Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335420566668
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013191310869030153
Energy: 0.013767766985071388
Energy: 0.013203385194097037
Energy: 0.013767766985071388
Energy: 0.013191310869030153
Energy: 0.01376776698554263
Energy: 0.01376776698457243
Energy: 2.4361432420488267
Energy: 0.013767766985071388
Energy: 2.4361432420493254
Energy: 0.01376776698457243
Energy: 2.4361432420488267
Energy: 0.013203385194568278
Energy: 0.013767766985071388
Energy: 0.013191310869501392
Energy: 0.01376776698457243
Energy: 0.013203385194097037
Energy: 0.013767766985071388
Energy: 0.01376776698457243
Energy: 2.4361432420488267
Energy: 0.01376776698457243
Energy: 2.4361432420483276
Energy: 0.01376776698457243
Energy: 2.436143242047857
Energy: 0.013191310869030153
Energy: 0.01376776698457243
Energy: 0.013203385194568278
Energy: 0.01376776698457243
Energy: 0.013191310869030153
Energy: 0.01376776698457243
Energy: 0.013767766985071388
Energy: 2.4361432420488267
Energy: 0.013767766985071388
Energy: 2.4361432420483276
Energy: 0.01376776698457243
Energy: 2.4361432420483276

minimum gb energy = 0.013191310869030153 eV
minimum distance =  2.4252135485576 Angstroms
sigma value = 1


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

Energy: 1.40996892175092
Energy: 1.4310536160291565
Energy: 1.242331650660585
Energy: 1.4310536160291565
Energy: 1.409968921753322
Energy: 1.4310536160291565
Energy: 1.3493441682168263
Energy: 1.401895315481834
Energy: 1.34812365669936
Energy: 1.4018953154830351
Energy: 1.349344168215625
Energy: 1.401895315481834
Energy: 1.2199881089252929
Energy: 1.402028864690741
Energy: 1.4101008051618265
Energy: 1.402028864690741
Energy: 1.2199881089252929
Energy: 1.402028864690741
Energy: 1.3671670793158734
Energy: 1.3841857708210237
Energy: 1.2155506215650123
Energy: 1.3841857708210237
Energy: 1.3671670793158734
Energy: 1.3841857708210237
Energy: 1.4333329862081032
Energy: 1.4312950310573558
Energy: 1.3359768683485698
Energy: 1.4312950310561545
Energy: 1.4333329862081032
Energy: 1.4312950310561545
Energy: 1.4053985191520202
Energy: 1.4019962826841956
Energy: 1.2271043187995005
Energy: 1.4019962826841956
Energy: 1.4053985191520202
Energy: 1.4019962826841956
Energy: 1.4053195357793817
Energy: 1.4019781918896967
Energy: 1.220185453480961
Energy: 1.4019781918896967
Energy: 1.4053195357769797
Energy: 1.4019781918896967
Energy: 1.457020873125414
Energy: 1.4314187155902105
Energy: 1.2163282668285569
Energy: 1.4314187155890092
Energy: 1.4570208731242127
Energy: 1.4314187155890092
Energy: 1.3695101098465083
Energy: 1.3860709311712909
Energy: 1.215286719623162
Energy: 1.3860709311712909
Energy: 1.3695101098477098
Energy: 1.3860709311712909
Energy: 1.406992614638417
Energy: 1.4013618686792773
Energy: 1.2277706085850366
Energy: 1.4013618686792773
Energy: 1.406992614638417
Energy: 1.4013618686792773
Energy: 1.2205089823420592
Energy: 1.3889228870863035
Energy: 1.3477898881984383
Energy: 1.3889228870875046
Energy: 1.220508982338456
Energy: 1.3889228870875046
Energy: 1.2179596446406074
Energy: 1.430404551634511
Energy: 1.2179173432767825
Energy: 1.4304045516357125
Energy: 1.2179596446406074
Energy: 1.4304045516357125
Energy: 1.347883087203634
Energy: 1.3889228870839014
Energy: 1.256195201220307
Energy: 1.3889228870839014
Energy: 1.3478830872024328
Energy: 1.3889228870839014
Energy: 1.2277833678985968
Energy: 1.401380951942193
Energy: 1.4069486240968367
Energy: 1.401380951942193
Energy: 1.2277833678985968
Energy: 1.401380951942193
Energy: 1.2153510501425926
Energy: 1.3857032601325978
Energy: 1.3665190753982315
Energy: 1.3857032601313968
Energy: 1.2153510501413913
Energy: 1.3857032601313968
Energy: 1.2163646139483988
Energy: 1.4312589843618322
Energy: 1.4570251849520253
Energy: 1.4312589843630332
Energy: 1.2163646139459965
Energy: 1.4312589843618322
Energy: 1.2202370283099888
Energy: 1.4019458514481116
Energy: 1.4050367075889711
Energy: 1.4019458514505136
Energy: 1.2202370283087876
Energy: 1.4019458514505136
Energy: 1.227089001336614
Energy: 1.4020059909341929
Energy: 1.4053490800890565
Energy: 1.402005990935394
Energy: 1.227089001336614
Energy: 1.402005990935394
Energy: 1.3149550519822568
Energy: 1.4311696992102487
Energy: 1.433574471682001
Energy: 1.431169699209048
Energy: 1.3149550519822568
Energy: 1.431169699209048
Energy: 1.2154328143752429
Energy: 1.3843870169873116
Energy: 1.3663587482554391
Energy: 1.3843870169873116
Energy: 1.215432814376444
Energy: 1.3843870169873116
Energy: 1.4101353375205008
Energy: 1.401730435128721
Energy: 1.2199824938814272
Energy: 1.401730435128721
Energy: 1.4101353375192998
Energy: 1.401730435128721
Energy: 1.348348026125008
Energy: 1.402138799399672
Energy: 1.3493237368706157
Energy: 1.4021387994008734
Energy: 1.348348026125008
Energy: 1.4021387994008734
Energy: 1.3687638528029016
Energy: 1.4310536160291565
Energy: 1.409968921752121
Energy: 1.4310536160291565
Energy: 1.3687638528029016
Energy: 1.4310536160291565

minimum gb energy = 1.215286719623162 eV
minimum distance =  2.27573816231552 Angstroms
sigma value = 33


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

Energy: 1.8389466114310673
Energy: 1.5252122312099368
Energy: 1.312238840511338
Energy: 1.5252122312106198
Energy: 1.8389466114331166
Energy: 1.5252122312106198
Energy: 1.3554640238428046
Energy: 1.4834031051797365
Energy: 1.4117261481618597
Energy: 1.4834031051790535
Energy: 1.3554640238414384
Energy: 1.48340310517837
Energy: 1.2698762433901216
Energy: 1.5201252766996451
Energy: 1.5194852743355258
Energy: 1.5201252767010114
Energy: 1.2698762433901216
Energy: 1.5201252767010114
Energy: 1.3933690587314784
Energy: 1.4715220566518332
Energy: 1.5265353640124713
Energy: 1.4715220566525165
Energy: 1.3933690587314784
Energy: 1.4715220566525165
Energy: 1.3935298819896245
Energy: 1.4951680941789316
Energy: 1.4914467579061668
Energy: 1.4951680941789316
Energy: 1.3935298819903075
Energy: 1.4951680941789316
Energy: 1.4067326245048075
Energy: 1.497636337122617
Energy: 1.2797893037233468
Energy: 1.4976363371212509
Energy: 1.4067326245048075
Energy: 1.4976363371212509
Energy: 1.4068370291360095
Energy: 1.4975789608691876
Energy: 1.3685041632783406
Energy: 1.4975789608691876
Energy: 1.406837029137376
Energy: 1.4975789608691876
Energy: 1.306272175598747
Energy: 1.4956621341046956
Energy: 1.467062649339405
Energy: 1.4956621341046956
Energy: 1.3062721755994302
Energy: 1.4956621341046956
Energy: 1.424775365853232
Energy: 1.4719105289384051
Energy: 1.4070048226378227
Energy: 1.4719105289384051
Energy: 1.4247753658545983
Energy: 1.4719105289384051
Energy: 1.3615167216648587
Energy: 1.5202733203417778
Energy: 1.3684001166698867
Energy: 1.5202733203417778
Energy: 1.3615167216648587
Energy: 1.5202733203424608
Energy: 1.352659518127469
Energy: 1.4795426091351878
Energy: 1.4119244694657018
Energy: 1.4795426091338215
Energy: 1.352659518127469
Energy: 1.4795426091345047
Energy: 1.5192815956257766
Energy: 1.4957674519604698
Energy: 1.3569614846572373
Energy: 1.4957674519604698
Energy: 1.5192815956257766
Energy: 1.4957674519604698
Energy: 1.5239003225005288
Energy: 1.487208265465499
Energy: 1.3751041284030938
Energy: 1.487208265465499
Energy: 1.5239003225005288
Energy: 1.487208265465499
Energy: 1.435620418342229
Energy: 1.520067309804952
Energy: 1.4152521092833095
Energy: 1.5200673098056352
Energy: 1.4356204183435954
Energy: 1.5200673098056352
Energy: 1.52008538011125
Energy: 1.4953274685717621
Energy: 1.450593258288773
Energy: 1.495327468570396
Energy: 1.52008538011125
Energy: 1.495327468570396
Energy: 1.5202617003406331
Energy: 1.4953157645385549
Energy: 1.35678732559316
Energy: 1.4953157645385549
Energy: 1.5202617003413164
Energy: 1.4953157645385549
Energy: 1.5345239269992401
Energy: 1.4949053228892821
Energy: 1.3679529568003834
Energy: 1.4949053228885991
Energy: 1.5345239269992401
Energy: 1.494905322887916
Energy: 1.535693459129016
Energy: 1.4815426906745972
Energy: 1.4506536041200602
Energy: 1.481542690673914
Energy: 1.5356934591303821
Energy: 1.481542690673914
Energy: 1.2800053859969531
Energy: 1.495920054518486
Energy: 1.4671173003554272
Energy: 1.4959200545191693
Energy: 1.2800053859976361
Energy: 1.4959200545191693
Energy: 1.4044688008251256
Energy: 1.472054787235126
Energy: 1.408147585133995
Energy: 1.472054787235809
Energy: 1.4044688008251256
Energy: 1.472054787235126
Energy: 1.5168189625450177
Energy: 1.5200679793480414
Energy: 1.31297631949824
Energy: 1.5200679793494076
Energy: 1.5168189625443345
Energy: 1.5200679793494076
Energy: 1.3528715309321608
Energy: 1.481132046688407
Energy: 1.4129261707346745
Energy: 1.481132046688407
Energy: 1.3528715309321608
Energy: 1.481132046688407
Energy: 1.3679366134792492
Energy: 1.495855794779408
Energy: 1.4914374191490336
Energy: 1.4958557947800912
Energy: 1.3679366134792492
Energy: 1.4958557947807745
Energy: 1.524846942202676
Energy: 1.4818857094831892
Energy: 1.4126250849980524
Energy: 1.4818857094831892
Energy: 1.5248469422033595
Energy: 1.4818857094831892
Energy: 1.4109774112416016
Energy: 1.4993340234960444
Energy: 1.519411387176818
Energy: 1.4993340234967276
Energy: 1.4109774112443343
Energy: 1.4993340234967276
Energy: 1.4141797813172707
Energy: 1.520539486728102
Energy: 1.3676727203140226
Energy: 1.5205394867294684
Energy: 1.4141797813159045
Energy: 1.5205394867287851
Energy: 1.4143122258638143
Energy: 1.520538313194573
Energy: 1.3016114969993597
Energy: 1.52053831319389
Energy: 1.4143122258651808
Energy: 1.52053831319389
Energy: 1.4108258222024224
Energy: 1.4993216115405856
Energy: 1.5194198068361773
Energy: 1.4993216115399024
Energy: 1.4108258222024224
Energy: 1.4993216115399024
Energy: 1.5229334005829762
Energy: 1.481887157338549
Energy: 1.4127936416889746
Energy: 1.4818871573378658
Energy: 1.5229334005843422
Energy: 1.4818871573371826
Energy: 1.3679229162881903
Energy: 1.495851579658266
Energy: 1.4456354864118892
Energy: 1.4958515796568999
Energy: 1.3679229162875068
Energy: 1.4958515796568999
Energy: 1.3529166345850399
Energy: 1.481132046688407
Energy: 1.4132867418025599
Energy: 1.4811320466877236
Energy: 1.3529166345850399
Energy: 1.4811320466877236
Energy: 1.5170253951823243
Energy: 1.5200680644371973
Energy: 1.313023596986179
Energy: 1.5200680644371973
Energy: 1.5170253951823243
Energy: 1.5200680644365143
Energy: 1.4054710804289237
Energy: 1.4721321897528286
Energy: 1.4074972065884699
Energy: 1.4721321897535118
Energy: 1.4054710804289237
Energy: 1.4721321897535118
Energy: 1.2800067126756478
Energy: 1.4959103844375048
Energy: 1.407079554919321
Energy: 1.4959103844375048
Energy: 1.280006712676331
Energy: 1.4959103844375048
Energy: 1.5355897517627388
Energy: 1.4815136724327114
Energy: 1.4294956466984179
Energy: 1.4815136724306621
Energy: 1.5355897517620558
Energy: 1.4815136724306621
Energy: 1.5350087264361072
Energy: 1.494923802832589
Energy: 1.3680790720995697
Energy: 1.494923802831906
Energy: 1.5350087264367902
Energy: 1.494923802831906
Energy: 1.520133389486187
Energy: 1.4951680472900435
Energy: 1.3258677115129618
Energy: 1.49516804729141
Energy: 1.520133389486187
Energy: 1.4951680472907267
Energy: 1.5204489448139655
Energy: 1.4955311886563212
Energy: 1.4505445310806082
Energy: 1.4955311886556382
Energy: 1.520448944816015
Energy: 1.4955311886556382
Energy: 1.4354154596569784
Energy: 1.5200624081547123
Energy: 1.4151967771552594
Energy: 1.5200624081540293
Energy: 1.4354154596576616
Energy: 1.5200624081540293
Energy: 1.5319651598833723
Energy: 1.4832707865347647
Energy: 1.3751411308001436
Energy: 1.4832707865347647
Energy: 1.531965159882006
Energy: 1.4832707865347647
Energy: 1.5192785637620476
Energy: 1.4957724471904634
Energy: 1.3252918572452532
Energy: 1.4957724471897802
Energy: 1.5192785637613644
Energy: 1.4957724471897802

minimum gb energy = 1.2698762433901216 eV
minimum distance =  2.268375260005 Angstroms
sigma value = 51


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

Energy: 1.6114122132788562
Energy: 1.566337196212161
Energy: 1.4348117062302168
Energy: 1.566337196212161
Energy: 1.6114122132788562
Energy: 1.566337196212161
Energy: 1.2891498134103156
Energy: 1.609086344172673
Energy: 1.6742441207279215
Energy: 1.609086344172673
Energy: 1.2891498134103156
Energy: 1.6090863441710903
Energy: 1.2876753678931483
Energy: 1.566482658832806
Energy: 1.4939070335405702
Energy: 1.5664826588343888
Energy: 1.2876753678947312
Energy: 1.5664826588343888
Energy: 1.3020040925670961
Energy: 1.5070272020286883
Energy: 1.6736712780949026
Energy: 1.5070272020271056
Energy: 1.3020040925670961
Energy: 1.5070272020271056
Energy: 1.3006820594471682
Energy: 1.5088055920130707
Energy: 1.4510660927667296
Energy: 1.5088055920114882
Energy: 1.3006820594471682
Energy: 1.5088055920114882
Energy: 1.611863785202478
Energy: 1.5068785670786
Energy: 1.7199360682755078
Energy: 1.5068785670833484
Energy: 1.611863785204061
Energy: 1.5068785670833484
Energy: 1.6120231997886711
Energy: 1.5084702773792225
Energy: 1.4494265760243799
Energy: 1.5084702773823884
Energy: 1.612023199790254
Energy: 1.5084702773823884
Energy: 1.3026301915678642
Energy: 1.5069639585324432
Energy: 1.274776911259444
Energy: 1.5069639585308605
Energy: 1.3026301915678642
Energy: 1.5069639585308605
Energy: 1.6812356695021773
Energy: 1.5216395684440036
Energy: 1.307486125584608
Energy: 1.5216395684471693
Energy: 1.68123566950376
Energy: 1.5216395684471693
Energy: 1.287341467070187
Energy: 1.5676958715214682
Energy: 1.2748702714511115
Energy: 1.5676958715214682
Energy: 1.287341467070187
Energy: 1.5676958715214682
Energy: 1.6829864173497908
Energy: 1.5179891167132216
Energy: 1.673550049529627
Energy: 1.5179891167148045
Energy: 1.6829864173513738
Energy: 1.5179891167148045
Energy: 1.6144351670581896
Energy: 1.566598415165074
Energy: 1.720338826157705
Energy: 1.566598415166657
Energy: 1.6144351670581896
Energy: 1.566598415166657
Energy: 1.4770528591797385
Energy: 1.508025402775776
Energy: 1.6742007571536441
Energy: 1.508025402775776
Energy: 1.4770528591781555
Energy: 1.508025402775776
Energy: 1.2873705939510052
Energy: 1.5665339650138597
Energy: 1.6738601624849727
Energy: 1.5665339650122767
Energy: 1.287370593952588
Energy: 1.5665339650122767
Energy: 1.2873130979653513
Energy: 1.5675128386598052
Energy: 1.6738498953687853
Energy: 1.5675128386613881
Energy: 1.2873130979653513
Energy: 1.5675128386613881
Energy: 1.2887422912645647
Energy: 1.5176928002030738
Energy: 1.6738289978209164
Energy: 1.5176928002030738
Energy: 1.2887422912645647
Energy: 1.5176928002030738
Energy: 1.6117562710202447
Energy: 1.5679782212569804
Energy: 1.7181182645867066
Energy: 1.5679782212538147
Energy: 1.6117562710218274
Energy: 1.5679782212538147
Energy: 1.611842957752377
Energy: 1.5090967417365562
Energy: 1.6737456673416864
Energy: 1.5090967417365562
Energy: 1.61184295775396
Energy: 1.509096741738103

minimum gb energy = 1.274776911259444 eV
minimum distance =  2.24256969650211 Angstroms
sigma value = 19


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

Energy: 1.734811370405177
Energy: 1.6621611213957534
Energy: 1.3620285825037959
Energy: 1.6621611213966923
Energy: 1.7348113704042383
Energy: 1.6621611213966923
Energy: 1.3839519497513348
Energy: 1.6522177423717563
Energy: 1.525745728370874
Energy: 1.6522177423717563
Energy: 1.3839519497513348
Energy: 1.6522177423708173
Energy: 1.337487741390077
Energy: 1.6411313434046122
Energy: 1.5323377842688495
Energy: 1.6411313434046122
Energy: 1.337487741390077
Energy: 1.6411313434046122
Energy: 1.5318497208630197
Energy: 1.6180552374864234
Energy: 1.615707048560256
Energy: 1.6180552374854846
Energy: 1.5318497208620807
Energy: 1.6180552374854846
Energy: 1.3621249749733897
Energy: 1.6406834733560356
Energy: 1.6331358852225173
Energy: 1.6406834733560356
Energy: 1.3621249749733897
Energy: 1.6406834733560356
Energy: 1.6322713592889408
Energy: 1.640708414832482
Energy: 1.3620800113176885
Energy: 1.640708414832482
Energy: 1.6322713592898799
Energy: 1.640708414833421
Energy: 1.6157451835940804
Energy: 1.6180683136644793
Energy: 1.4467942683851553
Energy: 1.6180683136644793
Energy: 1.6157451835940804
Energy: 1.6180683136644793
Energy: 1.5318047048963084
Energy: 1.6411568990944045
Energy: 1.3374783765708567
Energy: 1.6411568990944045
Energy: 1.5318047048963084
Energy: 1.6411568990953436
Energy: 1.5256053911656546
Energy: 1.65226578496147
Energy: 1.39524273042669
Energy: 1.652265784962409
Energy: 1.5256053911656546
Energy: 1.652265784962409
Energy: 1.362042581450397
Energy: 1.6621611213948146
Energy: 1.7348113704042383
Energy: 1.6621611213948146
Energy: 1.3620475683295141
Energy: 1.6621611213948146
Energy: 1.525745728369935
Energy: 1.6522177423708173
Energy: 1.3953337684072087
Energy: 1.6522177423698783
Energy: 1.525745728369935
Energy: 1.6522177423698783
Energy: 1.5323377842688495
Energy: 1.6411313434036732
Energy: 1.337487741390077
Energy: 1.6411313434027344
Energy: 1.5323377842688495
Energy: 1.6411313434027344
Energy: 1.615707048561195
Energy: 1.6180552374845456
Energy: 1.5318497208620807
Energy: 1.6180552374854846
Energy: 1.615707048560256
Energy: 1.6180552374854846
Energy: 1.6331358852215785
Energy: 1.6406834733550968
Energy: 1.3621249749743285
Energy: 1.6406834733560356
Energy: 1.6331358852215785
Energy: 1.6406834733560356
Energy: 1.3620800113158107
Energy: 1.640708414832482
Energy: 1.6322713592880234
Energy: 1.640708414832482
Energy: 1.3620800113167495
Energy: 1.640708414832482
Energy: 1.4049569063506955
Energy: 1.6180683136644793
Energy: 1.6157451835940804
Energy: 1.6180683136654184
Energy: 1.4049569063516345
Energy: 1.6180683136654184
Energy: 1.3374783765699179
Energy: 1.6411568990944045
Energy: 1.5318047048972472
Energy: 1.6411568990953436
Energy: 1.3374783765699179
Energy: 1.6411568990953436
Energy: 1.3952427304257509
Energy: 1.65226578496147
Energy: 1.5256053911665934
Energy: 1.65226578496147
Energy: 1.39524273042669
Energy: 1.65226578496147
Energy: 1.7348113704042383
Energy: 1.6621611213966923
Energy: 1.4336986375997673
Energy: 1.6621611213957534
Energy: 1.7348113704042383
Energy: 1.6621611213966923
Energy: 1.3953337684072087
Energy: 1.6522177423717563
Energy: 1.525745728370874
Energy: 1.6522177423717563
Energy: 1.3953337684072087
Energy: 1.6522177423717563
Energy: 1.337487741390077
Energy: 1.6411313434046122
Energy: 1.5323377842697883
Energy: 1.6411313434046122
Energy: 1.337487741390077
Energy: 1.6411313434046122
Energy: 1.5318497208620807
Energy: 1.6180552374854846
Energy: 1.615707048560256
Energy: 1.6180552374864234
Energy: 1.5318497208620807
Energy: 1.6180552374864234
Energy: 1.3621249749733897
Energy: 1.6406834733560356
Energy: 1.6331358852225173
Energy: 1.6406834733560356
Energy: 1.3621249749733897
Energy: 1.6406834733560356
Energy: 1.6322713592898799
Energy: 1.640708414832482
Energy: 1.3620800113176885
Energy: 1.640708414833421
Energy: 1.6322713592889408
Energy: 1.640708414832482
Energy: 1.6157451835940804
Energy: 1.6180683136644793
Energy: 1.36141181975062
Energy: 1.6180683136644793
Energy: 1.6157451835940804
Energy: 1.6180683136644793
Energy: 1.5318047048972472
Energy: 1.6411568990953436
Energy: 1.3374783765708567
Energy: 1.6411568990944045
Energy: 1.5318047048972472
Energy: 1.6411568990944045
Energy: 1.5256053911656546
Energy: 1.65226578496147
Energy: 1.395242730427629
Energy: 1.65226578496147
Energy: 1.5256053911656546
Energy: 1.65226578496147
Energy: 1.5560818162115857
Energy: 1.6621611213948146
Energy: 1.7348113704042383
Energy: 1.6621611213948146
Energy: 1.5560818162115857
Energy: 1.6621611213948146
Energy: 1.525745728369935
Energy: 1.6522177423708173
Energy: 1.3953337684072087
Energy: 1.6522177423708173
Energy: 1.525745728369935
Energy: 1.6522177423708173
Energy: 1.5323377842688495
Energy: 1.6411313434027344
Energy: 1.337487741390077
Energy: 1.6411313434036732
Energy: 1.5323377842688495
Energy: 1.6411313434036732

minimum gb energy = 1.3374783765699179 eV
minimum distance =  2.23861525734942 Angstroms
sigma value = 27


