Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150153368711472
cohesive_energy=6.8105384573284145
mass=95.95
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: -9.5367431640625e-07 eV

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

Energy: 0.017344800012014445
Energy: 0.01764227249363813
Energy: 1.3879356418640234
Energy: 0.017642269424380613
Energy: 0.017344800012014445
Energy: 0.01764226919714377
Energy: 0.017642271989467866
Energy: 5.699788336199044
Energy: 0.01764226975495698
Energy: 5.6997883361986315
Energy: 0.017642271595933304
Energy: 4.281626694475793
Energy: 1.3879356418636104
Energy: 0.0176422691022935
Energy: 0.017344800012014445
Energy: 0.017642276574356564
Energy: 1.3879356418640234
Energy: 0.017642269274648417
Energy: 0.017642270464934443
Energy: 5.699788336199044
Energy: 0.017642273170530423
Energy: 5.192312902869288
Energy: 0.017642270737416744
Energy: 5.699788336199457
Energy: 0.017344800012014445
Energy: 0.01764227171258033
Energy: 1.3879356418640234
Energy: 0.017642270973555835
Energy: 0.017344800012014445
Energy: 0.017642269203981067
Energy: 0.01764226910550565
Energy: 4.281626694476573
Energy: 0.017642269158781494
Energy: 5.6997883361986315
Energy: 0.017642269108763688
Energy: 4.281626694476573

minimum gb energy = 0.017344800012014445 eV
minimum distance =  2.63284378774986 Angstroms
sigma value = 1


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

Energy: 2.0194109522787347
Energy: 2.2769561721460168
Energy: 2.081096197490488
Energy: 2.276956172145023
Energy: 2.019410952279729
Energy: 2.2769561721460168
Energy: 2.1914138607095577
Energy: 2.224927702163297
Energy: 2.0094053937063614
Energy: 2.224927702163297
Energy: 2.1914138607085634
Energy: 2.2249277021623026
Energy: 1.8628623888683757
Energy: 2.226089021911172
Energy: 2.00986350939857
Energy: 2.226089021910178
Energy: 1.8628623888683757
Energy: 2.226089021911172
Energy: 2.0948725878955723
Energy: 2.1847498984409146
Energy: 1.838007073794553
Energy: 2.184749898442903
Energy: 2.094872587894579
Energy: 2.1847498984419085
Energy: 2.0948778230367435
Energy: 2.2787272182248057
Energy: 2.029273505776489
Energy: 2.2787272182258
Energy: 2.0948778230357497
Energy: 2.2787272182258
Energy: 2.0108652485672094
Energy: 2.229169342515661
Energy: 1.8714834290403222
Energy: 2.229169342513673
Energy: 2.0108652485672094
Energy: 2.229169342513673
Energy: 2.009726124139759
Energy: 2.224057124902943
Energy: 1.8637973969897543
Energy: 2.224057124903937
Energy: 2.009726124139759
Energy: 2.224057124903937
Energy: 2.1289485277524416
Energy: 2.277696766962839
Energy: 1.8388830712488473
Energy: 2.2776967669638335
Energy: 2.1289485277514473
Energy: 2.277696766962839
Energy: 2.2213436333889116
Energy: 2.177344935479079
Energy: 1.838211912164085
Energy: 2.177344935480073
Energy: 2.2213436333889116
Energy: 2.177344935480073
Energy: 2.0121574400124986
Energy: 2.227734223114881
Energy: 1.8723007193813903
Energy: 2.227734223114881
Energy: 2.0121574400124986
Energy: 2.227734223114881
Energy: 2.128190035670715
Energy: 2.2429291583253415
Energy: 2.0107410544317985
Energy: 2.2429291583253415
Energy: 2.128190035670715
Energy: 2.2429291583253415
Energy: 1.8408104233145033
Energy: 2.2895496342633863
Energy: 1.8406890329814511
Energy: 2.28954963426438
Energy: 1.8408104233135094
Energy: 2.28954963426438
Energy: 2.0101391211894146
Energy: 2.2429291583253415
Energy: 2.01888949922495
Energy: 2.2429291583233537
Energy: 2.0101391211894146
Energy: 2.2429291583233537
Energy: 1.8723836127177163
Energy: 2.2276945403743578
Energy: 2.0121416970061436
Energy: 2.2276945403723696
Energy: 1.8723836127187106
Energy: 2.227694540373364
Energy: 1.8380331777507928
Energy: 2.1773488845298465
Energy: 2.221252088853016
Energy: 2.1773488845298465
Energy: 1.8380331777507928
Energy: 2.1773488845298465
Energy: 1.8386394964526762
Energy: 2.277848513262546
Energy: 2.1290308744531865
Energy: 2.277848513262546
Energy: 1.8386394964477055
Energy: 2.277848513262546
Energy: 1.8637187591328703
Energy: 2.22430327768897
Energy: 2.009731312737001
Energy: 2.224303277689964
Energy: 1.8637187591328703
Energy: 2.22430327768897
Energy: 1.8713596632569331
Energy: 2.228808459465913
Energy: 2.010752994607252
Energy: 2.2288084594649193
Energy: 1.8713596632569331
Energy: 2.2288084594649193
Energy: 2.0948509956218406
Energy: 2.278769555279651
Energy: 2.094870197790462
Energy: 2.278769555279651
Energy: 2.0948509956218406
Energy: 2.278769555280645
Energy: 1.837963966427085
Energy: 2.184857287952492
Energy: 2.0948142893124757
Energy: 2.1848572879514983
Energy: 1.837963966427085
Energy: 2.1848572879514983
Energy: 2.0099024300631156
Energy: 2.226087086871127
Energy: 1.8628507675464683
Energy: 2.226087086870133
Energy: 2.0099024300631156
Energy: 2.226087086870133
Energy: 2.009559852665292
Energy: 2.22492782040212
Energy: 2.191373019252287
Energy: 2.22492782040212
Energy: 2.0095598526662863
Energy: 2.22492782040212
Energy: 2.0933984174116462
Energy: 2.276956172144029
Energy: 2.0194109522787347
Energy: 2.276956172145023
Energy: 2.0933984174116462
Energy: 2.276956172145023

minimum gb energy = 1.837963966427085 eV
minimum distance =  2.45471508680674 Angstroms
sigma value = 33


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

Energy: 2.7245337918445425
Energy: 2.3843392721102465
Energy: 2.0171025645411134
Energy: 2.384339272109116
Energy: 2.7245337918451082
Energy: 2.3843392721096817
Energy: 2.113310819060614
Energy: 2.3266089176928735
Energy: 2.2317901419994834
Energy: 2.326608917691177
Energy: 2.113310819060614
Energy: 2.3266089176906117
Energy: 1.927912646043792
Energy: 2.402792520944194
Energy: 2.261635114367067
Energy: 2.4027925209453254
Energy: 1.927912646043792
Energy: 2.4027925209453254
Energy: 2.089701183589803
Energy: 2.3291261303865087
Energy: 2.1348114194225345
Energy: 2.329126130387074
Energy: 2.089701183589803
Energy: 2.3291261303865087
Energy: 2.066793561076537
Energy: 2.3491886754749056
Energy: 2.3032981268778645
Energy: 2.3491886754675546
Energy: 2.066793561075406
Energy: 2.3491886754675546
Energy: 2.2219205749619517
Energy: 2.3574317691353546
Energy: 1.9572686716180996
Energy: 2.3574317691381816
Energy: 2.221920574961387
Energy: 2.3574317691381816
Energy: 2.181459100133537
Energy: 2.333234546834992
Energy: 2.2089342694663623
Energy: 2.333234546837254
Energy: 2.181459100134102
Energy: 2.333234546837254
Energy: 1.9871270249432569
Energy: 2.3573704110396534
Energy: 2.6264752216166105
Energy: 2.3573704110413503
Energy: 1.9871270249438224
Energy: 2.3573704110413503
Energy: 1.9977914229178417
Energy: 2.2362225246486314
Energy: 2.17950379011298
Energy: 2.2362225246469345
Energy: 1.9977914229189728
Energy: 2.2362225246469345
Energy: 2.0182551838780936
Energy: 2.4176497509182484
Energy: 2.0359667425069703
Energy: 2.4176497509154213
Energy: 2.0182551838775282
Energy: 2.4176497509154213
Energy: 1.9896882596532497
Energy: 2.4763053096321523
Energy: 2.3347381567172083
Energy: 2.476305309636676
Energy: 1.9896882596532497
Energy: 2.476305309636676
Energy: 2.2614922454448747
Energy: 2.3766144586213347
Energy: 2.0875653842028976
Energy: 2.3766144586235964
Energy: 2.2614922454460054
Energy: 2.3766144586241618
Energy: 2.2572485273062717
Energy: 2.2723020588557943
Energy: 1.9936239215546607
Energy: 2.2723020588557943
Energy: 2.2572485273062717
Energy: 2.2723020588557943
Energy: 2.092573580601641
Energy: 2.414017753978009
Energy: 2.5990137626861927
Energy: 2.4140177539802714
Energy: 2.092573580601075
Energy: 2.4140177539797056
Energy: 2.1063870440437125
Energy: 2.383405540388651
Energy: 2.167722456167549
Energy: 2.383405540388086
Energy: 2.1063870440425814
Energy: 2.383405540388086
Energy: 2.1065505042372568
Energy: 2.3579700805943897
Energy: 2.087383579617831
Energy: 2.357970080591562
Energy: 2.1065505042372568
Energy: 2.357970080590997
Energy: 2.1351221874270907
Energy: 2.344866501585915
Energy: 2.035586292471194
Energy: 2.3448665015842187
Energy: 2.135122187426526
Energy: 2.3448665015842187
Energy: 2.1349259409178503
Energy: 2.3386256917350963
Energy: 2.254426757687855
Energy: 2.3386256917350963
Energy: 2.134925940918416
Energy: 2.3386256917350963
Energy: 1.957154124912521
Energy: 2.358288069273038
Energy: 2.354023662142915
Energy: 2.3582880692685144
Energy: 1.957154124912521
Energy: 2.3582880692685144
Energy: 1.9723294116310368
Energy: 2.2554824395164537
Energy: 2.3191726913232356
Energy: 2.255482439519281
Energy: 1.9723294116316021
Energy: 2.255482439519281
Energy: 2.253570121317702
Energy: 2.4795904352791087
Energy: 2.031299094915883
Energy: 2.4795904352825016
Energy: 2.2535701213182673
Energy: 2.4795904352825016
Energy: 2.0373829174388236
Energy: 2.342090618861687
Energy: 2.268330713788728
Energy: 2.342090618862252
Energy: 2.037382917437692
Energy: 2.342090618861687
Energy: 2.0351754764478662
Energy: 2.3484201196630923
Energy: 2.1358351528537165
Energy: 2.348420119658569
Energy: 2.0351754764478662
Energy: 2.348420119658569
Energy: 2.2614991084831657
Energy: 2.324298616035816
Energy: 2.102763089348167
Energy: 2.324298616036382
Energy: 2.2614991084837306
Energy: 2.324298616036382
Energy: 2.1180137208159193
Energy: 2.3553218037550807
Energy: 2.2616882936573215
Energy: 2.355321803756777
Energy: 2.1180137208153536
Energy: 2.355321803756777
Energy: 2.4576466749009813
Energy: 2.407900789566031
Energy: 1.9848144098293925
Energy: 2.4079007895676763
Energy: 2.4576466749009813
Energy: 2.407900789566597
Energy: 2.2025295114150367
Energy: 2.36327339470943
Energy: 1.9848144098344815
Energy: 2.3632733947037754
Energy: 2.2025295114150367
Energy: 2.3632733947043407
Energy: 2.1409304235227316
Energy: 2.3576187494858876
Energy: 2.261667683494169
Energy: 2.3576187494921075
Energy: 2.1409304235227316
Energy: 2.3576187494921075
Energy: 2.327883008551196
Energy: 2.324057053960388
Energy: 2.0520888570435964
Energy: 2.324057053959823
Energy: 2.327883008551762
Energy: 2.324057053959823
Energy: 2.035264933084259
Energy: 2.3480739156291457
Energy: 2.111470487091488
Energy: 2.348073915630842
Energy: 2.035264933083128
Energy: 2.348073915630842
Energy: 1.9920001000815757
Energy: 2.3420906188565978
Energy: 2.2614256725991897
Energy: 2.342090618861687
Energy: 1.9920001000810101
Energy: 2.342090618862252
Energy: 2.2535525984253284
Energy: 2.479752800145543
Energy: 1.958179527034903
Energy: 2.479752800146674
Energy: 2.253552598425894
Energy: 2.479752800146109
Energy: 1.9722955318844992
Energy: 2.2500773296693826
Energy: 2.2212782716174915
Energy: 2.2500773296710785
Energy: 1.972295531883934
Energy: 2.2500773296710785
Energy: 1.9571854803996136
Energy: 2.3346068104533284
Energy: 2.4287607586299806
Energy: 2.33460681045559
Energy: 1.9571854803990485
Energy: 2.33460681045559
Energy: 2.134899391745922
Energy: 2.341647301212904
Energy: 2.341227030553868
Energy: 2.3416473012134698
Energy: 2.134899391747052
Energy: 2.3416473012134698
Energy: 2.1352168000616243
Energy: 2.3441671700604214
Energy: 2.0354086760642542
Energy: 2.344167170063249
Energy: 2.135216800061059
Energy: 2.344167170063249
Energy: 2.1057818520293066
Energy: 2.3574529178851957
Energy: 1.9845564590331402
Energy: 2.3574529178846304
Energy: 2.1057818520287412
Energy: 2.3574529178846304
Energy: 2.1065656723920054
Energy: 2.3975919121998968
Energy: 2.2760913356625734
Energy: 2.397591912201028
Energy: 2.1065656723920054
Energy: 2.397591912201593
Energy: 2.0968097955868794
Energy: 2.4145678248759874
Energy: 2.5990550991222925
Energy: 2.4145678248759874
Energy: 2.0968097955868794
Energy: 2.4145678248759874
Energy: 2.3280870094311896
Energy: 2.27275570161153
Energy: 1.9901262066244643
Energy: 2.2727557016098334
Energy: 2.3280870094306243
Energy: 2.2727557016103987
Energy: 2.261605494215184
Energy: 2.3747171672675536
Energy: 1.9844386294809433
Energy: 2.3747171672675536
Energy: 2.2616054942163153
Energy: 2.3747171672675536

minimum gb energy = 1.927912646043792 eV
minimum distance =  2.44696730276513 Angstroms
sigma value = 51


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

Energy: 2.229066611264889
Energy: 2.229048961475966
Energy: 2.3388231939187967
Energy: 2.229048961475966
Energy: 2.229066611264889
Energy: 2.229048961475966
Energy: 1.9302151739396047
Energy: 2.47233685104584
Energy: 2.5266795859693847
Energy: 2.4723368509869434
Energy: 1.9302151739422253
Energy: 2.472336851036669
Energy: 1.9289973253950272
Energy: 2.248979864220159
Energy: 2.4164948213225594
Energy: 2.248979864221469
Energy: 1.9289973253950272
Energy: 2.248979864221469
Energy: 1.9492953935531052
Energy: 2.3454052899122386
Energy: 2.4165066579729637
Energy: 2.3454052899109286
Energy: 1.9492953935531052
Energy: 2.345405289909618
Energy: 1.9479498970615239
Energy: 2.3450604916222155
Energy: 2.416642424533521
Energy: 2.3450604916235256
Energy: 1.9479498970615239
Energy: 2.3450604916222155
Energy: 2.2293025212952657
Energy: 2.3449401825898395
Energy: 2.4909678279634915
Energy: 2.3449401825911496
Energy: 2.2293025212952657
Energy: 2.3449401825911496
Energy: 2.2291187779639756
Energy: 2.3449226196956094
Energy: 2.659330573782185
Energy: 2.3449226196956094
Energy: 2.2291187779639756
Energy: 2.3449226196956094
Energy: 1.9507435072603936
Energy: 2.344990327818681
Energy: 1.8944810836633983
Energy: 2.344990327818681
Energy: 1.9507435072603936
Energy: 2.3449903278199913
Energy: 2.513320039259789
Energy: 2.4542330199689597
Energy: 1.9385385931423822
Energy: 2.4542330199676496
Energy: 2.513320039261099
Energy: 2.4542330199676496
Energy: 1.9286201246767816
Energy: 2.24927933544861
Energy: 1.894568732776172
Energy: 2.2492793354472997
Energy: 1.9286201246767816
Energy: 2.2492793354472997
Energy: 2.472591052826473
Energy: 2.3453100106093743
Energy: 2.6597113955066005
Energy: 2.3453100106093743
Energy: 2.472591052826473
Energy: 2.345310010608064
Energy: 2.229267983439952
Energy: 2.2294131955973437
Energy: 2.4908976770499263
Energy: 2.2294131955947236
Energy: 2.2292679834386417
Energy: 2.2294131955947236
Energy: 2.0973643087268856
Energy: 2.3637034736274236
Energy: 2.416758208707821
Energy: 2.3637034736274236
Energy: 2.0973643087255756
Energy: 2.3637034736274236
Energy: 1.9287028279190237
Energy: 2.3282892402259305
Energy: 2.4164040111415153
Energy: 2.328289240227241
Energy: 1.9287028279190237
Energy: 2.328289240227241
Energy: 1.9286853409060614
Energy: 2.327799578118127
Energy: 2.416715243497874
Energy: 2.327799578116817
Energy: 1.9286853409047513
Energy: 2.327799578116817
Energy: 1.9303176301446507
Energy: 2.3656427239924174
Energy: 2.4164257036037777
Energy: 2.3656427239937274
Energy: 1.9303176301446507
Energy: 2.3656427239950375
Energy: 2.2288826811782547
Energy: 2.2294589611251956
Energy: 2.48831958744793
Energy: 2.2294589611265057
Energy: 2.2288826811782547
Energy: 2.2294589611265057
Energy: 2.229148134727829
Energy: 2.3449249888952064
Energy: 2.660633000201992
Energy: 2.344924988892586
Energy: 2.229148139185563
Energy: 2.344924988892586

minimum gb energy = 1.8944810836633983 eV
minimum distance =  2.42989153314999 Angstroms
sigma value = 19


