Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.04261135084579635
Energy: 0.04392676962555601
Energy: 3.5297355570759
Energy: 0.04392676962555601
Energy: 0.04392676962555601
Energy: 0.04376545360197915
Energy: 0.5549782578449682
Energy: 0.04376545360197915
Energy: 3.529735557071023
Energy: 0.5549782578449682
Energy: 0.5547051977383246
Energy: 0.5549782578459659
Energy: 0.04392676962655354
Energy: 0.0437654536029767
Energy: 0.5549782578459659
Energy: 0.04376545360197915

minimum gb energy = 0.04261135084579635 eV
minimum distance =  2.47607753145362 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.75621651313779
Energy: 1.52645208132742
Energy: 2.9830074457819373
Energy: 1.5264520813201612
Energy: 1.8775990912565785
Energy: 1.1396885250121682
Energy: 1.328023006916942
Energy: 1.1396885250121682
Energy: 2.0883872483775403
Energy: 1.1623340817977028
Energy: 1.1465940017128762
Energy: 1.1623340818013321
Energy: 1.6825249209043607
Energy: 1.1448311705326673
Energy: 1.2437505981607477
Energy: 1.144831170545975
Energy: 1.6831744079539368
Energy: 1.3143344641373502
Energy: 1.6484894134171106
Energy: 1.3143344641409795
Energy: 1.8328014551560645
Energy: 1.1395256346012739
Energy: 1.1377031761913772
Energy: 1.1395256346012739
Energy: 1.3957071269482286
Energy: 1.4558410924898337
Energy: 1.135839835935019
Energy: 1.4558410924898337
Energy: 1.1395738982834793
Energy: 1.1360820715416864
Energy: 1.6344498804141252
Energy: 1.1360820715416864
Energy: 1.3951113690911052
Energy: 1.4399436200535958
Energy: 1.6307134911300685
Energy: 1.4399436200535958
Energy: 1.8844955932614487
Energy: 1.5507168214638969
Energy: 1.436739050528512
Energy: 1.5507168214638969
Energy: 1.1437950654815778
Energy: 1.448120696577361
Energy: 1.6201395128939446
Energy: 1.4481206965761513
Energy: 1.1521267866884721
Energy: 1.1433110507200497
Energy: 2.3608999035801563
Energy: 1.1433110507200497
Energy: 1.3925941231313483
Energy: 1.4416506008648091
Energy: 1.6841671447081534
Energy: 1.4416506008648091
Energy: 1.227400016782581
Energy: 1.4329523509023327
Energy: 1.738608401205617
Energy: 1.4329523509047521
Energy: 1.2319744044032674
Energy: 1.1383113855942764
Energy: 1.846121174116778
Energy: 1.1383113855930667
Energy: 1.2380681443407797
Energy: 1.138582259090335
Energy: 1.8427398199804732
Energy: 1.1385822590963839
Energy: 1.2275712187686858
Energy: 1.136585115196125
Energy: 1.758932688192402
Energy: 1.1365851152094326
Energy: 1.480103757755486
Energy: 1.441925456037302
Energy: 1.6906256265685946
Energy: 1.4419254560348824
Energy: 1.1504036447239103
Energy: 1.1434651716655888
Energy: 2.397314905682524
Energy: 1.1434651716655888
Energy: 1.1437837821429215
Energy: 1.4092863375177778
Energy: 1.413990017288014
Energy: 1.4092863375189877
Energy: 1.8674874191196114
Energy: 1.4561409816139013
Energy: 1.4397218360670674
Energy: 1.4561409816163207
Energy: 1.408957052305151
Energy: 1.141299803118841
Energy: 1.6159603283035107
Energy: 1.141299803118841
Energy: 1.4344139261484647
Energy: 1.145926464437753
Energy: 1.4369279068882577
Energy: 1.1459264644413822
Energy: 1.6186222771602854
Energy: 1.4593776788529382
Energy: 1.1421307482991307
Energy: 1.4593776788529382
Energy: 1.8477527383423733
Energy: 1.1380804917614
Energy: 1.135153009132897
Energy: 1.1380804917565608
Energy: 1.738796079741903
Energy: 1.3167284197581386
Energy: 1.6485751320063102
Energy: 1.3167284197581386
Energy: 1.6439733221093258
Energy: 1.1410074766078298
Energy: 1.2432706173278512
Energy: 1.1410074766090397
Energy: 2.0728666277519108
Energy: 1.1621431027172746
Energy: 1.181885040641844
Energy: 1.1621431027172746
Energy: 1.8765081245922366
Energy: 1.1390615979043095
Energy: 1.3302892359263478
Energy: 1.139061597906729