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

Energy: 1.2956998667813926
Energy: 1.5714783103405656
Energy: 1.3354438130370454
Energy: 1.5714783103403305
Energy: 1.2956998667813926
Energy: 1.5714783103403305
Energy: 1.2879825112908025
Energy: 1.4902276014146059
Energy: 1.3353975414376027
Energy: 1.490227601414841
Energy: 1.2879825112912469
Energy: 1.490227601414841
Energy: 1.3136481295644333
Energy: 1.6735569864380893
Energy: 1.3909187134111374
Energy: 1.6735569864380893
Energy: 1.313648129563989
Energy: 1.673556986437854
Energy: 1.2936526943161522
Energy: 1.5713871628731793
Energy: 1.3124345834304227
Energy: 1.5713871628731793
Energy: 1.2936526943161522
Energy: 1.571387162872944
Energy: 1.3371450409662682
Energy: 1.5722649948025325
Energy: 1.3330455033608464
Energy: 1.5722649948029768
Energy: 1.3371450409655883
Energy: 1.5722649948029768
Energy: 1.312340554068326
Energy: 1.535353170807198
Energy: 1.3370302606303224
Energy: 1.5353531708051336
Energy: 1.3123405540685613
Energy: 1.5353531708055776
Energy: 1.3347907433546977
Energy: 1.4904659162603109
Energy: 1.3125115912244898
Energy: 1.490465916260546
Energy: 1.3347907433544886
Energy: 1.490465916260546
Energy: 1.293119346616872
Energy: 1.5694661448884124
Energy: 1.3394811058819995
Energy: 1.5694661448881773
Energy: 1.293119346615957
Energy: 1.5694661448881773
Energy: 1.3125141442831152
Energy: 1.5717582616583199
Energy: 1.2896460764231832
Energy: 1.5717582616576407
Energy: 1.3125141442833244
Energy: 1.5717582616576407
Energy: 1.3123882126844477
Energy: 1.6807446248032167
Energy: 1.3123797740891145
Energy: 1.6807446248032167
Energy: 1.3123882126848918
Energy: 1.6807446248029814
Energy: 1.3337246302342063
Energy: 1.5720024343494645
Energy: 1.3125379497536631
Energy: 1.572002434349935
Energy: 1.3337246302346506
Energy: 1.572002434349935
Energy: 1.3388580452364303
Energy: 1.5695205257392801
Energy: 1.293156899110493
Energy: 1.5695205257397504
Energy: 1.3388580452359597
Energy: 1.5695205257395155

minimum gb energy = 1.2879825112908025 eV
minimum distance =  2.25924831508499 Angstroms
sigma value = 9


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

Energy: 1.7478075709287513
Energy: 1.7057435938773233
Energy: 1.4523256927500832
Energy: 1.7057435938773233
Energy: 1.7478075709293976
Energy: 1.7057435938773233
Energy: 1.5379279475030747
Energy: 1.648723490918408
Energy: 1.4305990222336864
Energy: 1.648723490917762
Energy: 1.5379279475024288
Energy: 1.648723490917762
Energy: 1.4180925863607714
Energy: 1.696237245225556
Energy: 1.4468971502122896
Energy: 1.696237245225556
Energy: 1.4180925863607714
Energy: 1.696237245225556
Energy: 1.375760575946917
Energy: 1.6720874813746454
Energy: 1.3450314912649903
Energy: 1.672087481373999
Energy: 1.3757605759462708
Energy: 1.672087481373999
Energy: 1.3739353600695723
Energy: 1.6705052281225252
Energy: 1.3654002895248614
Energy: 1.6705052281238175
Energy: 1.3739353600695723
Energy: 1.6705052281238175
Energy: 1.3547001909717054
Energy: 1.6423265581938675
Energy: 1.418674685364682
Energy: 1.642326558191929
Energy: 1.354700190970413
Energy: 1.642326558191929
Energy: 1.541136361003844
Energy: 1.6898667876005216
Energy: 1.4189216260634896
Energy: 1.6898667875998752
Energy: 1.5411363610025515
Energy: 1.6898667876005216
Energy: 1.564749748027606
Energy: 1.6722640811078398
Energy: 1.4648117360886475
Energy: 1.6722640811084861
Energy: 1.5647497480269599
Energy: 1.6722640811078398
Energy: 1.536793506253271
Energy: 1.6147401659520033
Energy: 1.4601411147192238
Energy: 1.6147401659520033
Energy: 1.536793506253271
Energy: 1.6147401659520033
Energy: 1.5634509473110836
Energy: 1.7027064724420742
Energy: 1.3728429759266945
Energy: 1.702706472441428
Energy: 1.5634509473104374
Energy: 1.7027064724420742
Energy: 1.4809063816989503
Energy: 1.6873149443848159
Energy: 1.4471982497749374
Energy: 1.6873149443848159
Energy: 1.4809063816989503
Energy: 1.6873149443848159
Energy: 1.4290664339692736
Energy: 1.671789926770603
Energy: 1.4178933983260154
Energy: 1.671789926770603
Energy: 1.4290664339692736
Energy: 1.671789926770603
Energy: 1.3527748316990886
Energy: 1.5976528883191592
Energy: 1.3493049112164965
Energy: 1.5976528883191592
Energy: 1.352774831700381
Energy: 1.5976528883191592
Energy: 1.5425607080771224
Energy: 1.6980663323135545
Energy: 1.3492655347832625
Energy: 1.6980663323129084
Energy: 1.542560708076476
Energy: 1.6980663323135545
Energy: 1.4321690129782951
Energy: 1.683108993031009
Energy: 1.4384964029093983
Energy: 1.6831089930323013
Energy: 1.4321690129776488
Energy: 1.6831089930323013
Energy: 1.4657248664404954
Energy: 1.667489638924022
Energy: 1.4179899084782877
Energy: 1.6674896389246683
Energy: 1.4657248664404954
Energy: 1.6674896389246683
Energy: 1.420524109237212
Energy: 1.7022176710026842
Energy: 1.4359190889455704
Energy: 1.7022176710026842
Energy: 1.4205241092720777
Energy: 1.7022176710026842
Energy: 1.417453248116499
Energy: 1.6010691009178968
Energy: 1.4419605416679888
Energy: 1.6010691009178968
Energy: 1.4174532481184376
Energy: 1.6010691009178968
Energy: 1.419503693211485
Energy: 1.706719757149225
Energy: 1.3585714361623267
Energy: 1.706719757149871
Energy: 1.419503693211485
Energy: 1.706719757149871
Energy: 1.3528551722719104
Energy: 1.6549782334579355
Energy: 1.3528115393927913
Energy: 1.6549782334585819
Energy: 1.3528551722719104
Energy: 1.6549782334585819
Energy: 1.3585553684044545
Energy: 1.7068151407312633
Energy: 1.418999736962638
Energy: 1.7068151407319097
Energy: 1.358555368405747
Energy: 1.7068151407319097
Energy: 1.4420783724880568
Energy: 1.6011371218054855
Energy: 1.417525859024144
Energy: 1.6011371218054855
Energy: 1.442078372486118
Energy: 1.6011371218054855
Energy: 1.4361710221798025
Energy: 1.7021931425766215
Energy: 1.4201810108546549
Energy: 1.7021931425766215
Energy: 1.4361710221798025
Energy: 1.7021931425766215
Energy: 1.4177773330116064
Energy: 1.672952997162282
Energy: 1.46574612344428
Energy: 1.672952997162928
Energy: 1.417777333013545
Energy: 1.672952997162928
Energy: 1.4384884197338936
Energy: 1.683433308963099
Energy: 1.4321339100618595
Energy: 1.6834333089643914
Energy: 1.4384884197332473
Energy: 1.6834333089637452
Energy: 1.3503873361322285
Energy: 1.697856247083032
Energy: 1.542581011457848
Energy: 1.6978562470823857
Energy: 1.3503873361328746
Energy: 1.6978562470823857
Energy: 1.349238684115336
Energy: 1.5976648730621512
Energy: 1.3528541597936756
Energy: 1.5976648730621512
Energy: 1.3492386841140436
Energy: 1.5976648730621512
Energy: 1.4177562140891284
Energy: 1.6717414866860938
Energy: 1.429075563795909
Energy: 1.6717414866860938
Energy: 1.4177562140904205
Energy: 1.6717414866860938
Energy: 1.4474353861087919
Energy: 1.6872992646369696
Energy: 1.4660228771922366
Energy: 1.6872992646363234
Energy: 1.4474353861081457
Energy: 1.6872992646369696
Energy: 1.372604015185449
Energy: 1.702640779587618
Energy: 1.5634488573470298
Energy: 1.7026407795889102
Energy: 1.3726040151841565
Energy: 1.7026407795889102
Energy: 1.4477592103527372
Energy: 1.6147401659520033
Energy: 1.536920592700491
Energy: 1.6147401659520033
Energy: 1.4477592103527372
Energy: 1.6147401659520033
Energy: 1.4647805094339388
Energy: 1.6722845658662484
Energy: 1.5645548067590587
Energy: 1.6722845658668946
Energy: 1.4647805094332924
Energy: 1.6722845658668946
Energy: 1.4189930598709308
Energy: 1.689939943148278
Energy: 1.710254870542066
Energy: 1.6899399431495705
Energy: 1.4189930598709308
Energy: 1.6899399431495705
Energy: 1.4188636489282447
Energy: 1.5964983597670468
Energy: 1.3546946672602438
Energy: 1.5964983597683393
Energy: 1.4188636489288908
Energy: 1.5964983597683393
Energy: 1.3825213868111992
Energy: 1.6706073463971085
Energy: 1.3737761337782828
Energy: 1.6706073463971085
Energy: 1.3825213868111992
Energy: 1.6706073463971085
Energy: 1.3449814429598346
Energy: 1.6720373707437934
Energy: 1.3757592121033744
Energy: 1.6720373707444396
Energy: 1.3449814429591884
Energy: 1.6720373707444396
Energy: 1.4469516917353915
Energy: 1.6997994162590393
Energy: 1.4181306384985992
Energy: 1.6997994162596857
Energy: 1.4469516917353915
Energy: 1.6997994162596857
Energy: 1.4307668005689358
Energy: 1.680987484714632
Energy: 1.5381194594113143
Energy: 1.6809874847152784
Energy: 1.4307668005682896
Energy: 1.6809874847159245
Energy: 1.4730420305890224
Energy: 1.7057435938786156
Energy: 1.7478075709287513
Energy: 1.705743593879262
Energy: 1.4730420305928997
Energy: 1.705743593879262
Energy: 1.4305990222375637
Energy: 1.648723490918408
Energy: 1.5379279475043672
Energy: 1.648723490918408
Energy: 1.430599022235625
Energy: 1.648723490918408
Energy: 1.4468971502109973
Energy: 1.696237245225556
Energy: 1.4180925863594789
Energy: 1.696237245225556
Energy: 1.446897150210351
Energy: 1.696237245225556
Energy: 1.345031491264344
Energy: 1.672087481373999
Energy: 1.3757605759443323
Energy: 1.6720874813733528
Energy: 1.345031491264344
Energy: 1.6720874813733528
Energy: 1.345308890156295
Energy: 1.6705052281238175
Energy: 1.3739353600702182
Energy: 1.670505228124464
Energy: 1.3453088901575874
Energy: 1.670505228124464

minimum gb energy = 1.3449814429591884 eV
minimum distance =  2.21618071656561 Angstroms
sigma value = 57


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

Energy: 1.4884396022270288
Energy: 1.5979906671531463
Energy: 1.2916869664108048
Energy: 1.5979906671531463
Energy: 1.4884396022270288
Energy: 1.5979906671531463
Energy: 1.2382576624394037
Energy: 1.6110555171185241
Energy: 1.328232585050853
Energy: 1.6110555171185241
Energy: 1.2382576624394037
Energy: 1.6110555171185241
Energy: 1.2325912565282109
Energy: 1.5655544599384168
Energy: 1.353042339272882
Energy: 1.5655544599384168
Energy: 1.2325912565282109
Energy: 1.5655544599384168
Energy: 1.2641818393336617
Energy: 1.565642552958987
Energy: 1.2648436644400218
Energy: 1.565642552958987
Energy: 1.2641818393336617
Energy: 1.565642552958987
Energy: 1.2645101106383119
Energy: 1.5984187775794
Energy: 1.3280771565752414
Energy: 1.5984187775779293
Energy: 1.2645101106383119
Energy: 1.5984187775794
Energy: 1.2634037126454272
Energy: 1.5653087892896194
Energy: 1.2315561738380816
Energy: 1.5653087892896194
Energy: 1.263403712643956
Energy: 1.5653087892896194
Energy: 1.2634099201851847
Energy: 1.5652669037703308
Energy: 1.2314007003201044
Energy: 1.5652669037703308
Energy: 1.2634099201851847
Energy: 1.5652669037703308
Energy: 1.264515594064823
Energy: 1.5983619763511403
Energy: 1.264898483057872
Energy: 1.5983619763526111
Energy: 1.264515594064823
Energy: 1.5983619763526111
Energy: 1.2640094012518157
Energy: 1.565482580324542
Energy: 1.3283850049308104
Energy: 1.565482580324542
Energy: 1.2640094012518157
Energy: 1.565482580324542
Energy: 1.2326223989239808
Energy: 1.5655559414063203
Energy: 1.3530075534808734
Energy: 1.5655559414063203
Energy: 1.2326223989239808
Energy: 1.5655559414063203
Energy: 1.2381780615836846
Energy: 1.611055517117053
Energy: 1.264982080711362
Energy: 1.611055517117053
Energy: 1.2381780615836846
Energy: 1.611055517117053
Energy: 1.4884396022270288
Energy: 1.5979906671531463
Energy: 1.3831140824352872
Energy: 1.5979906671531463
Energy: 1.4884396022270288
Energy: 1.5979906671531463
Energy: 1.2382576624394037
Energy: 1.6110555171185241
Energy: 1.2640555865965704
Energy: 1.6110555171185241
Energy: 1.2382576624394037
Energy: 1.6110555171185241
Energy: 1.2325912565282109
Energy: 1.5655544599384168
Energy: 1.353042339278766
Energy: 1.5655544599384168
Energy: 1.2325912565282109
Energy: 1.5655544599384168
Energy: 1.2641818393351327
Energy: 1.565642552958987
Energy: 1.2648436644400218
Energy: 1.565642552960458
Energy: 1.2641818393336617
Energy: 1.565642552958987
Energy: 1.264510110639783
Energy: 1.5984187775779293
Energy: 1.2634508876625534
Energy: 1.5984187775794
Energy: 1.2645101106383119
Energy: 1.5984187775794
Energy: 1.2634037126454272
Energy: 1.5653087892896194
Energy: 1.2315561738380816
Energy: 1.5653087892896194
Energy: 1.263403712643956
Energy: 1.5653087892896194
Energy: 1.2634099201866555
Energy: 1.5652669037703308
Energy: 1.2314007003201044
Energy: 1.5652669037703308
Energy: 1.2634099201851847
Energy: 1.5652669037703308
Energy: 1.264515594063352
Energy: 1.5983619763526111
Energy: 1.264898483057872
Energy: 1.5983619763511403
Energy: 1.264515594063352
Energy: 1.5983619763511403

minimum gb energy = 1.2314007003201044 eV
minimum distance =  2.21820947237148 Angstroms
sigma value = 11


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

Energy: 1.3148592833420518
Energy: 1.5224646187878663
Energy: 1.2675645574042875
Energy: 1.5224646187867885
Energy: 1.3148592833442068
Energy: 1.5224646187867885
Energy: 1.5547841757531706
Energy: 1.4543356266934753
Energy: 1.1466661799664641
Energy: 1.4543356266956304
Energy: 1.5547841757542478
Energy: 1.4543356266956304
Energy: 1.309421532631341
Energy: 1.4365974651837266
Energy: 1.2669540235443433
Energy: 1.436597465184804
Energy: 1.309421532631341
Energy: 1.436597465184804
Energy: 1.3569040737745293
Energy: 1.4279036436615602
Energy: 1.146600881858279
Energy: 1.4279036436604826
Energy: 1.3569040737723743
Energy: 1.4279036436615602
Energy: 1.145880454595972
Energy: 1.5226164272161498
Energy: 1.191202007169404
Energy: 1.5226164272172276
Energy: 1.145880454595972
Energy: 1.5226164272172276
Energy: 1.1661155204264186
Energy: 1.5064479330678215
Energy: 1.1469719236817755
Energy: 1.5064479330678215
Energy: 1.1661155204264186
Energy: 1.5064479330667442
Energy: 1.1660973463557311
Energy: 1.4369937277416804
Energy: 1.1548852139307892
Energy: 1.436993727742758
Energy: 1.166097346356809
Energy: 1.436993727742758
Energy: 1.5775250525633489
Energy: 1.519856241180468
Energy: 1.1600034694816639
Energy: 1.5198562411826229
Energy: 1.5775250525622715
Energy: 1.5198562411826229
Energy: 1.576850552110798
Energy: 1.5196586055761723
Energy: 1.461838754225077
Energy: 1.5196586055761723
Energy: 1.5768505521075658
Energy: 1.5196586055761723
Energy: 1.1663252962579997
Energy: 1.4356560275529002
Energy: 1.146652980311532
Energy: 1.4356560275539776
Energy: 1.166325296259077
Energy: 1.4356560275539776
Energy: 1.166071838773436
Energy: 1.5090681369861882
Energy: 1.1544903657815089
Energy: 1.5090681369861882
Energy: 1.1660718387745135
Energy: 1.5090681369851104
Energy: 1.1466448525402153
Energy: 1.5193749716292408
Energy: 1.1463427718907075
Energy: 1.5193749716270855
Energy: 1.146644852539138
Energy: 1.5193749716270855
Energy: 1.5767679745308179
Energy: 1.4289832250702896
Energy: 1.1918283740243019
Energy: 1.428983225067057
Energy: 1.5767679745318952
Energy: 1.428983225067057
Energy: 1.1476377899657313
Energy: 1.4369299411297591
Energy: 1.1661556585986392
Energy: 1.4369299411329919
Energy: 1.1476377899668087
Energy: 1.4369299411319143
Energy: 1.551617195781029
Energy: 1.4554811698270054
Energy: 1.1547598554477485
Energy: 1.455481169825928
Energy: 1.5516171957799518
Energy: 1.455481169825928
Energy: 1.161807646888841
Energy: 1.5191304247417394
Energy: 1.3775384251658414
Energy: 1.519130424740662
Energy: 1.1618076468899188
Energy: 1.519130424740662
Energy: 1.5597643449911005
Energy: 1.4535072090450838
Energy: 1.1753092344658405
Energy: 1.4535072090450838
Energy: 1.559764344990023
Energy: 1.4535072090450838
Energy: 1.148051049821967
Energy: 1.4369773001593653
Energy: 1.1833712946195358
Energy: 1.4369773001593653
Energy: 1.148051049823044
Energy: 1.4369773001593653
Energy: 1.355674767800421
Energy: 1.4271363878367864
Energy: 1.1549800303862516
Energy: 1.4271363878357086
Energy: 1.355674767800421
Energy: 1.4271363878346313
Energy: 1.146538153258718
Energy: 1.52474230936054
Energy: 1.1701437454462347
Energy: 1.5247423093626948
Energy: 1.146538153258718
Energy: 1.5247423093616173
Energy: 1.2213406551250587
Energy: 1.5032894436761308
Energy: 1.1470924570272976
Energy: 1.5032894436739759
Energy: 1.2213406551250587
Energy: 1.5032894436739759
Energy: 1.1664648989732014
Energy: 1.4376256424561116
Energy: 1.1524170444717825
Energy: 1.437625642455034
Energy: 1.166464898972124
Energy: 1.437625642455034
Energy: 1.5795105611264413
Energy: 1.5169332956703088
Energy: 1.1599536191448652
Energy: 1.5169332956703088
Energy: 1.5795105611275189
Energy: 1.5169332956703088
Energy: 1.1470713679007816
Energy: 1.5230754337032892
Energy: 1.550650859021168
Energy: 1.5230754337043668
Energy: 1.147071367901859
Energy: 1.5230754337032892
Energy: 1.1675803242026228
Energy: 1.4332715917528092
Energy: 1.1469812673773963
Energy: 1.4332715917517316
Energy: 1.1675803242037002
Energy: 1.4332715917528092
Energy: 1.1664748839947747
Energy: 1.5015582507372938
Energy: 1.1518115828131288
Energy: 1.5015582507372938
Energy: 1.166474883995852
Energy: 1.5015582507372938

minimum gb energy = 1.145880454595972 eV
minimum distance =  2.26519665574037 Angstroms
sigma value = 41


