617
Energy: 1.01106076388814
Energy: 1.0237042896503705
Energy: 1.011060763886923
Energy: 1.0237042896485447
Energy: 1.0546773360192994
Energy: 1.0156458544722027
Energy: 1.0546773360192994
Energy: 1.015645854472811
Energy: 1.0546773360198802
Energy: 1.0156458544722027
Energy: 1.0155475435968282
Energy: 0.9877104592891259
Energy: 1.015547543597437
Energy: 0.9877104592885174
Energy: 1.0155475435980454
Energy: 0.9877104592891259
Energy: 1.021577774734395
Energy: 1.0157264831848023
Energy: 1.0215777747337864
Energy: 1.0157264831848023
Energy: 1.021577774734395
Energy: 1.0157264831848023
Energy: 0.9834979931604041
Energy: 1.0165182873230396
Energy: 0.9834979931597956
Energy: 1.0165182873236485
Energy: 0.9834979931591871
Energy: 1.0165182873230396
Energy: 1.0201353696608768
Energy: 1.0243851787564597
Energy: 1.0201353696608768
Energy: 1.0243851787564597
Energy: 1.0201353696614857
Energy: 1.0243851787558511
Energy: 1.0283736977255977
Energy: 1.037087861929247
Energy: 1.0283736977255977
Energy: 1.0370878619286388
Energy: 1.0283736977255977
Energy: 1.03708786192803
Energy: 1.0314018674009198
Energy: 1.0181406719109147
Energy: 0.44329293174356527
Energy: 1.0181406719109147
Energy: 0.46551330677359054
Energy: 1.0181406719109147
Energy: 1.0181537029063474
Energy: 1.0121008786938916
Energy: 1.0181537029075372
Energy: 1.0121008786938916
Energy: 1.0181537029075372
Energy: 1.0121008786926744
Energy: 1.015389513829963
Energy: 1.0772508642858742
Energy: 1.015389513829963
Energy: 1.0772508642858742
Energy: 1.01538951383118
Energy: 1.0772508642858742
Energy: 1.0247382400962242
Energy: 1.01993837019278
Energy: 1.0247382400962242
Energy: 1.0199383701921716
Energy: 1.0247382400956155
Energy: 1.0199383701921716
Energy: 0.9852182437108188
Energy: 1.0295897939820713
Energy: 0.9852182437102102
Energy: 1.0295897939814627
Energy: 0.9852182437102102
Energy: 1.0295897939814627
Energy: 1.0154033687107382
Energy: 0.9812407732626361
Energy: 1.0154033687119552
Energy: 0.9812407732620274
Energy: 1.0154033687113466
Energy: 0.9812407732620274
Energy: 1.0385884925792543
Energy: 1.0067959647549005
Energy: 1.0385884925786457
Energy: 1.006795964754292
Energy: 1.0385884925780373
Energy: 1.006795964754292
Energy: 1.0649360268355899
Energy: 1.0139348881419101
Energy: 1.0649360268355899
Energy: 1.0139348881425185
Energy: 1.0649360268355899
Energy: 1.0139348881425185
Energy: 1.01534033835932
Energy: 1.043222613085467
Energy: 1.0153403383599287
Energy: 1.043222613085467
Energy: 1.01534033835932
Energy: 1.043222613085467
Energy: 1.04350961216341
Energy: 1.0256790944751615
Energy: 1.04350961216341
Energy: 1.0256790944757703
Energy: 1.0435096121615843
Energy: 1.0256790944751615
Energy: 1.0192772845806948
Energy: 1.0165014408318973
Energy: 1.0192772845806948
Energy: 1.016501440832506
Energy: 1.0192772845813036
Energy: 1.0165014408337232
Energy: 1.0165011597690794
Energy: 1.002366049343339
Energy: 1.016501159769688
Energy: 1.0023660493439472
Energy: 1.016501159769688
Energy: 1.002366049343339
Energy: 1.0218957915584486
Energy: 1.0371091297730741
Energy: 1.0218957915578397
Energy: 1.0371091297718567
Energy: 1.0218957915578397
Energy: 1.0371091297730741
Energy: 1.0670496964141303
Energy: 1.0284187003222935
Energy: 1.0670496794169757
Energy: 1.0284187003216851
Energy: 1.067049636974958
Energy: 1.0284187003216851
Energy: 1.0229951179637027
Energy: 1.0153780344315209
Energy: 1.022995117964311
Energy: 1.0153780344315209
Energy: 1.0229951179637027
Energy: 1.015378034432738
Energy: 1.0234461890152142
Energy: 1.0708905090596192
Energy: 1.0234461890158226
Energy: 1.070890509060228
Energy: 1.0234461890164315
Energy: 1.0708905090596192
Energy: 0.9513329727540875
Energy: 1.0134457253998062
Energy: 0.951332972754696
Energy: 1.0134457253991973
Energy: 0.9513329727528704
Energy: 1.0134457253998062
Energy: 1.0068223461414318
Energy: 1.018637143376505
Energy: 1.0068223461414318
Energy: 1.0186371433734622
Energy: 1.0068223461414318
Energy: 1.0186371433789392
Energy: 1.0205471134503277
Energy: 1.0056453916640342
Energy: 1.0205471134503277
Energy: 1.0056453916652512
Energy: 1.020547113450936
Energy: 1.0056453916628172
Energy: 0.9793901482945685
Energy: 1.027811388032653
Energy: 0.979390148292743
Energy: 1.0278113880332616
Energy: 0.9793901482939599
Energy: 1.0278113880332616
Energy: 1.036305631079741
Energy: 1.0163772390761308
Energy: 1.0363056310791325
Energy: 1.0163772390761308
Energy: 1.0363056310791325
Energy: 1.0163772390755224