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

Energy: 2.447290050267882
Energy: 2.5271093286861395
Energy: 2.4207596382809835
Energy: 2.5271093286861395
Energy: 2.44729005026714
Energy: 2.5271093286861395
Energy: 2.096893096572346
Energy: 2.5659872956426906
Energy: 2.2947679022505754
Energy: 2.5659872956434677
Energy: 2.0968930965739
Energy: 2.5659872956434677
Energy: 1.9687529688882437
Energy: 2.522244343549414
Energy: 2.1653330412983856
Energy: 2.522244343549414
Energy: 1.9687529688882437
Energy: 2.522244343549414
Energy: 2.159209728820523
Energy: 2.481247044862504
Energy: 2.4768590136023816
Energy: 2.4812470448632817
Energy: 2.1592097288197465
Energy: 2.4812470448632817
Energy: 2.0376400170789695
Energy: 2.5252566707767166
Energy: 2.410110772079422
Energy: 2.525256670775939
Energy: 2.0376400170789695
Energy: 2.525256670775939
Energy: 2.5094786412088856
Energy: 2.5253367095969756
Energy: 2.037640857661316
Energy: 2.5253367095969756
Energy: 2.5094786412088856
Energy: 2.5253367095969756
Energy: 2.476780196604267
Energy: 2.48119157164966
Energy: 2.037109669225227
Energy: 2.48119157164966
Energy: 2.476780196604267
Energy: 2.481191571650437
Energy: 2.165473243989969
Energy: 2.522161689080967
Energy: 1.9688765282793192
Energy: 2.522161689080967
Energy: 2.165473243989969
Energy: 2.522161689080967
Energy: 2.2947415972189438
Energy: 2.5660976645008593
Energy: 2.217036295167448
Energy: 2.566097664501636
Energy: 2.2947415972189438
Energy: 2.566097664501636
Energy: 2.4207596382802063
Energy: 2.5271093286861395
Energy: 2.447290050267882
Energy: 2.5271093286861395
Energy: 2.4207596382809835
Energy: 2.5271093286861395
Energy: 2.2947679022490215
Energy: 2.5659872956426906
Energy: 2.0968930965739
Energy: 2.565987295641914
Energy: 2.2947679022490215
Energy: 2.5659872956426906
Energy: 2.1653330412983856
Energy: 2.522244343550968
Energy: 1.9687529688866894
Energy: 2.522244343550191
Energy: 2.1653330412983856
Energy: 2.522244343550191
Energy: 2.4768590136023816
Energy: 2.481247044862504
Energy: 2.2704592974112545
Energy: 2.481247044862504
Energy: 2.4768590136023816
Energy: 2.481247044862504
Energy: 2.299539488306408
Energy: 2.5252566707767166
Energy: 2.0376400170789695
Energy: 2.5252566707767166
Energy: 2.299539488306408
Energy: 2.5252566707767166
Energy: 2.037640857661316
Energy: 2.525336709595422
Energy: 2.5094786412088856
Energy: 2.5253367095961985
Energy: 2.037640857661316
Energy: 2.5253367095961985
Energy: 2.037109669226004
Energy: 2.48119157164966
Energy: 2.47678019660349
Energy: 2.481191571648883
Energy: 2.037109669226004
Energy: 2.481191571648883
Energy: 1.968876528278542
Energy: 2.5221616890817447
Energy: 2.1654732439876376
Energy: 2.5221616890825214
Energy: 1.968876528278542
Energy: 2.5221616890825214
Energy: 2.2170362951658937
Energy: 2.5660976645024127
Energy: 2.2947415972189438
Energy: 2.566097664501636
Energy: 2.2170362951658937
Energy: 2.566097664501636
Energy: 2.44729005026714
Energy: 2.5271093286861395
Energy: 2.2163681300563796
Energy: 2.5271093286861395
Energy: 2.44729005026714
Energy: 2.5271093286861395
Energy: 2.0968930965731234
Energy: 2.5659872956434677
Energy: 2.2947679022505754
Energy: 2.5659872956434677
Energy: 2.0968930965731234
Energy: 2.5659872956426906
Energy: 1.9687529688882437
Energy: 2.522244343549414
Energy: 2.1653330412983856
Energy: 2.522244343549414
Energy: 1.9687529688882437
Energy: 2.522244343549414
Energy: 2.2704592974112545
Energy: 2.4812470448632817
Energy: 2.4768590136023816
Energy: 2.4812470448632817
Energy: 2.2704592974112545
Energy: 2.4812470448632817
Energy: 2.037640017078192
Energy: 2.525256670775939
Energy: 2.299539488307185
Energy: 2.5252566707767166
Energy: 2.037640017078192
Energy: 2.5252566707767166
Energy: 2.509478641208109
Energy: 2.5253367095969756
Energy: 2.037640857661316
Energy: 2.5253367095969756
Energy: 2.5094786412088856
Energy: 2.5253367095969756
Energy: 2.476780196604267
Energy: 2.48119157164966
Energy: 2.037109669225227
Energy: 2.481191571648883
Energy: 2.476780196604267
Energy: 2.481191571648883
Energy: 2.165473243989969
Energy: 2.522161689080967
Energy: 1.9688765282800962
Energy: 2.522161689080967
Energy: 2.165473243989969
Energy: 2.522161689080967
Energy: 2.2947415972189438
Energy: 2.566097664501636
Energy: 2.217036295167448
Energy: 2.5660976645008593
Energy: 2.294741597219721
Energy: 2.5660976645008593
Energy: 2.2412070335347627
Energy: 2.5271093286861395
Energy: 2.447290050267882
Energy: 2.5271093286861395
Energy: 2.2412070335347627
Energy: 2.5271093286861395
Energy: 2.294767902248244
Energy: 2.5659872956426906
Energy: 2.0968930965731234
Energy: 2.565987295641914
Energy: 2.294767902248244
Energy: 2.5659872956426906
Energy: 2.1653330412983856
Energy: 2.522244343550191
Energy: 1.9687529688866894
Energy: 2.522244343550968
Energy: 2.165333041297608
Energy: 2.522244343550968

minimum gb energy = 1.9687529688866894 eV
minimum distance =  2.40589843467967 Angstroms
sigma value = 27


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

Energy: 1.7983207431928507
Energy: 2.372909770203706
Energy: 2.655506920138609
Energy: 2.372909770203706
Energy: 1.7983207431928507
Energy: 2.372909770203706
Energy: 1.7958751352355249
Energy: 2.153760907895817
Energy: 1.9224399771085463
Energy: 2.1537609078977207
Energy: 1.7958751352355249
Energy: 2.1537609078977207
Energy: 1.8825988805755036
Energy: 2.7393544181225122
Energy: 1.8827482933103101
Energy: 2.7393544181225122
Energy: 1.8825988805774072
Energy: 2.7393544181225122
Energy: 1.7978299937869897
Energy: 2.493811595463067
Energy: 1.8817173639365161
Energy: 2.4938115954649698
Energy: 1.7978299937869897
Energy: 2.4938115954649698
Energy: 1.9240108760270713
Energy: 2.373488594761037
Energy: 1.8822354874887632
Energy: 2.373488594761037
Energy: 1.9240108760270713
Energy: 2.373488594761037
Energy: 1.8816295994127448
Energy: 2.2546980272934727
Energy: 1.9224954514105859
Energy: 2.254698027291569
Energy: 1.8816295994127448
Energy: 2.254698027291569
Energy: 1.9224296360102275
Energy: 2.2899169455135597
Energy: 1.8818032821347492
Energy: 2.289916945515463
Energy: 1.9224296360102275
Energy: 2.2899169455135597
Energy: 1.7979995825165693
Energy: 2.389272450230305
Energy: 1.9211300094652461
Energy: 2.389272450230305
Energy: 1.7979995825184731
Energy: 2.389272450232209
Energy: 1.881726087210505
Energy: 2.5000872708445216
Energy: 2.1126516668450153
Energy: 2.5000872708445216
Energy: 1.881726087210505
Energy: 2.5000872708445216
Energy: 1.8814795862062506
Energy: 2.8297856609241054
Energy: 1.8814952851755946
Energy: 2.8297856609241054
Energy: 1.8814795862062506
Energy: 2.8297856609241054
Energy: 1.9224474167152434
Energy: 2.5000836294059425
Energy: 1.8816233479381435
Energy: 2.500083629404039
Energy: 1.9224474167133396
Energy: 2.5000836294059425
Energy: 1.9210605797138578
Energy: 2.3891354796899145
Energy: 1.798062006967722
Energy: 2.3891354796918174
Energy: 1.9210605797138578
Energy: 2.3891354796918174

minimum gb energy = 1.7958751352355249 eV
minimum distance =  2.42732749479093 Angstroms
sigma value = 9


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

Energy: 2.4953224951961928
Energy: 2.7160396027647424
Energy: 2.3951092672265766
Energy: 2.7160396027647424
Energy: 2.4953224951961928
Energy: 2.7160396027647424
Energy: 2.2431957749995806
Energy: 2.6095856612851556
Energy: 2.052924012326437
Energy: 2.6095856612862254
Energy: 2.2431957749985107
Energy: 2.6095856612862254
Energy: 2.0239572186194676
Energy: 2.7250600427495977
Energy: 2.0511495947025664
Energy: 2.725060042750132
Energy: 2.0239572186200028
Energy: 2.725060042750132
Energy: 1.9822334037927853
Energy: 2.6857733256998317
Energy: 1.9085799275586108
Energy: 2.6857733257014362
Energy: 1.982233403793855
Energy: 2.685773325700366
Energy: 1.9784367558377305
Energy: 2.63807336262766
Energy: 1.9087585905919418
Energy: 2.63807336262766
Energy: 1.9784367558382656
Energy: 2.63807336262766
Energy: 1.9326331613854897
Energy: 2.44333894046661
Energy: 2.0259192073706513
Energy: 2.4433389404687493
Energy: 1.9326331613849543
Energy: 2.44333894046768
Energy: 2.3762783337809057
Energy: 2.5928829059073593
Energy: 2.2164855013832305
Energy: 2.592882905909498
Energy: 2.3762783337809057
Energy: 2.5928829059105682
Energy: 2.245183049670039
Energy: 2.603752742617941
Energy: 2.106454853315515
Energy: 2.603752742618476
Energy: 2.2451830496711085
Energy: 2.603752742618476
Energy: 2.250718157078684
Energy: 2.4733864324889705
Energy: 2.051554652937322
Energy: 2.4733864324884363
Energy: 2.250718157078684
Energy: 2.4733864324889705
Energy: 2.2360572931752167
Energy: 2.608032178191114
Energy: 1.9780772927309493
Energy: 2.6080321781895095
Energy: 2.2360572931746816
Energy: 2.608032178190044
Energy: 2.3210988345552095
Energy: 2.6241139893000156
Energy: 2.052693384965467
Energy: 2.6241139893005503
Energy: 2.321098834554675
Energy: 2.6241139893010854
Energy: 2.053498835306738
Energy: 2.6622571344793493
Energy: 2.023893504667086
Energy: 2.6622571344798844
Energy: 2.053498835306738
Energy: 2.6622571344793493
Energy: 1.9288080004043506
Energy: 2.438562352779561
Energy: 1.916862422659872
Energy: 2.4385623527784914
Energy: 1.9288080004038157
Energy: 2.4385623527774216
Energy: 2.3793597828939514
Energy: 2.6591790962430886
Energy: 2.494858818278795
Energy: 2.6591790962425534
Energy: 2.3793597828934168
Energy: 2.6591790962425534
Energy: 2.0507973543790357
Energy: 2.6861542015002815
Energy: 2.1283459816397543
Energy: 2.686154201500816
Energy: 2.0507973543785005
Energy: 2.686154201500816
Energy: 2.1813522422724185
Energy: 2.6131052586472396
Energy: 2.0238724018942706
Energy: 2.6131052586472396
Energy: 2.1813522422724185
Energy: 2.6131052586472396
Energy: 2.2350018819920248
Energy: 2.609612775861381
Energy: 1.9783079352389752
Energy: 2.609612775860846
Energy: 2.2350018819936297
Energy: 2.609612775860846
Energy: 2.0467173325509247
Energy: 2.6110791810587286
Energy: 2.053156774780428
Energy: 2.6110791810608682
Energy: 2.0467173325509247
Energy: 2.6110791810608682
Energy: 2.243531025025567
Energy: 2.6582637606871393
Energy: 1.928723363864325
Energy: 2.6582637606860695
Energy: 2.2435310250261016
Energy: 2.6582637606860695
Energy: 1.9289776687123648
Energy: 2.78769982253578
Energy: 1.928789845978619
Energy: 2.4338772665346062
Energy: 1.9289776687123648
Energy: 2.7876998225336402
Energy: 1.928784343991213
Energy: 2.65832832913359
Energy: 2.2435903982864787
Energy: 2.6583283291330555
Energy: 1.928784343991213
Energy: 2.6583283291330555
Energy: 2.0535552507748682
Energy: 2.611307795063859
Energy: 2.0469604804365726
Energy: 2.611307795064928
Energy: 2.0535552507737984
Energy: 2.611307795064928
Energy: 1.978297451200816
Energy: 2.609457227211104
Energy: 2.2424069650316016
Energy: 2.609457227210034
Energy: 1.978297451201351
Energy: 2.609457227210034
Energy: 2.02376943501073
Energy: 2.6130259377788376
Energy: 2.181123649504257
Energy: 2.6130259377783025
Energy: 2.023769435010195
Energy: 2.6130259377783025
Energy: 2.1280829190550947
Energy: 2.6858627836823854
Energy: 2.0508804928105757
Energy: 2.6858627836834548
Energy: 2.1280829190583037
Energy: 2.6858627836834548
Energy: 2.494976499010432
Energy: 2.6591884098688956
Energy: 2.379009526735718
Energy: 2.659188409867826
Energy: 2.4949764990115013
Energy: 2.659188409868361
Energy: 1.9168656409360778
Energy: 2.4385588139877705
Energy: 1.9288237494027078
Energy: 2.4385588139877705
Energy: 1.9168656409360778
Energy: 2.4385588139877705
Energy: 2.023831730936356
Energy: 2.662305716707782
Energy: 2.0534965605570377
Energy: 2.6623057167067117
Energy: 2.023831730936356
Energy: 2.6623057167067117
Energy: 2.0525622665649097
Energy: 2.624421204785924
Energy: 2.3209974967855556
Energy: 2.6244212047853894
Energy: 2.052562266564375
Energy: 2.6244212047853894
Energy: 1.978024352114344
Energy: 2.608920246157
Energy: 2.2360904253444147
Energy: 2.6089202461559298
Energy: 1.978024352114344
Energy: 2.608920246156465
Energy: 2.0563605551454365
Energy: 2.4733864324889705
Energy: 2.250566376113583
Energy: 2.473386432489506
Energy: 2.0563605551454365
Energy: 2.473386432489506
Energy: 2.1066443498969827
Energy: 2.603693859691294
Energy: 2.2455036137304853
Energy: 2.6036938596907593
Energy: 2.106644349898587
Energy: 2.603693859691294
Energy: 2.2162889948928197
Energy: 2.5929082955817835
Energy: 2.5114713883587085
Energy: 2.5929082955817835
Energy: 2.2162889948922846
Energy: 2.5929082955817835
Energy: 2.025656818389746
Energy: 2.4383421108074113
Energy: 1.9325900351809755
Energy: 2.4383421108090153
Energy: 2.025656818387606
Energy: 2.4383421108090153
Energy: 1.908892493113003
Energy: 2.6384122515041417
Energy: 1.978441136109718
Energy: 2.6384122515052124
Energy: 1.9088924931124682
Energy: 2.6384122515041417
Energy: 1.9085712081359516
Energy: 2.6855451216265114
Energy: 1.982233544410275
Energy: 2.685545121628116
Energy: 1.9085712081364863
Energy: 2.685545121627581
Energy: 2.051135174554747
Energy: 2.7250554353661482
Energy: 2.0239598687251337
Energy: 2.7250554353682883
Energy: 2.0511351745558164
Energy: 2.7250554353682883
Energy: 2.052230076037889
Energy: 2.6095856612840858
Energy: 2.2430957630524047
Energy: 2.6095856612830164
Energy: 2.0522300760389585
Energy: 2.6095856612830164
Energy: 2.3951092672271113
Energy: 2.7160396027647424
Energy: 2.495322495198332
Energy: 2.716039602766347
Energy: 2.3951092672276464
Energy: 2.716039602765277
Energy: 2.0529240123269723
Energy: 2.6095856612856903
Energy: 2.2431957750001157
Energy: 2.60958566128676
Energy: 2.0529240123275074
Energy: 2.57650611287998
Energy: 2.051149594704171
Energy: 2.725060042750667
Energy: 2.023957218621607
Energy: 2.7250600427512026
Energy: 2.051149594704706
Energy: 2.725060042751737
Energy: 1.908579927554332
Energy: 2.685773325697692
Energy: 1.9822334037911806
Energy: 2.685773325697692
Energy: 1.908579927554332
Energy: 2.685773325698227
Energy: 1.9087585905903373
Energy: 2.6380733626260553
Energy: 1.97843675583987
Energy: 2.6380733626249855
Energy: 1.908758590590872
Energy: 2.6380733626255206

minimum gb energy = 1.9085712081359516 eV
minimum distance =  2.37986631887056 Angstroms
sigma value = 57


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

Energy: 2.1225924430351517
Energy: 1.9971133499173968
Energy: 2.3811177073670837
Energy: 1.9971133499173968
Energy: 2.1225924430363694
Energy: 1.9971133499198317
Energy: 2.707797549000292
Energy: 2.5944639870834276
Energy: 1.9372572649924649
Energy: 2.5944639870834276
Energy: 2.707797549000292
Energy: 2.5944639870834276
Energy: 1.7461651212329095
Energy: 2.491654873776502
Energy: 1.806167766666773
Energy: 2.491654873775284
Energy: 1.7461651212329095
Energy: 2.491654873775284
Energy: 1.8067188292707297
Energy: 1.80776476507738
Energy: 1.8054538352319824
Energy: 1.8077647650761628
Energy: 1.8067188292707297
Energy: 1.80776476507738
Energy: 1.8058061286930898
Energy: 2.1753720879285243
Energy: 1.93789387026159
Energy: 2.1753720879309593
Energy: 1.8058061286943072
Energy: 2.175372087929742
Energy: 2.7718386642907866
Energy: 2.492156079374579
Energy: 1.7468990114332297
Energy: 2.492156079374579
Energy: 2.7718386642907866
Energy: 2.492156079374579
Energy: 2.7718186149729607
Energy: 2.4920776735156527
Energy: 1.7469463978442459
Energy: 2.4920776735156527
Energy: 2.7718186149729607
Energy: 2.4920776735168704
Energy: 1.805805578936459
Energy: 2.1754091701838107
Energy: 1.805629482741924
Energy: 2.175409170181376
Energy: 1.805805578936459
Energy: 2.175409170181376
Energy: 1.8065610325350687
Energy: 1.807229971745279
Energy: 1.9374857161567893
Energy: 1.8072299717464966
Energy: 1.8065610325362866
Energy: 1.8072299717464966
Energy: 1.7461495174048354
Energy: 2.491637669960927
Energy: 1.8070690599838901
Energy: 2.49163766995971
Energy: 1.7461495174048354
Energy: 2.49163766995971
Energy: 2.7079232343638964
Energy: 2.594463987085863
Energy: 1.8051944415830434
Energy: 2.5944639870870807
Energy: 2.7079232343638964
Energy: 2.5944639870870807
Energy: 2.1225924430351517
Energy: 1.9971133499186144
Energy: 2.2944153520538855
Energy: 1.9971133499186144
Energy: 2.1225924430351517
Energy: 1.9971133499186144
Energy: 2.707797549000292
Energy: 2.5944639870834276
Energy: 1.8182751970604916
Energy: 2.5944639870834276
Energy: 2.707797549000292
Energy: 2.5944639870834276
Energy: 1.7461651212329095
Energy: 2.491654873775284
Energy: 1.8061677666679907
Energy: 2.491654873775284
Energy: 1.7461651212329095
Energy: 2.491654873776502
Energy: 1.8067188292707297
Energy: 1.8077647650761628
Energy: 1.8054538352319824
Energy: 1.80776476507738
Energy: 1.806718829271947
Energy: 1.80776476507738
Energy: 1.8058061286930898
Energy: 2.175372087929742
Energy: 1.7551980194378558
Energy: 2.175372087929742
Energy: 1.8058061286930898
Energy: 2.175372087929742
Energy: 2.7718386642907866
Energy: 2.492156079374579
Energy: 1.7468990114344471
Energy: 2.492156079374579
Energy: 2.7718386642907866
Energy: 2.492156079374579
Energy: 2.7718186149729607
Energy: 2.4920776735168704
Energy: 1.7469463978430284
Energy: 2.4920776735168704
Energy: 2.7718186149729607
Energy: 2.492077673518088
Energy: 1.805805578936459
Energy: 2.175409170181376
Energy: 1.805629482741924
Energy: 2.175409170180158
Energy: 1.805805578936459
Energy: 2.1754091701825935

minimum gb energy = 1.7461495174048354 eV
minimum distance =  2.37163873498781 Angstroms
sigma value = 11


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

Energy: 1.8949558634596502
Energy: 2.4995113879778126
Energy: 2.1928566116391686
Energy: 2.4995113879760287
Energy: 1.894955863458758
Energy: 2.4995113879760287
Energy: 2.7182899174171156
Energy: 2.358509317164478
Energy: 1.6525268681368082
Energy: 2.3585093171653697
Energy: 2.7182899174171156
Energy: 2.3585093171653697
Energy: 1.886445874713199
Energy: 2.0329262426500363
Energy: 1.9178946560685495
Energy: 2.032926242706224
Energy: 1.886445874713199
Energy: 2.0329262428604378
Energy: 2.01049726058664
Energy: 2.0354747377615148
Energy: 1.6519506588541204
Energy: 2.0354747377588396
Energy: 2.0104972605875315
Energy: 2.0354747377588396
Energy: 1.6520768553410023
Energy: 2.5196043691157852
Energy: 1.7640447036223685
Energy: 2.5196043691184604
Energy: 1.6520768553410023
Energy: 2.5196043691184604
Energy: 1.687838248347623
Energy: 2.4347536043616302
Energy: 1.6524943797401221
Energy: 2.4347536043616302
Energy: 1.687838248347623
Energy: 2.434753604362522
Energy: 1.6852715657795223
Energy: 2.4300534116497325
Energy: 1.652393802794764
Energy: 2.430053411647949
Energy: 1.6852715657795223
Energy: 2.430053411647949
Energy: 2.3943238468191703
Energy: 2.483245723669188
Energy: 1.6859171146803387
Energy: 2.4832457236700796
Energy: 2.3943238468191703
Energy: 2.4832457236700796
Energy: 2.3932393839109474
Energy: 2.4809880051738142
Energy: 2.1971585187993594
Energy: 2.4809880051738142
Energy: 2.3932393839100556
Energy: 2.4809880051738142
Energy: 1.6878283444111428
Energy: 2.42930185765036
Energy: 1.6522471555032043
Energy: 2.4293018576494685
Energy: 1.6878283444111428
Energy: 2.4293018576476846
Energy: 1.6857884540738648
Energy: 2.4827532698641273
Energy: 1.6524307874472297
Energy: 2.4827532698623433
Energy: 1.6857884540738648
Energy: 2.4827532698623433
Energy: 1.6547518447872447
Energy: 2.480827953303186
Energy: 1.6521438903527081
Energy: 2.480827953302294
Energy: 1.6547518447863527
Energy: 2.480827953303186
Energy: 2.3829954323946283
Energy: 1.686507235871723
Energy: 1.7630463295432355
Energy: 1.6865072358690476
Energy: 2.3829954323955196
Energy: 1.6865072358690476
Energy: 1.8889579422095848
Energy: 1.8888066768148102
Energy: 1.6853237059850414
Energy: 1.8888066768183778
Energy: 1.8889579422095848
Energy: 1.8888066768157021
Energy: 2.7182068220941984
Energy: 2.3576808150962036
Energy: 1.6523776951700861
Energy: 2.3576808150953115
Energy: 2.7182068220941984
Energy: 2.3576808150979875
Energy: 1.8970327357740941
Energy: 2.507888581860817
Energy: 2.0440110732930417
Energy: 2.507888581858142
Energy: 1.8970327357740941
Energy: 2.507888581859034
Energy: 2.7359055637598106
Energy: 2.356393795332384
Energy: 1.7010760357083765
Energy: 2.356393795336843
Energy: 2.735905563758919
Energy: 2.356393795336843
Energy: 1.888800958558203
Energy: 2.029465776692185
Energy: 1.743463747298698
Energy: 2.0294657767314273
Energy: 1.888800958558203
Energy: 2.0294657767439133
Energy: 2.011207418102383
Energy: 2.302940703767036
Energy: 1.6519890613412074
Energy: 2.302940703766144
Energy: 2.0112074181032753
Energy: 2.302940703767036
Energy: 1.6546657526711908
Energy: 2.488175899233608
Energy: 1.6856539526504972
Energy: 2.4881758992344993
Energy: 1.6546657526702988
Energy: 2.488175899233608
Energy: 2.484785877629081
Energy: 2.4302588878345266
Energy: 1.6521277614003063
Energy: 2.4302588878372022
Energy: 2.4847858776299727
Energy: 2.4302588878372022
Energy: 1.6877595460384482
Energy: 2.136240976068801
Energy: 1.6525770530468207
Energy: 2.136240976125881
Energy: 1.6877595460366646
Energy: 2.136240976685735
Energy: 2.3976056660052456
Energy: 2.462654972439666
Energy: 1.8974878798377108
Energy: 2.462654972438774
Energy: 2.3976056660052456
Energy: 2.462654972438774
Energy: 1.6548020085959885
Energy: 2.520193389989916
Energy: 2.342005382287324
Energy: 2.520193389990807
Energy: 1.6548020085950965
Energy: 2.5201933899916993
Energy: 1.6956859819001993
Energy: 2.3393833843945178
Energy: 1.651848977516371
Energy: 2.3393833843971934
Energy: 1.6956859819010908
Energy: 2.3393833843989773
Energy: 1.6881462127588593
Energy: 2.459965614343691
Energy: 1.6525309636738508
Energy: 2.459965614342799
Energy: 1.6881462127588593
Energy: 2.459965614344583

minimum gb energy = 1.651848977516371 eV
minimum distance =  2.43963636295346 Angstroms
sigma value = 41