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

Energy: 1.5572468658831617
Energy: 1.440462499481013
Energy: 1.0961626145596417
Energy: 1.440462499481013
Energy: 1.5572468658831617
Energy: 1.4404624994801636
Energy: 1.7721587383612045
Energy: 1.3134250127218783
Energy: 1.0527003587058215
Energy: 1.3134250127218783
Energy: 1.7721587383603552
Energy: 1.3134250127227274
Energy: 1.1171009767629538
Energy: 1.3841859288857075
Energy: 1.0944660162507212
Energy: 1.3841859288848581
Energy: 1.1171009767621045
Energy: 1.3841859288848581
Energy: 1.580189729857862
Energy: 1.2833629554224397
Energy: 1.052611330403038
Energy: 1.2833629554232888
Energy: 1.580189729858711
Energy: 1.2833629554232888
Energy: 1.1116367970038
Energy: 1.2922685284863389
Energy: 1.0824332302163802
Energy: 1.2922685284863389
Energy: 1.1116367970038
Energy: 1.2922685284863389
Energy: 1.3902589476918954
Energy: 1.3615647653423555
Energy: 1.0525435195136248
Energy: 1.3615647653423555
Energy: 1.3902589476918954
Energy: 1.3615647653423555
Energy: 1.054958753085419
Energy: 1.3841141438704765
Energy: 1.0549197233822927
Energy: 1.3841141438696272
Energy: 1.0549587530845697
Energy: 1.3841141438696272
Energy: 1.4426847941501129
Energy: 1.3738259929142613
Energy: 1.0629585344858572
Energy: 1.373825992913412
Energy: 1.4426847941501129
Energy: 1.373825992913412
Energy: 1.080239387686952
Energy: 1.2918667782137183
Energy: 1.2915021114917693
Energy: 1.2918667782137183
Energy: 1.0802393876861027
Energy: 1.2918667782137183
Energy: 1.399394931565792
Energy: 1.3733596111719653
Energy: 1.3752110555137371
Energy: 1.3733596111719653
Energy: 1.399394931565792
Energy: 1.3733596111719653
Energy: 1.3979601134273203
Energy: 1.3735336370946674
Energy: 1.3752410153769539
Energy: 1.373533637093818
Energy: 1.3979601134273203
Energy: 1.373533637093818
Energy: 1.0760344604036012
Energy: 1.3984275566440334
Energy: 1.062651643544567
Energy: 1.3984275566440334
Energy: 1.0760344604036012
Energy: 1.3984275566440334
Energy: 1.0798654319601093
Energy: 1.362402273324249
Energy: 1.2914604755051955
Energy: 1.3624022733250982
Energy: 1.0798654319601093
Energy: 1.3624022733250982
Energy: 1.053024840431817
Energy: 1.373408303694412
Energy: 1.0524322518571974
Energy: 1.373408303694412
Energy: 1.0530248404309677
Energy: 1.373408303694412
Energy: 1.3872923892054847
Energy: 1.3623725334194727
Energy: 1.054811072995789
Energy: 1.362372533420322
Energy: 1.3872923892063338
Energy: 1.3623725334194727
Energy: 1.0529031332620697
Energy: 1.398826410273851
Energy: 1.0526136164781397
Energy: 1.398826410273851
Energy: 1.0529031332612204
Energy: 1.398826410273851
Energy: 1.3653135556620037
Energy: 1.383733606739788
Energy: 1.082740658341411
Energy: 1.383733606739788
Energy: 1.365313555661154
Energy: 1.383733606739788
Energy: 1.0630120500999927
Energy: 1.3732203565835925
Energy: 1.0751026391120393
Energy: 1.3732203565827432
Energy: 1.0630120500991436
Energy: 1.3732203565835925
Energy: 1.7710926135411738
Energy: 1.3148830007430952
Energy: 1.05444968365642
Energy: 1.3148830007430952
Energy: 1.7710926135403244
Energy: 1.3148830007430952
Energy: 1.37669294036701
Energy: 1.3990379464370828
Energy: 1.3975917410141727
Energy: 1.3990379464370828
Energy: 1.37669294036701
Energy: 1.3990379464370828
Energy: 1.7649008113994131
Energy: 1.3125037975928189
Energy: 1.0779001312722352
Energy: 1.3125037975928189
Energy: 1.7649008113994131
Energy: 1.3125037975928189
Energy: 1.06306810535556
Energy: 1.3736388144074239
Energy: 1.076274822612383
Energy: 1.3736388144082734
Energy: 1.06306810535556
Energy: 1.3736388144082734
Energy: 1.3880547824020448
Energy: 1.2834921389267708
Energy: 1.0547708166376555
Energy: 1.2834921389267708
Energy: 1.3880547824020448
Energy: 1.2834921389267708
Energy: 1.0527926650000772
Energy: 1.3273123634760067
Energy: 1.2346248675932825
Energy: 1.3273123634751576
Energy: 1.0527926650009263
Energy: 1.3273123634751576
Energy: 1.2336800338182985
Energy: 1.3610786552171508
Energy: 1.0525523315995742
Energy: 1.361078655218
Energy: 1.2336800338191476
Energy: 1.361078655218
Energy: 1.0529703830457773
Energy: 1.283887329651877
Energy: 1.2115608743164081
Energy: 1.283887329651877
Energy: 1.052970383044928
Energy: 1.283887329651877
Energy: 1.4461056143572877
Energy: 1.373498456643329
Energy: 1.0628744525596412
Energy: 1.3734984566424797
Energy: 1.4461056143572877
Energy: 1.373498456643329
Energy: 1.0765463127576664
Energy: 1.3381297838903778
Energy: 1.3653935806522794
Energy: 1.3381297838903778
Energy: 1.0765463127585158
Energy: 1.3381297838903778
Energy: 1.3977790883671173
Energy: 1.3729315593355589
Energy: 1.3751462107224102
Energy: 1.3729315593355589
Energy: 1.3977790883671173
Energy: 1.3729315593355589
Energy: 1.0528846334891648
Energy: 1.0757353720876452
Energy: 1.3761302264642286
Energy: 1.0757353720850973
Energy: 1.0528846334891648
Energy: 1.0757353720850973
Energy: 1.0771429604405605
Energy: 1.3729577997912938
Energy: 1.0626411868036676
Energy: 1.3729577997912938
Energy: 1.0771429604405605
Energy: 1.3729577997904447
Energy: 1.0763681329759294
Energy: 1.3614807775778113
Energy: 1.365095224627778
Energy: 1.361480777576962
Energy: 1.0763681329759294
Energy: 1.361480777576962
Energy: 1.054713307007177
Energy: 1.3729907527730718
Energy: 1.0524737478186053
Energy: 1.3729907527722227
Energy: 1.0547133070088757
Energy: 1.3729907527722227

minimum gb energy = 1.0524322518571974 eV
minimum distance =  2.26211388111174 Angstroms
sigma value = 33


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

Energy: 1.3047310421629723
Energy: 1.2162615859114303
Energy: 1.062937398312859
Energy: 1.2162615859126222
Energy: 1.3047310421641645
Energy: 1.2162615859120263
Energy: 1.8690473490990807
Energy: 0.9639495149062125
Energy: 0.9340049632911309
Energy: 0.9639495149002522
Energy: 1.8690473490978887
Energy: 0.9639495149014442
Energy: 1.2816663027662425
Energy: 1.2142211245115688
Energy: 1.0647500768680285
Energy: 1.2142211245121648
Energy: 1.2816663027662425
Energy: 1.2142211245121648
Energy: 1.7196488557016105
Energy: 0.9417426181545496
Energy: 0.9336862533389179
Energy: 0.9417426181545496
Energy: 1.7196488557010141
Energy: 0.9417426181551456
Energy: 0.9716348267593422
Energy: 1.1980664544004058
Energy: 0.9435706660456059
Energy: 1.1980664543998096
Energy: 0.9716348267587462
Energy: 1.1980664543998096
Energy: 1.4226158969595395
Energy: 1.162746511252219
Energy: 0.9331598973852733
Energy: 1.162746511254007
Energy: 1.4226158969583473
Energy: 1.162746511254007
Energy: 0.9587736824666481
Energy: 1.1748308871864734
Energy: 0.9300604755175231
Energy: 1.1748308871876654
Energy: 0.9587736824642638
Energy: 1.1748308871876654
Energy: 1.2889565734384996
Energy: 1.1659405572110215
Energy: 0.9352886654437224
Energy: 1.1659405572104258
Energy: 1.2889565734390953
Energy: 1.1659405572110215
Energy: 0.941621015411544
Energy: 1.197993192153918
Energy: 1.091859577330548
Energy: 1.1979931921551101
Energy: 0.941621015411544
Energy: 1.1979931921551101
Energy: 1.1556959996290967
Energy: 1.192443146361883
Energy: 1.1478632812693839
Energy: 1.192443146361287
Energy: 1.1556959996320768
Energy: 1.192443146361287
Energy: 0.9409836481274405
Energy: 1.1749567769631273
Energy: 1.1468552302338872
Energy: 1.1749567769631273
Energy: 0.9409836481274405
Energy: 1.1749567769631273
Energy: 1.4630279299631772
Energy: 1.2081952286761626
Energy: 1.1612548622917185
Energy: 1.2081952286761626
Energy: 1.4630279299613893
Energy: 1.2081952286761626
Energy: 1.1523746180513772
Energy: 1.188627946293176
Energy: 1.352105850990419
Energy: 1.18862794629258
Energy: 1.1523746180513772
Energy: 1.188627946291984
Energy: 1.166806395675981
Energy: 1.2084288664801621
Energy: 1.4208882139236998
Energy: 1.2084288664795662
Energy: 1.1668063956765768
Energy: 1.2084288664795662
Energy: 1.1633150731348714
Energy: 1.170128135275141
Energy: 1.420921205392136
Energy: 1.170128135275141
Energy: 1.1633150731330832
Energy: 1.170128135275141
Energy: 1.1562920021771028
Energy: 1.208456035941133
Energy: 1.1609039005775712
Energy: 1.2084560359405367
Energy: 1.1562920021782948
Energy: 1.2084560359405367
Energy: 1.1523991399577684
Energy: 1.1892274521126998
Energy: 1.3521604915656353
Energy: 1.1892274521126998
Energy: 1.1523991399595566
Energy: 1.1892274521126998
Energy: 0.930004515088743
Energy: 1.2082750434224114
Energy: 1.147857063968008
Energy: 1.2082750434236038
Energy: 0.930004515088147
Energy: 1.2082750434241996
Energy: 1.1543249158020525
Energy: 1.1867119673439301
Energy: 1.1469033262431103
Energy: 1.186711967344526
Energy: 1.1543249158020525
Energy: 1.1867119673439301
Energy: 0.9324440295538846
Energy: 1.2085384082068245
Energy: 0.9353590893121999
Energy: 1.2085384082068245
Energy: 0.9324440295544807
Energy: 1.2085384082068245
Energy: 1.1448835115212075
Energy: 1.1858893735996738
Energy: 1.0920664069110373
Energy: 1.1858893735990779
Energy: 1.1448835115212075
Energy: 1.1858893735990779
Energy: 0.9311032494132668
Energy: 1.208274728570031
Energy: 0.9332339041728862
Energy: 1.208274728570031
Energy: 0.9311032494156509
Energy: 1.208274728570031
Energy: 1.4214883276908499
Energy: 1.1949690266020847
Energy: 0.9298154916670963
Energy: 1.1949690266044688
Energy: 1.421488327690254
Energy: 1.1949690266044688
Energy: 0.9444467199462393
Energy: 1.208480041633886
Energy: 0.9335317931317088
Energy: 1.208480041633886
Energy: 0.9444467199498157
Energy: 1.2084800416332897
Energy: 1.4154496752000938
Energy: 1.1872256735553328
Energy: 1.1120534184756652
Energy: 1.1872256735547368
Energy: 1.4154496752000938
Energy: 1.1872256735547368
Energy: 1.1621025058306798
Energy: 1.2081344288141895
Energy: 0.9441386828966309
Energy: 1.2081344288141895
Energy: 1.1621025058312757
Energy: 1.2081344288141895
Energy: 1.8714151554015508
Energy: 1.0627775510904671
Energy: 0.9296449347530099
Energy: 1.062777551089871
Energy: 1.8714151554009548
Energy: 1.062777551088083
Energy: 1.189118584385381
Energy: 1.208769021016712
Energy: 1.1653713128688539
Energy: 1.208769021016712
Energy: 1.189118584385381
Energy: 1.2087690210173079
Energy: 1.567200605532287
Energy: 1.1810562906052866
Energy: 1.1561515103760212
Energy: 1.1810562906040947
Energy: 1.567200605532287
Energy: 1.1810562906034985
Energy: 1.162381905508845
Energy: 1.2077542339669884
Energy: 1.1813724453368941
Energy: 1.2077542339669884
Energy: 1.162381905509441
Energy: 1.2077542339669884
Energy: 1.5784897323692184
Energy: 0.9410790197046613
Energy: 0.9297857725656703
Energy: 0.9410790197040655
Energy: 1.5784897323692184
Energy: 0.9410790197034694
Energy: 0.9446299192681356
Energy: 1.1918789786039292
Energy: 1.0536068349848005
Energy: 1.191878978602737
Energy: 0.9446299192663475
Energy: 1.191878978602737
Energy: 1.2871321202859267
Energy: 1.162948484508377
Energy: 0.9320211186241553
Energy: 1.162948484507185
Energy: 1.2871321202841386
Energy: 1.162948484507185
Energy: 0.9311692604512103
Energy: 1.1658472180451973
Energy: 1.3023093889591397
Energy: 1.1658472180440054
Energy: 0.9311692604512103
Energy: 1.1658472180446011
Energy: 1.302343980966912
Energy: 1.1659450510979736
Energy: 0.9311887956324245
Energy: 1.1659450510967815
Energy: 1.302343980968104
Energy: 1.1659450510973777
Energy: 0.9321113768170728
Energy: 1.1629215538906674
Energy: 1.287170131943048
Energy: 1.1629215538900715
Energy: 0.9321113768164767
Energy: 1.1629215538900715
Energy: 1.0536238001927216
Energy: 1.191878569959412
Energy: 0.9446286448309933
Energy: 1.191878569959412
Energy: 1.0536238001927216
Energy: 1.191878569959412
Energy: 0.9299991712153651
Energy: 0.94101569947754
Energy: 1.5785290451746636
Energy: 0.9410156994793281
Energy: 0.9299991712153651
Energy: 0.9410156994793281
Energy: 1.1813724453458347
Energy: 1.2077550332304208
Energy: 1.1621249063614427
Energy: 1.2077550332316127
Energy: 1.1813724453476226
Energy: 1.2077550332316127
Energy: 1.0466092184046283
Energy: 1.1810558496130854
Energy: 1.567213546299867
Energy: 1.1810558496101053
Energy: 1.0466092184052243
Energy: 1.1810558496101053
Energy: 1.1655094783370858
Energy: 1.2087875165559108
Energy: 1.188737058016552
Energy: 1.208787516556507
Energy: 1.1655094783376818
Energy: 1.208787516556507
Energy: 0.9296588319191329
Energy: 1.0622363653967606
Energy: 1.8709646224261722
Energy: 1.0622363653955684
Energy: 0.9296588319179409
Energy: 1.0622363653949727
Energy: 0.9439639983518509
Energy: 1.2081545580644484
Energy: 1.1623808330948802
Energy: 1.2081545580644484
Energy: 0.9439639983518509
Energy: 1.2081545580638526
Energy: 1.0460723552149684
Energy: 1.1872901439474661
Energy: 1.4154110011169787
Energy: 1.187290143946274
Energy: 1.046072355214372
Energy: 1.1872901439468702
Energy: 0.9338878834133981
Energy: 1.2084962490245794
Energy: 0.9447016524725603
Energy: 1.2084962490245794
Energy: 0.9338878834145901
Energy: 1.2084962490245794
Energy: 0.9298133799483075
Energy: 1.1949690266128132
Energy: 1.4213723850452864
Energy: 1.1949690266134094
Energy: 0.9298133799483075
Energy: 1.1949690266140054
Energy: 0.9332323822889385
Energy: 1.2082873411030892
Energy: 0.9310856190239006
Energy: 1.2082873411030892
Energy: 0.9332323822907266
Energy: 1.2082873411024933

minimum gb energy = 0.9296449347530099 eV
minimum distance =  2.27114433154025 Angstroms
sigma value = 67


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

Energy: 0.32007920274409585
Energy: 0.29051504045776666
Energy: 0.2752793940243615
Energy: 0.2905150404589436
Energy: 0.32007920274409585
Energy: 0.2905150404589436
Energy: 0.27511611836661537
Energy: 0.7531371761392888
Energy: 0.6556580406220709
Energy: 0.7531371761392888
Energy: 0.27511611836661537
Energy: 0.7531371761392888
Energy: 0.32007920274328105
Energy: 0.29051504045776666
Energy: 0.2752793940175715
Energy: 0.290515040459351
Energy: 0.32007920274328105
Energy: 0.290515040459351
Energy: 0.275116118366208
Energy: 0.7531371761388813
Energy: 0.6569387672050232
Energy: 0.7531371761388813
Energy: 0.275116118366208
Energy: 0.7531371761388813
Energy: 0.32007920274368845
Energy: 0.29051504045776666
Energy: 0.27527939400684337
Energy: 0.2905150404589436
Energy: 0.32007920274368845
Energy: 0.2905150404589436
Energy: 0.27511611836661537
Energy: 0.7531371761392888
Energy: 0.6556584609160222
Energy: 0.7531371761392888
Energy: 0.27511611836661537
Energy: 0.7531371761392888
Energy: 0.32007920274368845
Energy: 0.29051504045776666
Energy: 0.27527939400086815
Energy: 0.2905150404589436
Energy: 0.32007920274328105
Energy: 0.290515040459351

minimum gb energy = 0.275116118366208 eV
minimum distance =  2.42092280625742 Angstroms
sigma value = 3