minimum gb energy = 0.44329293174356527 eV
minimum distance =  2.31419921355079 Angstroms
sigma value = 101


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

Energy: 1.09161848104493
Energy: 0.940176915949002
Energy: 1.091618481035836
Energy: 0.9401769159495371
Energy: 1.0916184810353011
Energy: 0.940176915949002
Energy: 0.9930727681676613
Energy: 0.9985333581147315
Energy: 0.9930727681687311
Energy: 0.9985333581158014
Energy: 0.9930727681714058
Energy: 0.9985333581147315
Energy: 0.9852844582338375
Energy: 1.0027216930316118
Energy: 0.9852844582343724
Energy: 1.002721693030542
Energy: 0.9852844582343724
Energy: 1.002721693031077
Energy: 0.99340038508042
Energy: 0.9928183745100776
Energy: 0.993400385079885
Energy: 0.9928183745090075
Energy: 0.993400385079885
Energy: 0.9928183745090075
Energy: 0.9958958165510913
Energy: 0.9702592657386439
Energy: 0.9958958165516263
Energy: 0.9702592657386439
Energy: 0.9958958165505565
Energy: 0.9702592657381088
Energy: 0.9278308818151546
Energy: 1.0010263767720722
Energy: 0.9278308818146196
Energy: 1.0010263767699326
Energy: 0.9278308818140848
Energy: 1.0010263767704675
Energy: 0.996587918559588
Energy: 1.0018957991937991
Energy: 0.996587918559588
Energy: 1.0018957991932642
Energy: 0.9965879185601229
Energy: 1.0018957991927293
Energy: 0.9993409860023943
Energy: 1.0055676983890378
Energy: 0.9993409860039991
Energy: 1.0055676983879678
Energy: 0.9993409860029291
Energy: 1.0055676983874329
Energy: 0.9289015389603208
Energy: 0.9993420380905575
Energy: 0.9289015389603208
Energy: 0.9993420380905575
Energy: 0.9289015389603208
Energy: 0.9993420380900228
Energy: 0.9954932206711626
Energy: 0.9941838736639247
Energy: 0.995493220670628
Energy: 0.9941838736644595
Energy: 0.9954932206631387
Energy: 0.9941838736633897
Energy: 0.9985483325926509
Energy: 1.1705387183060985
Energy: 0.9985483325931858
Energy: 1.1705387183066336
Energy: 0.9985483325942556
Energy: 1.1705387183060985
Energy: 0.9879737431170421
Energy: 0.9984169819638219
Energy: 0.9879737431170421
Energy: 0.9984169819632869
Energy: 0.987973743117577
Energy: 0.9984169819638219
Energy: 0.9184747591232472
Energy: 1.000292135576673
Energy: 0.9184747591232472
Energy: 1.000292135577208
Energy: 0.9184747591227123
Energy: 1.0002921355761378
Energy: 0.9988365115825258
Energy: 1.0114134354596933
Energy: 0.998836511580921
Energy: 1.0114134354602282
Energy: 0.9988365115798512
Energy: 1.0114134354602282
Energy: 0.9917655768805729
Energy: 0.9679925087837995
Energy: 0.9917655768800379
Energy: 0.9679925087843343
Energy: 0.9917655768795031
Energy: 0.9679925087837995
Energy: 0.9857341084843393
Energy: 1.0145737812742535
Energy: 0.9857341084864789
Energy: 1.0145737812737186
Energy: 0.9857341084864789
Energy: 1.0145737812737186
Energy: 0.9931238270706646
Energy: 1.0103774659990312
Energy: 0.9931238270695947
Energy: 1.010377465998496
Energy: 0.9931238270701295
Energy: 1.010377465998496
Energy: 0.9985069418481322
Energy: 0.9170426639012501
Energy: 0.9985069418486671
Energy: 0.9170426639012501
Energy: 0.9985069418475971
Energy: 0.91704266390232
Energy: 0.930430962470059
Energy: 0.9998733894961968
Energy: 0.930430962468989
Energy: 0.9998733894956617
Energy: 0.9304309624705939