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

Energy: 2.4575838742763967
Energy: 2.293149413171655
Energy: 1.6491125083864522
Energy: 2.293149413172358
Energy: 2.4575838742763967
Energy: 2.293149413172358
Energy: 3.017507827243452
Energy: 2.156890294313633
Energy: 1.5422027422354887
Energy: 2.1568902943129307
Energy: 3.017507827243452
Energy: 2.1568902943129307
Energy: 1.7130527511403517
Energy: 2.2532788964799724
Energy: 1.6746387372174127
Energy: 2.2532788964799724
Energy: 1.7130527511403517
Energy: 2.2532788964799724
Energy: 2.4130239927313295
Energy: 1.5839169136084201
Energy: 1.542500337688915
Energy: 1.5839169136097941
Energy: 2.413023992730627
Energy: 1.5839169136097941
Energy: 1.7136212297251385
Energy: 1.71724102146055
Energy: 1.583946321042796
Energy: 1.7172410214598468
Energy: 1.7136212297251385
Energy: 1.7172410214598468
Energy: 2.1366006245916322
Energy: 2.236089559946902
Energy: 1.542780739980171
Energy: 2.236089559945496
Energy: 2.136600624592335
Energy: 2.236089559945496
Energy: 1.5421696529121227
Energy: 2.2638840135208604
Energy: 1.5428645922514759
Energy: 2.2638840135208604
Energy: 1.5421696529121227
Energy: 2.2638840135208604
Energy: 2.2205449316618817
Energy: 2.225649086058004
Energy: 1.5644635260601751
Energy: 2.225649086058004
Energy: 2.2205449316618817
Energy: 2.2256490860573015
Energy: 1.5837261697272016
Energy: 2.1816954724973336
Energy: 2.089783351843605
Energy: 2.18169547249596
Energy: 1.5837261697272016
Energy: 2.18169547249596
Energy: 2.1473568763123274
Energy: 2.250986259432059
Energy: 2.096432144121386
Energy: 2.2509862594327616
Energy: 2.1473568763123274
Energy: 2.2509862594334646
Energy: 2.1443317999679223
Energy: 2.2417680249748786
Energy: 2.096552968567617
Energy: 2.2417680249748786
Energy: 2.1443317999679223
Energy: 2.2417680249748786
Energy: 1.5833317464997825
Energy: 2.225409559676316
Energy: 1.5645491849739182
Energy: 2.225409559675613
Energy: 1.5833317464997825
Energy: 2.2254095596749095
Energy: 1.5844081089315123
Energy: 2.2326747751985514
Energy: 2.0897670968935107
Energy: 2.232674775199957
Energy: 1.5844081089315123
Energy: 2.232674775199957
Energy: 1.5422334027384452
Energy: 2.2397326941887905
Energy: 1.5427145721175068
Energy: 2.2397326941880875
Energy: 1.5422334027391482
Energy: 2.2397326941880875
Energy: 2.1353081283562263
Energy: 2.236364577394133
Energy: 1.5425547536467192
Energy: 2.236364577394133
Energy: 2.1353081283562263
Energy: 2.236364577392024
Energy: 1.7184134905823887
Energy: 2.241268844586119
Energy: 1.5427183465318055
Energy: 2.241268844586119
Energy: 1.7184134905823887
Energy: 2.241268844586119
Energy: 2.0894310128756586
Energy: 2.2756828687979156
Energy: 1.5835931102043828
Energy: 2.2756828687986186
Energy: 2.0894310128756586
Energy: 2.2756828687986186
Energy: 1.713363875886097
Energy: 2.2399799822074233
Energy: 1.5841141273089616
Energy: 2.2399799822088293
Energy: 1.7133638758867997
Energy: 2.239979982208126
Energy: 2.691284910456435
Energy: 2.152294856115608
Energy: 1.5422125900709391
Energy: 2.152294856114905
Energy: 2.6912849104557326
Energy: 2.152294856115608
Energy: 2.0960155486212324
Energy: 2.255747794202203
Energy: 2.1445457105659074
Energy: 2.2557477942015
Energy: 2.0960155486212324
Energy: 2.255747794200797
Energy: 2.6785220195897708
Energy: 2.1539008307708363
Energy: 1.5835203776024278
Energy: 2.1539008307687273
Energy: 2.6785220195897708
Energy: 2.1539008307687273
Energy: 1.7132156759751567
Energy: 2.2253130190172974
Energy: 1.5835190168982989
Energy: 2.2253130190172974
Energy: 1.7132156759758597
Energy: 2.2253130190172974
Energy: 2.451773523250296
Energy: 1.5837616445316485
Energy: 1.5421094158317814
Energy: 1.5837616445316485
Energy: 2.451773523250999
Energy: 1.5837616445316485
Energy: 1.7181891753084924
Energy: 2.241185579472187
Energy: 1.8603704915078851
Energy: 2.2411855794707813
Energy: 1.7181891753091953
Energy: 2.2411855794707813
Energy: 1.8615528362776383
Energy: 2.232949629111283
Energy: 1.5429924427539463
Energy: 2.23294962911058
Energy: 1.8615528362776383
Energy: 2.23294962911058
Energy: 1.5419882384011565
Energy: 1.5839395014177826
Energy: 1.8166606744237788
Energy: 1.5839395014198594
Energy: 1.5419882384011565
Energy: 1.5839395014268889
Energy: 2.2376098976375856
Energy: 2.2249701043591896
Energy: 1.7132590627337518
Energy: 2.224970104359893
Energy: 2.2376098976375856
Energy: 2.224970104359893
Energy: 1.583225186032104
Energy: 2.2523180144964177
Energy: 2.089058991697262
Energy: 2.2523180144957147
Energy: 1.583225186032104
Energy: 2.2523180144957147
Energy: 2.145054993973091
Energy: 2.250228300621557
Energy: 2.096852040961685
Energy: 2.250228300621557
Energy: 2.145054993973091
Energy: 2.2502283006222603
Energy: 1.5421934546384273
Energy: 1.9313250810449107
Energy: 2.0961062481895216
Energy: 1.9313250810947882
Energy: 1.5421934546391303
Energy: 1.9313250810449107
Energy: 1.583562781283484
Energy: 2.2398277875050265
Energy: 1.7135372407766192
Energy: 2.2398277875057295
Energy: 1.583562781283484
Energy: 2.2398277875050265
Energy: 1.5835441375688977
Energy: 2.3008833662372066
Energy: 2.0897114193918935
Energy: 2.3008833662372066
Energy: 1.5835441375688977
Energy: 2.3008833662372066
Energy: 1.5422818833678913
Energy: 2.239614366530403
Energy: 1.542779671100104
Energy: 2.239614366530403
Energy: 1.5422818833692975
Energy: 2.239614366531106

minimum gb energy = 1.5419882384011565 eV
minimum distance =  2.39292073966867 Angstroms
sigma value = 33


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

Energy: 2.0423801513640294
Energy: 2.026001956526303
Energy: 1.9193484697857606
Energy: 2.0260019565277836
Energy: 2.0423801513640294
Energy: 2.0260019565277836
Energy: 2.8478701255887167
Energy: 1.465233574687159
Energy: 1.4016863791015366
Energy: 1.465233574689132
Energy: 2.8478701255887167
Energy: 1.465233574688639
Energy: 2.0243153811893975
Energy: 2.0350798663808662
Energy: 1.5002767156685675
Energy: 2.0350798663833327
Energy: 2.0243153811893975
Energy: 2.0350798663828393
Energy: 2.680168206899818
Energy: 1.4231670531422054
Energy: 1.4016685302622112
Energy: 1.4231670531451655
Energy: 2.680168206899818
Energy: 1.423167053144672
Energy: 1.5200679494703722
Energy: 1.9924104618846101
Energy: 1.4521734721910873
Energy: 1.9924104618836234
Energy: 1.5200679494703722
Energy: 1.99241046188313
Energy: 2.194963425611065
Energy: 1.9197953718092782
Energy: 1.4015916353623286
Energy: 1.9197953718087846
Energy: 2.194963425611065
Energy: 1.9197953718087846
Energy: 1.5075283537168618
Energy: 1.9383564811832403
Energy: 1.4083910073712314
Energy: 1.9383564811852136
Energy: 1.5075283537168618
Energy: 1.93835648118472
Energy: 2.00064252015818
Energy: 1.8942308172998255
Energy: 1.4025180470905374
Energy: 1.894230817299332
Energy: 2.0006425201576863
Energy: 1.894230817300319
Energy: 1.4022581371772913
Energy: 1.9919769458270264
Energy: 1.6892914078508967
Energy: 1.99197694582604
Energy: 1.4022581371777845
Energy: 1.9919769458255463
Energy: 1.8078023960072438
Energy: 1.9899560432830443
Energy: 1.779448544775365
Energy: 1.9899560432820578
Energy: 1.8078023960067506
Energy: 1.9899560432820578
Energy: 1.4010243872144146
Energy: 1.9389729121877561
Energy: 1.7785728224297725
Energy: 1.9389729121867691
Energy: 1.4010243872144146
Energy: 1.9389729121872628
Energy: 2.237087100795328
Energy: 2.015685386751919
Energy: 1.7956977343886191
Energy: 2.0156853867514255
Energy: 2.237087100794835
Energy: 2.015685386751919
Energy: 1.7862240232013251
Energy: 2.011188738546819
Energy: 2.085018801650265
Energy: 2.011188738545339
Energy: 1.7862240232013251
Energy: 2.011188738545339
Energy: 1.8154093865663954
Energy: 2.0295935457834804
Energy: 2.1861672273459276
Energy: 2.0295935457820002
Energy: 1.8154093865668888
Energy: 2.0295935457824936
Energy: 1.8099806879497482
Energy: 1.946231150559968
Energy: 2.1846195579645373
Energy: 1.9462311505609546
Energy: 1.8099806879488065
Energy: 1.9462311505619412
Energy: 1.7886075564267838
Energy: 2.0128249137629948
Energy: 1.795924267640494
Energy: 2.0128249137629948
Energy: 1.7886075564253037
Energy: 2.0128249137625014
Energy: 1.7874592423949525
Energy: 2.012826603619499
Energy: 2.0850422994699405
Energy: 2.012826603619499
Energy: 1.7874592423949525
Energy: 2.012826603619499
Energy: 1.4089355623510451
Energy: 2.0152291586526556
Energy: 1.7796371224345384
Energy: 2.015229158653642
Energy: 1.4089355623505517
Energy: 2.015229158653642
Energy: 1.812209188717617
Energy: 1.9807115414351644
Energy: 1.7784344273127362
Energy: 1.9807115414361511
Energy: 1.8122091887186036
Energy: 1.9807115414361511
Energy: 1.4082613522336744
Energy: 2.0177392701391104
Energy: 1.4024418312614593
Energy: 2.017739270138617
Energy: 1.4082613522336744
Energy: 2.017739270138617
Energy: 1.7876258991264606
Energy: 1.9874783576100175
Energy: 1.6891636037320727
Energy: 1.9874783576095238
Energy: 1.7876258991264606
Energy: 1.9874783576095238
Energy: 1.506136493047462
Energy: 2.0152350444423988
Energy: 1.4017588225764428
Energy: 2.0152350444423988
Energy: 1.506136493047462
Energy: 2.0152350444419054
Energy: 2.1948059786479157
Energy: 1.9989790241188978
Energy: 1.4078742082032558
Energy: 1.9989790241188978
Energy: 2.194805978648902
Energy: 1.998979024119391
Energy: 1.5297857705034166
Energy: 2.017863350670673
Energy: 1.40156390233744
Energy: 2.017863350670673
Energy: 1.5297857705029232
Energy: 2.017863350671166
Energy: 2.1811866710796064
Energy: 1.9864795284305894
Energy: 1.6953754443212325
Energy: 1.9864795284300962
Energy: 2.1811866710781267
Energy: 1.9864795284305894
Energy: 1.9831135271094416
Energy: 2.0166862455215746
Energy: 1.4219280268246672
Energy: 2.016686245520588
Energy: 1.9831135271094416
Energy: 2.016686245520588
Energy: 2.847069006982461
Energy: 1.6697121374157533
Energy: 1.408045200482049
Energy: 1.6697121374162467
Energy: 2.8470690069814744
Energy: 1.6697121374147668
Energy: 2.0105387383165256
Energy: 2.014515783087026
Energy: 1.8106899056857568
Energy: 2.0145157830865332
Energy: 2.0105387383165256
Energy: 2.014515783087026
Energy: 2.404519216993537
Energy: 1.9736831006262592
Energy: 1.5915179667452763
Energy: 1.9736831006282325
Energy: 2.4045192169940304
Energy: 1.9736831006282325
Energy: 1.9831152126337774
Energy: 2.0161234597355073
Energy: 1.861458476722875
Energy: 2.0161234597360003
Energy: 1.9831152126342706
Energy: 2.0161234597355073
Energy: 2.4206386313023396
Energy: 1.4240427978684633
Energy: 1.4090242256670051
Energy: 1.42404279786945
Energy: 2.4206386313013533
Energy: 1.4240427978689567
Energy: 1.5298154584570998
Energy: 1.9851894985323542
Energy: 1.8553454722661473
Energy: 1.9851894985333407
Energy: 1.5298154584570998
Energy: 1.9851894985328475
Energy: 1.994220665999914
Energy: 1.939102087942561
Energy: 1.408289048913331
Energy: 1.9391020879420673
Energy: 1.994220665999914
Energy: 1.9391020879420673
Energy: 1.5056469998764368
Energy: 1.9139645109439136
Energy: 2.2605171697706066
Energy: 1.9139645109444068
Energy: 1.50564699987841
Energy: 1.9139645109439136
Energy: 2.2605513152930565
Energy: 1.9327794612311289
Energy: 1.5057974936898673
Energy: 1.932779461231622
Energy: 2.2605513152940433
Energy: 1.932779461231622
Energy: 1.4081111176068044
Energy: 1.9392666190688694
Energy: 1.994324584620866
Energy: 1.939266619067883
Energy: 1.408111117607746
Energy: 1.939266619068376
Energy: 1.8472050277110283
Energy: 1.9850073727136222
Energy: 1.5297754016813356
Energy: 1.9850073727131288
Energy: 1.847205027711522
Energy: 1.9850073727131288
Energy: 1.4090286343164655
Energy: 1.4237545473808246
Energy: 2.4207828632252752
Energy: 1.4237545473808246
Energy: 1.4090286343164655
Energy: 1.4237545473808246
Energy: 1.8614584767243547
Energy: 2.0161281082980755
Energy: 1.9890628157840147
Energy: 2.016128108300049
Energy: 1.8614584767238618
Energy: 2.0161281082995557
Energy: 1.7885261587457144
Energy: 1.9740032729949761
Energy: 2.3994864908681053
Energy: 1.9740032729949761
Energy: 1.788526158746701
Energy: 1.9740032729954697
Energy: 1.8108775406963313
Energy: 2.012587459178862
Energy: 2.0105305167050536
Energy: 2.0125874591783686
Energy: 1.8108775406968245
Energy: 2.0125874591783686
Energy: 1.4080492477630904
Energy: 1.6699302721828155
Energy: 2.8471816268634553
Energy: 1.6699302721907088
Energy: 1.4080492477640771
Energy: 1.6699302592000338
Energy: 1.4219202084843279
Energy: 2.016618867714785
Energy: 1.9886330666676688
Energy: 2.016618867714785
Energy: 1.4219202084853144
Energy: 2.0166188677142918
Energy: 1.788601999854217
Energy: 1.98614850852717
Energy: 2.181027677963938
Energy: 1.9861485085281565
Energy: 1.788601999853724
Energy: 1.9861485085281565
Energy: 1.401760490460002
Energy: 2.013077603137433
Energy: 1.529792807798204
Energy: 2.013077603137433
Energy: 1.4017604904580288
Energy: 2.013077603137433
Energy: 1.4081248070243322
Energy: 1.9989790241164311
Energy: 2.1950496607897665
Energy: 1.9989790241159378
Energy: 1.4081248070243322
Energy: 1.9989790241164311
Energy: 1.4017795676301625
Energy: 2.015431002227968
Energy: 1.5059287065611542
Energy: 2.015431002227968
Energy: 1.4017795676286822
Energy: 2.015431002227968

minimum gb energy = 1.4010243872144146 eV
minimum distance =  2.45637684930824 Angstroms
sigma value = 67


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

Energy: 0.516167635620573
Energy: 0.5165408648179522
Energy: 1.727846302816875
Energy: 0.5165408648179522
Energy: 0.5161676356202731
Energy: 0.5165408648176526
Energy: 0.5605632718185584
Energy: 1.3100471880560456
Energy: 1.09782039001257
Energy: 1.310047188055746
Energy: 0.5605632718188956
Energy: 1.310047188055746
Energy: 0.516167635619936
Energy: 0.5165408648186267
Energy: 1.7278463028171747
Energy: 0.5165408648176526
Energy: 0.516167635619936
Energy: 0.5165408648176526
Energy: 0.560563271817884
Energy: 1.3100471880560456
Energy: 1.0978203900106218
Energy: 1.3100471880554088
Energy: 0.560563271817884
Energy: 1.310047188055746
Energy: 0.5161676356202731
Energy: 0.5165408648179522
Energy: 2.1018572019265274
Energy: 0.5165408648176526
Energy: 0.5161676356202731
Energy: 0.5165408648179522
Energy: 0.5605632718188956
Energy: 1.3100471880560456
Energy: 1.0978203900115957
Energy: 1.310047188055746
Energy: 0.5605632718188956
Energy: 1.3100471880560456
Energy: 0.516167635619936
Energy: 0.5165408648182895
Energy: 2.630463553738008
Energy: 0.5165408648173154
Energy: 0.5161676356195988
Energy: 0.5165408648176526

minimum gb energy = 0.5161676356195988 eV
minimum distance =  2.69227264550858 Angstroms
sigma value = 3