Energy: 1.7571028000692979
Energy: 1.4196624567993188
Energy: 1.1616611429948223
Energy: 1.4196624568029481
Energy: 1.8816520232533758
Energy: 1.1390798207888868
Energy: 1.1956632737325377
Energy: 1.1390798207876769
Energy: 1.8330824014425529
Energy: 1.1418504512978205
Energy: 1.1509524417465835
Energy: 1.1418504513014498
Energy: 1.6824798758776145
Energy: 1.3160078856181296
Energy: 1.2431732286353072
Energy: 1.3160078856169197

minimum gb energy = 1.135153009132897 eV
minimum distance =  2.30064613279462 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.905792734415972
Energy: 1.8791347457094305
Energy: 3.046254665640175
Energy: 1.8791347457080512
Energy: 1.7119785786542003
Energy: 1.4626081977552516
Energy: 1.4180159653837916
Energy: 1.4626081977538727
Energy: 1.7320721198460796
Energy: 1.2100203392971036
Energy: 1.2962063231121164
Energy: 1.2100203392971036
Energy: 1.1757283222245445
Energy: 1.4776357455540945
Energy: 1.4178512892318207
Energy: 1.4776357455554738
Energy: 1.1759917207928798
Energy: 1.4779395807398723
Energy: 1.7836909517746464
Energy: 1.4779395807384927
Energy: 1.7334115761833038
Energy: 1.1881149807413054
Energy: 1.1877018554657364
Energy: 1.1881149807439386
Energy: 1.286962521751177
Energy: 1.4300732307724842
Energy: 1.1879726556064845
Energy: 1.4300732307711048
Energy: 1.1872080969490715
Energy: 1.187300164884972
Energy: 1.7820573724054625
Energy: 1.187300164882213
Energy: 1.2948983146639417
Energy: 1.3605868399748986
Energy: 1.7290698505274877
Energy: 1.3605868399831749
Energy: 1.4172207948417206
Energy: 1.176200954859411
Energy: 1.175290749843988
Energy: 1.1762009548676873
Energy: 1.2938361016422326
Energy: 1.4743482978596205
Energy: 1.7298461085286545
Energy: 1.4743482978596205
Energy: 1.2935417851141264
Energy: 1.1910940136215697
Energy: 2.232320793770437
Energy: 1.1910940136229495
Energy: 1.4174003331334646
Energy: 1.509973181960877
Energy: 1.7992960625402328
Energy: 1.509973181960877
Energy: 1.417400333132085
Energy: 1.5093766417159222
Energy: 1.7991778923166135
Energy: 1.5093766417145427
Energy: 1.2933924593440909
Energy: 1.1910468649435826
Energy: 2.232865678230748
Energy: 1.191046864944962
Energy: 1.2938261842850933
Energy: 1.4743551161197503
Energy: 1.7297806636865338
Energy: 1.474355116118371
Energy: 1.4172207948431
Energy: 1.1757172796401607
Energy: 1.175308502256704
Energy: 1.175717279637402
Energy: 1.2867406297210418
Energy: 1.35985805449663
Energy: 1.729295997828264
Energy: 1.35985805449663
Energy: 1.1872267772696194
Energy: 1.1873046374453105
Energy: 1.7820573724013247
Energy: 1.1873046374439313
Energy: 1.2875403365237155
Energy: 1.4306000210111278
Energy: 1.1874922230980025
Energy: 1.4306000210125067
Energy: 1.733524698649695
Energy: 1.1883834128255244
Energy: 1.188175704281021
Energy: 1.188383412826904
Energy: 1.1761251860450497
Energy: 1.477938942079596
Energy: 1.7836909517787847
Energy: 1.4779389420823548
Energy: 1.1758587592774468
Energy: 1.477774390049743
Energy: 1.4178512892304416
Energy: 1.4777743900511224
Energy: 1.7320992132234987
Energy: 1.2100199533442346
Energy: 1.2962636600308644
Energy: 1.2100199533442346
Energy: 1.7124802457272
Energy: 1.4627171824011844
Energy: 1.4180159653865503
Energy: 1.4627171824011844
Energy: 1.9057927344145926
Energy: 1.8791347457066716
Energy: 3.0462546656318983
Energy: 1.8791347457080512
Energy: 1.7119785786542003
Energy: 1.462608197756631
Energy: 1.4180159653824123
Energy: 1.4626081977538727
Energy: 1.7320721198447002
Energy: 1.2100203392971036
Energy: 1.2962063231107372
Energy: 1.2100203393012419
Energy: 1.175728322223165
Energy: 1.4776357455554738
Energy: 1.4178512892428556
Energy: 1.4776357455554738

minimum gb energy = 1.175290749843988 eV