Energy: 0.9998733894961968
Energy: 1.0027444315197904
Energy: 1.0063784036941543
Energy: 1.002744431520325
Energy: 1.0063784036936192
Energy: 1.0027444315171155
Energy: 1.0063784036957593
Energy: 1.0078007794398334
Energy: 1.102364852857037
Energy: 1.0078007794398334
Energy: 1.1023648528559669
Energy: 1.0078007794392985
Energy: 1.102364852857037
Energy: 0.965119732660396
Energy: 0.9976972037246832
Energy: 0.9651197326609309
Energy: 0.9976972037252182
Energy: 0.9651197326609309
Energy: 0.9976972037257532
Energy: 0.9922177672350683
Energy: 1.0004944065465342
Energy: 0.9922177672356032
Energy: 1.000494406545999
Energy: 0.9922177672350683
Energy: 1.0004944065465342
Energy: 0.993639814080834
Energy: 1.1498400163270333
Energy: 0.993639814080299
Energy: 1.1498400163254283
Energy: 0.993639814080834
Energy: 1.1498400163270333
Energy: 1.0040680261069568
Energy: 1.0083509018755312
Energy: 1.0040680261058865
Energy: 1.0083509018739263
Energy: 1.0040680261064217
Energy: 1.0083509018766013
Energy: 0.9196601831193784
Energy: 1.0138802253853023
Energy: 0.9196601831193784
Energy: 1.0138802253853023
Energy: 0.9196601831188433
Energy: 1.0138802253847672
Energy: 0.995948385002938
Energy: 1.0058231688521753
Energy: 0.995948385003473
Energy: 1.0058231688521753
Energy: 0.995948385002403
Energy: 1.0058231688516404
Energy: 0.9969530264819574
Energy: 0.9651620021521292
Energy: 0.9969530264819574
Energy: 0.965162002153199
Energy: 0.9969530264830272
Energy: 0.9651620021526641
Energy: 1.133514741761959
Energy: 0.9991325009752614
Energy: 1.133514741761959
Energy: 0.9991325009752614
Energy: 1.1335147417614237
Energy: 0.9991325009752614
Energy: 0.9981161256277147
Energy: 1.0185885066573126
Energy: 0.9981161256266449
Energy: 1.0185885066557077
Energy: 0.9981161256282498
Energy: 1.0185885066573126
Energy: 0.9940123187096586
Energy: 0.95034820053688
Energy: 0.9940123187112635
Energy: 0.9503482005363453
Energy: 0.9940123187096586
Energy: 0.9503482005363453
Energy: 0.9898254405843022
Energy: 0.9974681031875788
Energy: 0.9898254405875119
Energy: 0.9974681031875788
Energy: 0.9898254405912564
Energy: 0.9974681031886486
Energy: 0.9937748276305427
Energy: 0.998910305552204
Energy: 0.9937748276300078
Energy: 0.998910305552204
Energy: 0.9937748276310776
Energy: 0.9989103055527391

minimum gb energy = 0.9170426639012501 eV
minimum distance =  2.323136901495 Angstroms
sigma value = 33


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

Energy: 0.01859440335279737
Energy: 0.7435382278918814
Energy: 0.01859440335279737
Energy: 0.7435382278918814
Energy: 0.01859440335279737
Energy: 0.7435382278914368
Energy: 0.01906152348578342
Energy: -0.5127363171408692
Energy: 0.01906152348533895
Energy: -0.5127363171408692
Energy: 0.01906152348533895
Energy: -0.5127363171408692
Energy: 0.7441306602258569
Energy: -0.5105800778570208
Energy: 0.7440278672111417
Energy: -0.5105800778565763
Energy: 0.7440298440673978
Energy: -0.5105800778570208
Energy: 0.01906152348578342
Energy: -0.5127363171399804
Energy: 0.01906152348578342
Energy: -0.5127363171404248
Energy: 0.01906152348578342
Energy: -0.5127363171408692

minimum gb energy = -0.5127363171408692 eV
minimum distance =  2.46747347345097 Angstroms
sigma value = 1