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

Energy: 2.410762721215326
Energy: 1.9684400356657912
Energy: 2.0441195411395263
Energy: 1.9684400356639968
Energy: 2.410762721215326
Energy: 1.9684400356639968
Energy: 2.85484830118717
Energy: 1.4555848608709039
Energy: 1.4459734914308846
Energy: 1.4555848608744932
Energy: 2.85484830118717
Energy: 1.4555848608740038
Energy: 2.3756007858272206
Energy: 1.9407686568203666
Energy: 1.8474383821454237
Energy: 1.9407686568203666
Energy: 2.3756007858263235
Energy: 1.940768656819469
Energy: 2.6898514287247837
Energy: 1.8136005809033002
Energy: 1.4468165320061812
Energy: 1.7196386223612783
Energy: 2.6898514287247837
Energy: 1.813600580904687
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Energy: 1.851425744529525
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Energy: 1.9281512168140575
Energy: 1.9041141493791576
Energy: 1.7834235801323346
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Energy: 1.4312825523528818
Energy: 1.4301560719167132
Energy: 2.4482496726987293
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Energy: 1.4312825523537793
Energy: 1.430156071911329
Energy: 1.7063720611553777
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Energy: 2.241822603831743
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Energy: 1.706372061153583
Energy: 1.9212424086147026
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Energy: 2.367432694564616
Energy: 1.8191913895668823
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Energy: 1.4481414471430327
Energy: 1.9222705510281723
Energy: 1.5078546611866839
Energy: 1.8676260173846135
Energy: 2.230413837279144
Energy: 1.8676260173770267
Energy: 1.5078546611866839
Energy: 1.867626017376537
Energy: 1.524779548849675
Energy: 1.91107593617685
Energy: 1.9283563702623927
Energy: 1.9198444041515526
Energy: 1.5247795488492668
Energy: 1.9110759361759528
Energy: 1.520532776350239
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Energy: 1.8956731251272694
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Energy: 1.9273498499804578
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Energy: 1.9273498499692816
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Energy: 1.9273498499683843
Energy: 2.236042617618517
Energy: 1.910397042495621
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Energy: 1.910397042487545
Energy: 2.2360426176176196
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Energy: 2.2511033927723485
Energy: 1.9253679178548906
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Energy: 1.9253679178539935
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Energy: 1.9253679178539935
Energy: 2.246527914104694
Energy: 1.9023011771465324
Energy: 1.6665768417658948
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Energy: 1.9023011771469402
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Energy: 1.904730391058314
Energy: 1.4500466277330264
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Energy: 2.3473544317382697
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Energy: 1.9158139467850757
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Energy: 1.925254645050141
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Energy: 1.849976829507155
Energy: 1.4373323826445539
Energy: 1.8499768295080525
Energy: 2.321374415292883
Energy: 1.8499768295080525
Energy: 1.9319359575872856
Energy: 1.9077097462646306
Energy: 1.5080528959669157
Energy: 1.9077097462695254
Energy: 1.9319359575881827
Energy: 1.9077097462691173
Energy: 2.236256769954229
Energy: 1.9235151287755061
Energy: 1.5469504801069114
Energy: 1.9235151287790957
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Energy: 1.923515128778606
Energy: 1.9148530379847564
Energy: 1.8566223474436205
Energy: 1.847726987764361
Energy: 1.8566223474432129
Energy: 1.9148530379856534
Energy: 1.8566223474427235
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Energy: 1.849452435619525
Energy: 1.5546603858159571
Energy: 1.8494524356208302
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Energy: 1.8494524356199324
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Energy: 1.8943147154388533
Energy: 1.8394971026957683
Energy: 1.894314715437548
Energy: 1.5337760504194513
Energy: 1.8943147154361613
Energy: 1.836691632961276
Energy: 1.9233169395803467
Energy: 1.9023063956880726
Energy: 1.9233169395821414
Energy: 1.8366916329617655
Energy: 1.9233169395821414
Energy: 1.5242320523328594
Energy: 1.8082948165678263
Energy: 2.239072029537244
Energy: 1.8082948165701107
Energy: 1.524232052333267
Energy: 1.8082948165701107
Energy: 1.5212605980851313
Energy: 1.8723501847385224
Energy: 1.9283701037457754
Energy: 1.8723501847421116
Energy: 1.5212605980837446
Energy: 1.8723501847421116
Energy: 1.4478378567860797
Energy: 1.7366643162216495
Energy: 2.167994669592652
Energy: 1.7366643162230364
Energy: 1.4478378567855905
Energy: 1.7366643162225468
Energy: 1.5087875552035717
Energy: 1.9265951684805986
Energy: 2.280441923476917
Energy: 1.9265951684752145
Energy: 1.508787555203082
Energy: 1.9265951684752145
Energy: 1.427322175125491
Energy: 1.5321432525225784
Energy: 2.55966674165109
Energy: 1.5321432525211915
Energy: 1.427322175125491
Energy: 1.5321432525211915
Energy: 1.4520179606807169
Energy: 1.9459718259878809
Energy: 2.236275992397599
Energy: 1.9459718259807017
Energy: 1.4520179606802275
Energy: 1.9459718259807017
Energy: 1.4493312528529891
Energy: 1.5613920587587575
Energy: 2.357614261508541
Energy: 1.561392058762755
Energy: 1.449331252853397
Energy: 1.561392058762347
Energy: 1.5266291124458218
Energy: 1.9264453694367494
Energy: 2.2492684054432104
Energy: 1.926445369434955
Energy: 1.5266291124467193
Energy: 1.926445369434955
Energy: 1.433156851407186
Energy: 1.4506874243254295
Energy: 2.450674880299317
Energy: 1.450687424333506
Energy: 1.433156851407186
Energy: 1.4506874243330166
Energy: 1.5457911905141881
Energy: 1.8725168708024875
Energy: 1.928641426709147
Energy: 1.8725168708015902
Energy: 1.5457911905141881
Energy: 1.8725168708015902
Energy: 1.5510281306031084
Energy: 1.5634831667676898
Energy: 2.105071020978652
Energy: 1.5634831667712794
Energy: 1.5510281306031084
Energy: 1.5634831667712794
Energy: 1.8976458259824052
Energy: 1.8605590018431086
Energy: 1.8920534803469238
Energy: 1.8605590018440057
Energy: 1.8976458259828948
Energy: 1.8605590018440057

minimum gb energy = 1.424025391815757 eV
minimum distance =  2.434778229544 Angstroms
sigma value = 81


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

Energy: 2.225587234789973
Energy: 2.1751386811637565
Energy: 2.26702944201738
Energy: 2.1751386811637565
Energy: 2.2255872347887418
Energy: 2.1751386811637565
Energy: 2.6018077507019712
Energy: 1.587780441641969
Energy: 1.5705133713809671
Energy: 1.5877804416395058
Energy: 2.6018077507019712
Energy: 1.5877804416401218
Energy: 2.184233043990288
Energy: 2.1520229246826337
Energy: 1.9057245744099287
Energy: 2.152022924682018
Energy: 2.184233043990288
Energy: 2.152022924682018
Energy: 2.0205619907358714
Energy: 1.5833603689218168
Energy: 1.570731108040007
Energy: 1.5833603689218168
Energy: 2.020561990735256
Energy: 1.5833603689212012
Energy: 1.6199359022545046
Energy: 1.5704326171429557
Energy: 1.5513349277378041
Energy: 1.5704326171429557
Energy: 1.6199359022551205
Energy: 1.5704326171429557
Energy: 1.7854114565445025
Energy: 2.072750460232407
Energy: 1.5889225834772844
Energy: 2.072750460231791
Energy: 1.7854114565438868
Energy: 2.072750460231791
Energy: 1.5991902811890055
Energy: 2.1158110780905623
Energy: 1.832958839105345
Energy: 2.1158110780911783
Energy: 1.5991902811890055
Energy: 2.1158110780911783
Energy: 1.56788930352111
Energy: 2.0456736076299484
Energy: 1.6142082501055552
Energy: 2.045673607630564
Energy: 1.5678893035217256
Energy: 2.04567360763118
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Energy: 2.3317216295867076
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Energy: 1.6074486735956048
Energy: 2.113488647347772
Energy: 2.1203051033605815
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Energy: 1.6074486735962206
Energy: 2.1134886473483876
Energy: 1.5826190511748124
Energy: 1.8569092261896674
Energy: 2.3873656823470277
Energy: 1.8569092261908993
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Energy: 1.622089581652704
Energy: 2.139004976433291
Energy: 2.166270269934661
Energy: 2.139004976434523
Energy: 1.6220895816533196
Energy: 2.139004976434523
Energy: 1.5706730065096461
Energy: 2.1166504198028093
Energy: 2.5896721309730046
Energy: 2.1166504198021934
Energy: 1.5706730065096461
Energy: 2.1166504198021934
Energy: 1.5838495431939612
Energy: 2.1137821084629724
Energy: 2.12026682599635
Energy: 2.1137821084635884
Energy: 1.5838495431939612
Energy: 2.1137821084629724
Energy: 1.583105726210643
Energy: 2.111414272763493
Energy: 2.0241181018981615
Energy: 2.1114142727647245
Energy: 1.583105726210643
Energy: 2.1114142727647245
Energy: 1.5709965895986435
Energy: 2.1418283316641418
Energy: 1.6145188104173958
Energy: 2.1418283316635263
Energy: 1.5709965895980276
Energy: 2.1418283316635263
Energy: 1.570622110448777
Energy: 2.071843663572991
Energy: 2.0417248516971807
Energy: 2.071843663572375
Energy: 1.570622110448777
Energy: 2.071843663572375
Energy: 2.020090530214912
Energy: 2.116285132083128
Energy: 1.5708943102128075
Energy: 2.1162851320812806
Energy: 2.020090530215528
Energy: 2.1162851320812806
Energy: 2.0240637617638253
Energy: 2.1292120718722933
Energy: 1.5827174274109337
Energy: 2.1292120718710623
Energy: 2.0240637617638253
Energy: 2.129212071870447
Energy: 2.120859824467069
Energy: 2.1416693927021524
Energy: 1.5708764645170534
Energy: 2.1416693927027683
Energy: 2.120859824467685
Energy: 2.1416693927033843
Energy: 2.12064331321711
Energy: 2.1133024314904043
Energy: 2.039785462175383
Energy: 2.1133024314910203
Energy: 2.1206433132164944
Energy: 2.1133024314910203
Energy: 2.5807445633566117
Energy: 2.1157685970845312
Energy: 1.583149214238238
Energy: 2.1157685970826843
Energy: 2.580744563355996
Energy: 2.1157685970826843
Energy: 2.58057807787548
Energy: 2.115867251773243
Energy: 1.5831481886390377
Energy: 2.1158672517726274
Energy: 2.58057807787548
Energy: 2.115867251773243
Energy: 2.120842356755609
Energy: 2.1133331642092354
Energy: 1.8007902733332424
Energy: 2.113333164209851
Energy: 2.120842356755609
Energy: 2.113333164209851
Energy: 2.121008736947384
Energy: 2.1414741507375683
Energy: 1.5711444235041658
Energy: 2.1414741507363364
Energy: 2.121008736947384
Energy: 2.1414741507363364
Energy: 2.0241710158373105
Energy: 2.1288978749539607
Energy: 1.5826802030766993
Energy: 2.128897874954576
Energy: 2.024171015838542
Energy: 2.128897874954576
Energy: 2.024120303888324
Energy: 2.1162996412635824
Energy: 1.5708342044739674
Energy: 2.1162996412635824
Energy: 2.024120303888324
Energy: 2.1162996412635824
Energy: 1.5706443547541555
Energy: 2.072292898627031
Energy: 1.8023478956984236
Energy: 2.0722928986257996
Energy: 1.5706443547541555
Energy: 2.0722928986251836
Energy: 1.5710209845658272
Energy: 2.1417316082852498
Energy: 1.6145858423309896
Energy: 2.141731608285865
Energy: 1.5710209845658272
Energy: 2.141731608285865
Energy: 1.583138740108345
Energy: 2.111414272761645
Energy: 2.023413654854861
Energy: 2.111414272762261
Energy: 1.583138740108345
Energy: 2.111414272761645
Energy: 1.5838576159375233
Energy: 2.113611714651767
Energy: 2.120330216650673
Energy: 2.113611714650535
Energy: 1.5838576159375233
Energy: 2.113611714651151
Energy: 1.5705225142165984
Energy: 2.1168091051736795
Energy: 2.349679921618763
Energy: 2.116809105174295
Energy: 1.5705225142165984
Energy: 2.1168091051749114
Energy: 1.622284921582932
Energy: 2.1389306525131504
Energy: 2.166255816381476
Energy: 2.1389306525149983
Energy: 1.622284921582316
Energy: 2.1389306525137664
Energy: 1.5826062944275163
Energy: 1.857066476316977
Energy: 2.3875011661629926
Energy: 1.857066476316977
Energy: 1.5826062944275163
Energy: 1.857066476316977
Energy: 1.6074486735943732
Energy: 2.113509758982664
Energy: 2.120388087626348
Energy: 2.1135097589844554
Energy: 1.6074486735937574
Energy: 2.1135097589844554
Energy: 1.5702922823220948
Energy: 1.5719274969317534
Energy: 2.110089726075907
Energy: 1.5719274969323693
Energy: 1.5702922823227108
Energy: 1.571927496932985
Energy: 1.5682659265877055
Energy: 2.046358528375575
Energy: 1.6143826005467519
Energy: 2.046358528374959
Energy: 1.5682659265883214
Energy: 2.046358528374959
Energy: 1.599196203015985
Energy: 2.115742680681586
Energy: 1.8329514030497613
Energy: 2.115742680682202
Energy: 1.599196203015985
Energy: 2.115742680681586

minimum gb energy = 1.5513349277378041 eV
minimum distance =  2.38927912962484 Angstroms
sigma value = 43


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

Energy: 2.447013233334535
Energy: 2.326671367518305
Energy: 2.0617645021157576
Energy: 2.326671367518305
Energy: 2.447013233335291
Energy: 2.326671367518305
Energy: 2.6395708239805
Energy: 1.715742492472478
Energy: 1.6684922532833852
Energy: 1.7157424924732345
Energy: 2.639570823981256
Energy: 1.7157424924732345
Energy: 1.7448126019559682
Energy: 1.6684676535246135
Energy: 1.684646989319254
Energy: 1.6684676535238572
Energy: 1.7448126019552115
Energy: 1.6684676535238572
Energy: 1.951817460938608
Energy: 1.684544274713834
Energy: 1.6685485467692969
Energy: 1.684544274713834
Energy: 1.9518174609393646
Energy: 1.684544274713834
Energy: 1.6994010389648506
Energy: 2.3184458654080555
Energy: 1.8216814024388266
Energy: 2.318445865408812
Energy: 1.6994010389656071
Energy: 2.3184458654095677
Energy: 1.6702961639262723
Energy: 2.271720373175287
Energy: 1.6681571268726154
Energy: 2.271720373175287
Energy: 1.6702961639262723
Energy: 2.2717203731745306
Energy: 1.6685210666608896
Energy: 1.6688617754390231
Energy: 2.0097357630314137
Energy: 1.6688617754390231
Energy: 1.6685210666608896
Energy: 1.6688617754390231
Energy: 1.7164339041415675
Energy: 2.2214204067592376
Energy: 1.7389758348151674
Energy: 2.2214204067592376
Energy: 1.7164339041430805
Energy: 2.2214204067592376
Energy: 1.6842347367447115
Energy: 2.0178543041905934
Energy: 2.5119181399565997
Energy: 2.017854304189837
Energy: 1.6842347367447115
Energy: 2.017854304189837
Energy: 1.7289948496355905
Energy: 2.283954762465383
Energy: 2.375115879000317
Energy: 2.283954762464626
Energy: 1.7289948496355905
Energy: 2.283954762464626
Energy: 1.6688511337040137
Energy: 2.312479183777111
Energy: 2.250671794518255
Energy: 2.312479183772572
Energy: 1.6688511337040137
Energy: 2.312479183777111
Energy: 1.6849329069512484
Energy: 2.221508181213223
Energy: 1.7388642492963433
Energy: 2.2215081812124664
Energy: 1.684932906952005
Energy: 2.2215081812124664
Energy: 1.6842240705271931
Energy: 1.6712081692317338
Energy: 2.128110615034061
Energy: 1.6712081692309775
Energy: 1.6842240705271931
Energy: 1.6712081692309775
Energy: 1.6685296459111518
Energy: 2.295465500527822
Energy: 1.6689303312954196
Energy: 2.295465500527822
Energy: 1.6685296459111518
Energy: 2.295465500527822
Energy: 1.6689998904851175
Energy: 2.2711061381395594
Energy: 1.6840329632115387
Energy: 2.2711061381395594
Energy: 1.6689998904843613
Energy: 2.2711061381395594
Energy: 2.253249161746296
Energy: 1.9760694450905922
Energy: 1.6688685062360615
Energy: 1.9760694450913487
Energy: 2.253249161747052
Energy: 1.9760694450913487
Energy: 2.2508730095047857
Energy: 2.2214064688561694
Energy: 2.127233121831312
Energy: 2.2214064688561694
Energy: 2.2508730095047857
Energy: 2.221406468855413
Energy: 2.37522925238501
Energy: 2.297061541201616
Energy: 1.684328728527082
Energy: 2.297061541201616
Energy: 2.37522925238501
Energy: 2.297061541201616
Energy: 2.3754463374821584
Energy: 2.296387368282989
Energy: 1.6845445265211858
Energy: 2.296387368284502
Energy: 2.3754463374821584
Energy: 2.296387368284502
Energy: 2.253116130526907
Energy: 2.3128780169095915
Energy: 1.6691289720198523
Energy: 2.3128780169095915
Energy: 2.253116130526907
Energy: 2.3128780169095915
Energy: 2.2514465802801453
Energy: 2.3614162354566184
Energy: 1.668994197970292
Energy: 2.3614162354566184
Energy: 2.251446580280902
Energy: 2.3614162354566184
Energy: 1.6683803549358118
Energy: 2.27125847308014
Energy: 1.684220548653047
Energy: 2.271258473079384
Energy: 1.6683803549358118
Energy: 2.271258473079384
Energy: 1.6693738127055293
Energy: 2.309188231014352
Energy: 1.6688956844327372
Energy: 2.3091882310151086
Energy: 1.669373812704773
Energy: 2.3091882310151086
Energy: 1.6843928377882331
Energy: 2.2424598938216564
Energy: 1.6683002822581956
Energy: 2.242459893822413
Energy: 1.6843928377882331
Energy: 2.2424598938216564
Energy: 1.6853499167049613
Energy: 2.3613270023806825
Energy: 1.7344420280817918
Energy: 2.3613270023806825
Energy: 1.6853499167049613
Energy: 2.3613270023806825
Energy: 1.6697852098011925
Energy: 2.3127584285547305
Energy: 2.250958308304109
Energy: 2.3127584285539733
Energy: 1.6697852098011925
Energy: 2.3127584285539733
Energy: 1.6847723899763214
Energy: 2.2856077843125564
Energy: 2.3750084737156434
Energy: 2.2856077843125564
Energy: 1.6847723899778342
Energy: 2.2856077843125564
Energy: 1.6863613281638614
Energy: 2.275237426698052
Energy: 2.103932744906433
Energy: 2.2752374266972955
Energy: 1.6863613281638614
Energy: 2.2752374266972955
Energy: 1.7148155266113712
Energy: 2.2216324385668536
Energy: 1.7342819756044496
Energy: 2.2216324385668536
Energy: 1.7148155266106149
Energy: 2.2216324385668536
Energy: 1.6702480291683843
Energy: 1.6692329657593115
Energy: 1.9621443747336176
Energy: 1.669232965758555
Energy: 1.6702480291683843
Energy: 1.669232965760068
Energy: 1.7246766751200575
Energy: 2.271167026630104
Energy: 1.6685990033540747
Energy: 2.2711670266293478
Energy: 1.7246766751200575
Energy: 2.2711670266293478

minimum gb energy = 1.6681571268726154 eV
minimum distance =  2.40265206682021 Angstroms
sigma value = 57