minimum distance =  2.27645603788699 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6814448803658177
Energy: 2.0170977794450313
Energy: 3.008528004101328
Energy: 2.0170977794450313
Energy: 1.9079313443744976
Energy: 1.3889685622106587
Energy: 1.5068172980834704
Energy: 1.3889685622106587
Energy: 1.8532200937229413
Energy: 1.2842438953281916
Energy: 1.3147048952096863
Energy: 1.284243895326588
Energy: 1.6442347194349198
Energy: 1.2630623807200054
Energy: 1.4128327601916366
Energy: 1.2630623807184018
Energy: 1.5993977265221397
Energy: 1.2636783641214453
Energy: 1.6347218359099631
Energy: 1.2636783641214453
Energy: 1.8533372953794376
Energy: 1.2621102993366935
Energy: 1.2606615432483503
Energy: 1.2621102993366935
Energy: 1.3786209015868904
Energy: 1.4301311688172287
Energy: 1.261154080478781
Energy: 1.430131168815625
Energy: 1.2748846730278132
Energy: 1.2795849541965436
Energy: 1.8900778797573323
Energy: 1.27958495419494
Energy: 1.3791088143573285
Energy: 1.5161934345542407
Energy: 1.5975642218304613
Energy: 1.5161934345542407
Energy: 1.3770985996560285
Energy: 1.2627034073984256
Energy: 1.672547874585072
Energy: 1.2627034073936154
Energy: 1.3829341774975474
Energy: 1.5196025646169957
Energy: 1.8507990286154605
Energy: 1.5196025646169957
Energy: 1.4040712417668095
Energy: 1.280092006933696
Energy: 1.8483344018244958
Energy: 1.280092006933696
Energy: 1.376870726736708
Energy: 1.504305106180245
Energy: 1.6773680287422117
Energy: 1.5043051061722272
Energy: 1.3818979724458236
Energy: 1.5576608466804114
Energy: 1.6330738833500806
Energy: 1.5576608466788082
Energy: 1.2792420633539832
Energy: 1.2808587696352094
Energy: 2.2732201246923083
Energy: 1.2808587696368128
Energy: 1.2823069525805424
Energy: 1.4321704005830096
Energy: 1.263669031815121
Energy: 1.4321704005830096
Energy: 2.22297054836053
Energy: 1.261726978955904
Energy: 1.2659435113738071
Energy: 1.261726978955904
Energy: 1.6045054427976349
Energy: 1.260266785681817
Energy: 1.5844253919074651
Energy: 1.2602667856834207
Energy: 1.6846588351462122
Energy: 1.261136882470044
Energy: 1.4128200974720135
Energy: 1.2611368824668372
Energy: 1.5995332520024275
Energy: 1.2618434090109663
Energy: 1.2844385357986892
Energy: 1.2618434090093629
Energy: 1.911625915858497
Energy: 1.388844781591383
Energy: 1.347492498386636
Energy: 1.3888447815961937
Energy: 1.6763297520913472
Energy: 1.4298903399885667
Energy: 1.3193600987103267
Energy: 1.4298903399901703
Energy: 1.9072523158074033
Energy: 1.5370202155438903
Energy: 1.5070336221750598
Energy: 1.5370202155422867
Energy: 1.8537945510443112
Energy: 1.288276443069905
Energy: 1.3136466592345388
Energy: 1.288276443066698
Energy: 1.5994084686234085
Energy: 1.26327831567156
Energy: 1.3148392047581963
Energy: 1.263278315674767

minimum gb energy = 1.260266785681817 eV
minimum distance =  2.36751339442112 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.2985001131041873
Energy: 1.29972850460841
Energy: 3.109135149059506
Energy: 1.2997285046103229
Energy: 1.2970664075026996
Energy: 1.4646236765199183
Energy: 1.3350529031654832
Energy: 1.4646236765199183
Energy: 1.546229570818744
Energy: 1.3801096328509517
Energy: 1.453235638262087
Energy: 1.3801096328528646
Energy: 1.3316329178494766
Energy: 1.3325285300408887
Energy: 1.3346362925132567
Energy: 1.3325285300408887
Energy: 1.3360462457461901
Energy: 1.4654595435002273
Energy: 1.4465272943620662
Energy: 1.4654595435002273
Energy: 2.177967018714414
Energy: 1.3316878883234595
Energy: 1.3314566924810158
Energy: 1.3316878883215468
Energy: 1.4535428375251465
Energy: 1.4655521611765352
Energy: 1.3363908323947318
Energy: 1.4655521611765352
Energy: 1.4540619729189934
Energy: 1.4519148524478036
Energy: 2.021120361876358