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

Energy: 1.53247936340456
Energy: 1.2066813914229144
Energy: 1.2549285603658753
Energy: 1.2066813914191197
Energy: 1.532479363404018
Energy: 1.2066813914191197
Energy: 1.7187502483934205
Energy: 0.9157120870921623
Energy: 0.8999638662718066
Energy: 0.9157120870916201
Energy: 1.7187502483945045
Energy: 0.9157120870910781
Energy: 1.3892380483023201
Energy: 1.1868630244927454
Energy: 1.1779460132824358
Energy: 1.1868630244922034
Energy: 1.3892380483050306
Energy: 1.1868630244922034
Energy: 1.7014341284920533
Energy: 0.8999275960057974
Energy: 0.9051270774745509
Energy: 0.8999275960025449
Energy: 1.7014341284925953
Energy: 0.8999275960041712
Energy: 1.2467944550156234
Energy: 1.1769406749963818
Energy: 0.8936130811519166
Energy: 1.1769406749963818
Energy: 1.2467944550156234
Energy: 1.1769406749963818
Energy: 1.482276991809812
Energy: 1.1253600365593686
Energy: 0.9673930935740385
Energy: 1.1253600365588265
Energy: 1.4822769918125223
Energy: 1.1253600365588265
Energy: 1.1120675132788218
Energy: 1.1691448923612122
Energy: 1.0410443744206694
Energy: 1.1691448923617542
Energy: 1.1120675132728592
Energy: 1.1691448923617542
Energy: 1.3528476826375164
Energy: 1.1416734798275878
Energy: 0.9754093338441062
Energy: 1.1416734798281298
Energy: 1.3528476826380587
Energy: 1.1416734798281298
Energy: 0.9867981232657855
Energy: 0.9714621725851114
Energy: 1.2957977153467513
Energy: 0.9714621725910743
Energy: 0.9867981232668697
Energy: 0.9714621725905321
Energy: 1.2187248061399634
Energy: 1.1547074407365507
Energy: 1.2142794652175397
Energy: 1.1547074407327564
Energy: 1.2187248061421316
Energy: 1.1547074407327564
Energy: 0.9227477714571477
Energy: 1.1506629398408923
Energy: 1.3533333190609949
Energy: 1.1506629398446868
Energy: 0.9227477714533532
Energy: 1.1506629398441448
Energy: 1.1663024829624413
Energy: 1.168011021880883
Energy: 1.2295605587191856
Energy: 1.1680110218825093
Energy: 1.1663024829629831
Energy: 1.1680110218819673
Energy: 0.9161345640429377
Energy: 0.9030697482370185
Energy: 1.487125415465407
Energy: 0.9030697482359343
Energy: 0.9161345640467323
Energy: 0.9030697482364766
Energy: 1.0946458029159272
Energy: 1.1775517665126753
Energy: 1.4825074297949619
Energy: 1.1775517665077964
Energy: 1.0946458029197215
Energy: 1.1775517665077964
Energy: 0.9704945209307979
Energy: 1.132243589215082
Energy: 1.5550684688430467
Energy: 1.132243589215082
Energy: 0.9704945209335083
Energy: 1.132243589215082
Energy: 0.896859578599034
Energy: 1.1806719235017291
Energy: 1.4417595459090793
Energy: 1.1806719235055236
Energy: 0.896859578599034
Energy: 1.1806719235055236
Energy: 0.9131669671941411
Energy: 1.094696480234242
Energy: 1.6829136180209845
Energy: 1.094696480232616
Energy: 0.9131669671908886
Energy: 1.094696480232616
Energy: 0.904681860675029
Energy: 1.1773508476220014
Energy: 1.4959612738559207
Energy: 1.1773508476236276
Energy: 0.9046818606761132
Energy: 1.1773508476236276
Energy: 1.027433819454955
Energy: 1.1690159382323915
Energy: 1.4761969006657485
Energy: 1.1690159382329335
Energy: 1.0274338194522445
Energy: 1.1690159382323915
Energy: 0.9665859544580986
Energy: 1.180546402872821
Energy: 1.2299127851217935
Energy: 1.1805464028706527
Energy: 0.9665859544570143
Energy: 1.1805464028706527
Energy: 0.9694160951658133
Energy: 1.161031687570133
Energy: 1.4136653446371086
Energy: 1.161031687564712
Energy: 0.9694160951647292
Energy: 1.161031687564712
Energy: 0.9745227251546774
Energy: 1.1730235259831585
Energy: 1.2141189852560799
Energy: 1.1730235259880373
Energy: 0.9745227251546774
Energy: 1.1730235259880373
Energy: 1.2034876355566657
Energy: 1.1583425973518775
Energy: 1.2121975259225048
Energy: 1.1583425973583332
Energy: 1.2034876355588338
Energy: 1.1583425973583332
Energy: 1.2080357084983788
Energy: 1.18059771334825
Energy: 0.9754540523714572
Energy: 1.1805977133477077
Energy: 1.2080357084967526
Energy: 1.1805977133471657
Energy: 1.2080247349117854
Energy: 1.174349837999561
Energy: 1.0831517661019088
Energy: 1.1743498380055242
Energy: 1.2080247349144957
Energy: 1.174349838004982
Energy: 1.2244805018382485
Energy: 1.1729318844843526
Energy: 0.967337102660986
Energy: 1.1729318844832683
Energy: 1.2244805018377065
Energy: 1.1729318844832683
Energy: 1.4753107906097243
Energy: 1.1713322540201674
Energy: 0.9572692563645815
Energy: 1.1713322540228779
Energy: 1.4753107906075555
Energy: 1.1713322540223357
Energy: 1.4856943925201365
Energy: 1.1804755201691073
Energy: 0.9050465665137869
Energy: 1.180475520166939
Energy: 1.4856943925190524
Energy: 1.180475520166939
Energy: 1.4830548391737874
Energy: 1.1665236958592975
Energy: 1.02347829748435
Energy: 1.1665236958641763
Energy: 1.4830548391754137
Energy: 1.1665236958641763
Energy: 1.504311888640343
Energy: 1.175307578189132
Energy: 0.9076028663355931
Energy: 1.1753075781853375
Energy: 1.504311888639801
Energy: 1.1753075781858795
Energy: 1.7514248277720923
Energy: 1.1734621046375737
Energy: 0.9046498975512977
Energy: 1.1734621046386577
Energy: 1.7514248277731765
Energy: 1.1734621046392
Energy: 1.4856780276687855
Energy: 1.1773882562333156
Energy: 1.0872541024420614
Energy: 1.1773882562311473
Energy: 1.4856780276677013
Energy: 1.1773882562316893
Energy: 1.483297350565526
Energy: 1.153164483880747
Energy: 0.9037843418262093
Energy: 1.1531644838704476
Energy: 1.483297350565526
Energy: 1.1531644838704476
Energy: 1.2241789521579631
Energy: 1.1680900392860305
Energy: 0.9549331705180981
Energy: 1.1680900392936198
Energy: 1.2241789521579631
Energy: 1.1680900392936198
Energy: 1.4755244821254685
Energy: 1.1742013212495985
Energy: 0.9709946799048459
Energy: 1.1742013212495985
Energy: 1.4755244821260105
Energy: 1.1742013212495985
Energy: 1.2079133983116725
Energy: 1.1545731603774927
Energy: 1.2162750623868785
Energy: 1.1545731603753242
Energy: 1.2079133983105883
Energy: 1.1545731603747824
Energy: 1.2081153107066733
Energy: 1.1528668245913694
Energy: 0.9779859408572648
Energy: 1.1528668245902853
Energy: 1.2081153107072151
Energy: 1.1528668245908276
Energy: 0.974414317390133
Energy: 1.1578900476362906
Energy: 1.2106602900171257
Energy: 1.1578900476362906
Energy: 0.9744143173890488
Energy: 1.1578900476362906
Energy: 1.2034070164398705
Energy: 1.1744971994310405
Energy: 1.2193633802212105
Energy: 1.174497199427788
Energy: 1.2034070164387862
Energy: 1.1744971994283302
Energy: 0.9664280996158876
Energy: 1.124689974210817
Energy: 1.4806144558097039
Energy: 1.124689974210817
Energy: 0.9664280996169717
Energy: 1.124689974210817
Energy: 0.9693783249621272
Energy: 1.1630235039043946
Energy: 1.234392979963369
Energy: 1.163023503908731
Energy: 0.9693783249626694
Energy: 1.163023503908731
Energy: 0.9044878358584855
Energy: 1.085013740905062
Energy: 1.4224992660802918
Energy: 1.0850137409088563
Energy: 0.9044878358590275
Energy: 1.0850137409083145
Energy: 0.9737691687950998
Energy: 1.1804590543826303
Energy: 1.4823534971165686
Energy: 1.180459054375041
Energy: 0.9737691687966766
Energy: 1.180459054375583
Energy: 0.911302529111915
Energy: 0.9060848130524958
Energy: 1.682536641451223
Energy: 0.9060848130579165
Energy: 0.9113025291146254
Energy: 0.9060848130579165
Energy: 0.9137567798467483
Energy: 1.1866718314672047
Energy: 1.4310511984112262
Energy: 1.186671831464494
Energy: 0.9137567798446293
Energy: 1.1866718314650364
Energy: 0.9045444636302721
Energy: 0.9078314482397355
Energy: 1.5549664230134352
Energy: 0.9078314482435301
Energy: 0.9045444636286458
Energy: 0.9078314482435301
Energy: 0.9725580870888761
Energy: 1.1801969556338323
Energy: 1.482430281121549
Energy: 1.180196955631122
Energy: 0.9725580870877919
Energy: 1.180196955631122
Energy: 0.9080289596667666
Energy: 0.9077840973704069
Energy: 1.6174131181652915
Energy: 0.9077840973687806
Energy: 0.9080289596662243
Energy: 0.9077840973687806
Energy: 0.9605797779179814
Energy: 1.1629037542187841
Energy: 1.2345396452286732
Energy: 1.1629037542209522
Energy: 0.9605797779190658
Energy: 1.1629037542209522
Energy: 0.9745795273111201
Energy: 1.1257782157953347
Energy: 1.2272514565366113
Energy: 1.1257782157996712
Energy: 0.9745795273089518
Energy: 1.1257782157991294
Energy: 1.2224026787011013
Energy: 1.1549782608657244
Energy: 1.2195310807970705
Energy: 1.1549782608695192
Energy: 1.2224026787016433
Energy: 1.154978260868977

minimum gb energy = 0.8936130811519166 eV
minimum distance =  2.30234763985044 Angstroms
sigma value = 81


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

Energy: 1.547105611113946
Energy: 1.3775860251416945
Energy: 1.3929388933836337
Energy: 1.3775860251416945
Energy: 1.547105611113946
Energy: 1.3775860251424388
Energy: 1.6249579186112904
Energy: 1.042037424630295
Energy: 1.0210454199717032
Energy: 1.0420374246310393
Energy: 1.6249579186105463
Energy: 1.0420374246310393
Energy: 1.4881355172259525
Energy: 1.3514559345190267
Energy: 1.1614041533114507
Energy: 1.3514559345205146
Energy: 1.4881355172266968
Energy: 1.3514559345205146
Energy: 1.4365590384908251
Energy: 1.01556127625429
Energy: 1.019037299992601
Energy: 1.015561276252058
Energy: 1.4365590384908251
Energy: 1.015561276252058
Energy: 1.1450267890225263
Energy: 1.3287581441590008
Energy: 1.0119151558351638
Energy: 1.3287581441642087
Energy: 1.1450267890225263
Energy: 1.3287581441642087
Energy: 1.2689040008880597
Energy: 1.3111209358392397
Energy: 1.1053945227349142
Energy: 1.3111209358384959
Energy: 1.2689040008880597
Energy: 1.3111209358384959
Energy: 1.1203279924829945
Energy: 1.3316706456928906
Energy: 1.1184421306279846
Energy: 1.3316706456914027
Energy: 1.1203279924837386
Energy: 1.3316706456914027
Energy: 1.0982724730550253
Energy: 1.307220914940016
Energy: 1.137096864596901
Energy: 1.3072209149422478
Energy: 1.0982724730550253
Energy: 1.3072209149422478
Energy: 1.030370180887537
Energy: 1.0147036600780168
Energy: 1.4710112801066513
Energy: 1.0147036600757848
Energy: 1.030370180886049
Energy: 1.0147036600757848
Energy: 1.1203213108333403
Energy: 1.3366711246066039
Energy: 1.4518966608114812
Energy: 1.3366711246028837
Energy: 1.1203213108348284
Energy: 1.3366711246028837
Energy: 1.023913964763839
Energy: 1.0082885821512149
Energy: 1.5537744702424154
Energy: 1.008288582154191
Energy: 1.023913964762351
Energy: 1.0082885821534466
Energy: 1.0113240530124399
Energy: 1.3438907580914792
Energy: 1.425043653421363
Energy: 1.343890758092967
Energy: 1.0113240530116956
Energy: 1.343890758092967
Energy: 1.0212489154033797
Energy: 1.2624750764497747
Energy: 1.5536520843717714
Energy: 1.2624750764512627
Energy: 1.021248915405612
Energy: 1.2624750764505188
Energy: 1.108982623617564
Energy: 1.3368083666631936
Energy: 1.4518009354855528
Energy: 1.3368083666617057
Energy: 1.108982623617564
Energy: 1.3368083666617057
Energy: 1.1095148314708718
Energy: 1.2706887857067422
Energy: 1.4394785668256034
Energy: 1.2706887857089741
Energy: 1.109514831471616
Energy: 1.2706887857089741
Energy: 1.1034228992240085
Energy: 1.3448400628585648
Energy: 1.137143653628511
Energy: 1.344840062857077
Energy: 1.1034228992240085
Energy: 1.344840062857077
Energy: 1.1031380397892951
Energy: 1.3115371222393366
Energy: 1.3697140588030134
Energy: 1.3115371222408247
Energy: 1.1031380397885509
Energy: 1.3115371222408247
Energy: 1.4369765727915158
Energy: 1.3256220874844562
Energy: 1.1052993562851872
Energy: 1.3256220874837124
Energy: 1.4369765727907715
Energy: 1.3256220874837124
Energy: 1.4369660714182584
Energy: 1.3404104378176027
Energy: 1.093166876719948
Energy: 1.3404104378161148
Energy: 1.4369660714197463
Energy: 1.3404104378161148
Energy: 1.452731627203108
Energy: 1.3450108726112429
Energy: 1.0192220927262894
Energy: 1.3450108726134746
Energy: 1.4527316272023636
Energy: 1.3450108726134746
Energy: 1.4525790044844888
Energy: 1.3363509599935408
Energy: 1.180474874384838
Energy: 1.336350959995029
Energy: 1.4525790044844888
Energy: 1.336350959995029
Energy: 1.8201538000036146
Energy: 1.270998650385667
Energy: 1.0206775477831374
Energy: 1.270998650383435
Energy: 1.8201538000028705
Energy: 1.270998650383435
Energy: 1.8201694850958507
Energy: 1.3251226115404826
Energy: 1.0177036434912972
Energy: 1.3251226115419705
Energy: 1.8201694850965946
Energy: 1.3251226115419705
Energy: 1.4526195884107025
Energy: 1.3357778479474347
Energy: 1.1777362486166525
Energy: 1.3357778479481786
Energy: 1.4526195884114461
Energy: 1.3357778479474347
Energy: 1.4528503376306785
Energy: 1.3451345051576449
Energy: 1.0261703895191798
Energy: 1.3451345051561567
Energy: 1.4528503376299347
Energy: 1.3451345051561567
Energy: 1.4369509913743577
Energy: 1.3400444639258402
Energy: 1.093242910942445
Energy: 1.3400444639243523
Energy: 1.4369509913736136
Energy: 1.3400444639243523
Energy: 1.4370533771105451
Energy: 1.325791380203353
Energy: 1.1052652226844804
Energy: 1.3257913802048409
Energy: 1.4370533771105451
Energy: 1.3257913802048409
Energy: 1.103014131523482
Energy: 1.3112688405826147
Energy: 1.2623767000614123
Energy: 1.3112688405841026
Energy: 1.1030141315205062
Energy: 1.3112688405841026
Energy: 1.1032172305108836
Energy: 1.3448654933445576
Energy: 1.1388310977735756
Energy: 1.3448654933482775
Energy: 1.1032172305108836
Energy: 1.3448654933482775
Energy: 1.1063049684110227
Energy: 1.2706887857089741
Energy: 1.4400277995382496
Energy: 1.27068878570823
Energy: 1.1063049684110227
Energy: 1.27068878570823
Energy: 1.108734748710979
Energy: 1.337204954170918
Energy: 1.451566490071644
Energy: 1.337204954170918
Energy: 1.1087347487117232
Energy: 1.337204954170918
Energy: 1.021005566858535
Energy: 1.1570361626802503
Energy: 1.5694751688974486
Energy: 1.1570361626824823
Energy: 1.021005566858535
Energy: 1.1570361626824823
Energy: 1.0207813358802282
Energy: 1.3440007140599926
Energy: 1.424838475672707
Energy: 1.3440007140592485
Energy: 1.0207813358794846
Energy: 1.3440007140592485
Energy: 1.02427893476762
Energy: 1.0157766822556809
Energy: 1.553395178029665
Energy: 1.0157766822519607
Energy: 1.024278934768364
Energy: 1.0157766822519607
Energy: 1.1203213108378043
Energy: 1.3372575247629328
Energy: 1.4515886657396322
Energy: 1.3372575247644207
Energy: 1.1203213108385481
Energy: 1.3372575247644207
Energy: 1.0306321858228624
Energy: 1.0154417349293874
Energy: 1.4625222521217847
Energy: 1.0154417349331073
Energy: 1.0306321858236067
Energy: 1.0154417349331073
Energy: 1.0965452055227072
Energy: 1.307599260264023
Energy: 1.1370388959533635
Energy: 1.307599260264767
Energy: 1.0965452055212193
Energy: 1.307599260264767
Energy: 1.1204589820944837
Energy: 1.3293717038969979
Energy: 1.2766262633096033
Energy: 1.3293717038940558
Energy: 1.1204589820929958
Energy: 1.3293717038940558

minimum gb energy = 1.0082885821512149 eV
minimum distance =  2.20168952164172 Angstroms
sigma value = 43


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

Energy: 1.5790024323836989
Energy: 1.4716534353861415
Energy: 1.2083240681696388
Energy: 1.4716534353861415
Energy: 1.5790024323827851
Energy: 1.4716534353861415
Energy: 1.505422051374468
Energy: 1.1562994981869141
Energy: 1.0974767683753865
Energy: 1.1562994981869141
Energy: 1.5054220513753818
Energy: 1.1562994981869141
Energy: 1.1558022104133856
Energy: 1.4511397979729341
Energy: 1.088012286653445
Energy: 1.451139797973848
Energy: 1.1558022104124714
Energy: 1.451139797973848
Energy: 1.5279015934586815
Energy: 1.1022953172458354
Energy: 1.0973290219304002
Energy: 1.1022953172449215
Energy: 1.5279015934586815
Energy: 1.1022953172449215
Energy: 1.1188364045592218
Energy: 1.4648753358414617
Energy: 1.0914110893033504
Energy: 1.4648753358414617
Energy: 1.1188364045592218
Energy: 1.4648753358414617
Energy: 1.0872804450594844
Energy: 1.4394083670251776
Energy: 1.0959213862152353
Energy: 1.4394083670251776
Energy: 1.0872804450594844
Energy: 1.4394083670251776
Energy: 1.0930631408613753
Energy: 1.0959555350572259
Energy: 1.3032266644459014
Energy: 1.0959555350572259
Energy: 1.0930631408613753
Energy: 1.0959555350572259
Energy: 1.1363061741409142
Energy: 1.4248072766694635
Energy: 1.1294693844234396
Energy: 1.4248072766694635
Energy: 1.1363061741409142
Energy: 1.4248072766694635
Energy: 1.0996513930106542
Energy: 1.292810752501675
Energy: 1.5738996285602174
Energy: 1.292810752501675
Energy: 1.0996513930106542
Energy: 1.292810752501675
Energy: 1.0998598104493862
Energy: 1.4508325719492472
Energy: 1.5350538516883574
Energy: 1.4508325719492472
Energy: 1.0998598104493862
Energy: 1.4508325719492472
Energy: 1.093182046343563
Energy: 1.4640416736957158
Energy: 1.3029747740670805
Energy: 1.4640416736957158
Energy: 1.093182046343563
Energy: 1.4640416736957158
Energy: 1.0875794423824436
Energy: 1.4248727216982453
Energy: 1.1345283697419932
Energy: 1.4248727216982453
Energy: 1.0875794423833571
Energy: 1.4248727216982453
Energy: 1.0998453805766673
Energy: 1.0889299818004312
Energy: 1.2961514043619196
Energy: 1.0889299818004312
Energy: 1.0998453805766673
Energy: 1.0889299818004312
Energy: 1.0950531257141682
Energy: 1.452083677687714
Energy: 1.0961299946161118
Energy: 1.452083677687714
Energy: 1.0950531257159961
Energy: 1.452083677687714
Energy: 1.093367179409087
Energy: 1.4390945007525497
Energy: 1.087753277345507
Energy: 1.4390945007525497
Energy: 1.093367179410001
Energy: 1.4390945007525497
Energy: 1.5058231701740596
Energy: 1.2708925134425877
Energy: 1.0975867235156478
Energy: 1.270892513441674
Energy: 1.5058231701731455
Energy: 1.270892513441674
Energy: 1.5079691746289965
Energy: 1.4244215876090731
Energy: 1.4270278415733975
Energy: 1.4244215876090731
Energy: 1.5079691746280826
Energy: 1.4244215876090731
Energy: 1.5350245788402983
Energy: 1.4606413004366863
Energy: 1.100255125885538
Energy: 1.460641300438514
Energy: 1.5350245788393846
Energy: 1.460641300438514
Energy: 1.5357365360642068
Energy: 1.4514093231886553
Energy: 1.101234795912394
Energy: 1.4514093231877414
Energy: 1.5357365360642068
Energy: 1.4514093231877414
Energy: 1.5057825214302816
Energy: 1.467298751598496
Energy: 1.0973723013049612
Energy: 1.467298751598496
Energy: 1.5057825214302816
Energy: 1.467298751598496
Energy: 1.5079191823093596
Energy: 1.4898926989214902
Energy: 1.0952017621031656
Energy: 1.4898926989214902
Energy: 1.5079191823093596
Energy: 1.4898926989214902
Energy: 1.09487039045325
Energy: 1.4396338323625253
Energy: 1.0888580400496473
Energy: 1.4396338323616114
Energy: 1.09487039045325
Energy: 1.4396338323616114
Energy: 1.0936857908412843
Energy: 1.4514661601774643
Energy: 1.0943961122458061
Energy: 1.4514661601765508
Energy: 1.0936857908421977
Energy: 1.4514661601774643
Energy: 1.088315262777082
Energy: 1.46382562213386
Energy: 1.097976211228131
Energy: 1.46382562213386
Energy: 1.088315262777082
Energy: 1.46382562213386
Energy: 1.1095974495346574
Energy: 1.4898986759150559
Energy: 1.13217383566868
Energy: 1.48989867591597
Energy: 1.1095974495346574
Energy: 1.48989867591597
Energy: 1.093752230565422
Energy: 1.4641454434732908
Energy: 1.5066381013154968
Energy: 1.4641454434723769
Energy: 1.0937522305645078
Energy: 1.4641454434723769
Energy: 1.099897575425368
Energy: 1.451465268691529
Energy: 1.5375372574022665
Energy: 1.451465268692443
Energy: 1.099897575425368
Energy: 1.451465268692443
Energy: 1.102021850525206
Energy: 1.4491662590402492
Energy: 1.36203981842629
Energy: 1.4491662590402492
Energy: 1.102021850524292
Energy: 1.4491662590402492
Energy: 1.1390107895418515
Energy: 1.4244234148345778
Energy: 1.1322079507984288
Energy: 1.4244234148345778
Energy: 1.1390107895418515
Energy: 1.4244234148345778
Energy: 1.0938278096507457
Energy: 1.0947254943350917
Energy: 1.3029832725563393
Energy: 1.0947254943360056
Energy: 1.0938278096507457
Energy: 1.0947254943360056
Energy: 1.0900550418137456
Energy: 1.4392128854293278
Energy: 1.0943469935356493
Energy: 1.4392128854284139
Energy: 1.0900550418137456
Energy: 1.4392128854284139

minimum gb energy = 1.0872804450594844 eV
minimum distance =  2.27301472419608 Angstroms
sigma value = 57