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

Energy: 1.9049298000550645
Energy: 2.5763593159876335
Energy: 2.6531770227903873
Energy: 2.5763593159876335
Energy: 1.9049298000550645
Energy: 2.5763593159876335
Energy: 2.269236373230601
Energy: 1.8825142381362248
Energy: 1.7968888551228648
Energy: 1.8825142381362248
Energy: 2.2692363732315806
Energy: 1.8825142381362248
Energy: 1.8271288585816743
Energy: 2.5686613071360465
Energy: 1.8085191081069365
Energy: 2.5686613071360465
Energy: 1.8271288585816743
Energy: 2.5686613071360465
Energy: 1.851304177167348
Energy: 1.8115103955961787
Energy: 1.806750754673062
Energy: 1.8115103955951992
Energy: 1.851304177167348
Energy: 1.8115103955951992
Energy: 1.7966623696838895
Energy: 1.8569462552437082
Energy: 2.228010680469133
Energy: 1.8569462552437082
Energy: 1.7966623696838895
Energy: 1.8569462552437082
Energy: 1.8380996080493253
Energy: 2.5433916742585105
Energy: 1.7959546759126912
Energy: 2.5433916742585105
Energy: 1.8380996080493253
Energy: 2.5433916742575313
Energy: 1.808628668401741
Energy: 2.2160407220358143
Energy: 2.2680163751304674
Energy: 2.2160407220367935
Energy: 1.8086286684007615
Energy: 2.2160407220367935
Energy: 1.831184878837421
Energy: 2.516780454597347
Energy: 1.8976335923551844
Energy: 2.5167804545983268
Energy: 1.8311848788384004
Energy: 2.5167804545983268
Energy: 1.7970423014556043
Energy: 1.8842678135613682
Energy: 2.6599865389286084
Energy: 1.8842678135623476
Energy: 1.7970423014556043
Energy: 1.8842678135613682
Energy: 1.80853115685762
Energy: 2.5434941694105135
Energy: 1.7960647548538182
Energy: 2.5434941694095343
Energy: 1.80853115685762
Energy: 2.5434941694095343
Energy: 1.8087547029832067
Energy: 1.808385649896545
Energy: 1.808223613528657
Energy: 1.8083856498985038
Energy: 1.8087547029832067
Energy: 1.8083856498985038
Energy: 1.7969516665639864
Energy: 2.1915284235775876
Energy: 1.8062345153671713
Energy: 2.1915284235775876
Energy: 1.7969516665639864
Energy: 2.1915284235775876
Energy: 1.7970456230505907
Energy: 2.5437686883125963
Energy: 1.8821476907027896
Energy: 2.5437686883116175
Energy: 1.7970456230505907
Energy: 2.5437686883116175
Energy: 2.233517419691758
Energy: 2.211998617127306
Energy: 1.808783267248347
Energy: 2.2119986171282853
Energy: 2.233517419691758
Energy: 2.211998617127306
Energy: 2.6310713216083315
Energy: 2.519031443386138
Energy: 1.8093669010826592
Energy: 2.519031443386138
Energy: 2.6310713216073522
Energy: 2.519031443386138
Energy: 1.7972102396936336
Energy: 2.5877015001319608
Energy: 1.8063778426391595
Energy: 2.5877015001319608
Energy: 1.7972102396936336
Energy: 2.5877015001319608
Energy: 1.797244592368862
Energy: 2.1926659829841264
Energy: 1.809452168231655
Energy: 2.192665982983147
Energy: 1.7972445923698415
Energy: 2.192665982983147
Energy: 1.8081980558430248
Energy: 2.248821852910322
Energy: 1.8081850270823445
Energy: 2.248821852909343
Energy: 1.8081980558430248
Energy: 2.248821852910322
Energy: 1.8094387226919149
Energy: 2.1925814879744974
Energy: 1.7971934189943406
Energy: 2.1925814879744974
Energy: 1.8094387226928943
Energy: 2.1925814879744974
Energy: 1.8063354130390943
Energy: 2.589136864757939
Energy: 1.7973983965914546
Energy: 2.5891368647569597
Energy: 1.8063354130390943
Energy: 2.5891368647569597
Energy: 1.8092860472259122
Energy: 2.519030344008042
Energy: 2.631352341781088
Energy: 2.519030344008042
Energy: 1.8092860472259122
Energy: 2.519030344008042
Energy: 1.8088064928869716
Energy: 2.230816569272173
Energy: 2.233486138251189
Energy: 2.2308165692711937
Energy: 1.8088064928869716
Energy: 2.2308165692702144
Energy: 1.8402036671678998
Energy: 2.543725092865274
Energy: 1.7970445381023148
Energy: 2.543725092866253
Energy: 1.8402036671678998
Energy: 2.543725092865274
Energy: 1.7968866091731377
Energy: 2.1916230049400323
Energy: 1.7971685177725498
Energy: 2.1916230049390526
Energy: 1.7968866091731377
Energy: 2.1916230049390526

minimum gb energy = 1.7959546759126912 eV
minimum distance =  2.43637329115335 Angstroms
sigma value = 17


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

Energy: 1.9590230349191726
Energy: 1.9593807729127033
Energy: 2.9536247673288893
Energy: 1.9593807729127033
Energy: 1.9590230349177873
Energy: 1.9593807729127033
Energy: 1.9743667319472136
Energy: 1.962716233388909
Energy: 1.9620346845543104
Energy: 1.962716233388909
Energy: 1.9743667319472136
Energy: 1.962716233388909
Energy: 1.9913172277175477
Energy: 1.9922101445978875
Energy: 1.9945153486745761
Energy: 1.9922101445978875
Energy: 1.9913172277175477
Energy: 1.9922101445978875
Energy: 2.0410154614301863
Energy: 1.9619693230607653
Energy: 1.9611319227485338
Energy: 1.9619693230607653
Energy: 2.0410154614301863
Energy: 1.9619693230593802
Energy: 1.9617756121416934
Energy: 1.9628465203934875
Energy: 2.0189097395136124
Energy: 1.9628465203934875
Energy: 1.9617756121416934
Energy: 1.9628465203934875
Energy: 1.9900244125052766
Energy: 1.961163760715474
Energy: 1.9638877122169902
Energy: 1.961163760715474
Energy: 1.9900244125052766
Energy: 1.961163760715474
Energy: 1.9807408754549787
Energy: 2.1869446150493363
Energy: 1.936143552829791
Energy: 2.1869446150493363
Energy: 1.9807408754549787
Energy: 2.1869446150493363
Energy: 1.961561247801586
Energy: 2.2144244838861162
Energy: 1.9612600215755016
Energy: 2.2144244838861162
Energy: 1.961561247801586
Energy: 2.2144244838861162
Energy: 1.961856277036826
Energy: 1.9616312560314055
Energy: 2.16403372315184
Energy: 1.9616312560314055
Energy: 1.961856277036826
Energy: 1.9616312560314055
Energy: 1.9618688904982313
Energy: 1.9392293392682625
Energy: 1.9619294875677253
Energy: 1.9392293392696474
Energy: 1.9618688904982313
Energy: 1.9392293392696474
Energy: 1.9628260281957381
Energy: 2.470044018415743
Energy: 1.9617458654844047
Energy: 2.470044018415743
Energy: 1.9628260281957381
Energy: 2.470044018415743
Energy: 1.9614796283906426
Energy: 1.9902492807791405
Energy: 1.9857327477266824
Energy: 1.9902492807777552
Energy: 1.9614796283906426
Energy: 1.9902492807777552
Energy: 1.962066975018031
Energy: 2.2159968967551698
Energy: 1.9613036651470432
Energy: 2.2159968967551698
Energy: 1.9620669750194162
Energy: 2.2159968967551698
Energy: 1.989736937949003
Energy: 1.9613001413231992
Energy: 1.9643580996762295
Energy: 1.9613001413231992
Energy: 1.989736937949003
Energy: 1.9613001413231992
Energy: 1.9623243239961545
Energy: 2.4814806745573827
Energy: 1.9617769228229138
Energy: 2.4814806745559976
Energy: 1.9623243239947694
Energy: 2.4814806745573827
Energy: 1.983953335577561
Energy: 2.471509305510475
Energy: 1.9653639755324666
Energy: 2.4715093055519954
Energy: 1.983953335577561
Energy: 2.471509305478618
Energy: 1.961367622182851
Energy: 1.9616954642085305
Energy: 1.9612143559953705
Energy: 1.9616954642085305
Energy: 1.961367622182851
Energy: 1.9616954642085305

minimum gb energy = 1.936143552829791 eV
minimum distance =  2.47402000201421 Angstroms
sigma value = 17


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

Energy: 2.6978928297245512
Energy: 2.942883992575723
Energy: 2.9176140215769806
Energy: 2.942883992574118
Energy: 2.697892829725086
Energy: 2.942883992574118
Energy: 2.444299718773427
Energy: 2.0399017977137723
Energy: 2.0092171578753093
Energy: 2.0399017977132377
Energy: 2.444299718773427
Energy: 2.039901797712703
Energy: 2.000414617910066
Energy: 2.112934661574548
Energy: 2.4111253438452978
Energy: 2.112934661575618
Energy: 2.000414617909531
Energy: 2.112934661574548
Energy: 2.1043685999772364
Energy: 2.620935524005243
Energy: 2.1131077315210796
Energy: 2.620935524004708
Energy: 2.104368599976166
Energy: 2.6209355240068475
Energy: 2.00685046330925
Energy: 2.0943654000565
Energy: 2.46808844520903
Energy: 2.09436540005757
Energy: 2.0068504633081803
Energy: 2.0943654000581047
Energy: 2.123965142537297
Energy: 2.640384325118714
Energy: 2.1407205111489476
Energy: 2.640384325119783
Energy: 2.1239651425367625
Energy: 2.6403843251181787
Energy: 2.013294353535946
Energy: 2.124815734063692
Energy: 2.4078623969554873
Energy: 2.124815734062622
Energy: 2.0132943535348766
Energy: 2.124815734061552
Energy: 2.416254233772364
Energy: 2.319581059666805
Energy: 2.0074581353088106
Energy: 2.3195810596678745
Energy: 2.4162542337734334
Energy: 2.31958105966627
Energy: 2.1464612376045844
Energy: 2.620111299447103
Energy: 2.0356967393051266
Energy: 2.6201112994460334
Energy: 2.1464612376040493
Energy: 2.6201112994454987
Energy: 2.694175875565923
Energy: 2.0924137243581593
Energy: 2.01026274446926
Energy: 2.092413724355485
Energy: 2.694175875565923
Energy: 2.1011626830428853
Energy: 2.1170817190965976
Energy: 2.7683451725485964
Energy: 2.1074270998777465
Energy: 2.7683451725480617
Energy: 2.1170817190971327
Energy: 2.7683451725480617
Energy: 2.0403841876684017
Energy: 2.6278463752035517
Energy: 2.0005324203750905
Energy: 2.6278463752046215
Energy: 2.0403841876684017
Energy: 2.6278463752040864
Energy: 2.0139157536349344
Energy: 2.3219010738715706
Energy: 2.718010813141482
Energy: 2.3219010738715706
Energy: 2.013915753636004
Energy: 2.3219010738721058
Energy: 2.0804974633856483
Energy: 2.6068966378586227
Energy: 2.6661862675537713
Energy: 2.6068966378580876
Energy: 2.080497463386718
Energy: 2.6068966378580876
Energy: 2.040593642482481
Energy: 2.6833418360737697
Energy: 2.1071773090791486
Energy: 2.683341836076444
Energy: 2.0405936424819457
Energy: 2.6833418360753742
Energy: 2.1222879652756577
Energy: 2.7716290089829334
Energy: 2.000904178281844
Energy: 2.7716290089840028
Energy: 2.1222879652756577
Energy: 2.901168073917431
Energy: 2.128382798698449
Energy: 2.0155637490143348
Energy: 2.0977191833298336
Energy: 2.015563749016474
Energy: 2.128382798698449
Energy: 2.015563749016474
Energy: 2.65086503683049
Energy: 2.455773621040627
Energy: 2.0320224553927946
Energy: 2.455773621039557
Energy: 2.65086503683049
Energy: 2.4557736210433014
Energy: 2.6461185123511517
Energy: 2.5305614722657914
Energy: 2.00953811717388
Energy: 2.5305614722657914
Energy: 2.6461185123511517
Energy: 2.530561472266326
Energy: 2.0105657503948415
Energy: 2.95425654448719
Energy: 2.0102175208228434
Energy: 2.95425654448719
Energy: 2.0105657503953767
Energy: 2.5042197208307817
Energy: 2.0091520225488484
Energy: 2.5303491612999585
Energy: 2.5261813428404047
Energy: 2.5303491612999585
Energy: 2.0091520225477777
Energy: 2.5303491612999585
Energy: 2.032173284479976
Energy: 2.4560524151108836
Energy: 2.650676997970756
Energy: 2.456052415111954
Energy: 2.0321732844794407
Energy: 2.456052415111954
Energy: 2.0987168500863627
Energy: 2.0155276756754414
Energy: 2.1281430298571564
Energy: 2.0155276756770455
Energy: 2.0987168500868973
Energy: 2.0155276756770455
Energy: 2.00080645310811
Energy: 2.772371675836317
Energy: 2.1222781353952507
Energy: 2.7723716758379218
Energy: 2.0008064531059704
Energy: 2.772371675836852
Energy: 2.1075371052662955
Energy: 2.682632673824317
Energy: 2.0406125451993016
Energy: 2.6826326738248527
Energy: 2.1075371052657608
Energy: 2.682632673817899
Energy: 2.665926252570661
Energy: 2.606615359978863
Energy: 2.0620391277409595
Energy: 2.606615359977258
Energy: 2.6659262525701255
Energy: 2.6066153599767237
Energy: 2.7183481394944486
Energy: 2.3218890186013863
Energy: 2.013916297945678
Energy: 2.3218890186013863
Energy: 2.718348139492844
Energy: 2.3218890186013863
Energy: 2.0008880059298977
Energy: 2.6281427373361863
Energy: 2.040439255948815
Energy: 2.6281427373468347
Energy: 2.0008880059288274
Energy: 2.6281427373564625
Energy: 2.107471386444713
Energy: 2.7683611647570916
Energy: 2.116928150518499
Energy: 2.7683611647581614
Energy: 2.107471386444713
Energy: 2.7683611647581614
Energy: 2.0102819087783272
Energy: 2.0924137243560206
Energy: 2.6941517582501886
Energy: 2.092413724356555
Energy: 2.0102819087767223
Energy: 2.092413724356555
Energy: 2.0473071545420014
Energy: 2.6214832201142526
Energy: 2.146556231042685
Energy: 2.6214832201147877
Energy: 2.047307154543071
Energy: 2.621483220115323
Energy: 2.007456644640185
Energy: 2.3192105806850236
Energy: 2.4161060327604833
Energy: 2.3192105806855583
Energy: 2.007456644640185
Energy: 2.3192105806855583
Energy: 2.407943744425101
Energy: 2.1251716935897504
Energy: 2.013372266835351
Energy: 2.125171693589216
Energy: 2.407943744424031
Energy: 2.1251716935886806
Energy: 2.140834338140317
Energy: 2.6407101245765987
Energy: 2.123899308213394
Energy: 2.6407101245787388
Energy: 2.140834338140317
Energy: 2.640710124577669
Energy: 2.468059255189662
Energy: 2.0943654000586402
Energy: 2.010405047603369
Energy: 2.0943654000602443
Energy: 2.4680592551901968
Energy: 2.0943654000602443
Energy: 2.113336275077379
Energy: 2.620876240501702
Energy: 2.104386045924527
Energy: 2.620876240500098
Energy: 2.113336275077379
Energy: 2.6208762404990282
Energy: 2.411208453574287
Energy: 2.112632467778211
Energy: 2.000412219842322
Energy: 2.1126324677792803
Energy: 2.411208453575356
Energy: 2.1126324677787456
Energy: 2.009271095242589
Energy: 2.0404037454149493
Energy: 2.44431853428622
Energy: 2.0404037454165542
Energy: 2.009271095242054
Energy: 2.0404037454165542
Energy: 2.2825427572738834
Energy: 2.942883992573584
Energy: 2.697892829726691
Energy: 2.9428839925746537
Energy: 2.2825427567360532
Energy: 2.9428839925746537
Energy: 2.0092171578769134
Energy: 2.039901797712168
Energy: 2.4442997187739617
Energy: 2.039901797711098
Energy: 2.0092171578763787
Energy: 2.039901797711633
Energy: 2.411125343844228
Energy: 2.1129346615750833
Energy: 2.0004146179106
Energy: 2.112934661575618
Energy: 2.411125343845833
Energy: 2.112934661575618
Energy: 2.11310773151894
Energy: 2.620935524005243
Energy: 2.104368599976166
Energy: 2.6209355240057772
Energy: 2.11310773151894
Energy: 2.620935524005243
Energy: 2.468088445210634
Energy: 2.094365400059175
Energy: 2.00685046330925
Energy: 2.0943654000586402
Energy: 2.4680884452117042
Energy: 2.0943654000586402

minimum gb energy = 2.000412219842322 eV
minimum distance =  2.4356694108683 Angstroms
sigma value = 57


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

Energy: 2.457000174224041
Energy: 2.8601979841126535
Energy: 2.4513935024850486
Energy: 2.860197984107428
Energy: 2.45700017422317
Energy: 2.8601979841117826
Energy: 2.2666627372281387
Energy: 2.055178079857831
Energy: 2.0555603526977144
Energy: 2.055178079857831
Energy: 2.266662737229009
Energy: 2.0551780798587025
Energy: 2.0392543431777552
Energy: 2.39817859656392
Energy: 2.051247695506487
Energy: 2.39817859656392
Energy: 2.0392543431777552
Energy: 2.398178596564791
Energy: 2.1974352012804417
Energy: 2.1175640713323713
Energy: 2.4026073497398257
Energy: 2.117564071333242
Energy: 2.1974352012795713
Energy: 2.1175640713315
Energy: 1.9855431751900567
Energy: 2.109316115275995
Energy: 2.2462984239838772
Energy: 2.10931611527077
Energy: 1.9855431751900567
Energy: 2.109316115271641
Energy: 2.3958380218456443
Energy: 2.1156774163016334
Energy: 2.402196473637996
Energy: 2.1156774163025043
Energy: 2.395838021846515
Energy: 2.1156774163025043
Energy: 2.0402395081791656
Energy: 2.127814890738464
Energy: 2.0527629230335567
Energy: 2.1278148907375933
Energy: 2.0402395081782947
Energy: 2.1278148907375933
Energy: 2.6165915042597994
Energy: 2.1216501876738034
Energy: 2.055296042143916
Energy: 2.1216501876746743
Energy: 2.6165915042597994
Energy: 2.1216501876746743
Energy: 2.187646948828138
Energy: 2.596287715785779
Energy: 2.0543492854585366
Energy: 2.59628771578665
Energy: 2.187646948828138
Energy: 2.59628771578665
Energy: 2.399918201266561
Energy: 2.0550982565046185
Energy: 2.0626992411663285
Energy: 2.0550982565046185
Energy: 2.399918201266561
Energy: 2.0550982565037477
Energy: 2.040605691508176
Energy: 2.7089160520078543
Energy: 2.390925769354066
Energy: 2.708916051991308
Energy: 2.0406056915098385
Energy: 2.7089160520017583
Energy: 2.155763749563452
Energy: 2.114569121764645
Energy: 2.3896148247673414
Energy: 2.1145691217681284
Energy: 2.155763749564323
Energy: 2.1145691217681284
Energy: 1.9858139402728971
Energy: 2.485134290074545
Energy: 2.3915595504679463
Energy: 2.485134290073674
Energy: 1.9858139402728971
Energy: 2.485134290073674
Energy: 2.3957644374438973
Energy: 2.504917678533617
Energy: 2.3896341368982186
Energy: 2.5049176785327463
Energy: 2.3957644374438973
Energy: 2.504917678531005
Energy: 2.037464412705247
Energy: 2.129927420924934
Energy: 2.051299520101591
Energy: 2.1299274209275465
Energy: 2.037464412703504
Energy: 2.129927420929288
Energy: 2.444449776786583
Energy: 2.549806014484555
Energy: 2.0614339973693974
Energy: 2.54980601448891
Energy: 2.4444497767857123
Energy: 2.54980601448891
Energy: 2.45638896003808
Energy: 2.1242245403510873
Energy: 2.0795242927403828
Energy: 2.1242245403476034
Energy: 2.45638896003808
Energy: 2.12422454034412
Energy: 2.3954833814470877
Energy: 2.479930035561294
Energy: 2.0537777827434653
Energy: 2.4799300355586813
Energy: 2.3954833814488294
Energy: 2.479930035559552
Energy: 2.0374753495284015
Energy: 2.7649975078046825
Energy: 2.3898400786307605
Energy: 2.7649975078046825
Energy: 2.0374753495284015
Energy: 2.7649975078055533
Energy: 2.1303094025190816
Energy: 2.1329242787666773
Energy: 2.398856436494035
Energy: 2.1329242787614517
Energy: 2.1303094025190816
Energy: 2.1329242787640648
Energy: 1.9844641000591217
Energy: 2.481573428422781
Energy: 2.3900055182210735
Energy: 2.48157342842191
Energy: 1.9844641000591217
Energy: 2.4815734284236517
Energy: 2.0389960884291845
Energy: 2.462397927146874
Energy: 2.3972979662170415
Energy: 2.4623979271460033
Energy: 2.038996088428314
Energy: 2.4623979271460033
Energy: 2.03811275860175
Energy: 2.135096217018911
Energy: 2.057193802697149
Energy: 2.135096217020653
Energy: 2.03811275860175
Energy: 2.1350962170258785
Energy: 2.2125472065170935
Energy: 2.9281904588758527
Energy: 2.0538780746491265
Energy: 2.92819045887324
Energy: 2.2125472065170935
Energy: 2.92819045887324
Energy: 2.181180992008134
Energy: 2.6047137815608674
Energy: 2.0539804733707316
Energy: 2.6047137815591257
Energy: 2.1811809920098755
Energy: 2.604713781557384
Energy: 2.038891078596427
Energy: 2.1351789440531532
Energy: 2.061706752339164
Energy: 2.1351789440566367
Energy: 2.0388910785972985
Energy: 2.135178944055766
Energy: 2.037821557452664
Energy: 2.7615209584822398
Energy: 2.392071431420079
Energy: 2.761520958481369
Energy: 2.0378215574517933
Energy: 2.7615209584804976

minimum gb energy = 1.9844641000591217 eV
minimum distance =  2.40460868320242 Angstroms
sigma value = 43