Energy: 1.4519148524497165
Energy: 1.6599279833194742
Energy: 1.5558386019349832
Energy: 1.2966094678373175
Energy: 1.5558386019349832
Energy: 1.4941602315127493
Energy: 1.2980670454396157
Energy: 1.2981849466173068
Energy: 1.2980670454396157
Energy: 1.4540704568759162
Energy: 1.494073657420311
Energy: 2.0262827438004765
Energy: 1.494073657420311
Energy: 1.453975433520715
Energy: 1.4418621404817784
Energy: 1.446409944226544
Energy: 1.4418621404817784
Energy: 1.6597643725608038
Energy: 1.3339991365598727
Energy: 1.3315285859176047
Energy: 1.3339991365598727
Energy: 1.4466372151537499
Energy: 1.39983128428474
Energy: 1.4469099865476804
Energy: 1.39983128428474
Energy: 1.3315413341708848
Energy: 1.3335095547609364
Energy: 1.659764372558891
Energy: 1.3335095547628493
Energy: 1.446379877655554
Energy: 1.4407407391050984
Energy: 1.4536265180417158
Energy: 1.4407407391108367
Energy: 2.023626518116754
Energy: 1.4940259450451507
Energy: 1.4541016634329136
Energy: 1.4940259450470634
Energy: 1.298227911761516
Energy: 1.2993445238833707
Energy: 1.4941602315165747
Energy: 1.2993445238852837
Energy: 1.296698482209426
Energy: 1.5558819863362978
Energy: 1.6599279833175613
Energy: 1.5558819863362978
Energy: 2.0209826871581456
Energy: 1.4519037568660302
Energy: 1.4540157838967298
Energy: 1.4519037568679432
Energy: 1.3363684453900617
Energy: 1.4657800392136235
Energy: 1.453633163489722
Energy: 1.4657800392136235

minimum gb energy = 1.2966094678373175 eV
minimum distance =  2.27594989323889 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4418959965531843
Energy: 1.7205106533007326
Energy: 2.977357129984517
Energy: 1.720510653305464
Energy: 1.9331574878441637
Energy: 1.5982819038161613
Energy: 1.4970434356809188
Energy: 1.5982819038137954
Energy: 1.5650147887043686
Energy: 1.4926251257145449
Energy: 1.49571416742189
Energy: 1.4926251257145449
Energy: 1.470413581948119
Energy: 1.4775323915439373
Energy: 1.5122883905409985
Energy: 1.4775323915415715
Energy: 1.4766315546998563
Energy: 1.5601787845765662
Energy: 1.9873391256795647
Energy: 1.5601787845789323
Energy: 1.9858901406774678
Energy: 1.432826239140381
Energy: 1.4333444933070691
Energy: 1.4328262391427469
Energy: 1.5608338806135802
Energy: 1.6461275600240244
Energy: 1.4304516893908352
Energy: 1.6461275600240244
Energy: 1.5655253768868445
Energy: 1.5614738935234596
Energy: 1.963308336643218
Energy: 1.5614738935234596
Energy: 1.5694437757655482
Energy: 1.4283055267028224
Energy: 1.4283417115650123
Energy: 1.4283055267051878
Energy: 1.4711482232468138
Energy: 1.532585820973088
Energy: 1.427701200970617
Energy: 1.532585820973088
Energy: 1.4658525546361196
Energy: 1.470642551837991
Energy: 1.870962269722353
Energy: 1.470642551840357
Energy: 1.4705543013668925
Energy: 1.5352093415758856
Energy: 1.4926761572322829
Energy: 1.5352093415758856
Energy: 1.7944397526180649
Energy: 1.4919403948243797
Energy: 1.4971542043578592
Energy: 1.4919403948243797
Energy: 1.9296728101859404
Energy: 1.6320034362831939
Energy: 1.714932687326443
Energy: 1.6320034362855598
Energy: 1.9267118544144397
Energy: 1.684644353944744
Energy: 1.717311969621415
Energy: 1.684644353944744
Energy: 1.9383960624493701
Energy: 1.4550322284839006
Energy: 1.492069903869791
Energy: 1.455032228481535
Energy: 1.4701492281182575
Energy: 1.5363404026009155
Energy: 1.494947977819695
Energy: 1.5363404026009155

minimum gb energy = 1.427701200970617 eV
minimum distance =  2.27650517808156 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.8493059936030558
Energy: 1.8089737866419517
Energy: 2.8718343389717917
Energy: 1.8089737866406121
Energy: 1.7680751865424278
Energy: 1.6311404233010454
Energy: 1.6211072787460452
Energy: 1.6311404232997055