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

Energy: 1.282421387515418
Energy: 1.6389452082056783
Energy: 1.1984288655781319
Energy: 1.6389452082044953
Energy: 1.282421387515418
Energy: 1.6389452082044953
Energy: 1.5017611179468138
Energy: 1.2666000119322838
Energy: 1.1946943142669841
Energy: 1.2666000119322838
Energy: 1.5017611179479973
Energy: 1.2666000119322838
Energy: 1.218929325113479
Energy: 1.6393226378751398
Energy: 1.3878138486511125
Energy: 1.6393226378751398
Energy: 1.2189293251146622
Energy: 1.6393226378751398
Energy: 1.2101181865907495
Energy: 1.2060314169798905
Energy: 1.196172812566849
Energy: 1.2060314169798905
Energy: 1.2101181865907495
Energy: 1.2060314169798905
Energy: 1.1902395248014235
Energy: 1.224980256026896
Energy: 1.2109906208442436
Energy: 1.224980256026896
Energy: 1.1902395248014235
Energy: 1.224980256026896
Energy: 1.2021612696531179
Energy: 1.6238985920628835
Energy: 1.195462120750806
Energy: 1.6238985920628835
Energy: 1.2021612696531179
Energy: 1.6238985920628835
Energy: 1.2050738049700034
Energy: 1.442599829210068
Energy: 1.5073364387500092
Energy: 1.442599829210068
Energy: 1.20507380496882
Energy: 1.442599829210068
Energy: 1.208406556186748
Energy: 1.6165897875842097
Energy: 1.2537778772869332
Energy: 1.6165897875842097
Energy: 1.208406556186748
Energy: 1.6165897875842097
Energy: 1.1906710242805167
Energy: 1.2710274388833676
Energy: 1.1927931550670738
Energy: 1.2710274388845508
Energy: 1.1906710242817
Energy: 1.2710274388845508
Energy: 1.1972505179494557
Energy: 1.6185373859739713
Energy: 1.195684074399141
Energy: 1.618537385972788
Energy: 1.1972505179494557
Energy: 1.618537385972788
Energy: 1.2053902212161816
Energy: 1.1991102148446176
Energy: 1.198544853976557
Energy: 1.1991102148434338
Energy: 1.2053902212173648
Energy: 1.1991102148434338
Energy: 1.194656743661477
Energy: 1.4253973359232497
Energy: 1.1962350714052001
Energy: 1.4253973359232497
Energy: 1.194656743661477
Energy: 1.4253973359232497
Energy: 1.190893943626936
Energy: 1.6259506838674702
Energy: 1.228788464796699
Energy: 1.6259506838686535
Energy: 1.1908939436257528
Energy: 1.6259506838686535
Energy: 1.4805821845694969
Energy: 1.632026580535142
Energy: 1.2038316804078764
Energy: 1.632026580535142
Energy: 1.4805821845694969
Energy: 1.632026580535142
Energy: 1.767809421504033
Energy: 1.6156058218380558
Energy: 1.2035432841027676
Energy: 1.6156058218392388
Energy: 1.7678094215028766
Energy: 1.6156058218392388
Energy: 1.1942085443423507
Energy: 1.644689702451731
Energy: 1.1956728168519906
Energy: 1.6446897024529143
Energy: 1.194208544343534
Energy: 1.6446897024529143
Energy: 1.1912323581554065
Energy: 1.4289224996757814
Energy: 1.2062277055830835
Energy: 1.4289224996757814
Energy: 1.1912323581554065
Energy: 1.4289224996757814
Energy: 1.1967237127523338
Energy: 1.6448432276600746
Energy: 1.1968687903375324
Energy: 1.6448432276600746
Energy: 1.1967237127523338
Energy: 1.6057120972985566
Energy: 1.2062333254358542
Energy: 1.4290217520056856
Energy: 1.1912323900219512
Energy: 1.4290217520068689
Energy: 1.2062333254358542
Energy: 1.4290217520068689
Energy: 1.1956767755218674
Energy: 1.6446845508796253
Energy: 1.1942078264600147
Energy: 1.6446845508808083
Energy: 1.1956767755218674
Energy: 1.6446845508808083
Energy: 1.2035006006953477
Energy: 1.6157199313231663
Energy: 1.7676504058263078
Energy: 1.615719931321983
Energy: 1.2035006006953477
Energy: 1.615719931321983
Energy: 1.203881972004823
Energy: 1.4416365620079576
Energy: 1.480483831654626
Energy: 1.4416365620091411
Energy: 1.2038819720024565
Energy: 1.4444052748488208
Energy: 1.2701418512550762
Energy: 1.6259555950644622
Energy: 1.1908768983064553
Energy: 1.6259555950632791
Energy: 1.2701418512538931
Energy: 1.6259555950632791
Energy: 1.1962431894013263
Energy: 1.425367894785294
Energy: 1.1941940633158583
Energy: 1.425367894786477
Energy: 1.1962431894013263
Energy: 1.425367894785294

minimum gb energy = 1.1902395248014235 eV
minimum distance =  2.2727490011349 Angstroms
sigma value = 17


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

Energy: 1.3401324353259445
Energy: 1.3294391993502694
Energy: 1.3428616736830272
Energy: 1.3294391993502694
Energy: 1.3401324353242707
Energy: 1.3294391993502694
Energy: 1.3538443328693408
Energy: 1.328923655193976
Energy: 1.3303663524216445
Energy: 1.328923655193976
Energy: 1.3538443328676675
Energy: 1.328923655193976
Energy: 1.3550969306857323
Energy: 1.3432376299635778
Energy: 1.5349621812788785
Energy: 1.3432376299635778
Energy: 1.3550969306857323
Energy: 1.3432376299635778
Energy: 1.3429771879329004
Energy: 1.327762980336785
Energy: 1.3267727804178011
Energy: 1.327762980336785
Energy: 1.3429771879329004
Energy: 1.327762980336785
Energy: 1.3282700584191443
Energy: 1.3282024402220185
Energy: 1.3577261240372325
Energy: 1.3282024402220185
Energy: 1.3282700584191443
Energy: 1.3282024402220185
Energy: 1.336243929201773
Energy: 1.3197359298508353
Energy: 1.3165448096882535
Energy: 1.3197359298508353
Energy: 1.3362439292000996
Energy: 1.3197359298508353
Energy: 1.3414113574163766
Energy: 1.4777743829018815
Energy: 1.3541886925974729
Energy: 1.4777743829018815
Energy: 1.3414113574163766
Energy: 1.4777743829018815
Energy: 1.3338688966249241
Energy: 1.4492351393852994
Energy: 1.3267641310158367
Energy: 1.4492351393852994
Energy: 1.3338688966249241
Energy: 1.4492351393852994
Energy: 1.3282588030974274
Energy: 1.3264456399894307
Energy: 1.3829626004588693
Energy: 1.3264456399894307
Energy: 1.3282588030974274
Energy: 1.3264456399894307
Energy: 1.3169374219918
Energy: 1.3040321708547118
Energy: 1.3302170119779484
Energy: 1.3040321708547118
Energy: 1.3169374219918
Energy: 1.3040321708547118
Energy: 1.3177275895171963
Energy: 1.3283103547168094
Energy: 1.3331291388807998
Energy: 1.3283103547151358
Energy: 1.3177275895171963
Energy: 1.3283103547151358
Energy: 1.3264873189242778
Energy: 1.3285018168764384
Energy: 1.3323162451781718
Energy: 1.328501816874765
Energy: 1.3264873189242778
Energy: 1.328501816874765
Energy: 1.328324210861784
Energy: 1.4506981107187351
Energy: 1.3283230674279465
Energy: 1.4506981107187351
Energy: 1.328324210861784
Energy: 1.4506981107187351
Energy: 1.3267827147878448
Energy: 1.3266136518116585
Energy: 1.3263737930886152
Energy: 1.3266136518116585
Energy: 1.3267827147878448
Energy: 1.3266136518116585
Energy: 1.330125892123299
Energy: 1.432240016211632
Energy: 1.3168792464437522
Energy: 1.432240016211632
Energy: 1.330125892123299
Energy: 1.432240016211632
Energy: 1.3329851288956218
Energy: 1.328270234889933
Energy: 1.319354673727853
Energy: 1.328270234889933
Energy: 1.3329851288956218
Energy: 1.3282702348916062
Energy: 1.3338730977935016
Energy: 1.327148624691315
Energy: 1.3288830680299515
Energy: 1.327148624691315
Energy: 1.3338730977951752
Energy: 1.327148624691315

minimum gb energy = 1.3040321708547118 eV
minimum distance =  2.27086689321172 Angstroms
sigma value = 17


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

Energy: 1.8106551697596271
Energy: 1.8838252000893443
Energy: 1.646345485165158
Energy: 1.8838252000893443
Energy: 1.810655169758981
Energy: 1.8838252000886984
Energy: 1.607006736752425
Energy: 1.3651801329962818
Energy: 1.351678856085842
Energy: 1.365180132996928
Energy: 1.6070067367530712
Energy: 1.3651801329962818
Energy: 1.3576523544022148
Energy: 1.4239800739555657
Energy: 1.3797513009700062
Energy: 1.4239800739549195
Energy: 1.3576523544035073
Energy: 1.4239800739549195
Energy: 1.3948922028780033
Energy: 1.7014957180125454
Energy: 1.4203598653415914
Energy: 1.7014957180125454
Energy: 1.3948922028773574
Energy: 1.701495718013838
Energy: 1.3575115445871737
Energy: 1.4134237853393519
Energy: 1.6316935739869267
Energy: 1.413423785338706
Energy: 1.3575115445878199
Energy: 1.413423785338706
Energy: 1.429314836329565
Energy: 1.7112345184227005
Energy: 1.443303178597314
Energy: 1.7112345184214082
Energy: 1.429314836329565
Energy: 1.7112345184214082
Energy: 1.3485284701596725
Energy: 1.4303103135515414
Energy: 1.5793382823405573
Energy: 1.4303103135515414
Energy: 1.3485284701616111
Energy: 1.4303103135515414
Energy: 1.7498387049316702
Energy: 1.53168695280618
Energy: 1.3530181425588574
Energy: 1.5316869528074724
Energy: 1.7498387049336086
Energy: 1.5316869528055337
Energy: 1.4411845633041924
Energy: 1.7113343217975467
Energy: 1.3757260682961425
Energy: 1.7113343217969006
Energy: 1.4411845633041924
Energy: 1.7113343217969006
Energy: 1.7500806198889265
Energy: 1.4162714353110775
Energy: 1.3462500245767581
Energy: 1.4162714353110775
Energy: 1.7500806198882801
Energy: 1.4162714353110775
Energy: 1.417329862176667
Energy: 1.7327108107035198
Energy: 1.4215708251434855
Energy: 1.732710810704166
Energy: 1.417329862176667
Energy: 1.732710810704166
Energy: 1.3645825604990158
Energy: 1.7130798341697047
Energy: 1.35283295072289
Energy: 1.713079834170351
Energy: 1.3645825604990158
Energy: 1.713079834170351
Energy: 1.3548699407428577
Energy: 1.5313777841493814
Energy: 1.7629606062517222
Energy: 1.5313777841500273
Energy: 1.3548699407435036
Energy: 1.5313777841506737
Energy: 1.3671681559653914
Energy: 1.6877374911351524
Energy: 1.7955024585972696
Energy: 1.6877374911351524
Energy: 1.3671681559653914
Energy: 1.6877374911351524
Energy: 1.3657056332766904
Energy: 1.7626836061798583
Energy: 1.4212612576461565
Energy: 1.7626836061805045
Energy: 1.3657056332760444
Energy: 1.7626836061805045
Energy: 1.4209616909027232
Energy: 1.6647697350034132
Energy: 1.3532560853653615
Energy: 1.6647697350047057
Energy: 1.4209616909020768
Energy: 1.6647697350034132
Energy: 1.4157867432775761
Energy: 1.7416503770458405
Energy: 1.3514358826553434
Energy: 1.7416503770464864
Energy: 1.4157867432795146
Energy: 1.7416503770464864
Energy: 1.77843401200972
Energy: 1.618157924383627
Energy: 1.3710391276836595
Energy: 1.6181579243829807
Energy: 1.7784340120071354
Energy: 1.6181579243829807
Energy: 1.6931952515750124
Energy: 1.6439371513391752
Energy: 1.3490364904354375
Energy: 1.6439371513385288
Energy: 1.693195251574366
Energy: 1.6439371513385288
Energy: 1.3518849806489284
Energy: 1.6301692847480826
Energy: 1.3518809522791548
Energy: 1.6301692847480826
Energy: 1.3518849806495747
Energy: 1.6301692847480826
Energy: 1.3489167354508127
Energy: 1.6439039545209957
Energy: 1.605086108053748
Energy: 1.6439039545203493
Energy: 1.3489167354501663
Energy: 1.6439039545203493
Energy: 1.371123468883538
Energy: 1.6184990383499478
Energy: 1.7785930400752643
Energy: 1.6184990383499478
Energy: 1.3711234688809533
Energy: 1.6184990383505942
Energy: 1.3577141075987258
Energy: 1.7416865452583616
Energy: 1.415781734072353
Energy: 1.7416865452583616
Energy: 1.3577141075980794
Energy: 1.7416865452583616
Energy: 1.3531507590858378
Energy: 1.768570959726856
Energy: 1.4211369038074724
Energy: 1.7685709597281483
Energy: 1.3531507590858378
Energy: 1.7685709597281483
Energy: 1.4220540212438473
Energy: 1.762832186070306
Energy: 1.3497896501731874
Energy: 1.762832186070306
Energy: 1.4220540212419088
Energy: 1.762832186070306
Energy: 1.7954485842057684
Energy: 1.6877336867877422
Energy: 1.367109361038022
Energy: 1.6877336867877422
Energy: 1.7954485842044758
Energy: 1.6877336867877422
Energy: 1.763321851435056
Energy: 1.5315344647778233
Energy: 1.3549051527183125
Energy: 1.5315344647791156
Energy: 1.763321851435056
Energy: 1.5315344647784694
Energy: 1.3529761954059705
Energy: 1.7130762212581818
Energy: 1.364662856822077
Energy: 1.7130762212594743
Energy: 1.3529761954053243
Energy: 1.7130762212594743
Energy: 1.4220446154974546
Energy: 1.7328237089743703
Energy: 1.4172462638413823
Energy: 1.7328237089750167
Energy: 1.4220446154974546
Energy: 1.7328237089750167
Energy: 1.346411960452703
Energy: 1.4075009080296295
Energy: 1.7503719644939901
Energy: 1.407500908028337
Energy: 1.346411960453349
Energy: 1.407500908028337
Energy: 1.3757423523460606
Energy: 1.7112132244493048
Energy: 1.4412148325288272
Energy: 1.7112132244493048
Energy: 1.3757423523460606
Energy: 1.7112132244493048
Energy: 1.3528488054956291
Energy: 1.5313458334548753
Energy: 1.7498107386295223
Energy: 1.5313458334555214
Energy: 1.3528488054943366
Energy: 1.5313458334548753
Energy: 1.5791317788993762
Energy: 1.4304837437337052
Energy: 1.34863968923085
Energy: 1.4304837437330593
Energy: 1.5791317788993762
Energy: 1.4304837437330593
Energy: 1.4431767613279542
Energy: 1.7111691202757295
Energy: 1.4293134127420233
Energy: 1.711169120276376
Energy: 1.443176761326662
Energy: 1.7111691202757295
Energy: 1.6315316961290904
Energy: 1.4134237853393519
Energy: 1.3575219658049833
Energy: 1.4134237853380596
Energy: 1.6315316961284443
Energy: 1.413423785338706
Energy: 1.4203725648130987
Energy: 1.7013166213721767
Energy: 1.3946135074566266
Energy: 1.7013166213708841
Energy: 1.4203725648130987
Energy: 1.7013166213708841
Energy: 1.3800585264992227
Energy: 1.4238998633739146
Energy: 1.3576655672321283
Energy: 1.4238998633739146
Energy: 1.3800585264985765
Energy: 1.4238998633739146
Energy: 1.3517035622698828
Energy: 1.365457102613198
Energy: 1.607040883517739
Energy: 1.3654571026138442
Energy: 1.351703562270529
Energy: 1.3654571026138442
Energy: 1.6303574283828515
Energy: 1.8838252000893443
Energy: 1.8106551697602733
Energy: 1.8838252000893443
Energy: 1.6303574283847904
Energy: 1.8838252000893443
Energy: 1.3516788560877806
Energy: 1.3651801329956357
Energy: 1.6070067367511325
Energy: 1.3651801329949895
Energy: 1.351678856085842
Energy: 1.3651801329956357
Energy: 1.3797513009751758
Energy: 1.423980073953627
Energy: 1.3576523544041537
Energy: 1.4239800739529809
Energy: 1.3797513009725912
Energy: 1.4239800739529809
Energy: 1.4203598653402991
Energy: 1.7014957180131915
Energy: 1.3948922028760649
Energy: 1.701495718011253
Energy: 1.4203598653402991
Energy: 1.7014957180131915
Energy: 1.6316935739882192
Energy: 1.413423785338706
Energy: 1.3575115445878199
Energy: 1.4134237853393519
Energy: 1.6316935739869267
Energy: 1.4134237853393519

minimum gb energy = 1.3462500245767581 eV
minimum distance =  2.24669555364638 Angstroms
sigma value = 57


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

Energy: 1.4885254528538097
Energy: 1.8495435738035313
Energy: 1.7080474916649389
Energy: 1.8495435737972181
Energy: 1.488525452855914
Energy: 1.8495435737972181
Energy: 1.433523178681055
Energy: 1.3634087676322277
Energy: 1.3630634958051087
Energy: 1.363408767638541
Energy: 1.4335231786852636
Energy: 1.363408767638541
Energy: 1.3477712495950545
Energy: 1.4697408445295483
Energy: 1.4166715036451534
Energy: 1.469740844528496
Energy: 1.3477712495940022
Energy: 1.4697408445295483
Energy: 1.4792482323119729
Energy: 1.445216229885806
Energy: 1.447997370331197
Energy: 1.4452162298889628
Energy: 1.4792482323119729
Energy: 1.4452162298900149
Energy: 1.3494369961823964
Energy: 1.4226253515871072
Energy: 1.4760194531174893
Energy: 1.4226253515839509
Energy: 1.3494369961834485
Energy: 1.4226253515839509
Energy: 1.4566050620684037
Energy: 1.4518118269934623
Energy: 1.4483298794673547
Energy: 1.451811826996619
Energy: 1.4566050620662991
Energy: 1.4518118269955667
Energy: 1.349499264232762
Energy: 1.4573118401290617
Energy: 1.372932517994539
Energy: 1.4573118401343224
Energy: 1.349499264233814
Energy: 1.4573118401343224
Energy: 1.7192005613737247
Energy: 1.3991962306551777
Energy: 1.363142398519976
Energy: 1.3991962306593861
Energy: 1.7192005613737247
Energy: 1.3991962306593861
Energy: 1.476897182578495
Energy: 1.8534847678785404
Energy: 1.3702418862009529
Energy: 1.853484767875384
Energy: 1.476897182578495
Energy: 1.853484767875384
Energy: 1.415406202384655
Energy: 1.3622894550827394
Energy: 1.3616688758511495
Energy: 1.3622894550869482
Energy: 1.415406202384655
Energy: 1.3622894550869482
Energy: 1.3494009723189209
Energy: 1.6114108320388827
Energy: 1.44179973288131
Energy: 1.6114108320451956
Energy: 1.349400972321025
Energy: 1.6114108320441434
Energy: 1.4206654060233177
Energy: 1.4424529040343341
Energy: 1.4423154847635211
Energy: 1.4424529040322296
Energy: 1.4206654060275263
Energy: 1.4424529040322296
Energy: 1.3508083532400958
Energy: 1.6461306724985996
Energy: 1.4417900587328063
Energy: 1.6461306724964953
Energy: 1.350808353239044
Energy: 1.6461306724964953
Energy: 1.4640540087871716
Energy: 1.5064334572255327
Energy: 1.4422465957129804
Energy: 1.506433457227637
Energy: 1.4640540087861196
Energy: 1.506433457227637
Energy: 1.3520606799194297
Energy: 1.4570954561306235
Energy: 1.370444957011098
Energy: 1.4570954561316758
Energy: 1.3520606799183779
Energy: 1.4570954561327278
Energy: 1.7194691284021029
Energy: 1.674028163936012
Energy: 1.361473326514604
Energy: 1.6740281639275947
Energy: 1.7194691284052595
Energy: 1.6740281639286467
Energy: 1.475167635282029
Energy: 1.6831188687104301
Energy: 1.3645344820906193
Energy: 1.683118868714639
Energy: 1.475167635282029
Energy: 1.6831188687177954
Energy: 1.4655493295611672
Energy: 1.4575016559154936
Energy: 1.3621731356887519
Energy: 1.457501655917598
Energy: 1.4655493295590627
Energy: 1.457501655917598
Energy: 1.3523352309331766
Energy: 1.6150406678002311
Energy: 1.4471926515505853
Energy: 1.6150406677949702
Energy: 1.3523352309321246
Energy: 1.6150406677928657
Energy: 1.4674811502594438
Energy: 1.6459645279888517
Energy: 1.4434725609055874
Energy: 1.6459645279909558
Energy: 1.4674811502594438
Energy: 1.6459645279899038
Energy: 1.3564047353211781
Energy: 1.6451837905803273
Energy: 1.4471729176604384
Energy: 1.6451837905803273
Energy: 1.3564047353232824
Energy: 1.645183790579275
Energy: 1.3551686631011906
Energy: 1.6193002051507914
Energy: 1.4433378983830174
Energy: 1.6193002051518435
Energy: 1.355168663103295
Energy: 1.6193002051518435
Energy: 1.3581338217687189
Energy: 1.4567767191912426
Energy: 1.3646320928011297
Energy: 1.456776719192295
Energy: 1.3581338217687189
Energy: 1.4567767191933472
Energy: 1.4763447226552726
Energy: 1.683209314969834
Energy: 1.3621571538094026
Energy: 1.683209314981408
Energy: 1.4763447226552726
Energy: 1.6832093149603644
Energy: 1.4800299909440244
Energy: 1.4723456672596453
Energy: 1.3613964237491558
Energy: 1.4723456672680628
Energy: 1.4800299909450765
Energy: 1.4723456672691149
Energy: 1.3548998772959964
Energy: 1.456657937009061
Energy: 1.36680198381723
Energy: 1.4566579369985395
Energy: 1.354899877299153
Energy: 1.4566579369985395
Energy: 1.358026503357068
Energy: 1.6193438859254856
Energy: 1.4416518234647346
Energy: 1.6193438859254856
Energy: 1.358026503357068
Energy: 1.6193438859244336

minimum gb energy = 1.3477712495940022 eV
minimum distance =  2.20773210357475 Angstroms
sigma value = 43