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

Energy: 2.2539999903460815
Energy: 2.8102686296670147
Energy: 2.2813141173741687
Energy: 2.8102686296682844
Energy: 2.2539999903460815
Energy: 2.8102686296689185
Energy: 2.2075944055232832
Energy: 2.0828436469833416
Energy: 2.0513686175063084
Energy: 2.0828436469833416
Energy: 2.207594405523918
Energy: 2.0828436469839757
Energy: 2.0495168059550934
Energy: 2.2214575563693892
Energy: 2.613354509115354
Energy: 2.2214575563693892
Energy: 2.0495168059557276
Energy: 2.221457556368755
Energy: 2.361466215530414
Energy: 2.7661271112515466
Energy: 2.199371060787797
Energy: 2.7661271112528154
Energy: 2.3614662155310486
Energy: 2.7661271112528154
Energy: 2.051997552822561
Energy: 2.1653480928472377
Energy: 2.269222792780786
Energy: 2.1653480928472377
Energy: 2.051997552821926
Energy: 2.165348092846603
Energy: 2.1866255962878918
Energy: 2.188167261434292
Energy: 2.056217630152173
Energy: 2.188167261434292
Energy: 2.1866255962257077
Energy: 2.1881672614349266
Energy: 2.0597255467775817
Energy: 2.187453599536448
Energy: 2.0874560151052006
Energy: 2.1874535995370827
Energy: 2.059725546776947
Energy: 2.1874535995370827
Energy: 2.3205872673315278
Energy: 2.16365702130343
Energy: 2.0527082679554143
Energy: 2.16365702130343
Energy: 2.3205872673315278
Energy: 2.16365702130343
Energy: 2.202910795244307
Energy: 2.7663453118115404
Energy: 2.2430652249560272
Energy: 2.7663453118115404
Energy: 2.2029107952449416
Energy: 2.7663453118115404
Energy: 2.424496418849953
Energy: 2.2269156675959247
Energy: 2.049510419723946
Energy: 2.2269156675959247
Energy: 2.424496418852491
Energy: 2.2269156675959247
Energy: 2.0540019226177146
Energy: 2.130359430843114
Energy: 2.6018385224380705
Energy: 2.13035943084248
Energy: 2.0540019226177146
Energy: 2.130359430843114
Energy: 2.0859724403526587
Energy: 2.635029148711096
Energy: 2.254943378394344
Energy: 2.6350291487091924
Energy: 2.0859724403532933
Energy: 2.635029148711096
Energy: 2.049729215955627
Energy: 2.0849890972341028
Energy: 2.2428448383579584
Energy: 2.0849890972341028
Energy: 2.049729215956262
Energy: 2.0849890972341028
Energy: 2.1998164449648145
Energy: 2.423848170170351
Energy: 2.0495552535325774
Energy: 2.423848170170351
Energy: 2.1998164449641795
Energy: 2.423848170170351
Energy: 2.198386773441147
Energy: 2.6247149235345484
Energy: 2.0858743482489333
Energy: 2.624714923533914
Energy: 2.198386773441147
Energy: 2.624714923533914
Energy: 2.1851749382995833
Energy: 2.2250425995285474
Energy: 2.051107022355987
Energy: 2.2250425995298166
Energy: 2.1851749382995833
Energy: 2.2250425995298166
Energy: 2.0549436034255
Energy: 2.4537884470162865
Energy: 2.1832865353203568
Energy: 2.453788447015652
Energy: 2.0549436034255
Energy: 2.453788447015652
Energy: 2.0889879395342317
Energy: 2.1915238894793734
Energy: 2.054854917283971
Energy: 2.1915238894787388
Energy: 2.088987939532963
Energy: 2.1915238894787388
Energy: 2.0838332017245964
Energy: 2.084315610880042
Energy: 2.199701284367393
Energy: 2.0843156108844836
Energy: 2.0838332017239614
Energy: 2.0843156108832144
Energy: 2.0502298728352217
Energy: 2.5633167891582143
Energy: 2.1988364257381914
Energy: 2.563316789154406
Energy: 2.0502298728352217
Energy: 2.563316789157579
Energy: 2.049761410840758
Energy: 2.21721371455904
Energy: 2.0846198771781608
Energy: 2.2172137145628477
Energy: 2.049761410840758
Energy: 2.217213714560944
Energy: 2.8950821781641887
Energy: 2.430445548527172
Energy: 2.0497757617975263
Energy: 2.4304455485259027
Energy: 2.895082178165458
Energy: 2.4304455485259027
Energy: 2.8970562506319486
Energy: 2.55342063902681
Energy: 2.085219948724032
Energy: 2.5534206390280794
Energy: 2.8970562506325837
Energy: 2.5534206390280794
Energy: 2.049989564625412
Energy: 2.2418048946763958
Energy: 2.08280326735129
Energy: 2.2418048946808375
Energy: 2.049989564625412
Energy: 2.2418048946763958
Energy: 2.049668916788426
Energy: 2.6033990594409526
Energy: 2.199077620257665
Energy: 2.6033990594415872
Energy: 2.0496689167877915
Energy: 2.6033990594415872
Energy: 2.0840828917316214
Energy: 2.3649488485875954
Energy: 2.1988448143704455
Energy: 2.364948848589499
Energy: 2.0840828917316214
Energy: 2.3649488485901338
Energy: 2.0842685013504827
Energy: 2.226647143921299
Energy: 2.1883005740246544
Energy: 2.226647143911781
Energy: 2.0842685013498485
Energy: 2.2266471439992888
Energy: 2.1882897894772255
Energy: 2.929270690020065
Energy: 2.1870646036529795
Energy: 2.929270690020065
Energy: 2.188289789476591
Energy: 2.929270690020065
Energy: 2.1880582205866603
Energy: 2.2319099380926715
Energy: 2.063537319922439
Energy: 2.231909938090768
Energy: 2.188058220586026
Energy: 2.2319099380926715
Energy: 2.1987234005694694
Energy: 2.3647518001811383
Energy: 2.0842220087322882
Energy: 2.3647518001811383
Energy: 2.198723400570104
Energy: 2.3647518001805037
Energy: 2.1990652909895148
Energy: 2.6035208085317803
Energy: 2.0496815654933473
Energy: 2.6035208085317803
Energy: 2.1990652909895148
Energy: 2.6035208085317803
Energy: 2.083028395756985
Energy: 2.2419396771365157
Energy: 2.049999236200639
Energy: 2.2419396771352464
Energy: 2.083028395756985
Energy: 2.241939677135881
Energy: 2.0846796317923495
Energy: 2.55343842769987
Energy: 2.5684594977382034
Energy: 2.5534384276986013
Energy: 2.0846796317923495
Energy: 2.5534384276986013
Energy: 2.049849724799325
Energy: 2.4302103690726344
Energy: 2.895129496718441
Energy: 2.430210369073269
Energy: 2.0498497247999596
Energy: 2.4302103690739036
Energy: 2.0843610687334992
Energy: 2.2167522629807226
Energy: 2.049657720638163
Energy: 2.2167522629794534
Energy: 2.0843610687334992
Energy: 2.2167522629794534
Energy: 2.1985970750268966
Energy: 2.5630932584965476
Energy: 2.0501623658187462
Energy: 2.563093258495913
Energy: 2.198597075026262
Energy: 2.5630932584978163

minimum gb energy = 2.049510419723946 eV
minimum distance =  2.32151940170738 Angstroms
sigma value = 81


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

Energy: 2.086438572343777
Energy: 2.0865532415549786
Energy: 3.530739475425475
Energy: 2.0865532415549786
Energy: 2.086438572343777
Energy: 2.086553241555694
Energy: 2.086594847339344
Energy: 2.0868652675993613
Energy: 2.0864601524016524
Energy: 2.0868652676002886
Energy: 2.0865948473395823
Energy: 2.0868652676000763
Energy: 2.0864539704547966
Energy: 2.08688057213105
Energy: 2.086612506674502
Energy: 2.086880572131527
Energy: 2.086453970454558
Energy: 2.0868805721322157
Energy: 3.5307394754250248
Energy: 2.0865532415559063
Energy: 2.086438572343538
Energy: 2.0865532415549786
Energy: 3.5307394754250248
Energy: 2.0865532415549786
Energy: 2.0864601524018904
Energy: 2.0868652675996
Energy: 2.0865948473400326
Energy: 2.0868652675998383
Energy: 2.0864601524018904
Energy: 2.0868652675998383
Energy: 2.0866125066728856
Energy: 2.086880572132454
Energy: 2.086453970454558
Energy: 2.0868805721317654
Energy: 2.086612506673575
Energy: 2.086880572131527
Energy: 2.086438572343538
Energy: 2.0865532415545283
Energy: 3.530739475425475
Energy: 2.0865532415549786
Energy: 2.086438572343777
Energy: 2.0865532415554555
Energy: 2.0865948473395823
Energy: 2.0868652675998383
Energy: 2.0864601524016524
Energy: 2.0868652675996
Energy: 2.086594847340271
Energy: 2.0868652676000763
Energy: 2.086453970454558
Energy: 2.0868805721322157
Energy: 2.0866125066738133
Energy: 2.086880572131527
Energy: 2.086453970454558
Energy: 2.0868805721322157
Energy: 3.5307394754250248
Energy: 2.0865532415552175
Energy: 2.086438572343538
Energy: 2.0865532415554555
Energy: 3.5307394754250248
Energy: 2.086553241555694

minimum gb energy = 2.086438572343538 eV
minimum distance =  2.50003810188348 Angstroms
sigma value = 3


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

Energy: 2.712683374946361
Energy: 2.687600799030101
Energy: 3.2227846983330024
Energy: 2.687600799022458
Energy: 2.712683374946361
Energy: 2.687600799023156
Energy: 2.644344703101773
Energy: 2.131223539302854
Energy: 2.0353358942824555
Energy: 2.131223539299365
Energy: 2.644344703101773
Energy: 2.131223539299365
Energy: 2.072612359503222
Energy: 2.0709416929064277
Energy: 2.554985953849563
Energy: 2.070941692910614
Energy: 2.072612359503222
Energy: 2.0709416929099165
Energy: 2.8609703262850763
Energy: 2.668586293562548
Energy: 2.1315872648387226
Energy: 2.6685862935653386
Energy: 2.8609703262843786
Energy: 2.6685862935660363
Energy: 2.1022163164517798
Energy: 2.1019443732232754
Energy: 2.713881229849858
Energy: 2.1019443732197876
Energy: 2.1022163164517798
Energy: 2.1019443732204848
Energy: 2.3803713644467273
Energy: 2.1675194635773796
Energy: 2.037949890564811
Energy: 2.1675194635808683
Energy: 2.3803713644467273
Energy: 2.1675194635801707
Energy: 2.1019608862446386
Energy: 2.103660286265018
Energy: 2.4211835145771334
Energy: 2.1036602862685068
Energy: 2.1019608862446386
Energy: 2.1036602862671114
Energy: 2.119338359393002
Energy: 2.6684479446549623
Energy: 2.1300975261772663
Energy: 2.668447944654265
Energy: 2.119338359393002
Energy: 2.668447944654265
Energy: 2.075944338463987
Energy: 2.4994123624406384
Energy: 2.6839896371412877
Energy: 2.4994123624427314
Energy: 2.075944338463987
Energy: 2.4994123624427314
Energy: 2.076023251506722
Energy: 2.130087446525649
Energy: 2.037940547291831
Energy: 2.1300874465284396
Energy: 2.076023251506722
Energy: 2.1300874465284396
Energy: 2.6923131671417444
Energy: 2.6145772449141904
Energy: 2.1436000900655086
Energy: 2.6145772449176787
Energy: 2.6923131671417444
Energy: 2.6145772449176787
Energy: 2.697767492742733
Energy: 2.444610524690968
Energy: 2.039493370693076
Energy: 2.444610524690302
Energy: 2.6977674927434308
Energy: 2.444610524690302
Energy: 2.076643675513408
Energy: 2.2276007090965586
Energy: 2.0391617409176455
Energy: 2.2276007091014423
Energy: 2.076643675513408
Energy: 2.22760070910214
Energy: 2.0763952780277326
Energy: 2.5529157518375674
Energy: 2.142276159497791
Energy: 2.5529157518382646
Energy: 2.0763952780284307
Energy: 2.5529157518382646
Energy: 2.1186523454650072
Energy: 2.469446423320258
Energy: 2.1501452460946493
Energy: 2.469446423321653
Energy: 2.1186523454650072
Energy: 2.469446423321653
Energy: 2.118373003244682
Energy: 2.130549504036674
Energy: 2.037401989809781
Energy: 2.1305495040331857
Energy: 2.118373003245379
Energy: 2.1305495040310927
Energy: 2.118234167589855
Energy: 2.133231543134895
Energy: 2.0374855803640393
Energy: 2.133231543134197
Energy: 2.118234167589855
Energy: 2.133231543136988
Energy: 2.1185026862564267
Energy: 2.311287532410876
Energy: 2.1502373657228544
Energy: 2.3112875324115736
Energy: 2.118502686257124
Energy: 2.3112875324115736
Energy: 2.075884482312326
Energy: 2.5535898907787664
Energy: 2.1500653673156718
Energy: 2.5535898907801617
Energy: 2.075884482312326
Energy: 2.5535898907801617
Energy: 2.0754474233462954
Energy: 2.131258938247884
Energy: 2.039444910183548
Energy: 2.131258938247884
Energy: 2.0754474233462954
Energy: 2.1312589382485823
Energy: 2.697425221407839
Energy: 2.4446538682446013
Energy: 2.039555174526278
Energy: 2.4446538682404153
Energy: 2.6974252214092345
Energy: 2.4446538682383223
Energy: 2.6938074027716454
Energy: 2.036983991324912
Energy: 2.143032001937
Energy: 2.036983991321456
Energy: 2.6938074027716454
Energy: 2.0369839913235483
Energy: 2.075918659917644
Energy: 2.130102143335055
Energy: 2.0398380114455046
Energy: 2.1301021433336595
Energy: 2.075918659917644
Energy: 2.1301021433336595
Energy: 2.0761063733736225
Energy: 2.5023460630754646
Energy: 2.682981186782524
Energy: 2.502346063074767
Energy: 2.0761063733729244
Energy: 2.502346063074767
Energy: 2.1186653731064906
Energy: 2.3112575682588843
Energy: 2.1425983755522338
Energy: 2.3112575682609773
Energy: 2.118665373107188
Energy: 2.31125756826028
Energy: 2.1021302575951974
Energy: 2.7563615824141228
Energy: 2.1724750520967957
Energy: 2.7563615824120293
Energy: 2.1021302575945002
Energy: 2.7563615824120293
Energy: 2.118606180770812
Energy: 2.5832967750668283
Energy: 2.039008947851497
Energy: 2.583296775066131
Energy: 2.118606180770812
Energy: 2.5832967750668283
Energy: 2.1021285356137525
Energy: 2.4710498230528377
Energy: 2.6839857212147824
Energy: 2.471049823045861
Energy: 2.1021285356137525
Energy: 2.471049823045861
Energy: 2.2298705509762686
Energy: 2.553256259085697
Energy: 2.1310860189799614
Energy: 2.553256259082907
Energy: 2.229870550975571
Energy: 2.5532562590808134
Energy: 2.072346330422853
Energy: 2.069932858840805
Energy: 2.368538093915118
Energy: 2.069932858841503
Energy: 2.0723463304221554
Energy: 2.069932858841503
Energy: 2.644602971904753
Energy: 2.1320461824366683
Energy: 2.0371716188623887
Energy: 2.132046182435273
Energy: 2.6446029719040554
Energy: 2.1320461824345753
Energy: 2.714313386841865
Energy: 2.687295112100791
Energy: 2.144464516805558
Energy: 2.6872951121042794
Energy: 2.714313386841865
Energy: 2.6872951121042794
Energy: 2.6443400936734274
Energy: 2.131071165534644
Energy: 2.0342466785296676
Energy: 2.131071165536737
Energy: 2.6443400936734274
Energy: 2.1310711655374353

minimum gb energy = 2.0342466785296676 eV
minimum distance =  2.43583210779996 Angstroms
sigma value = 67


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

Energy: 2.308627111922465
Energy: 2.5340363920567803
Energy: 3.058075505798125
Energy: 2.534036392057774
Energy: 2.308627111922465
Energy: 2.5340363920567803
Energy: 2.709210148552823
Energy: 2.240887932994902
Energy: 2.040295601400387
Energy: 2.24088793299192
Energy: 2.7092101485518287
Energy: 2.24088793299192
Energy: 2.0445406564262956
Energy: 2.1448124325565994
Energy: 2.39185088376948
Energy: 2.144812432560576
Energy: 2.0445406564262956
Energy: 2.144812432559582
Energy: 2.6427178084391283
Energy: 2.5195310254697643
Energy: 2.2336104215608983
Energy: 2.5195310254677765
Energy: 2.6427178084401226
Energy: 2.5195310254677765
Energy: 2.2400580160140384
Energy: 2.9541790972150697
Energy: 2.8510178935060133
Energy: 2.954179097218052
Energy: 2.2400580160140384
Energy: 2.954179097218052
Energy: 2.2367530033619856
Energy: 2.422798916404055
Energy: 2.0239467305286967
Energy: 2.4227989164070376
Energy: 2.2367530033619856
Energy: 2.4227989164070376
Energy: 2.243201908076066
Energy: 2.2401155770623653
Energy: 2.049439790154055
Energy: 2.24011557706336
Energy: 2.243201908076066
Energy: 2.24011557706336
Energy: 2.251224642615245
Energy: 2.7385878613879004
Energy: 2.741886275434574
Energy: 2.738587861389888
Energy: 2.251224642614251
Energy: 2.7385878613888948
Energy: 2.2482424717847995
Energy: 2.246440392264165
Energy: 2.736670511947635
Energy: 2.2464403922631706
Energy: 2.2482424717847995
Energy: 2.246440392264165
Energy: 2.2510653719653857
Energy: 2.2421476887439376
Energy: 2.0416503991869512
Energy: 2.242147688780675
Energy: 2.2510653719653857
Energy: 2.242147688715108
Energy: 2.237595545092009
Energy: 2.6494484160207685
Energy: 2.048589799472277
Energy: 2.6494484160207685
Energy: 2.237595545092009
Energy: 2.649448416019774
Energy: 2.2391267536068935
Energy: 2.4491904624102867
Energy: 2.237839106346323
Energy: 2.449190462408298
Energy: 2.2391267536068935
Energy: 2.4491904624073038
Energy: 2.0520876066101397
Energy: 2.0436938196655414
Energy: 2.234748828791872
Energy: 2.0436938196655414
Energy: 2.0520876066091454
Energy: 2.0436938196655414
Energy: 2.047870521472502
Energy: 2.339975745038845
Energy: 2.251406913202884
Energy: 2.339975745040833
Energy: 2.047870521472502
Energy: 2.339975745039839
Energy: 2.8154233484934816
Energy: 2.61418445454885
Energy: 2.244895185528242
Energy: 2.6141844545478556
Energy: 2.8154233484904996
Energy: 2.6141844545478556
Energy: 2.982057567704355
Energy: 2.6289384172630323
Energy: 2.250462366830932
Energy: 2.6289384172660153
Energy: 2.982057567705349
Energy: 2.628938417265021
Energy: 2.0532385660749135
Energy: 2.240576035975947
Energy: 2.0310422887108577
Energy: 2.240576035975947
Energy: 2.0532385660759074
Energy: 2.240576035974953
Energy: 2.0279977108049754
Energy: 2.6056259293347837
Energy: 2.2370887310131518
Energy: 2.605625929339755
Energy: 2.0279977108049754
Energy: 2.6056259293387605
Energy: 2.4911040719750273
Energy: 2.9582623249262205
Energy: 2.2364529160922024
Energy: 2.9582623249252267
Energy: 2.491104071960115
Energy: 2.9582623249252267
Energy: 2.233730180503201
Energy: 2.601529194195384
Energy: 2.6322388279362983
Energy: 2.6015291941983665
Energy: 2.233730180503201
Energy: 2.601529194197372
Energy: 2.583492484306068
Energy: 2.283767906366002
Energy: 2.015434938037097
Energy: 2.2837679063669962
Energy: 2.583492484306068
Energy: 2.2837679063679905
Energy: 2.0462169570190136
Energy: 2.238274962629178
Energy: 2.7314195725495227
Energy: 2.2382749626281835
Energy: 2.0462169570190136
Energy: 2.2382749626281835
Energy: 2.704903803601854
Energy: 2.79421167391624
Energy: 2.0751106199822673
Energy: 2.794211673917234
Energy: 2.704903803601854
Energy: 2.79421167391624

minimum gb energy = 2.015434938037097 eV
minimum distance =  2.38966370948781 Angstroms
sigma value = 33