Energy: 1.6221523653546035
Energy: 1.575497087756849
Energy: 1.531748665493905
Energy: 1.5754970877581889
Energy: 1.4878836720879034
Energy: 1.5714987762606993
Energy: 1.6236107814897889
Energy: 1.5714987762606993
Energy: 1.5621304741418247
Energy: 1.5963659091266427
Energy: 1.8272085840236623
Energy: 1.5963659091279827
Energy: 2.000467228413699
Energy: 1.6707848636566334
Energy: 1.4881981428361692
Energy: 1.670784863659313
Energy: 1.6877349083652593
Energy: 1.6432778861262738
Energy: 1.8208511778402579
Energy: 1.6432778861249342
Energy: 1.5587708533666804
Energy: 1.5316243228178965
Energy: 1.9227345672865506
Energy: 1.531624322815217
Energy: 1.5822791297302274
Energy: 1.5409232038235816
Energy: 1.4869358294518775
Energy: 1.5409232038195624
Energy: 1.8593886700701954
Energy: 1.5872879328925786
Energy: 1.6076860552537724
Energy: 1.587287932895258
Energy: 1.4901703904338222
Energy: 1.5291133484688102
Energy: 1.8678581582823244
Energy: 1.5291133484674706
Energy: 1.4838472206819233
Energy: 1.617889534769901
Energy: 1.6496086135297732
Energy: 1.617889534769901
Energy: 1.8584686476731616
Energy: 1.6321523660733797
Energy: 1.6060108664281785
Energy: 1.6321523660747195
Energy: 1.4921875961590083
Energy: 1.527966257706824
Energy: 1.5983231515279555
Energy: 1.5279662577041444
Energy: 1.483464361668732
Energy: 1.627918431132091
Energy: 1.9019974529774812
Energy: 1.6279184311307509
Energy: 1.810551965781215
Energy: 1.5412143883233058
Energy: 1.491045709817866
Energy: 1.541214388321966
Energy: 1.5654847110629966
Energy: 1.644382944202815
Energy: 1.4981044804664982
Energy: 1.6443829442054947
Energy: 1.5611837372275594
Energy: 1.6063830592665973
Energy: 1.7815969044345659
Energy: 1.6063830592652575
Energy: 1.677119014524156
Energy: 1.657411615512272
Energy: 1.7929051849959659
Energy: 1.657411615512272
Energy: 1.9207962101056075
Energy: 1.6342221876547822
Energy: 1.7942611955405723
Energy: 1.6342221876561223
Energy: 1.5052157727245872
Energy: 1.5683067283755607
Energy: 1.7796831778384437
Energy: 1.568306728372881
Energy: 1.4965160477629478
Energy: 1.6340744922519554
Energy: 1.508898425465071
Energy: 1.6340744922506159
Energy: 1.7955637132778044
Energy: 1.525268088993475
Energy: 1.55022631473102
Energy: 1.525268088994815
Energy: 1.7926567331600252
Energy: 1.595787534080211
Energy: 1.8429780665024176
Energy: 1.5957875340788714
Energy: 1.8266097570219355
Energy: 1.6999950301834676
Energy: 1.8278290929510885
Energy: 1.6999950301834676
Energy: 1.804674315862191
Energy: 1.5432990541750466
Energy: 1.5529302402749556
Energy: 1.543299054172367
Energy: 1.525631680446502
Energy: 1.559270543347625
Energy: 1.5089556984867365
Energy: 1.559270543347625
Energy: 1.5006729829999035
Energy: 1.534931440219101
Energy: 1.8393751067017234
Energy: 1.534931440219101
Energy: 1.7063849154379895
Energy: 1.617771002102472
Energy: 1.7991997467581622
Energy: 1.617771002103812
Energy: 1.6686434584892627
Energy: 1.6623342091782822
Energy: 1.4920943692171893
Energy: 1.6623342091796218

minimum gb energy = 1.483464361668732 eV
minimum distance =  2.27964195454858 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.9488081439729439
Energy: 1.869087796875322
Energy: 3.0567111811842933
Energy: 1.869087796875322
Energy: 1.9424019987644345
Energy: 1.628012897778525
Energy: 1.545288915221153
Energy: 1.628012897778525
Energy: 1.5461775215964306
Energy: 1.5560409073854298
Energy: 1.669416864692184
Energy: 1.5560409073854298
Energy: 1.669349477129113
Energy: 1.558309590094815
Energy: 2.1360173421689965
Energy: 1.5583095900917305
Energy: 1.6168375347543593
Energy: 1.4214032873927112
Energy: 1.685341031202333
Energy: 1.4214032873957956
Energy: 2.362316400411888
Energy: 1.4267666605335998