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

Energy: 1.5418684773695583
Energy: 1.8129685418345998
Energy: 1.5076851116559014
Energy: 1.812968541836133
Energy: 1.541868477370325
Energy: 1.812968541836133
Energy: 1.4590112051069268
Energy: 1.4212828608397339
Energy: 1.3950142878042784
Energy: 1.4212828608397339
Energy: 1.4590112051053934
Energy: 1.4212828608397339
Energy: 1.3963075524277344
Energy: 1.5193447997828184
Energy: 1.401357253002734
Energy: 1.5193447997820522
Energy: 1.3963075524269677
Energy: 1.5193447997820522
Energy: 1.5416552709187452
Energy: 1.787754960034801
Energy: 1.4990402285996451
Energy: 1.787754960034801
Energy: 1.5416552709202784
Energy: 1.787754960034801
Energy: 1.3948675150470224
Energy: 1.4797682495369606
Energy: 1.4981332415959951
Energy: 1.479768249537727
Energy: 1.3948675150470224
Energy: 1.479768249537727
Energy: 1.4864640558413345
Energy: 1.4950297091048361
Energy: 1.4035146876987232
Energy: 1.4950297091040696
Energy: 1.4864640558390345
Energy: 1.4950297091048361
Energy: 1.4040570540792707
Energy: 1.4868042326880004
Energy: 1.4204098398170786
Energy: 1.4868042326895337
Energy: 1.4040570540785042
Energy: 1.4868042326895337
Energy: 1.520890514073064
Energy: 1.483783904948661
Energy: 1.3970913644931373
Energy: 1.483783904948661
Energy: 1.5208905140722975
Energy: 1.483783904948661
Energy: 1.4964300132491504
Energy: 1.787850924992196
Energy: 1.5075561796741537
Energy: 1.787850924992196
Energy: 1.4964300132483837
Energy: 1.7878509249929624
Energy: 1.6176995712691304
Energy: 1.5092813637324638
Energy: 1.3963049050292329
Energy: 1.5092813637316973
Energy: 1.6176995712675974
Energy: 1.5092813637316973
Energy: 1.3961504136323715
Energy: 1.4507705179888537
Energy: 1.7159241154277214
Energy: 1.4507705179896204
Energy: 1.3961504136331382
Energy: 1.450770517990387
Energy: 1.420859303563991
Energy: 1.8137002031021674
Energy: 1.537125470809738
Energy: 1.8137002031037004
Energy: 1.4208593035632244
Energy: 1.8137002031037004
Energy: 1.3991359474939253
Energy: 1.420287165824319
Energy: 1.507261716978051
Energy: 1.420287165824319
Energy: 1.3991359474931588
Energy: 1.4202871658235523
Energy: 1.4948612182032368
Energy: 1.6046577434519513
Energy: 1.3965173517622753
Energy: 1.6046577434527176
Energy: 1.4948612182024703
Energy: 1.6046577434527176
Energy: 1.4948929464095844
Energy: 1.7885648195579713
Energy: 1.4254758188634227
Energy: 1.7885648195587376
Energy: 1.4948929464111178
Energy: 1.7885648195579713
Energy: 1.486534227362587
Energy: 1.5101233146941884
Energy: 1.3976033321297747
Energy: 1.5101233146934219
Energy: 1.4865342273610538
Energy: 1.5101233146934219
Energy: 1.4075622225293136
Energy: 1.6220027580778946
Energy: 1.4859108975863993
Energy: 1.6220027580778946
Energy: 1.4075622225277804
Energy: 1.6220027580778946
Energy: 1.4208277873436115
Energy: 1.4867097744911733
Energy: 1.4101306130461275
Energy: 1.4867097744911733
Energy: 1.420827787342845
Energy: 1.48670977449194
Energy: 1.4202247230252947
Energy: 1.5716528452897358
Energy: 1.494454161555625
Energy: 1.5716528452889689
Energy: 1.4202247230245282
Energy: 1.5716528452897358
Energy: 1.3974422388426047
Energy: 1.6757251345003212
Energy: 1.496244599626916
Energy: 1.6757251344987878
Energy: 1.397442238841838
Energy: 1.6757251344987878
Energy: 1.4024449750399555
Energy: 1.508635444531597
Energy: 1.420768703961677
Energy: 1.508635444531597
Energy: 1.4024449750399555
Energy: 1.508635444531597
Energy: 1.7241406423707786
Energy: 1.6081675703539504
Energy: 1.4012362404926244
Energy: 1.608167570353184
Energy: 1.7241406423769117
Energy: 1.608167570353184
Energy: 1.9442044472956541
Energy: 1.6571205627817165
Energy: 1.4279099486185534
Energy: 1.657120562780183
Energy: 1.9442044472956541
Energy: 1.657120562780183
Energy: 1.3974143939401056
Energy: 1.5088628397433264
Energy: 1.4252265379920597
Energy: 1.5088628397433264
Energy: 1.3974143939401056
Energy: 1.5088628397433264
Energy: 1.4024332630215233
Energy: 1.5180291226755007
Energy: 1.4944840770062868
Energy: 1.518029122674734
Energy: 1.4024332630192236
Energy: 1.5180291226762674
Energy: 1.428415517494955
Energy: 1.5391451851500526
Energy: 1.4944663372605769
Energy: 1.5391451851500526
Energy: 1.4284155174941886
Energy: 1.5391451851500526
Energy: 1.4313291685216345
Energy: 1.509600792794227
Energy: 1.4924241679373929
Energy: 1.509600792794227
Energy: 1.4313291685216345
Energy: 1.5096007927949935
Energy: 1.4901469724789307
Energy: 1.5000591308557454
Energy: 1.4898962589490807
Energy: 1.500059130854979
Energy: 1.4901469724796974
Energy: 1.5000591308557454
Energy: 1.4869660291738944
Energy: 1.5108448744900274
Energy: 1.4182758992776314
Energy: 1.5108448744900274
Energy: 1.4869660291738944
Energy: 1.5108448744900274
Energy: 1.4944270732100289
Energy: 1.539186437887399
Energy: 1.42844462686425
Energy: 1.539186437887399
Energy: 1.4944270732100289
Energy: 1.539186437887399
Energy: 1.4944794399363022
Energy: 1.5180372509285416
Energy: 1.4024674778047677
Energy: 1.5180372509285416
Energy: 1.4944794399355354
Energy: 1.5180372509285416
Energy: 1.4251623737683916
Energy: 1.5089527267500682
Energy: 1.3972531705697644
Energy: 1.5089527267493015
Energy: 1.4251623737699246
Energy: 1.5089527267493015
Energy: 1.4279001634231199
Energy: 1.6571037656472398
Energy: 1.734679619264394
Energy: 1.6571037656472398
Energy: 1.4279001634238864
Energy: 1.6571037656472398
Energy: 1.4010206549115451
Energy: 1.6081305877632235
Energy: 1.7243648429701584
Energy: 1.60813058776399
Energy: 1.4010206549115451
Energy: 1.60813058776399
Energy: 1.4209355979857106
Energy: 1.5082142407878922
Energy: 1.4025228358531292
Energy: 1.508214240788659
Energy: 1.4209355979857106
Energy: 1.508214240788659
Energy: 1.4962494373251176
Energy: 1.6761025595178745
Energy: 1.3973437072040014
Energy: 1.6761025595163412
Energy: 1.4962494373258843
Energy: 1.6761025595178745

minimum gb energy = 1.3948675150470224 eV
minimum distance =  2.18957066202991 Angstroms
sigma value = 81


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

Energy: 1.4429569536560032
Energy: 1.4462422812804405
Energy: 1.4439411729734615
Energy: 1.4462422812801525
Energy: 1.4429569536562912
Energy: 1.4462422812804405
Energy: 1.444710877510045
Energy: 1.4437588230844267
Energy: 1.4430499135023127
Energy: 1.4437588230847147
Energy: 1.4447108775111652
Energy: 1.4437588230847147
Energy: 1.4430361863594028
Energy: 1.4459151415895397
Energy: 1.4295611097158027
Energy: 1.4459151415901157
Energy: 1.4430361863596906
Energy: 1.445915141589828
Energy: 1.4439411729737495
Energy: 1.4462422812807287
Energy: 1.4429569536562912
Energy: 1.4462422812801525
Energy: 1.4439411729737495
Energy: 1.4462422812804405
Energy: 1.443049913502857
Energy: 1.4437588230847147
Energy: 1.444710877510045
Energy: 1.4437588230844267
Energy: 1.4430499135023127
Energy: 1.4437588230841705
Energy: 1.4444598139210922
Energy: 1.4459151415901157
Energy: 1.4430361863594028
Energy: 1.4459151415892517
Energy: 1.4444598139205163
Energy: 1.4459151415895397
Energy: 1.4429569536565794
Energy: 1.4462422812804405
Energy: 1.7734730601806286
Energy: 1.4462422812804405
Energy: 1.4429569536562912
Energy: 1.4462422812804405
Energy: 1.4447108775119977
Energy: 1.4437588230841705
Energy: 1.4430499135023127
Energy: 1.4437588230844267
Energy: 1.444710877510045
Energy: 1.4437588230850027
Energy: 1.4430361863594028
Energy: 1.445915141589828
Energy: 1.4444598139210922
Energy: 1.4459151415895397
Energy: 1.4430361863594028
Energy: 1.445915141589828
Energy: 1.60024799174555
Energy: 1.4462422812801525
Energy: 1.4429569536562912
Energy: 1.4462422812807287
Energy: 1.6002479917460941
Energy: 1.4462422812810165

minimum gb energy = 1.4295611097158027 eV
minimum distance =  2.28545442405966 Angstroms
sigma value = 3


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

Energy: 1.7977518130440235
Energy: 1.7929883944390568
Energy: 1.4035219521655729
Energy: 1.792988394437371
Energy: 1.7977518130431807
Energy: 1.792988394437371
Energy: 1.5671384993279953
Energy: 1.4319677036964233
Energy: 1.368847678954034
Energy: 1.4319677036981089
Energy: 1.5671384993263093
Energy: 1.431967703697266
Energy: 1.4023218246855556
Energy: 1.4047700382075294
Energy: 1.4979255042096236
Energy: 1.4047700382066868
Energy: 1.402321824687241
Energy: 1.4047700382066868
Energy: 1.605578392630272
Energy: 1.7872955717759564
Energy: 1.4243062947164553
Energy: 1.787295571779328
Energy: 1.605578392630272
Energy: 1.7872955717784853
Energy: 1.40159491952075
Energy: 1.4059066247510246
Energy: 1.5798713842326746
Energy: 1.405906624745967
Energy: 1.401594919521593
Energy: 1.405906624745967
Energy: 1.5873991134144132
Energy: 1.4771488250616789
Energy: 1.3714896992995518
Energy: 1.477148825060836
Energy: 1.5873991134152559
Energy: 1.477148825060836
Energy: 1.401539341700293
Energy: 1.406169433642851
Energy: 1.589841691374771
Energy: 1.4061694336420079
Energy: 1.401539341700293
Energy: 1.4061694336420079
Energy: 1.4016838094882775
Energy: 1.7875395621011323
Energy: 1.420453518065523
Energy: 1.7875395621019752
Energy: 1.4016838094857487
Energy: 1.7875395621028178
Energy: 1.4038136528603686
Energy: 1.4039057457831323
Energy: 1.7785713411541049
Energy: 1.4039057457856612
Energy: 1.4038136528586826
Energy: 1.4039057457856612
Energy: 1.404797431800954
Energy: 1.4319245913451788
Energy: 1.3724796893484168
Energy: 1.4319245913451788
Energy: 1.404797431800954
Energy: 1.4319245913451788
Energy: 1.7889781936522866
Energy: 1.478940067554952
Energy: 1.4287956780037743
Energy: 1.4789400675532662
Energy: 1.7889781936506004
Energy: 1.4789400675532662
Energy: 1.7895119702054272
Energy: 1.4664610924098058
Energy: 1.3705078091796463
Energy: 1.46646109240812
Energy: 1.7895119702037414
Energy: 1.46646109240812
Energy: 1.4047078381037112
Energy: 1.5074447910999598
Energy: 1.3708734862978895
Energy: 1.5074447911024886
Energy: 1.4047078381011824
Energy: 1.5074447911024886
Energy: 1.404078610286119
Energy: 1.663952196115253
Energy: 1.4218901001652353
Energy: 1.663952196117782
Energy: 1.404078610286119
Energy: 1.663952196117782
Energy: 1.4008210285206404
Energy: 1.480407455879752
Energy: 1.4205450224499272
Energy: 1.480407455877223
Energy: 1.4008210285197977
Energy: 1.480407455878066
Energy: 1.4009718019761128
Energy: 1.4334767971422324
Energy: 1.3698322198118735
Energy: 1.4334767971447615
Energy: 1.4009718019761128
Energy: 1.4334767971456042
Energy: 1.4007533181365617
Energy: 1.4329216694103573
Energy: 1.3699393150252221
Energy: 1.432921669412886
Energy: 1.4007533181374046
Energy: 1.4329216694112
Energy: 1.4008813165875609
Energy: 1.4989978515937983
Energy: 1.4206717423275008
Energy: 1.498997851594641
Energy: 1.400881316586718
Energy: 1.498997851594641
Energy: 1.404170552143828
Energy: 1.475649641500842
Energy: 1.420725765200075
Energy: 1.475649641502528
Energy: 1.404170552142985
Energy: 1.4756496415033709
Energy: 1.4038523148258273
Energy: 1.432669130896708
Energy: 1.370448632034827
Energy: 1.4326691308958652
Energy: 1.4038523148266702
Energy: 1.4326691308958652
Energy: 1.7890568010475292
Energy: 1.596882765367462
Energy: 1.3707430094228656
Energy: 1.5968827653666193
Energy: 1.789056801049215
Energy: 1.5968827653666193
Energy: 1.7905630035360653
Energy: 1.4787757387337632
Energy: 1.428664941101252
Energy: 1.4787757387337632
Energy: 1.7905630035360653
Energy: 1.4787757387337632
Energy: 1.4044421744408409
Energy: 1.4319619103923702
Energy: 1.3710637172416424
Energy: 1.4319619103940564
Energy: 1.4044421744408409
Energy: 1.4319619103940564
Energy: 1.4036898745734014
Energy: 1.4040434245085027
Energy: 1.7787171268327138
Energy: 1.4040434245110316
Energy: 1.4036898745734014
Energy: 1.4040434245110316
Energy: 1.4011414543385023
Energy: 1.502219358308675
Energy: 1.4211352962276973
Energy: 1.502219358308675
Energy: 1.4011414543376595
Energy: 1.502219358308675
Energy: 1.4007965724921754
Energy: 1.6153725026414698
Energy: 1.479851129339772
Energy: 1.6153725026414698
Energy: 1.4007965724921754
Energy: 1.6153725026414698
Energy: 1.4011714245313422
Energy: 1.43400144680352
Energy: 1.3719592165445602
Energy: 1.4340014468009914
Energy: 1.4011714245313422
Energy: 1.4340014468009914
Energy: 1.4007505426773124
Energy: 1.4680770737148834
Energy: 1.7798487950800301
Energy: 1.4680770737106688
Energy: 1.4007505426781552
Energy: 1.4680770737115116
Energy: 1.5072716593514779
Energy: 1.5794633723769758
Energy: 1.4210567064044368
Energy: 1.5794633723752898
Energy: 1.5072716593506352
Energy: 1.5794633723752898
Energy: 1.4024807735616138
Energy: 1.4051898116855985
Energy: 1.5800509188930356
Energy: 1.4051898116839128
Energy: 1.4024807735624567
Energy: 1.4051898116847557
Energy: 1.6148789975884288
Energy: 1.4320355924573465
Energy: 1.3700980839733192
Energy: 1.4320355924573465
Energy: 1.614878997586743
Energy: 1.4320355924573465
Energy: 1.7889512822837155
Energy: 1.793476347642791
Energy: 1.4296599897703517
Energy: 1.7934763476402624
Energy: 1.7889512822845584
Energy: 1.7934763476402624
Energy: 1.567013915621732
Energy: 1.4320297824077894
Energy: 1.3687013333902005
Energy: 1.4320297824069466
Energy: 1.5670139156192036
Energy: 1.4320297824077894

minimum gb energy = 1.3687013333902005 eV
minimum distance =  2.24112437993793 Angstroms
sigma value = 67


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

Energy: 1.3809584700018522
Energy: 1.847766659927976
Energy: 1.6434735289979825
Energy: 1.847766659927976
Energy: 1.3809584700018522
Energy: 1.847766659927976
Energy: 1.8264945320800006
Energy: 1.3521378519599057
Energy: 1.3280922760906535
Energy: 1.3521378519599057
Energy: 1.8264945320800006
Energy: 1.3521378519599057
Energy: 1.3298890637683332
Energy: 1.4358187424232602
Energy: 1.5803216548014636
Energy: 1.4358187424220592
Energy: 1.3298890637683332
Energy: 1.4358187424220592
Energy: 1.8420335737134417
Energy: 1.6173963852418045
Energy: 1.3307751372909848
Energy: 1.6173963852418045
Energy: 1.8420335737134417
Energy: 1.6173963852418045
Energy: 1.3277343631009106
Energy: 1.8783727917378779
Energy: 1.8288654419494579
Energy: 1.878372791739024
Energy: 1.3277343631009106
Energy: 1.8783727917378779
Energy: 1.3273634772806444
Energy: 1.7129036193132423
Energy: 1.328333229992219
Energy: 1.7129036193132423
Energy: 1.3273634772818457
Energy: 1.7129036193144433
Energy: 1.3298385543708402
Energy: 1.3520943550636246
Energy: 1.3538353703764503
Energy: 1.3520943550624236
Energy: 1.3298385543720412
Energy: 1.3520943550636246
Energy: 1.3476999085844248
Energy: 1.6372242232918384
Energy: 1.83226453509936
Energy: 1.6372242232906375
Energy: 1.3476999085844248
Energy: 1.6372242232906375
Energy: 1.3507376938405586
Energy: 1.3875289911000566
Energy: 1.8317341156247702
Energy: 1.3875289911000566
Energy: 1.3507376938405586
Energy: 1.3875289911000566
Energy: 1.3560235601730752
Energy: 1.3524300934143896
Energy: 1.3513485230861175
Energy: 1.3524300934143896
Energy: 1.3560235601730752
Energy: 1.3524300934143896
Energy: 1.3307172655880146
Energy: 1.5578597854193774
Energy: 1.3535308914672852
Energy: 1.5578597854205782
Energy: 1.3307172655880146
Energy: 1.5578597854205782
Energy: 1.3283531028491697
Energy: 1.3945794797261464
Energy: 1.3350208934735948
Energy: 1.3945794797261464
Energy: 1.3283531028479687
Energy: 1.3945794797273472
Energy: 1.3532304346258694
Energy: 1.5575724259475219
Energy: 1.3307136739914571
Energy: 1.5575724259451196
Energy: 1.3532304346258694
Energy: 1.5575724259451196
Energy: 1.3515519609413478
Energy: 1.352615734208996
Energy: 1.3560165366282373
Energy: 1.3526157342101972
Energy: 1.3515519609401467
Energy: 1.3526157342101972
Energy: 1.8321891293275598
Energy: 1.3873768965897075
Energy: 1.3508249132910959
Energy: 1.3873768965897075
Energy: 1.8321891293287607
Energy: 1.3873768965897075
Energy: 1.8327345553853924
Energy: 1.63715271161547
Energy: 1.3475570859870738
Energy: 1.63715271161547
Energy: 1.8327345553865932
Energy: 1.63715271161547
Energy: 1.3540874202671018
Energy: 1.3521349665232723
Energy: 1.3309339820241264
Energy: 1.352134966524473
Energy: 1.3540874202646997
Energy: 1.352134966524473
Energy: 1.3283564325486439
Energy: 1.7128823078161695
Energy: 1.3273684392086365
Energy: 1.7128823078173705
Energy: 1.3283564325486439
Energy: 1.7128823078161695
Energy: 1.8288532530596409
Energy: 1.8782887228155465
Energy: 1.3277754579089618
Energy: 1.8782887228143452
Energy: 1.8288532530596409
Energy: 1.8782887228143452
Energy: 1.3303191581807785
Energy: 1.6168686247535573
Energy: 1.8469177956540872
Energy: 1.6168686247523565
Energy: 1.3303191581819795
Energy: 1.6168686247535573
Energy: 1.5829936098027022
Energy: 1.4358187424232602
Energy: 1.331019453694413
Energy: 1.4358187424232602
Energy: 1.582993609801501
Energy: 1.4358187424232602
Energy: 1.3283012543975043
Energy: 1.35209346245489
Energy: 1.8265567211356537
Energy: 1.3520934624560907
Energy: 1.3283012543975043
Energy: 1.3520934624560907
Energy: 1.388417686398722
Energy: 1.847766659930378
Energy: 1.3809584700030535
Energy: 1.847766659930378
Energy: 1.388417686398722
Energy: 1.847766659930378

minimum gb energy = 1.3273634772806444 eV
minimum distance =  2.23170013460396 Angstroms
sigma value = 33