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

Energy: 2.457963703336582
Energy: 2.886924171940602
Energy: 3.0100452849679327
Energy: 2.886924171940602
Energy: 2.457963703337213
Energy: 2.886924171941233
Energy: 2.9397977264244886
Energy: 2.4163598127328814
Energy: 1.959302603226898
Energy: 2.4163598127328814
Energy: 2.9397977264263804
Energy: 2.416359812733512
Energy: 1.9644855213461607
Energy: 2.0685896790671503
Energy: 2.6452292522961294
Energy: 2.0685896790684115
Energy: 1.9644855213467916
Energy: 2.0685896790671503
Energy: 2.061819320675941
Energy: 2.38234726248596
Energy: 1.9787667059829934
Energy: 2.38234726248596
Energy: 2.0618193206753106
Energy: 2.38234726248596
Energy: 2.41361921160832
Energy: 2.509363423859789
Energy: 2.382880182343427
Energy: 2.509363423861681
Energy: 2.41361921160832
Energy: 2.509363423861681
Energy: 2.409809521661086
Energy: 2.4368200114094116
Energy: 1.967072082284915
Energy: 2.4368200114100427
Energy: 2.409809521660455
Energy: 2.4368200114094116
Energy: 1.963490284114377
Energy: 1.9858387978705003
Energy: 1.9872243769452662
Energy: 1.9858387978698695
Energy: 1.963490284114377
Energy: 1.985838797871131
Energy: 1.9898680901623214
Energy: 1.9590430201944746
Energy: 2.4157816516361574
Energy: 1.9590430202020426
Energy: 1.9898680901623214
Energy: 1.9590430201944746
Energy: 2.3833083059920184
Energy: 2.3033947475663106
Energy: 2.4193912328298697
Energy: 2.3033947475656795
Energy: 2.3833083059920184
Energy: 2.3033947475656795
Energy: 1.9877749173219206
Energy: 2.3553981405272264
Energy: 1.9636497597098748
Energy: 2.3553981405310105
Energy: 1.9877749173219206
Energy: 2.2805805410358113
Energy: 1.9641640383881205
Energy: 2.574446861781479
Energy: 1.9868015260484333
Energy: 2.5744468617821097
Energy: 1.9641640383881205
Energy: 2.5744468617821097
Energy: 1.9671629747845614
Energy: 2.1016420855216364
Energy: 2.8658489993043497
Energy: 2.1016420855216364
Energy: 1.9671629747845614
Energy: 2.1016420855216364
Energy: 2.399795392809705
Energy: 2.526494654292597
Energy: 2.467806037785546
Energy: 2.5264946542919664
Energy: 2.3997953928084437
Energy: 2.526494654292597
Energy: 1.9594097197728904
Energy: 2.41859217863054
Energy: 1.9738002161237551
Energy: 2.418592178628017
Energy: 1.9594097197735207
Energy: 2.4185921786299094
Energy: 2.449679168185681
Energy: 2.0681102028138216
Energy: 1.9620776362081185
Energy: 2.0681102028125604
Energy: 2.449679168185681
Energy: 2.0681102028131915
Energy: 1.978904426345482
Energy: 2.3866357701150185
Energy: 2.80355296745864
Energy: 2.3866357701156495
Energy: 1.978904426345482
Energy: 2.3866357701156495
Energy: 2.9190195631260303
Energy: 2.8788240196520105
Energy: 2.4124634189453924
Energy: 2.878824019653272
Energy: 2.9190195631266613
Energy: 2.878824019653272
Energy: 1.9609797034656367
Energy: 1.9846701321461624
Energy: 2.633546989028315
Energy: 1.9846701321449012
Energy: 1.9609797034656367
Energy: 1.9846701321455318
Energy: 2.1820537670138402
Energy: 1.9844708309875811
Energy: 1.9690794429070924
Energy: 1.9844708309875811
Energy: 2.1820537670138402
Energy: 1.9844708309882118
Energy: 2.416028241525324
Energy: 2.508508148463141
Energy: 1.9943770787704929
Energy: 2.508508148464402
Energy: 2.416028241525324
Energy: 2.508508148464402
Energy: 2.801395511305749
Energy: 2.2740425399447535
Energy: 1.9838113997161992
Energy: 2.2740425399447535
Energy: 2.801395511305749
Energy: 2.2740425399447535
Energy: 1.9617519477769674
Energy: 2.3743430692690093
Energy: 2.3829838656972795
Energy: 2.3743430692696395
Energy: 1.9617519477775984
Energy: 2.3743430692702705
Energy: 1.9908391160302186
Energy: 2.574368943584574
Energy: 1.9649908085995205
Energy: 2.5743689435833126
Energy: 1.9908391160295884
Energy: 2.5743689435833126
Energy: 2.4672098317782103
Energy: 1.9642785874044069
Energy: 1.969047395800888
Energy: 1.9642785874031456
Energy: 2.4672098317775792
Energy: 1.9642785874031456
Energy: 2.871875523444711
Energy: 2.1807314207313118
Energy: 1.9641207600888602
Energy: 2.1807314207344644
Energy: 2.871875523444711
Energy: 2.1807314207306807
Energy: 1.9896816856908144
Energy: 2.5740249681365417
Energy: 1.9671541504892067
Energy: 2.5740249681365417
Energy: 1.9896816856914452
Energy: 2.5740249681365417
Energy: 1.9614617917436448
Energy: 1.9858091706563248
Energy: 2.3832982739903477
Energy: 1.9858091706582166
Energy: 1.9614617917436448
Energy: 1.9858091706575862
Energy: 2.4096351088352357
Energy: 2.2830336837993634
Energy: 1.988084378038001
Energy: 2.283033683798733
Energy: 2.409635108835866
Energy: 2.283033683798733
Energy: 2.4137155283465965
Energy: 2.5139307789328567
Energy: 1.9945713278013306
Energy: 2.5139307789334873
Energy: 2.413715528347227
Energy: 2.5139307789334873
Energy: 1.9849362448099817
Energy: 1.999287498878752
Energy: 1.9611776344051914
Energy: 1.9992874988781215
Energy: 1.9849362448106125
Energy: 1.9992874988781215
Energy: 1.9636016212875569
Energy: 2.2838801848768546
Energy: 2.801037401386763
Energy: 2.2838801848762236
Energy: 1.9636016212875569
Energy: 2.2838801848762236
Energy: 2.3830748748457387
Energy: 2.88172332949417
Energy: 2.415725100643177
Energy: 2.881723329495431
Energy: 2.3830748748457387
Energy: 2.881723329495431
Energy: 1.9789969859977572
Energy: 2.3854698169581594
Energy: 2.6324123418988767
Energy: 2.3854698169594206
Energy: 1.9789969859977572
Energy: 2.3854698169594206
Energy: 2.7045341751095227
Energy: 2.069179696811421
Energy: 1.9605427633169343
Energy: 2.06917969681016
Energy: 2.7045341751088916
Energy: 2.06917969681079
Energy: 1.960272774425739
Energy: 2.4168782480266997
Energy: 2.5943394188369893
Energy: 2.4168782480260695
Energy: 1.960272774425739
Energy: 2.4168782480260695
Energy: 2.399903128242822
Energy: 2.526206914825596
Energy: 2.4619503594058076
Energy: 2.5262069148262265
Energy: 2.399903128242822
Energy: 2.5262069148262265
Energy: 1.9655556793226923
Energy: 2.6457247441181218
Energy: 2.8720573907880578
Energy: 2.6457247441162295
Energy: 1.9655556793226923
Energy: 2.6457247441162295

minimum gb energy = 1.9590430201944746 eV
minimum distance =  2.37628456709298 Angstroms
sigma value = 41


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

Energy: 1.7764440578551817
Energy: 1.7241047150250621
Energy: 2.9566879346026433
Energy: 1.724104715021618
Energy: 1.7764440578551817
Energy: 1.724104715021618
Energy: 2.729801880222378
Energy: 1.6991227931512622
Energy: 1.698578082438568
Energy: 1.6991227931478188
Energy: 2.7298018802241
Energy: 1.6991227931478188
Energy: 1.7737279106059995
Energy: 1.9642700752738878
Energy: 1.6989863571542028
Energy: 1.9642700752756097
Energy: 1.7737279106059995
Energy: 1.9642700752756097
Energy: 2.7315258347611766
Energy: 1.69969057659573
Energy: 1.6987377093485958
Energy: 1.6996905766008954
Energy: 2.731525834759455
Energy: 1.6996905766026174
Energy: 1.772771036354908
Energy: 2.38124242430418
Energy: 1.699357078105444
Energy: 2.381242424300736
Energy: 1.77277103635663
Energy: 2.381242424300736
Energy: 1.7730364705178527
Energy: 1.7988931840779112
Energy: 1.6988364183953601
Energy: 1.7988931840796334
Energy: 1.7730364705178527
Energy: 1.7988931840796334
Energy: 2.7332825533721046
Energy: 1.6999995459269193
Energy: 1.6988753877058225
Energy: 1.6999995459269193
Energy: 2.733282553373826
Energy: 1.6999995459269193
Energy: 1.7735209858222027
Energy: 1.7000020809688359
Energy: 1.7001520624471034
Energy: 1.7000020829274196
Energy: 1.7735209858222027
Energy: 1.7000020809946248
Energy: 2.693057576541503
Energy: 1.802171272542956
Energy: 1.6986500439842176
Energy: 1.8021712725446777
Energy: 2.693057576541503
Energy: 1.8021712725446777
Energy: 1.7653760395947007
Energy: 2.3757142765730808
Energy: 1.7061207687872662
Energy: 2.3757142765730808
Energy: 1.7653760395947007
Energy: 2.3757142765730808
Energy: 2.6719361006233324
Energy: 1.700063508008007
Energy: 1.7053745910114073
Energy: 1.700063508008007
Energy: 2.6719361006250546
Energy: 1.7000635080097288
Energy: 1.7644982186172022
Energy: 1.9694434646608037
Energy: 2.7233289417893043
Energy: 1.9694434646608037
Energy: 1.7644982186172022
Energy: 1.969443464659082
Energy: 2.671809666145389
Energy: 1.7000849648024392
Energy: 1.7053564984840803
Energy: 1.7000849647989955
Energy: 2.671809666145389
Energy: 1.7000849648007172
Energy: 1.7653414095314206
Energy: 2.3755845052761853
Energy: 1.7062484400472735
Energy: 2.3755845052761853
Energy: 1.7653414095331421
Energy: 2.3755845052761853

minimum gb energy = 1.698578082438568 eV
minimum distance =  2.42364218754438 Angstroms
sigma value = 11


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

Energy: 2.6890915357883203
Energy: 2.120329213828692
Energy: 2.688722929153405
Energy: 2.1203292138279353
Energy: 2.689091535789076
Energy: 2.1203292138279353
Energy: 2.6855347520766712
Energy: 2.62700027422542
Energy: 2.1181739841604723
Energy: 2.62700027422542
Energy: 2.6855347520766712
Energy: 2.62700027422542
Energy: 2.117498532253725
Energy: 2.412970442285088
Energy: 2.1199473907117072
Energy: 2.412970442285088
Energy: 2.1174985322544817
Energy: 2.412970442285088
Energy: 2.137509629435904
Energy: 2.1311661050351267
Energy: 2.116224234166631
Energy: 2.1311661050366397
Energy: 2.137509629435148
Energy: 2.1311661050358834
Energy: 2.3433943034529743
Energy: 2.411409724588652
Energy: 2.125329927712273
Energy: 2.411409724589408
Energy: 2.3433943034522176
Energy: 2.411409724589408
Energy: 2.1637648919568417
Energy: 2.4817135029438804
Energy: 2.405295145943204
Energy: 2.481713502944637
Energy: 2.1637648919560846
Energy: 2.4817135029438804
Energy: 2.1233585061084073
Energy: 2.601867666221262
Energy: 2.1680879567801403
Energy: 2.601867666222019
Energy: 2.1233585061084073
Energy: 2.601867666222019
Energy: 2.1171556405547025
Energy: 2.129456694577057
Energy: 2.241805249121804
Energy: 2.1294566945778137
Energy: 2.1171556405539462
Energy: 2.1294566945778137
Energy: 2.2947022205673644
Energy: 2.2220685383449816
Energy: 2.116279599070889
Energy: 2.2220685383457384
Energy: 2.2947022205681216
Energy: 2.2220685383457384
Energy: 2.1176421890523
Energy: 2.6869029906489286
Energy: 2.2543778523482954
Energy: 2.6869029906481727
Energy: 2.117642189051544
Energy: 2.6869029906481727
Energy: 2.4379630669123857
Energy: 2.723264706601265
Energy: 2.377143623348725
Energy: 2.723264706601265
Energy: 2.437963066911629
Energy: 2.723264706601265
Energy: 2.1215638134163317
Energy: 2.364807129928937
Energy: 2.433115374080904
Energy: 2.3648071299001927
Energy: 2.1215638134163317
Energy: 2.3648071299070006
Energy: 2.117816261413284
Energy: 2.4194808018777105
Energy: 2.2974731047267705
Energy: 2.4194808018777105
Energy: 2.117816261412528
Energy: 2.419480801876954
Energy: 2.124839731662556
Energy: 2.2173964713784726
Energy: 2.1231251537368827
Energy: 2.2173964713784726
Energy: 2.1248397316617997
Energy: 2.2173964713784726
Energy: 2.1163531836995486
Energy: 2.4665673845975906
Energy: 2.117631339983829
Energy: 2.466567384596834
Energy: 2.1163531836995486
Energy: 2.4665673845960776
Energy: 2.499861593608935
Energy: 2.5996461683915495
Energy: 2.1692781611843315
Energy: 2.5996461683923067
Energy: 2.499861593608935
Energy: 2.5996461683923067
Energy: 2.168042931811762
Energy: 2.601262129844422
Energy: 2.1178003132347714
Energy: 2.601262129844422
Energy: 2.168042931811762
Energy: 2.601262129844422
Energy: 2.231857479316485
Energy: 2.5602975104835948
Energy: 2.116497625140268
Energy: 2.560297510484351
Energy: 2.2318574793187533
Energy: 2.560297510484351
Energy: 2.1268869721550203
Energy: 2.413378973286144
Energy: 2.123666378903147
Energy: 2.413378973286144
Energy: 2.1268869721550203
Energy: 2.4133789732869007
Energy: 2.1167977112097325
Energy: 2.412518222460835
Energy: 2.1182443508696487
Energy: 2.4125182224615913
Energy: 2.1167977112097325
Energy: 2.4125182224615913
Energy: 2.445144882730691
Energy: 2.3649377926258612
Energy: 2.1170758007515174
Energy: 2.3649377926258612
Energy: 2.445144882730691
Energy: 2.364937792627374
Energy: 2.377166755935891
Energy: 2.7218695987706134
Energy: 2.513011714805367
Energy: 2.7218695987706134
Energy: 2.377166755935135
Energy: 2.7218695987706134
Energy: 2.1238224853295686
Energy: 2.6272735664865143
Energy: 2.136174104539638
Energy: 2.6272735664872706
Energy: 2.1238224853288123
Energy: 2.6272735664865143
Energy: 2.1165744439644003
Energy: 2.2192588980568204
Energy: 2.2955720126228045
Energy: 2.2192588980568204
Energy: 2.116574443963644
Energy: 2.2192588980575767
Energy: 2.2417569262880135
Energy: 2.1295270705595333
Energy: 2.1120329184603155
Energy: 2.1295270705595333
Energy: 2.2417569262880135
Energy: 2.1295270705595333
Energy: 2.165022399172517
Energy: 2.6646020440792064
Energy: 2.123093653126718
Energy: 2.6646020440799627
Energy: 2.1650223991717605
Energy: 2.6646020440799627
Energy: 2.3432423879667508
Energy: 2.365588522079324
Energy: 2.3434146723219977
Energy: 2.365588522081593
Energy: 2.3432423879667508
Energy: 2.3655885220377213
Energy: 2.123235885217895
Energy: 2.4121858432461094
Energy: 2.163509139367454
Energy: 2.4121858432461094
Energy: 2.123235885217139
Energy: 2.4121858432461094
Energy: 2.1173403761603
Energy: 2.1299542066334918
Energy: 2.136884767491047
Energy: 2.1299542066350052
Energy: 2.1173403761603
Energy: 2.1299542066350052
Energy: 2.1126856271568064
Energy: 2.3690299375543136
Energy: 2.1166969004711023
Energy: 2.3690299375543136
Energy: 2.112685627157563
Energy: 2.3690299375543136
Energy: 2.1214129163970803
Energy: 2.6267243293644302
Energy: 2.684860761178801
Energy: 2.6267243293644302
Energy: 2.121412916396324
Energy: 2.6267243293644302

minimum gb energy = 2.1120329184603155 eV
minimum distance =  2.38611730568237 Angstroms
sigma value = 57


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

Energy: 2.3203025349179294
Energy: 2.262293719286025
Energy: 2.7630982478439328
Energy: 2.262293719286025
Energy: 2.3203025349179294
Energy: 2.262293719286025
Energy: 2.2841792931123903
Energy: 2.2514605313656912
Energy: 2.2029825952577293
Energy: 2.2514605313670373
Energy: 2.284179293113737
Energy: 2.5393542920485386
Energy: 2.204792563173896
Energy: 2.2966169364895683
Energy: 2.2034344692298045
Energy: 2.2966169364882227
Energy: 2.204792563173896
Energy: 2.2966169364882227
Energy: 2.20451113773625
Energy: 2.428559747157883
Energy: 2.2045484991248934
Energy: 2.4288324949386393
Energy: 2.20451113773625
Energy: 2.337128247976404
Energy: 2.2034304644644616
Energy: 2.296759874171093
Energy: 2.2048654470773172
Energy: 2.296759874171093
Energy: 2.2034304644644616
Energy: 2.296759874171093
Energy: 2.2031110305453563
Energy: 2.25170955133049
Energy: 2.284122566993997
Energy: 2.25170955133049
Energy: 2.2031110305453563
Energy: 2.25170955133049
Energy: 2.7630982478439328
Energy: 2.262293719286025
Energy: 2.3203025349179294
Energy: 2.262293719287371
Energy: 2.7630982478439328
Energy: 2.262293719287371
Energy: 2.202982595259076
Energy: 2.5393542920485386
Energy: 2.284179293113737
Energy: 2.5393542920485386
Energy: 2.202982595259076
Energy: 2.5393542920485386
Energy: 2.20343446923115
Energy: 2.2966169364882227
Energy: 2.2047925631752423
Energy: 2.2966169364895683
Energy: 2.20343446923115
Energy: 2.2966169364895683
Energy: 2.2045484991248934
Energy: 2.4285597471619216
Energy: 2.204511137734904
Energy: 2.3371282483558358
Energy: 2.2045484991248934
Energy: 2.428832493477477
Energy: 2.2048654470773172
Energy: 2.2967598741697466
Energy: 2.203430464463115
Energy: 2.296759874171093
Energy: 2.2048654470773172
Energy: 2.296759874171093
Energy: 2.284122566993997
Energy: 2.2517095513318357
Energy: 2.2031110305467023
Energy: 2.2517095513318357
Energy: 2.284122566993997
Energy: 2.2517095513318357
Energy: 2.3203025349165833
Energy: 2.262293719286025
Energy: 2.6063228779934318
Energy: 2.262293719287371
Energy: 2.3203025349179294
Energy: 2.262293719286025
Energy: 2.2841792931123903
Energy: 2.3215095824213443
Energy: 2.202982595259076
Energy: 2.3215095824213443
Energy: 2.2841792931123903
Energy: 2.3215095824213443
Energy: 2.2047925631752423
Energy: 2.2966169364882227
Energy: 2.2034344692298045
Energy: 2.2966169364895683
Energy: 2.204792563173896
Energy: 2.2966169364895683
Energy: 2.20451113773625
Energy: 2.3371282486989244
Energy: 2.2045484991248934
Energy: 2.4285597471699973
Energy: 2.20451113773625
Energy: 2.3371282487554272
Energy: 2.2034304644644616
Energy: 2.296759874171093
Energy: 2.2048654470773172
Energy: 2.296759874171093
Energy: 2.2034304644644616
Energy: 2.296759874172439

minimum gb energy = 2.2029825952577293 eV
minimum distance =  2.43459058921699 Angstroms
sigma value = 9