Energy: 1.423194187675391
Energy: 1.4267666605335998
Energy: 1.6214891523282295
Energy: 1.424064056816129
Energy: 1.6866117623952395
Energy: 1.424064056816129
Energy: 1.669163565713778
Energy: 1.5569440232407876
Energy: 1.5461775215964306
Energy: 1.5569440232407876
Energy: 2.131519627851828
Energy: 1.558309590094815
Energy: 1.669349477129113
Energy: 1.558309590094815
Energy: 1.9421714316405043
Energy: 1.6292547000138284
Energy: 1.6168375347574435
Energy: 1.6292547000138284
Energy: 1.9488081439729439
Energy: 1.8690877968722375
Energy: 3.056711181181209
Energy: 1.869087796875322
Energy: 1.9424019987644345
Energy: 1.628012897778525
Energy: 1.5452889152149842
Energy: 1.628012897778525
Energy: 1.5461775215933462
Energy: 1.5560409073854298
Energy: 1.669416864692184
Energy: 1.5560409073823454

minimum gb energy = 1.4214032873927112 eV
minimum distance =  2.33121786222123 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.727421186641531
Energy: 1.831507249468428
Energy: 2.7716571035495816
Energy: 1.8315072494707112
Energy: 1.97825770247525
Energy: 1.734147658597353
Energy: 1.8163955076752551
Energy: 1.7341476585950697
Energy: 1.7222059226783695
Energy: 1.6569604985038
Energy: 1.5661002853611512
Energy: 1.656960498501517
Energy: 1.6118309594201512
Energy: 1.672432704252849
Energy: 1.788269303741253
Energy: 1.6724327042551324
Energy: 1.7402139044530822
Energy: 1.5964571500887967
Energy: 1.9916458580604772
Energy: 1.5964571500899383
Energy: 2.0730134406493432
Energy: 1.6148530331976285
Energy: 1.679568355352961
Energy: 1.6148530331964868
Energy: 1.7677048786247478
Energy: 1.7117082960155396
Energy: 2.012356358865727
Energy: 1.7117082960121148
Energy: 1.5559001739713956
Energy: 1.6213699610726564
Energy: 1.678871799794526
Energy: 1.6213699610737977
Energy: 1.6954130893099102
Energy: 1.641950652135846
Energy: 1.6367394512234505
Energy: 1.641950652135846
Energy: 1.7495655216712234
Energy: 1.635201384377702
Energy: 1.7145461192594265
Energy: 1.6352013843765605
Energy: 1.5631628423190387
Energy: 1.6171620765228512
Energy: 2.0422581244180953
Energy: 1.6171620765217096
Energy: 2.045523500887633
Energy: 1.70241634405438
Energy: 1.7171575265798806
Energy: 1.70241634405438
Energy: 1.7360850850746548
Energy: 1.611213844947729
Energy: 1.5664655214193577
Energy: 1.6112138449465876
Energy: 1.70963170275559
Energy: 1.7317145106246494
Energy: 1.7995699929242526
Energy: 1.7317145106246494
Energy: 1.694680009292612
Energy: 1.660558561775633
Energy: 1.661119813971924
Energy: 1.660558561775633
Energy: 2.010998639235677
Energy: 1.6125978957108213
Energy: 1.570724148413076
Energy: 1.6125978957131044
Energy: 1.745598250929532
Energy: 1.6401194921171978
Energy: 2.034824680890479
Energy: 1.6401194921149145
Energy: 1.5671228375414077
Energy: 1.6204333261604544
Energy: 1.7219350909536961
Energy: 1.620433326161596
Energy: 2.033548542601318
Energy: 1.6771340340153786
Energy: 1.702963279864807
Energy: 1.677134034014237
Energy: 1.6999545349550016
Energy: 1.64648093427186
Energy: 1.638171550333005
Energy: 1.6464809342741433
Energy: 1.5941899575769645
Energy: 1.6262341856566773
Energy: 2.025022008971679
Energy: 1.6262341856543945
Energy: 1.911662307057667
Energy: 1.7089322331777015
Energy: 1.7141966811449945
Energy: 1.7089322331777015
Energy: 1.7959281054236926
Energy: 1.6342494541667993
Energy: 1.6772604082768239
Energy: 1.6342494541667993
Energy: 1.7072892227479695
Energy: 1.7450634466037205
Energy: 2.0511589825235617
Energy: 1.745063446604862
Energy: 1.642680863111538
Energy: 1.6606406993577707
Energy: 1.6325654906893767
Energy: 1.6606406993566292
Energy: 1.8917507237367617
Energy: 1.6468265001693734
Energy: 1.5981977124733127
Energy: 1.6468265001716562
Energy: 1.8140666928783193