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

Energy: 1.6145518023153203
Energy: 1.9142730073849066
Energy: 1.8205415287437257
Energy: 1.9142730073849066
Energy: 1.6145518023153203
Energy: 1.9142730073849066
Energy: 1.759407237204243
Energy: 1.5936814484170856
Energy: 1.2677611537812987
Energy: 1.5936814484163238
Energy: 1.7594072372034812
Energy: 1.5936814484163238
Energy: 1.2701099468196686
Energy: 1.3492906915290777
Energy: 1.465768769246279
Energy: 1.3492906915290777
Energy: 1.2701099468189065
Energy: 1.3492906915290777
Energy: 1.3439222946618539
Energy: 1.418677128409177
Energy: 1.2797678779205088
Energy: 1.418677128409177
Energy: 1.343922294661092
Energy: 1.418677128411463
Energy: 1.5674915702387515
Energy: 1.6405378752628856
Energy: 1.5523991689192063
Energy: 1.6405378752636475
Energy: 1.5674915702387515
Energy: 1.6405378752644093
Energy: 1.564983299726944
Energy: 1.477992674036151
Energy: 1.2704285691426858
Energy: 1.4779926740346274
Energy: 1.5649832997246584
Energy: 1.4779926740346274
Energy: 1.2691497204876907
Energy: 1.2925132801406902
Energy: 1.288081050803172
Energy: 1.2925132801406902
Energy: 1.2691497204884525
Energy: 1.2925132801406902
Energy: 1.2865192652211788
Energy: 1.2674987336384567
Energy: 1.5649253761720794
Energy: 1.2674987336384567
Energy: 1.2865192652219404
Energy: 1.2674987336384567
Energy: 1.5538385376480595
Energy: 1.4900167683938588
Energy: 1.5658749716966238
Energy: 1.4900167683938588
Energy: 1.5538385376472974
Energy: 1.4900167683938588
Energy: 1.2754605890731832
Energy: 1.2859402189120888
Energy: 1.269321460642681
Energy: 1.2859402189128506
Energy: 1.275460589072421
Energy: 1.2859402189128506
Energy: 1.264751860096915
Energy: 1.2896040574654961
Energy: 1.2918491446272784
Energy: 1.2896040574654961
Energy: 1.2647518600961531
Energy: 1.289604057466258
Energy: 1.2629547761940163
Energy: 1.336930827899949
Energy: 1.799025745276475
Energy: 1.3369308278991872
Energy: 1.2629547761940163
Energy: 1.3369308278991872
Energy: 1.572013055551856
Energy: 1.6475975414454058
Energy: 1.605827327909303
Energy: 1.6475975414454058
Energy: 1.57201305555338
Energy: 1.6475975414454058
Energy: 1.2678510793933098
Energy: 1.2915683175545687
Energy: 1.2721890007324512
Energy: 1.2915683175560926
Energy: 1.2678510793933098
Energy: 1.2915683175560926
Energy: 1.552645473340999
Energy: 1.3475555577245037
Energy: 1.2649038693056323
Energy: 1.3475555577237417
Energy: 1.5526454733387132
Energy: 1.3475555577237417
Energy: 1.2798224019873325
Energy: 1.566880705402317
Energy: 1.547250980566576
Energy: 1.566880705401555
Energy: 1.2798224019880942
Energy: 1.566880705401555
Energy: 1.821233082985865
Energy: 1.918408994356981
Energy: 1.5804234648930202
Energy: 1.9184089943554572
Energy: 1.8212330829866272
Energy: 1.9184089943562193
Energy: 1.2647684027517898
Energy: 1.2925994759850143
Energy: 1.592916064777088
Energy: 1.2925994759857766
Energy: 1.2647684027525516
Energy: 1.2925994759857766
Energy: 1.5335748942299634
Energy: 1.294604293935548
Energy: 1.265213351283944
Energy: 1.294604293935548
Energy: 1.5335748942284397
Energy: 1.294604293935548
Energy: 1.5734865678839765
Energy: 1.635978761031853
Energy: 1.2879102386323011
Energy: 1.6359787610303291
Energy: 1.5734865678839765
Energy: 1.6359787610303291
Energy: 1.7566048372452032
Energy: 1.4742276363761524
Energy: 1.2782393760273278
Energy: 1.4742276363761524
Energy: 1.7566048372467273
Energy: 1.4742276363753908
Energy: 1.2649489029795202
Energy: 1.2930498552474077
Energy: 1.5523689526513043
Energy: 1.2930498552474077
Energy: 1.264948902980282
Energy: 1.2930498552466458
Energy: 1.2939946729660643
Energy: 1.2897380350850738
Energy: 1.2658971258257707
Energy: 1.2897380350835501
Energy: 1.2939946729653025
Energy: 1.2897380350835501
Energy: 1.603739549425637
Energy: 1.4746831705763175
Energy: 1.2630648335902779
Energy: 1.4746831705755559
Energy: 1.603739549425637
Energy: 1.4746831705755559
Energy: 1.868328958256646
Energy: 1.3346670779421708
Energy: 1.2657734548107773
Energy: 1.3346670779436944
Energy: 1.868328958256646
Energy: 1.3346670779436944
Energy: 1.2921467840027565
Energy: 1.5894040905649673
Energy: 1.2631066888071878
Energy: 1.5894040905649673
Energy: 1.2921467840019947
Energy: 1.5894040905649673
Energy: 1.2686877754278105
Energy: 1.2922584222458073
Energy: 1.5536974471637437
Energy: 1.2922584222458073
Energy: 1.2686877754270487
Energy: 1.292258422245045
Energy: 1.5649466398151657
Energy: 1.4792441937567125
Energy: 1.2752337227745332
Energy: 1.4792441937582361
Energy: 1.5649466398159277
Energy: 1.4792441937589982
Energy: 1.568954893019236
Energy: 1.2657693487656747
Energy: 1.2868713682526178
Energy: 1.2657693487656747
Energy: 1.5689548930177124
Energy: 1.265769348764151
Energy: 1.291135653299691
Energy: 1.2932941821328237
Energy: 1.2647288825952536
Energy: 1.2932941821335857
Energy: 1.291135653300453
Energy: 1.2932941821335857
Energy: 1.269286947421081
Energy: 1.4793120716290726
Energy: 1.5471132693203853
Energy: 1.4793120716290726
Energy: 1.2692869474195572
Energy: 1.4793120716290726
Energy: 1.5525116827931866
Energy: 1.6357516698927048
Energy: 1.5735468478549663
Energy: 1.6357516700183536
Energy: 1.5525116827931866
Energy: 1.6357516702011474
Energy: 1.2838891922095725
Energy: 1.5668950723648927
Energy: 1.6077733983929268
Energy: 1.5668950723648927
Energy: 1.2838891922110967
Energy: 1.5668950723648927
Energy: 1.734835305747727
Energy: 1.3471975414671555
Energy: 1.2652602212725035
Energy: 1.3471975414679178
Energy: 1.734835305747727
Energy: 1.3471975414671555
Energy: 1.2730171939629815
Energy: 1.59397808974592
Energy: 1.4110802289104007
Energy: 1.59397808974592
Energy: 1.2730171939629815
Energy: 1.59397808974592
Energy: 1.5625314235775405
Energy: 1.6422116579069632
Energy: 1.608716024185252
Energy: 1.6422116579069632
Energy: 1.5625314235752894
Energy: 1.6422116579069632
Energy: 1.2654286906855814
Energy: 1.7541930690340746
Energy: 1.7709036627784078
Energy: 1.7541930690340746
Energy: 1.2654286906848193
Energy: 1.7541930690340746

minimum gb energy = 1.2629547761940163 eV
minimum distance =  2.22745039237767 Angstroms
sigma value = 41


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

Energy: 1.1045299199551022
Energy: 1.0692511494516255
Energy: 1.7837999676855945
Energy: 1.0692511494516255
Energy: 1.1045299199551022
Energy: 1.0692511494516255
Energy: 1.7954950614540977
Energy: 1.06881866718601
Energy: 1.0670226877902416
Energy: 1.06881866718601
Energy: 1.7954950614540977
Energy: 1.06881866718601
Energy: 1.1043477673232052
Energy: 1.2828716237337228
Energy: 1.4088004884533882
Energy: 1.2828716237337228
Energy: 1.1043477673232052
Energy: 1.282871623735803
Energy: 1.8109463405971595
Energy: 1.0683323291009506
Energy: 1.067124953048633
Energy: 1.0683323291030309
Energy: 1.8109463405950792
Energy: 1.0683323291030309
Energy: 1.1040912198976756
Energy: 1.552550128168036
Energy: 1.0674361275801505
Energy: 1.552550128168036
Energy: 1.1040912198976756
Energy: 1.552550128168036
Energy: 1.1031090713871974
Energy: 1.108923712546692
Energy: 1.0677397948477716
Energy: 1.1089237125487723
Energy: 1.1031090713871974
Energy: 1.1089237125487723
Energy: 1.8156365299468036
Energy: 1.0681522306673301
Energy: 1.06758567520423
Energy: 1.0681522306694105
Energy: 1.8156365299468036
Energy: 1.0681522306694105
Energy: 1.1022652098783006
Energy: 1.0687305376134673
Energy: 1.0674646171007294
Energy: 1.068730537611387
Energy: 1.1022652098762202
Energy: 1.068730537611387
Energy: 1.7838715691330698
Energy: 1.1118026283638065
Energy: 1.0674571612783625
Energy: 1.1118026283658868
Energy: 1.7838715691330698
Energy: 1.1118026283658868
Energy: 1.1007980714077183
Energy: 1.546033438851349
Energy: 1.0679443499925498
Energy: 1.546033438851349
Energy: 1.1007980714077183
Energy: 1.546033438851349
Energy: 1.7855875748738308
Energy: 1.0681098538646934
Energy: 1.066986354309774
Energy: 1.0681098538646934
Energy: 1.7855875748738308
Energy: 1.0681098538646934
Energy: 1.1009740169773496
Energy: 1.2817982559546397
Energy: 1.783043244540742
Energy: 1.2817982559525596
Energy: 1.1009740169773496
Energy: 1.2817982559525596
Energy: 1.78556482457779
Energy: 1.068109961285016
Energy: 1.066984658497352
Energy: 1.068109961285016
Energy: 1.78556482457779
Energy: 1.068109961285016
Energy: 1.1007453309941992
Energy: 1.5462544863518501
Energy: 1.0679511770318277
Energy: 1.5462544863518501
Energy: 1.1007453309941992
Energy: 1.5462544863518501

minimum gb energy = 1.066984658497352 eV
minimum distance =  2.26529600571802 Angstroms
sigma value = 11


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

Energy: 1.6998743868297792
Energy: 1.362620861815849
Energy: 1.7617025453453665
Energy: 1.3626208618176767
Energy: 1.6998743868288653
Energy: 1.3626208618176767
Energy: 1.329545053905803
Energy: 1.7365149206572426
Energy: 1.3293112090878902
Energy: 1.7365149206563286
Energy: 1.329545053905803
Energy: 1.7365149206572426
Energy: 1.3299585830677432
Energy: 1.5325670962669067
Energy: 1.3320552574344493
Energy: 1.5325670962669067
Energy: 1.3299585830677432
Energy: 1.5325670962669067
Energy: 1.3479532556009952
Energy: 1.3815513234193832
Energy: 1.3300092549946698
Energy: 1.3815513234193832
Energy: 1.3479532556019092
Energy: 1.3815513234193832
Energy: 1.3303586752226724
Energy: 1.4916765380043469
Energy: 1.3488142478747178
Energy: 1.491676538003433
Energy: 1.3303586752226724
Energy: 1.491676538003433
Energy: 1.3685186395888622
Energy: 1.5792155571146884
Energy: 1.32994939759588
Energy: 1.5792155571137745
Energy: 1.3685186395888622
Energy: 1.5792155571137745
Energy: 1.347938405388272
Energy: 1.6170030117249847
Energy: 1.3671323746388362
Energy: 1.6170030117240708
Energy: 1.347938405388272
Energy: 1.6170030117249847
Energy: 1.331040280329272
Energy: 1.3812371845493248
Energy: 1.3307447884002526
Energy: 1.3812371845502387
Energy: 1.331040280329272
Energy: 1.3812371845502387
Energy: 1.3294208154625289
Energy: 1.460008592575115
Energy: 1.3299954818059039
Energy: 1.460008592574201
Energy: 1.3294208154625289
Energy: 1.460008592575115
Energy: 1.3292220125154022
Energy: 1.6666622677823968
Energy: 1.3482502480088978
Energy: 1.6666622677814833
Energy: 1.3292220125154022
Energy: 1.6666622677814833
Energy: 1.4309567444696512
Energy: 1.3306488206165403
Energy: 1.5279935548094632
Energy: 1.3306488206183682
Energy: 1.4309567444696512
Energy: 1.3306488206183682
Energy: 1.3310944758070473
Energy: 1.5063330705649434
Energy: 1.527880888636315
Energy: 1.506333070566771
Energy: 1.3310944758061336
Energy: 1.5063330705612878
Energy: 1.329436755063853
Energy: 1.5322342116473926
Energy: 1.5018405460544653
Energy: 1.5322342116473926
Energy: 1.329436755063853
Energy: 1.5322342116464784
Energy: 1.348631302679908
Energy: 1.4600584796903144
Energy: 1.3489974221139711
Energy: 1.4600584796903144
Energy: 1.3486313026808217
Energy: 1.4600584796903144
Energy: 1.3300129465669834
Energy: 1.609364381216005
Energy: 1.3292993882617476
Energy: 1.609364381216005
Energy: 1.3300129465669834
Energy: 1.609364381216005
Energy: 1.3485427442581157
Energy: 1.7023862775762375
Energy: 1.367576710438087
Energy: 1.7023862775762375
Energy: 1.3485427442590299
Energy: 1.7023862775762375
Energy: 1.367207896284689
Energy: 1.6994290358742132
Energy: 1.3293608699675463
Energy: 1.6994290358742132
Energy: 1.367207896284689
Energy: 1.6994290358742132
Energy: 1.3293640499732058
Energy: 1.6089681743971433
Energy: 1.3299849515028404
Energy: 1.6089681743971433
Energy: 1.3293640499732058
Energy: 1.6089681743962294
Energy: 1.3499892905057898
Energy: 1.382186880629777
Energy: 1.3477167525602574
Energy: 1.382186880629777
Energy: 1.349989290504876
Energy: 1.382186880629777
Energy: 1.3297647674784807
Energy: 1.5321411380851369
Energy: 1.3305084170845252
Energy: 1.5321411380851369
Energy: 1.329764767477567
Energy: 1.5321411380851369
Energy: 1.5278111443037843
Energy: 1.5069873142802852
Energy: 1.329685670925994
Energy: 1.5069873142802852
Energy: 1.5278111443046982
Energy: 1.5069873142802852
Energy: 1.528017345108658
Energy: 1.7486833295387876
Energy: 1.3486685600555086
Energy: 1.7486833295387876
Energy: 1.528017345108658
Energy: 1.7486833295387876
Energy: 1.5488109843116937
Energy: 1.6671171484471254
Energy: 1.372107723293726
Energy: 1.6671171484471254
Energy: 1.5488109843116937
Energy: 1.6671171484471254
Energy: 1.3301535132334261
Energy: 1.460091885165311
Energy: 1.3297351165279945
Energy: 1.460091885165311
Energy: 1.33015351323434
Energy: 1.460091885165311
Energy: 1.3303170271687095
Energy: 1.3808870255471832
Energy: 1.3296612644046728
Energy: 1.3808870255471832
Energy: 1.3303170271677955
Energy: 1.3808870255471832
Energy: 1.3749994071135123
Energy: 1.567121947171458
Energy: 1.347778093210945
Energy: 1.567121947171458
Energy: 1.3749994071144263
Energy: 1.567121947171458
Energy: 1.3295769246223907
Energy: 1.5062214004162693
Energy: 1.3293807459008455
Energy: 1.5062214004144412
Energy: 1.3295769246223907
Energy: 1.5062214004126135
Energy: 1.3477709263177213
Energy: 1.5658753022763008
Energy: 1.3687326395229944
Energy: 1.5658753022763008
Energy: 1.3477709263168074
Energy: 1.5658753022763008
Energy: 1.3304869407111852
Energy: 1.381368147270082
Energy: 1.3481087108867387
Energy: 1.381368147270082
Energy: 1.330486940712099
Energy: 1.381368147270082
Energy: 1.3295440351342855
Energy: 1.5329267201189776
Energy: 1.3312956954409478
Energy: 1.5329267201189776
Energy: 1.3295440351351995
Energy: 1.5329267201189776
Energy: 1.3290913985310444
Energy: 1.736403782778876
Energy: 1.3296299294551028
Energy: 1.736403782778876
Energy: 1.3290913985310444
Energy: 1.736403782778876

minimum gb energy = 1.3290913985310444 eV
minimum distance =  2.22663667077371 Angstroms
sigma value = 57


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

Energy: 1.478387408161097
Energy: 1.4865031551638486
Energy: 1.5497037328001346
Energy: 1.4865031551638486
Energy: 1.478387408161097
Energy: 1.4865031551638486
Energy: 1.431509269847903
Energy: 1.4845250721168337
Energy: 1.4213301524951907
Energy: 1.4845250721152075
Energy: 1.431509269847903
Energy: 1.4845250721152075
Energy: 1.4184726329586024
Energy: 1.4890613654380174
Energy: 1.4212970081859337
Energy: 1.4890613654363911
Energy: 1.4184726329586024
Energy: 1.4890613654363911
Energy: 1.4217706530457783
Energy: 1.5033022035233228
Energy: 1.4218682988874523
Energy: 1.5033022035233228
Energy: 1.421770653044152
Energy: 1.5033022035216965
Energy: 1.421295280613391
Energy: 1.4890564490096296
Energy: 1.4182079664947027
Energy: 1.489056449011256
Energy: 1.421295280613391
Energy: 1.489056449011256
Energy: 1.421271968010048
Energy: 1.4828000091550753
Energy: 1.431102850776942
Energy: 1.4828000091567015
Energy: 1.4212719680116743
Energy: 1.4828000091567015
Energy: 1.5497037328001346
Energy: 1.4865031551622223
Energy: 1.4783874081595076
Energy: 1.4865031551638486
Energy: 1.5497037328001346
Energy: 1.4865031551622223
Energy: 1.4213301524951907
Energy: 1.4845250721168337
Energy: 1.431509269847903
Energy: 1.4845250721168337
Energy: 1.4213301524951907
Energy: 1.4845250721168337
Energy: 1.4212970081859337
Energy: 1.4890613654380174
Energy: 1.4184726329569761
Energy: 1.4890613654363911
Energy: 1.4212970081859337
Energy: 1.4890613654363911
Energy: 1.4218682988874523
Energy: 1.5033022035233228
Energy: 1.4217706530457783
Energy: 1.503302203524949
Energy: 1.4218682988874523
Energy: 1.5033022035216965
Energy: 1.4182079664947027
Energy: 1.489056449011256
Energy: 1.4212952806117647
Energy: 1.489056449011256
Energy: 1.4182079664947027
Energy: 1.489056449011256
Energy: 1.431102850776942
Energy: 1.4828000091567015
Energy: 1.4212719680116743
Energy: 1.4828000091567015
Energy: 1.431102850776942
Energy: 1.4828000091567015
Energy: 1.478387408161097
Energy: 1.4865031551638486
Energy: 1.6277701625147785
Energy: 1.4865031551638486
Energy: 1.4783874081627233
Energy: 1.4865031551622223
Energy: 1.431509269847903
Energy: 1.4845250721152075
Energy: 1.4213301524951907
Energy: 1.4845250721168337
Energy: 1.431509269847903
Energy: 1.4845250721168337
Energy: 1.4184726329586024
Energy: 1.4890613654363911
Energy: 1.4212970081859337
Energy: 1.4890613654380174
Energy: 1.4184726329586024
Energy: 1.4890613654380174
Energy: 1.4217706530457783
Energy: 1.5033022035216965
Energy: 1.4218682988874523
Energy: 1.5033022035216965
Energy: 1.421770653044152
Energy: 1.5033022035216965
Energy: 1.421295280613391
Energy: 1.489056449011256
Energy: 1.4182079664947027
Energy: 1.4890564490096296
Energy: 1.421295280613391
Energy: 1.4890564490096296

minimum gb energy = 1.4182079664947027 eV
minimum distance =  2.26112587413249 Angstroms
sigma value = 9