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

Energy: 2.483244394913273
Energy: 2.4337654833768445
Energy: 2.7617525348815777
Energy: 2.4337654833768445
Energy: 2.483244394913273
Energy: 2.4337654833768445
Energy: 2.2614900387857726
Energy: 2.3698681642021833
Energy: 2.3488934905934733
Energy: 2.3698681642010846
Energy: 2.2614900387857726
Energy: 2.3698681641988864
Energy: 2.3333750193428475
Energy: 2.397311606358501
Energy: 2.3470027440397176
Energy: 2.3973116063596
Energy: 2.3333750193428475
Energy: 2.397311606360699
Energy: 2.332984199188941
Energy: 2.3011605250141667
Energy: 2.202613108317309
Energy: 2.3011605250152654
Energy: 2.332984199188941
Energy: 2.3011605250152654
Energy: 2.1830144164106065
Energy: 2.393286354338767
Energy: 2.348558844385077
Energy: 2.393286354338767
Energy: 2.1830144164106065
Energy: 2.393286354339866
Energy: 2.3338153024958728
Energy: 2.3012192786676167
Energy: 2.569810969043461
Energy: 2.30121927866322
Energy: 2.3338153024958728
Energy: 2.30121927866322
Energy: 2.3395268105554963
Energy: 2.3973855205822923
Energy: 2.3403460456694134
Energy: 2.3973855205768473
Energy: 2.3395268105543967
Energy: 2.3973855205768473
Energy: 2.188335876735373
Energy: 2.5017271009275466
Energy: 2.3502804647828217
Energy: 2.501727100929745
Energy: 2.188335876735373
Energy: 2.501727100929745
Energy: 2.181446955912775
Energy: 2.4113011561791535
Energy: 2.201504955927347
Energy: 2.411301156176955
Energy: 2.181446955913874
Energy: 2.411301156176955
Energy: 2.547499184727616
Energy: 2.442496712523133
Energy: 2.3469055453995664
Energy: 2.4424967125187376
Energy: 2.547499184727616
Energy: 2.4424967125176384
Energy: 2.3359381257975618
Energy: 2.3341020514126902
Energy: 2.2894717416465515
Energy: 2.3341020514148885
Energy: 2.3359381257975618
Energy: 2.3341020514148885
Energy: 2.3385609467353716
Energy: 2.3990752987926447
Energy: 2.279146709781511
Energy: 2.399075298797041
Energy: 2.3385609467353716
Energy: 2.399075298797041
Energy: 2.335901961657482
Energy: 2.3968126607593394
Energy: 2.287001058774474
Energy: 2.396812660760439
Energy: 2.335901961656383
Energy: 2.396812660760439
Energy: 2.338482902789206
Energy: 2.347879873019871
Energy: 2.199413947684274
Energy: 2.347879873018772
Energy: 2.3384829027881073
Energy: 2.347879873018772
Energy: 2.4646657594568175
Energy: 2.4426530856218474
Energy: 2.34514687775033
Energy: 2.44265308561855
Energy: 2.4646657594568175
Energy: 2.44265308561855
Energy: 2.1884792691939254
Energy: 2.410647367352638
Energy: 2.199181040078733
Energy: 2.410647367353737
Energy: 2.1884792691939254
Energy: 2.410647367352638
Energy: 2.1891908516428975
Energy: 2.412198151531744
Energy: 2.2027426145479
Energy: 2.4121981515339423
Energy: 2.1891908516428975
Energy: 2.4121981515339423
Energy: 2.33114990015378
Energy: 2.442710001759683
Energy: 2.3603445090803246
Energy: 2.4427100017607817
Energy: 2.3311499001526808
Energy: 2.4427100017607817
Energy: 2.33294161174328
Energy: 2.301174802959771
Energy: 2.2030388778159047
Energy: 2.301174802957573
Energy: 2.33294161174328
Energy: 2.301174802957573
Energy: 2.3332549632182022
Energy: 2.3935452829441206
Energy: 2.3627249970680415
Energy: 2.3935452829485167
Energy: 2.3332549632182022
Energy: 2.3935452829485167
Energy: 2.3326559496495185
Energy: 2.3007781943288426
Energy: 2.284820581321378
Energy: 2.3007781943277434
Energy: 2.3326559496495185
Energy: 2.3007781943277434

minimum gb energy = 2.181446955912775 eV
minimum distance =  2.42539584586901 Angstroms
sigma value = 27


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

Energy: 2.421345076449965
Energy: 2.54094865433762
Energy: 2.58939424350789
Energy: 2.5409486543366935
Energy: 2.421345076449965
Energy: 2.5409486543366935
Energy: 2.3147303040133878
Energy: 2.41201053201592
Energy: 2.303502869590069
Energy: 2.41201053201592
Energy: 2.3147303040133878
Energy: 2.412010532014994
Energy: 2.198002001782276
Energy: 2.479228561997332
Energy: 2.303404344284543
Energy: 2.4792285619982586
Energy: 2.1980020017832023
Energy: 2.4792285619982586
Energy: 2.1731025571077573
Energy: 2.3174921108799342
Energy: 2.329617558172142
Energy: 2.3174921108799342
Energy: 2.1731025571077573
Energy: 2.3174921108799342
Energy: 2.169231653298855
Energy: 2.4097202686762196
Energy: 2.1734364728759528
Energy: 2.4097202686780306
Energy: 2.169231653298855
Energy: 2.4097202686789565
Energy: 2.1991855057846608
Energy: 2.3441828321769105
Energy: 2.1921940613579025
Energy: 2.3441828321759837
Energy: 2.1991855057846608
Energy: 2.3441828321759837
Energy: 2.173320601545234
Energy: 2.3386443673261597
Energy: 2.1731612534457927
Energy: 2.3386443673261597
Energy: 2.1733206015443076
Energy: 2.338644367327086
Energy: 2.314265045219427
Energy: 2.3664487263455434
Energy: 2.1732677721496
Energy: 2.3664487263455434
Energy: 2.314265045219427
Energy: 2.3664487263455434
Energy: 2.3458894700310853
Energy: 2.3149434477527118
Energy: 2.4803844152711862
Energy: 2.3149434477536377
Energy: 2.3458894700310853
Energy: 2.3149434477527118
Energy: 2.1669040359152816
Energy: 2.4289407712702324
Energy: 2.233229182199982
Energy: 2.428940771271159
Energy: 2.1669040359162084
Energy: 2.428940771271159
Energy: 2.1668727857949452
Energy: 2.4289046472261333
Energy: 2.3785031211352
Energy: 2.4289046472261333
Energy: 2.1668727857949452
Energy: 2.4289046472261333
Energy: 2.345917291690048
Energy: 2.315195289238176
Energy: 2.480497509909526
Energy: 2.315195289238176
Energy: 2.345917291690048
Energy: 2.315195289238176
Energy: 2.31430114678857
Energy: 2.368246528434915
Energy: 2.1730736313481436
Energy: 2.368246528434915
Energy: 2.3143011467876438
Energy: 2.368246528434915
Energy: 2.173086137886608
Energy: 2.3392050884306106
Energy: 2.173328579930299
Energy: 2.339205088429684
Energy: 2.173086137886608
Energy: 2.339205088429684
Energy: 2.1991830389263827
Energy: 2.3449220508619497
Energy: 2.1921779094267078
Energy: 2.344922050862876
Energy: 2.1991830389263827
Energy: 2.3449220508619497
Energy: 2.169106177667369
Energy: 2.4097202686789565
Energy: 2.173062321938181
Energy: 2.4097202686789565
Energy: 2.169106177668296
Energy: 2.4097202686789565
Energy: 2.1731048484028714
Energy: 2.3176061603477005
Energy: 2.199045971639117
Energy: 2.317606160348627
Energy: 2.1731048484028714
Energy: 2.317606160348627
Energy: 2.1979287939586705
Energy: 2.4793481896194907
Energy: 2.303407435635563
Energy: 2.4793481896185643
Energy: 2.1979287939586705
Energy: 2.4793481896185643
Energy: 2.3146297791380706
Energy: 2.4122076670365
Energy: 2.3033200455204277
Energy: 2.4122076670365
Energy: 2.314629779137144
Energy: 2.4122076670365
Energy: 2.421345076449965
Energy: 2.5409486543366935
Energy: 2.505747937159719
Energy: 2.54094865433762
Energy: 2.421345076449965
Energy: 2.54094865433762
Energy: 2.3147303040133878
Energy: 2.41201053201592
Energy: 2.303502869590069
Energy: 2.412010532016846
Energy: 2.3147303040143137
Energy: 2.41201053201592
Energy: 2.198002001782276
Energy: 2.4792285619982586
Energy: 2.303404344284543
Energy: 2.479228561997332
Energy: 2.198002001782276
Energy: 2.479228561997332
Energy: 2.1731025571086837
Energy: 2.317492110880861
Energy: 2.4617453279373147
Energy: 2.317492110880861
Energy: 2.1731025571086837
Energy: 2.317492110880861
Energy: 2.169231653298855
Energy: 2.4097202686771038
Energy: 2.1734364728759528
Energy: 2.4097202686771038
Energy: 2.1692316532997817
Energy: 2.4097202686771038
Energy: 2.1991855057846608
Energy: 2.3441828321769105
Energy: 2.192194061358829
Energy: 2.3441828321769105
Energy: 2.1991855057846608
Energy: 2.3441828321759837

minimum gb energy = 2.1668727857949452 eV
minimum distance =  2.43060733388 Angstroms
sigma value = 19


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

Energy: 2.418009696598707
Energy: 2.175158451247055
Energy: 2.4490936443890425
Energy: 2.175158451247055
Energy: 2.418009696598707
Energy: 2.175158451247055
Energy: 2.353556894966824
Energy: 2.4649275848282026
Energy: 2.122946784437296
Energy: 2.4649275848322008
Energy: 2.353556894966824
Energy: 2.4649275848322008
Energy: 2.1450847092716385
Energy: 2.3994577450700456
Energy: 2.124075929862762
Energy: 2.3994577450692463
Energy: 2.1450847092716385
Energy: 2.3994577450700456
Energy: 2.1307620078762466
Energy: 2.3349290908942173
Energy: 2.1423087169726536
Energy: 2.3349290908950175
Energy: 2.1307620078762466
Energy: 2.3349290908950175
Energy: 2.097503983644337
Energy: 2.3397528986532983
Energy: 2.158625514094343
Energy: 2.3397528986540976
Energy: 2.097503983644337
Energy: 2.3397528986540976
Energy: 2.1466641612169033
Energy: 2.2767235846235705
Energy: 2.157572351939167
Energy: 2.2767235846195724
Energy: 2.1466641612169033
Energy: 2.2767235846195724
Energy: 2.0969549810490227
Energy: 2.363647440699485
Energy: 2.1591979353593658
Energy: 2.3636474406978856
Energy: 2.0969549810490227
Energy: 2.3636474406978856
Energy: 2.2623497096374825
Energy: 2.362816812394778
Energy: 2.1575727022340807
Energy: 2.362816812394778
Energy: 2.2623497096374825
Energy: 2.362816812394778
Energy: 2.0976998831221896
Energy: 2.3317726354086425
Energy: 2.2505145792650083
Energy: 2.3317726354070434
Energy: 2.0976998831221896
Energy: 2.3317726354070434
Energy: 2.134951259367216
Energy: 2.3160527998914846
Energy: 2.122988141126403
Energy: 2.316052799886686
Energy: 2.134951259367216
Energy: 2.3160527998874865
Energy: 2.227656938777051
Energy: 2.3230711000015165
Energy: 2.124718628098836
Energy: 2.323071100002316
Energy: 2.227656938777051
Energy: 2.323071100002316
Energy: 2.1822351508884466
Energy: 2.4216242897108113
Energy: 2.1231790030181497
Energy: 2.4216242897108113
Energy: 2.182235150886847
Energy: 2.4216242897108113
Energy: 2.1851984111482383
Energy: 2.4220146317771056
Energy: 2.1240256952774406
Energy: 2.422014631777906
Energy: 2.1851984111482383
Energy: 2.4220146317771056
Energy: 2.1441573500989204
Energy: 2.3243950394117374
Energy: 2.1904650995493067
Energy: 2.3243950394133366
Energy: 2.1441573500997206
Energy: 2.3243950394133366
Energy: 2.172146509720696
Energy: 2.3347884519417645
Energy: 2.1241448640721847
Energy: 2.3347884519417645
Energy: 2.172146509720696
Energy: 2.3347884519417645
Energy: 2.189089420226175
Energy: 2.3309032291747553
Energy: 2.126850784751211
Energy: 2.3309032291739555
Energy: 2.189089420226175
Energy: 2.3309032291747553
Energy: 2.143920951416853
Energy: 2.2768777432160934
Energy: 2.12496842966984
Energy: 2.276877743214494
Energy: 2.143920951416853
Energy: 2.276877743214494
Energy: 2.171004287263735
Energy: 2.483447369913608
Energy: 2.1228244229828572
Energy: 2.483447369912808
Energy: 2.171004287263735
Energy: 2.483447369912808
Energy: 2.1439021583193147
Energy: 2.2767620695706077
Energy: 2.1249527656313507
Energy: 2.2767620695706077
Energy: 2.1439021583193147
Energy: 2.2767620695706077
Energy: 2.189040294466284
Energy: 2.330810857667644
Energy: 2.1268591115670974
Energy: 2.330810857670842
Energy: 2.1890402944670835
Energy: 2.330810857671642
Energy: 2.2021189303899327
Energy: 2.3347795719265707
Energy: 2.1240661344986798
Energy: 2.334779571925771
Energy: 2.2021189303899327
Energy: 2.334779571925771
Energy: 2.143841020686736
Energy: 2.324450157771843
Energy: 2.190444654696608
Energy: 2.324450157772606
Energy: 2.1438410206874994
Energy: 2.324450157772606
Energy: 2.1852440847748174
Energy: 2.4219803308111714
Energy: 2.123876935644416
Energy: 2.4219803308127705
Energy: 2.1852440847748174
Energy: 2.4219803308127705
Energy: 2.183098077330246
Energy: 2.4214811935649228
Energy: 2.1231397080031855
Energy: 2.421481193567322
Energy: 2.183098077330246
Energy: 2.4214811935665224
Energy: 2.227595451730432
Energy: 2.3230996255139313
Energy: 2.123973206315224
Energy: 2.3230996255139313
Energy: 2.227595451730432
Energy: 2.323099625513132
Energy: 2.1347945291497115
Energy: 2.3160117585728397
Energy: 2.1231275053068965
Energy: 2.3160117585728397
Energy: 2.134794529150511
Energy: 2.316011758573639
Energy: 2.0977197450338627
Energy: 2.3319118179528684
Energy: 2.250514579266608
Energy: 2.3319118179520686
Energy: 2.0977197450338627
Energy: 2.3319118179512692
Energy: 2.2621546443540668
Energy: 2.3627807050702154
Energy: 2.157538599467028
Energy: 2.3627807050686167
Energy: 2.2621546443548666
Energy: 2.3627807050686167
Energy: 2.0968504714190663
Energy: 2.3636474407002845
Energy: 2.159171765051847
Energy: 2.363647440699485
Energy: 2.0968504714182665
Energy: 2.363647440699485

minimum gb energy = 2.0968504714182665 eV
minimum distance =  2.40939453133658 Angstroms
sigma value = 101


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

Energy: 2.3490928531558266
Energy: 2.5210799748015322
Energy: 2.336705076876482
Energy: 2.5210799748001267
Energy: 2.3490928531558266
Energy: 2.5210799748008292
Energy: 2.063633012900702
Energy: 2.262776579250082
Energy: 2.0665377923520216
Energy: 2.262776579250082
Energy: 2.063633012900702
Energy: 2.262776579250082
Energy: 2.0421666432863264
Energy: 2.359948814963571
Energy: 2.0641542145774765
Energy: 2.3599488149642736
Energy: 2.042166643285624
Energy: 2.359948814962868
Energy: 2.0246443533953515
Energy: 2.344654717451516
Energy: 2.0692199070654786
Energy: 2.344654717452219
Energy: 2.024644353396055
Energy: 2.344654717451516
Energy: 2.0241237187423726
Energy: 2.2527755095997684
Energy: 2.0707283250072788
Energy: 2.252775509601174
Energy: 2.024123718741669
Energy: 2.252775509601174
Energy: 2.042684786837201
Energy: 2.331272597524006
Energy: 2.0250166358900477
Energy: 2.331272597524006
Energy: 2.042684786837201
Energy: 2.331272597524006
Energy: 2.071020519718115
Energy: 2.3207877368870444
Energy: 2.024022254443869
Energy: 2.3207877368870444
Energy: 2.071020519717444
Energy: 2.3207877368870444
Energy: 2.0705685985510427
Energy: 2.320823540877547
Energy: 2.0434198818270835
Energy: 2.2990496795003392
Energy: 2.0705685985510427
Energy: 2.320823540876844
Energy: 2.023465110341685
Energy: 2.2746023775682414
Energy: 2.0424299591803896
Energy: 2.274602377567539
Energy: 2.023465110340982
Energy: 2.274602377567539
Energy: 2.023248940145637
Energy: 2.2544507940407037
Energy: 2.0248086105997216
Energy: 2.2544507940400007
Energy: 2.023248940144934
Energy: 2.2544507940392977
Energy: 2.1183586963696377
Energy: 2.2437936131889953
Energy: 2.1544200518808965
Energy: 2.2437936131882923
Energy: 2.1183586963696377
Energy: 2.2437936131882923
Energy: 2.066726765920612
Energy: 2.3600970215678316
Energy: 2.025401680682143
Energy: 2.3600970215678316
Energy: 2.0667267659199084
Energy: 2.3600970215685346
Energy: 2.062987034182413
Energy: 2.3601489702766663
Energy: 2.166598008296951
Energy: 2.3601489702766663
Energy: 2.06298703418171
Energy: 2.3601489702766663
Energy: 2.067520405750117
Energy: 2.3569377159513873
Energy: 2.063018311209235
Energy: 2.356937715950685
Energy: 2.067520405750117
Energy: 2.3569377159513873
Energy: 2.036756922577773
Energy: 2.5513679755735335
Energy: 2.0631238593064034
Energy: 2.5513679755735335
Energy: 2.036756922577773
Energy: 2.5513679755735335
Energy: 2.0634430767540355
Energy: 2.3622993195416773
Energy: 2.041756953514417
Energy: 2.3622993195416773
Energy: 2.063443076754738
Energy: 2.3622993195416773
Energy: 2.023881788641975
Energy: 2.3445006170221876
Energy: 2.0239207664728234
Energy: 2.3445006170221876
Energy: 2.023881788641975
Energy: 2.3445006170221876
Energy: 2.0431714561507692
Energy: 2.2160163702749496
Energy: 2.0262298825972636
Energy: 2.216016370275652
Energy: 2.0431714561500667
Energy: 2.216016370275652
Energy: 2.039437216624193
Energy: 2.253296588533567
Energy: 2.042457910524901
Energy: 2.253296588533567
Energy: 2.0394372166234898
Energy: 2.253296588533567
Energy: 2.024921361067943
Energy: 2.4477631851598054
Energy: 2.0240956774118604
Energy: 2.4477631851583994
Energy: 2.024921361067943
Energy: 2.4477631851583994
Energy: 2.058080262424644
Energy: 2.2153674542006865
Energy: 2.070723970687772
Energy: 2.2153674542006865
Energy: 2.058080262424644
Energy: 2.2153674542006865
Energy: 2.0400967286812626
Energy: 2.331957844718903
Energy: 2.0260276704130447
Energy: 2.3319578447182
Energy: 2.0400967286812626
Energy: 2.331957844718903
Energy: 2.0428674251511922
Energy: 2.2530181236476063
Energy: 2.0235411279699376
Energy: 2.2530181236483093
Energy: 2.0428674251504892
Energy: 2.2530181236483093
Energy: 2.0236805085870864
Energy: 2.30517634215683
Energy: 2.1183557251388714
Energy: 2.30517634215683
Energy: 2.0236805085884924
Energy: 2.3630226448617417
Energy: 2.0240128018009043
Energy: 2.421942052596735
Energy: 2.038504324053224
Energy: 2.4219420525974376
Energy: 2.0240128018009043
Energy: 2.4219420525974376
Energy: 2.177649303535316
Energy: 2.298930933135119
Energy: 2.0637917044515133
Energy: 2.298930933135119
Energy: 2.177649303535316
Energy: 2.298930933134416
Energy: 2.063035867396467
Energy: 2.3560510147441915
Energy: 2.023398985119235
Energy: 2.3560510147441915
Energy: 2.06303586739717
Energy: 2.3560510147441915
Energy: 2.0631569466441304
Energy: 2.356417256344208
Energy: 2.0260084486847902
Energy: 2.3564172563435055
Energy: 2.0631569466441304
Energy: 2.356417256344208
Energy: 2.3290992454821056
Energy: 2.2992993077622503
Energy: 2.2280578265114754
Energy: 2.2992993077615473
Energy: 2.3290992454821056
Energy: 2.299299307764359
Energy: 2.025539993629192
Energy: 2.248206575270199
Energy: 2.0257893110149507
Energy: 2.248206575269496
Energy: 2.025539993629895
Energy: 2.248206575268793
Energy: 2.027592261679226
Energy: 2.304988658002862
Energy: 2.04191325740459
Energy: 2.304988658002862
Energy: 2.027592261678523
Energy: 2.304988658002862
Energy: 2.158113222846558
Energy: 2.2529005708642287
Energy: 2.02530755338198
Energy: 2.252900570863526
Energy: 2.158113222845152
Energy: 2.252900570863526
Energy: 2.023692465518552
Energy: 2.4438924900368018
Energy: 2.042824254348749
Energy: 2.4438924900375047
Energy: 2.023692465518552
Energy: 2.4438924900375047

minimum gb energy = 2.023248940144934 eV
minimum distance =  2.44332321829587 Angstroms
sigma value = 33


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

Energy: 0.019624536589483047
Energy: 0.020471365318311154
Energy: 2.117844250281992
Energy: 0.020471365317727096
Energy: 0.019624536588898994
Energy: 0.020471365318311154
Energy: 0.020121286630862392
Energy: 1.4254587276171655
Energy: 0.020121286630862392
Energy: 1.4254587276171655
Energy: 0.020121286631414007
Energy: 1.4254587276171655
Energy: 2.117844250281992
Energy: 0.020471365318311154
Energy: 0.019624536588898994
Energy: 0.020471365317727096
Energy: 2.117844250281992
Energy: 0.020471365318311154
Energy: 0.020121286631414007
Energy: 1.4254587276171655
Energy: 0.020121286631414007
Energy: 1.4254587276171655
Energy: 0.020121286631414007
Energy: 1.4254587276171655

minimum gb energy = 0.019624536588898994 eV
minimum distance =  2.6793152762448 Angstroms
sigma value = 1