Energy: 1.7093588774891617
Energy: 1.9287698931705357
Energy: 1.7093588774925865
Energy: 1.685675926011503
Energy: 1.708894430910125
Energy: 1.9320809376326995
Energy: 1.7088944309112666
Energy: 2.0191037655255544
Energy: 1.7044533509010875
Energy: 1.6319896758599028
Energy: 1.704453350896521
Energy: 1.6468524354097682
Energy: 1.6960401830798326
Energy: 1.608137026345514
Energy: 1.6960401830764078
Energy: 1.6492536602123424
Energy: 1.706864422827033
Energy: 2.118552893758924
Energy: 1.70686442282475
Energy: 1.79733915049325
Energy: 1.7000089770779288
Energy: 1.68185195028543
Energy: 1.7000089770779288
Energy: 2.0581415372428546
Energy: 1.7105961936229719
Energy: 1.686108839468257
Energy: 1.7105961936229719
Energy: 1.6105748009506105
Energy: 1.6210812706024655
Energy: 2.027656316455992
Energy: 1.6210812706036068
Energy: 1.616732213548502
Energy: 1.646962816126965
Energy: 1.6464886417972855
Energy: 1.646962816126965

minimum gb energy = 1.5559001739713956 eV
minimum distance =  2.24762870855406 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.8100892982700192
Energy: 1.6260188587899203
Energy: 2.829370911883141
Energy: 1.6260188587917312
Energy: 1.7654563368931584
Energy: 1.6548587952441887
Energy: 1.7802395963870148
Energy: 1.6548587952423777
Energy: 1.6488646926042467
Energy: 1.6483545329926363
Energy: 1.5647074480288745
Energy: 1.6483545329926363
Energy: 1.6189766208579626
Energy: 1.5993882104896817
Energy: 1.7678144846246235
Energy: 1.5993882104914927
Energy: 1.7878934516367069
Energy: 1.6105899937001924
Energy: 1.8170918973460015
Energy: 1.61058999369657
Energy: 2.1608148191491523
Energy: 1.6323014782142773
Energy: 1.55276367944927
Energy: 1.6323014782124659
Energy: 1.7485623155236196
Energy: 1.7657983760144635
Energy: 1.8564794665908115
Energy: 1.765798376016275
Energy: 1.562205651001283
Energy: 1.5987149961075653
Energy: 1.7722897120196197
Energy: 1.5987149961075653
Energy: 1.8613294521517452
Energy: 1.648878997462156
Energy: 1.7525040740834903
Energy: 1.6488789974639675
Energy: 1.6041916610124842
Energy: 1.6585207834408073
Energy: 1.7242439668005485
Energy: 1.6585207834426186
Energy: 1.5588441286501007
Energy: 1.6127983870067404
Energy: 2.127264321149863
Energy: 1.612798387003118
Energy: 1.9809709688126353
Energy: 1.6629833806791785
Energy: 1.812144511499585
Energy: 1.6629833806791785
Energy: 1.7840598718818437
Energy: 1.62921140041266
Energy: 1.557149135426435
Energy: 1.62921140041266
Energy: 1.6486967811001028
Energy: 1.7506315119899496
Energy: 2.1652010206837855
Energy: 1.7506315119899496
Energy: 1.6143315616134655
Energy: 1.6528834268484578
Energy: 1.6232352920166817
Energy: 1.6528834268484578
Energy: 1.823874415785569
Energy: 1.6614687864414
Energy: 1.6085631957106639
Energy: 1.6614687864395885
Energy: 1.7293207041927992
Energy: 1.6442582639098975
Energy: 2.0803078284642567
Energy: 1.6442582639098975
Energy: 1.7240512661323237
Energy: 1.6359935164332153
Energy: 2.0800254879491034
Energy: 1.635993516431404
Energy: 1.968603204168305
Energy: 1.6914277407990888
Energy: 1.6212013073642275
Energy: 1.6914277407990888
Energy: 1.6168581772544153
Energy: 1.6772599474477634
Energy: 1.6086807283570892
Energy: 1.6772599474477634
Energy: 1.6546927374333669
Energy: 1.792026413878485
Energy: 2.103603594076804
Energy: 1.792026413878485
Energy: 1.7839055216078252
Energy: 1.6774955083875296
Energy: 1.5474014827870073
Energy: 1.6774955083875296

minimum gb energy = 1.5474014827870073 eV
minimum distance =  2.24786593263442 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.9402543571108246
Energy: 1.664359378685585
Energy: 2.8265343666688736
Energy: 1.664359378686866
Energy: 1.8761167532240044
Energy: 1.7074251061991532