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

Energy: 1.5779563957211378
Energy: 1.6275613991341
Energy: 1.58588304736019
Energy: 1.6275613991367555
Energy: 1.5779563957211378
Energy: 1.6275613991354279
Energy: 1.4439978252599368
Energy: 1.5942727608152991
Energy: 1.48590831661413
Energy: 1.5942727608126437
Energy: 1.4439978252586092
Energy: 1.5942727608126437
Energy: 1.5008227015053517
Energy: 1.59180443049947
Energy: 1.487159618478409
Energy: 1.5918044305034535
Energy: 1.5008227015053517
Energy: 1.5918044305034535
Energy: 1.5055381206131466
Energy: 1.5009881875537205
Energy: 1.4828847715734224
Energy: 1.5009881875590316
Energy: 1.5055381206131466
Energy: 1.5009881875590316
Energy: 1.4761000721379154
Energy: 1.5893705013012787
Energy: 1.4873367016326584
Energy: 1.5893705013012787
Energy: 1.4761000721379154
Energy: 1.5893705013012787
Energy: 1.5057038829949443
Energy: 1.5012892161258045
Energy: 1.667396286041704
Energy: 1.501289216127132
Energy: 1.5057038829936165
Energy: 1.501289216127132
Energy: 1.5023619958905938
Energy: 1.5903955302350772
Energy: 1.487413412507943
Energy: 1.5903955302430441
Energy: 1.5023619958919219
Energy: 1.5903955302430441
Energy: 1.5035442420584797
Energy: 1.5540632729844497
Energy: 1.4904364099738945
Energy: 1.554063272983122
Energy: 1.5035442420571519
Energy: 1.554063272983122
Energy: 1.5011029167006813
Energy: 1.578664585721894
Energy: 1.4590829058939492
Energy: 1.578664585721894
Energy: 1.5011029167006813
Energy: 1.578664585721894
Energy: 1.58942237266076
Energy: 1.6504380809879347
Energy: 1.4885846439795902
Energy: 1.6504380809905905
Energy: 1.58942237266076
Energy: 1.6504380809905905
Energy: 1.5013286158745032
Energy: 1.5100583530069054
Energy: 1.4900943600397385
Energy: 1.5100583530069054
Energy: 1.5013286158731756
Energy: 1.5100583530069054
Energy: 1.4990207026995177
Energy: 1.5024189133217456
Energy: 1.4832044328784515
Energy: 1.5024189133204178
Energy: 1.4990207026995177
Energy: 1.5024189133204178
Energy: 1.5008346965416244
Energy: 1.5870473311816258
Energy: 1.5153142349948059
Energy: 1.5870473311816258
Energy: 1.5008346965416244
Energy: 1.5870473311816258
Energy: 1.499211941271521
Energy: 1.501740872450937
Energy: 1.4558971286313074
Energy: 1.5017408724535926
Energy: 1.499211941271521
Energy: 1.5017408724549206
Energy: 1.5857806698981394
Energy: 1.65088754904775
Energy: 1.4963963631394952
Energy: 1.6508875490450945
Energy: 1.5857806698981394
Energy: 1.6508875490450945
Energy: 1.5003102577101843
Energy: 1.5792124560372758
Energy: 1.456621296769135
Energy: 1.5792124560372758
Energy: 1.5003102577115122
Energy: 1.5792124560372758
Energy: 1.501763011316865
Energy: 1.580800335296434
Energy: 1.4939504434463278
Energy: 1.580800335295106
Energy: 1.5017630113195208
Energy: 1.580800335295106
Energy: 1.547954762090763
Energy: 1.591556535141908
Energy: 1.4886824285989833
Energy: 1.5915565351405803
Energy: 1.5479547620920908
Energy: 1.5915565351392524
Energy: 1.5020310342484804
Energy: 1.5016764181454374
Energy: 1.6581744324855359
Energy: 1.5016764181441093
Energy: 1.5020310342484804
Energy: 1.5016764181441093
Energy: 1.5052958638791811
Energy: 1.5880622960081363
Energy: 1.4891349352928642
Energy: 1.5880622960054809
Energy: 1.505295863880509
Energy: 1.5880622960054809
Energy: 1.5020017616974901
Energy: 1.5016611489725702
Energy: 1.4837267271215664
Energy: 1.5016611489712424
Energy: 1.5020017616974901
Energy: 1.5016611489712424

minimum gb energy = 1.4439978252586092 eV
minimum distance =  2.26840506161043 Angstroms
sigma value = 27


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

Energy: 1.6330515424728722
Energy: 1.6248863330063097
Energy: 1.6411413982720588
Energy: 1.6248863330051906
Energy: 1.6330515424728722
Energy: 1.6248863330051906
Energy: 1.5259701863107702
Energy: 1.5950852946812153
Energy: 1.469199353864469
Energy: 1.5950852946812153
Energy: 1.5259701863107702
Energy: 1.5950852946812153
Energy: 1.4692845666982475
Energy: 1.4831498329453456
Energy: 1.469019855805391
Energy: 1.4831498329453456
Energy: 1.4692845666982475
Energy: 1.4831498329453456
Energy: 1.501388794257022
Energy: 1.5804769923016242
Energy: 1.4696539135416145
Energy: 1.5804769923005053
Energy: 1.5013887942559028
Energy: 1.5804769923016242
Energy: 1.4363557863006293
Energy: 1.6035919873083342
Energy: 1.4675371753553104
Energy: 1.6035919873083342
Energy: 1.4363557863006293
Energy: 1.6035919873094535
Energy: 1.4834353476621356
Energy: 1.5159098803761524
Energy: 1.489977919042725
Energy: 1.5159098803750333
Energy: 1.4834353476621356
Energy: 1.5159098803750333
Energy: 1.4545920242391495
Energy: 1.54942928122339
Energy: 1.4906746498755852
Energy: 1.5494292812245096
Energy: 1.4545920242391495
Energy: 1.5494292812245096
Energy: 1.4695609197677113
Energy: 1.5804149317292928
Energy: 1.491668903700118
Energy: 1.5804149317292928
Energy: 1.469560919766592
Energy: 1.5804149317292928
Energy: 1.570216044930503
Energy: 1.5789293225481236
Energy: 1.5440134272505635
Energy: 1.5789293225458854
Energy: 1.570216044930503
Energy: 1.5789293225458854
Energy: 1.4507255567533606
Energy: 1.633703267957507
Energy: 1.5142653015687115
Energy: 1.6337032679563874
Energy: 1.4507255567533606
Energy: 1.6337032679563874
Energy: 1.4688708239472577
Energy: 1.6181071236825817
Energy: 1.5142162379999633
Energy: 1.6181071236814626
Energy: 1.4688708239472577
Energy: 1.6181071236814626
Energy: 1.5703170830701494
Energy: 1.5788418362468086
Energy: 1.4839863279194903
Energy: 1.5788418362468086
Energy: 1.5703170830712685
Energy: 1.5788418362456897
Energy: 1.4510321477719645
Energy: 1.5404325616903014
Energy: 1.4906713816906174
Energy: 1.540432561689182
Energy: 1.4510321477719645
Energy: 1.540432561689182
Energy: 1.4719269400027115
Energy: 1.5305556304435575
Energy: 1.491571573518435
Energy: 1.530555630445796
Energy: 1.4719269400027115
Energy: 1.530555630445796
Energy: 1.5055592518099843
Energy: 1.516230728490956
Energy: 1.4900767764032465
Energy: 1.516230728490956
Energy: 1.5055592518111036
Energy: 1.5162307284920749
Energy: 1.436428316246657
Energy: 1.603591987307215
Energy: 1.467590214945634
Energy: 1.6035919873083342
Energy: 1.436428316246657
Energy: 1.6035919873094535
Energy: 1.5013250469633665
Energy: 1.5807198703333454
Energy: 1.4514035646317152
Energy: 1.5807198703333454
Energy: 1.5013250469633665
Energy: 1.580719870334439
Energy: 1.4514237918196753
Energy: 1.6342181482196827
Energy: 1.4690996719214882
Energy: 1.6342181482196827
Energy: 1.4514237918196753
Energy: 1.6342181482196827
Energy: 1.4768020538805164
Energy: 1.465559410885005
Energy: 1.468817722470524
Energy: 1.4655594108838856
Energy: 1.4768020538793971
Energy: 1.4655594108827663
Energy: 1.6330515424728722
Energy: 1.6248863330040715
Energy: 1.6411413982731782
Energy: 1.6248863330051906
Energy: 1.6330515424728722
Energy: 1.6248863330051906
Energy: 1.5259701863118895
Energy: 1.5950852946812153
Energy: 1.4691993538622303
Energy: 1.595085294680096
Energy: 1.5259701863118895
Energy: 1.595085294680096
Energy: 1.4692845666971286
Energy: 1.4831498329453456
Energy: 1.4690198558042717
Energy: 1.483149832946465
Energy: 1.4692845666971286
Energy: 1.483149832946465
Energy: 1.5013887942559028
Energy: 1.5804769923016242
Energy: 1.4696539135404953
Energy: 1.5804769923005053
Energy: 1.5013887942559028
Energy: 1.5804769923005053
Energy: 1.4363557863006293
Energy: 1.603591987307215
Energy: 1.467537175354191
Energy: 1.6035919873083342
Energy: 1.4363557862995102
Energy: 1.6035919873094535
Energy: 1.4834353476621356
Energy: 1.5159098803761524
Energy: 1.489977919042725
Energy: 1.5159098803761524
Energy: 1.4834353476621356
Energy: 1.5159098803750333

minimum gb energy = 1.4363557862995102 eV
minimum distance =  2.2677498752528 Angstroms
sigma value = 19


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

Energy: 1.5910514857343394
Energy: 1.4206555197891415
Energy: 1.4697991556539354
Energy: 1.4206555197891415
Energy: 1.5910514857343394
Energy: 1.4206555197891415
Energy: 1.3903896373996494
Energy: 1.5125438403725266
Energy: 1.374764144016246
Energy: 1.512543840374459
Energy: 1.3903896373996494
Energy: 1.512543840374459
Energy: 1.3929962973367256
Energy: 1.5169848895505127
Energy: 1.3751626588008359
Energy: 1.5169848895505127
Energy: 1.3929962973376915
Energy: 1.5169848895514788
Energy: 1.390886542346635
Energy: 1.5790084841497525
Energy: 1.4103528704427803
Energy: 1.5790084841497525
Energy: 1.390886542346635
Energy: 1.5790084841497525
Energy: 1.3905305477885097
Energy: 1.4762954645662034
Energy: 1.4057022718409902
Energy: 1.4762954645662034
Energy: 1.3905305477904417
Energy: 1.4762954645662034
Energy: 1.3948494531300106
Energy: 1.4767130721112602
Energy: 1.4039582530003605
Energy: 1.4767130721122266
Energy: 1.3948494531309545
Energy: 1.4767130721122266
Energy: 1.390676148110676
Energy: 1.5503306393850529
Energy: 1.4049207746568624
Energy: 1.5503306393802223
Energy: 1.390676148110676
Energy: 1.5503306393802223
Energy: 1.3904168558951941
Energy: 1.4772415125570073
Energy: 1.4041235927481726
Energy: 1.4772415125599057
Energy: 1.3904168558951941
Energy: 1.4772415125599057
Energy: 1.3903653455846987
Energy: 1.5349469964351747
Energy: 1.4261667630690762
Energy: 1.5349469964351747
Energy: 1.3903653455856648
Energy: 1.5349469964351747
Energy: 1.390712571744438
Energy: 1.5380765968497268
Energy: 1.3746878935625535
Energy: 1.538076596848761
Energy: 1.3907125717434718
Energy: 1.5380765968477947
Energy: 1.3906497253412748
Energy: 1.558875946186035
Energy: 1.4074462338713019
Energy: 1.5588759461879675
Energy: 1.3906497253412748
Energy: 1.5588759461879675
Energy: 1.4132079294132924
Energy: 1.5740022566475276
Energy: 1.3758769574917056
Energy: 1.5740022566475276
Energy: 1.4132079294123263
Energy: 1.5740022566475276
Energy: 1.413305236691204
Energy: 1.5800551964385599
Energy: 1.3756073462834606
Energy: 1.5800551964366276
Energy: 1.413305236691204
Energy: 1.5800551964366276
Energy: 1.3950728812357556
Energy: 1.5591639047899961
Energy: 1.4478406170485434
Energy: 1.5591639047899961
Energy: 1.3950728812366997
Energy: 1.5591639047899961
Energy: 1.4026467582607827
Energy: 1.535154141385107
Energy: 1.375256076516613
Energy: 1.535154141386073
Energy: 1.4026467582607827
Energy: 1.535154141386073
Energy: 1.4015532111317788
Energy: 1.4762378521305206
Energy: 1.3773198353229568
Energy: 1.476237852126656
Energy: 1.4015532111317788
Energy: 1.476237852127622
Energy: 1.392172929078967
Energy: 1.4759738092612837
Energy: 1.376472252868596
Energy: 1.4759738092603176
Energy: 1.392172929078001
Energy: 1.4759738092612837
Energy: 1.401479152144411
Energy: 1.6415554706304594
Energy: 1.3749241415577529
Energy: 1.6415554706314255
Energy: 1.401479152144411
Energy: 1.6415554706314255
Energy: 1.3921655319827135
Energy: 1.4761474934216803
Energy: 1.3764721623600804
Energy: 1.4761474934226464
Energy: 1.3921655319836799
Energy: 1.4761474934226464
Energy: 1.4015542749504093
Energy: 1.476292983126517
Energy: 1.3771857037095305
Energy: 1.476292983126517
Energy: 1.4015542749504093
Energy: 1.476292983126517
Energy: 1.402661630359413
Energy: 1.534966769164045
Energy: 1.3752660960055254
Energy: 1.5349667691650113
Energy: 1.4026616303584472
Energy: 1.5349667691650113
Energy: 1.3951141442384947
Energy: 1.5593391112535706
Energy: 1.4477010957915701
Energy: 1.5593391112535706
Energy: 1.3951141442384947
Energy: 1.5593391112535706
Energy: 1.4132626389236818
Energy: 1.5798250608696804
Energy: 1.3756012654848304
Energy: 1.5798250608706468
Energy: 1.413262638924648
Energy: 1.5798250608716127
Energy: 1.4131505710925263
Energy: 1.574171530437718
Energy: 1.3758666820878203
Energy: 1.5741715304386839
Energy: 1.4131505710915602
Energy: 1.5741715304386839
Energy: 1.3907324119575548
Energy: 1.5586690750204417
Energy: 1.4079378671343166
Energy: 1.5586690750204417
Energy: 1.3907324119565885
Energy: 1.5586690750204417
Energy: 1.3906632786806674
Energy: 1.538299510698692
Energy: 1.37468220571884
Energy: 1.538299510697726
Energy: 1.3906632786806674
Energy: 1.538299510698692
Energy: 1.3904171792364892
Energy: 1.5349888972003018
Energy: 1.4295130158050595
Energy: 1.5349888972032004
Energy: 1.3904171792374553
Energy: 1.5349888972022343
Energy: 1.3904383592987863
Energy: 1.4772459096604091
Energy: 1.4041257008763226
Energy: 1.4772459096623414
Energy: 1.3904383592978202
Energy: 1.4772459096623414
Energy: 1.3906184081240613
Energy: 1.5503306393850529
Energy: 1.4050285219870553
Energy: 1.5503306393821545
Energy: 1.3906184081240613
Energy: 1.5503306393811884

minimum gb energy = 1.37468220571884 eV
minimum distance =  2.25424420157166 Angstroms
sigma value = 101


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

Energy: 1.488209561899355
Energy: 1.3426967548195576
Energy: 1.413166424773018
Energy: 1.3426967548195576
Energy: 1.488209561899355
Energy: 1.3426967548187083
Energy: 1.343427617951576
Energy: 1.4692471155626508
Energy: 1.3414327810133366
Energy: 1.4692471155618014
Energy: 1.343427617951576
Energy: 1.4692471155618014
Energy: 1.3296511174374237
Energy: 1.4975952065585472
Energy: 1.3823022978170019
Energy: 1.4975952065593965
Energy: 1.329651117438273
Energy: 1.4975952065593965
Energy: 1.3517431231283212
Energy: 1.4738616534187678
Energy: 1.3292652160072391
Energy: 1.4738616534179185
Energy: 1.3517431231274717
Energy: 1.4738616534179185
Energy: 1.3173407229157506
Energy: 1.432345951308293
Energy: 1.3377572254312609
Energy: 1.4323459513074437
Energy: 1.3173407229157506
Energy: 1.4323459513074437
Energy: 1.3299364128985502
Energy: 1.491591329569941
Energy: 1.317947462612302
Energy: 1.491591329569941
Energy: 1.329936412897701
Energy: 1.491591329569941
Energy: 1.3377179180284078
Energy: 1.528241315724344
Energy: 1.3173441823510388
Energy: 1.528241315724344
Energy: 1.3377179180284078
Energy: 1.528241315724344
Energy: 1.3288862457457
Energy: 1.4902103710234322
Energy: 1.3314453739187668
Energy: 1.4902103710234322
Energy: 1.3288862457457
Energy: 1.4902103710234322
Energy: 1.3169426092972751
Energy: 1.491290111432455
Energy: 1.3300747819554783
Energy: 1.4912901114316057
Energy: 1.3169426092981242
Energy: 1.4912901114316057
Energy: 1.3166355145843736
Energy: 1.4746663694690159
Energy: 1.3181462987627737
Energy: 1.4746663694690159
Energy: 1.3166355145843736
Energy: 1.4746663694690159
Energy: 1.3528676092272582
Energy: 1.481451886740704
Energy: 1.3987991751048445
Energy: 1.481451886740704
Energy: 1.3528676092264091
Energy: 1.4814518867398545
Energy: 1.3412318585754555
Energy: 1.497473491302179
Energy: 1.3175099416134928
Energy: 1.497473491302179
Energy: 1.3412318585746064
Energy: 1.497473491302179
Energy: 1.3822739953804297
Energy: 1.4976081395764536
Energy: 1.3515969078261991
Energy: 1.4976081395756042
Energy: 1.3822739953795804
Energy: 1.4976081395756042
Energy: 1.329098453407263
Energy: 1.3340554962259352
Energy: 1.3412414543121787
Energy: 1.3340554962250861
Energy: 1.3290984534064136
Energy: 1.3340554962250861
Energy: 1.3262215638161277
Energy: 1.3171310572903097
Energy: 1.3410791949087737
Energy: 1.3171310572894606
Energy: 1.3262215638169772
Energy: 1.3171310572903097
Energy: 1.3823571470237574
Energy: 1.3795424810317949
Energy: 1.329006671044594
Energy: 1.3795424810317949
Energy: 1.3823571470237574
Energy: 1.3795424810317949
Energy: 1.3173599265716858
Energy: 1.4493592959701205
Energy: 1.3534030591058124
Energy: 1.4493592959701205
Energy: 1.317359926572535
Energy: 1.4493592959701205
Energy: 1.3310167441166187
Energy: 1.4321930037220125
Energy: 1.3167368668330925
Energy: 1.4321930037220125
Energy: 1.3310167441157694
Energy: 1.4321930037220125
Energy: 1.329356865477509
Energy: 1.490247931858121
Energy: 1.3301851184860332
Energy: 1.490247931858121
Energy: 1.3293568654766597
Energy: 1.490247931857272
Energy: 1.318294361277493
Energy: 1.5275758541472764
Energy: 1.3165673252418615
Energy: 1.5275758541472764
Energy: 1.318294361277493
Energy: 1.5275758541472764
Energy: 1.3435012217236522
Energy: 1.432248167254251
Energy: 1.3296434693789199
Energy: 1.4322481672551002
Energy: 1.343501221722803
Energy: 1.4322481672551002
Energy: 1.317725527069174
Energy: 1.4903797223504904
Energy: 1.3165677242951723
Energy: 1.4903797223513402
Energy: 1.317725527070023
Energy: 1.4903797223513402
Energy: 1.329580130306459
Energy: 1.4901392152947739
Energy: 1.3170616467715905
Energy: 1.4901392152939246
Energy: 1.3295801303056483
Energy: 1.4901392152939246
Energy: 1.3518884109217562
Energy: 1.523865937857316
Energy: 1.3778210831201745
Energy: 1.523865937857316
Energy: 1.3518884109217562
Energy: 1.523865937857316
Energy: 1.3170829572532268
Energy: 1.4633047973220985
Energy: 1.3263040774832762
Energy: 1.4633047973220985
Energy: 1.3170829572523775
Energy: 1.4633047973220985
Energy: 1.3165822876733881
Energy: 1.437669861811311
Energy: 1.3823965448760163
Energy: 1.4376698618121602
Energy: 1.3165822876725388
Energy: 1.4376698618121602
Energy: 1.3410976431925363
Energy: 1.31706522514539
Energy: 1.3168219467130726
Energy: 1.31706522514539
Energy: 1.3410976431925363
Energy: 1.31706522514539
Energy: 1.3410434564408193
Energy: 1.3173274724127426
Energy: 1.3182502966736658
Energy: 1.3173274724118935
Energy: 1.3410434564408193
Energy: 1.3173274724118935
Energy: 1.5272842367374813
Energy: 1.4367926059554141
Energy: 1.4231444428566467
Energy: 1.436792605954565
Energy: 1.5272842367383306
Energy: 1.436792605954565
Energy: 1.3167168606918183
Energy: 1.4639883609311242
Energy: 1.3184165105932417
Energy: 1.4639883609311242
Energy: 1.3167168606918183
Energy: 1.4639883609311242
Energy: 1.3534067066182314
Energy: 1.4325186699703942
Energy: 1.329119379631032
Energy: 1.4325186699695451
Energy: 1.3534067066190807
Energy: 1.4325186699695451
Energy: 1.3170900798292098
Energy: 1.490153426999286
Energy: 1.317836190347197
Energy: 1.490153426999286
Energy: 1.3170900798292098
Energy: 1.490153426999286
Energy: 1.3171339298914382
Energy: 1.4844873410836785
Energy: 1.3295192821562811
Energy: 1.4844873410836785
Energy: 1.3171339298914382
Energy: 1.4844873410836785

minimum gb energy = 1.3165673252418615 eV
minimum distance =  2.26012779156148 Angstroms
sigma value = 33


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

Energy: 0.014930193414532824
Energy: 0.015865091969302414
Energy: 1.4525035490492724
Energy: 0.015865091969302414
Energy: 0.014930193415238461
Energy: 0.015865091969302414
Energy: 0.015065583896759164
Energy: 0.7115008948283281
Energy: 0.015065583896759164
Energy: 0.7115008948283281
Energy: 0.015065583896759164
Energy: 0.7115008948283281
Energy: 1.4525035490492724
Energy: 0.015865091969302414
Energy: 0.014930193415238461
Energy: 0.015865091969302414
Energy: 1.4525035490485672
Energy: 0.015865091969302414
Energy: 0.015065583896759164
Energy: 0.7115008948283281
Energy: 0.015065583896759164
Energy: 0.7115008948283281
Energy: 0.015065583896759164
Energy: 0.7115008948283281

minimum gb energy = 0.014930193414532824 eV
minimum distance =  2.44503963035244 Angstroms
sigma value = 1