Energy: 1.7569394711698583
Energy: 1.7074251061953112
Energy: 1.710370844780324
Energy: 1.661252220124833
Energy: 1.6136377251535525
Energy: 1.6612522201209907
Energy: 1.6870935395160498
Energy: 1.6205077669292782
Energy: 1.6602469040443004
Energy: 1.6205077669292782
Energy: 1.7508840456475314
Energy: 1.677520880030862
Energy: 1.6660379008265978
Energy: 1.6775208800347043
Energy: 2.1457399576144267
Energy: 1.622035200246586
Energy: 1.5710958120420049
Energy: 1.6220352002453053
Energy: 1.666979773032358
Energy: 1.6918914807568979
Energy: 2.0287708550216133
Energy: 1.6918914807415293
Energy: 1.5712430691373183
Energy: 1.6215342806546507
Energy: 1.7449652223672654
Energy: 1.6215342806546507
Energy: 1.96788167375575
Energy: 1.6595441837632015
Energy: 1.725129956120202
Energy: 1.6595441837632015
Energy: 1.719703085429289
Energy: 1.6748701904171053
Energy: 1.6873628983856095
Energy: 1.6748701904209475
Energy: 1.662435254598025
Energy: 1.68166873778737
Energy: 1.9006860397429137
Energy: 1.6816687377860893
Energy: 2.182191850231037
Energy: 1.67119185247455
Energy: 1.810760305805181
Energy: 1.6711918524758307
Energy: 2.2025106345160985
Energy: 1.6693558771412407
Energy: 1.8124425988532107
Energy: 1.6693558771373982
Energy: 1.723150748510592
Energy: 1.757855958914747
Energy: 2.080444983277466
Energy: 1.7578559589121856
Energy: 1.662885123407607
Energy: 1.677503936076819
Energy: 1.6639100525475106
Energy: 1.6775039360780997
Energy: 1.947507074130086
Energy: 1.9330931654238668
Energy: 1.706857606082068
Energy: 1.9330931654251473
Energy: 1.5795835236617206
Energy: 1.6426417875051595
Energy: 1.7458708364477713
Energy: 1.6426417875038786
Energy: 1.6613833078190907
Energy: 1.7263139030214667
Energy: 2.023358298959108
Energy: 1.7263139030214667
Energy: 2.205210579223694
Energy: 1.6432669562736093
Energy: 1.5796001567747413
Energy: 1.6432669562736093
Energy: 1.7572842127525432
Energy: 1.6752415219004753
Energy: 1.5632784379853175
Energy: 1.675241521899195
Energy: 1.7271908908701055
Energy: 1.7810179791334781
Energy: 1.6958492654269364
Energy: 1.7810179791321976
Energy: 1.7233109072944743
Energy: 1.6603270828850076
Energy: 1.605803547395742
Energy: 1.6603270828850076
Energy: 1.9871220828487168
Energy: 1.757628825922933
Energy: 1.749336182833364
Energy: 1.7576288259242134
Energy: 1.8206490157176602
Energy: 1.6683386065923067
Energy: 2.2184069285446135
Energy: 1.668338606591026
Energy: 1.8181140704727266
Energy: 1.6433196017519172
Energy: 1.7636031473322349
Energy: 1.6433196017557594
Energy: 1.9175586831606277
Energy: 1.6604197006272328
Energy: 1.6059059083282041
Energy: 1.6604197006285133
Energy: 1.6640355618251716
Energy: 1.6196330721159078
Energy: 1.7272528347596001
Energy: 1.6196330721133463
Energy: 1.7835837707130837
Energy: 1.6605428461412846
Energy: 1.9550256245988302
Energy: 1.660542846140004
Energy: 1.7786064317188124
Energy: 1.6185403817044097
Energy: 1.5636831936012383
Energy: 1.618540381706971
Energy: 1.9547252054583621
Energy: 1.7129177962510136
Energy: 1.954800347649208
Energy: 1.712917796249733
Energy: 1.5636812308264645
Energy: 1.618550062142876
Energy: 1.7786064317175319
Energy: 1.6185500621441564

minimum gb energy = 1.5632784379853175 eV
minimum distance =  2.29780742625449 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4627704066361138
Energy: 1.6323450768791337
Energy: 2.805495950384095
Energy: 1.6323450768747716
Energy: 1.9041721905919888
Energy: 1.5692791292402413
Energy: 1.606398808412123
Energy: 1.5692791292402413
Energy: 1.8961657043981652
Energy: 1.5754519509858804
Energy: 1.5178122152397135
Energy: 1.5754519509858804
Energy: 2.01665447507024
Energy: 1.6219648496087335
Energy: 1.6022639656356146
Energy: 1.6219648496087335
Energy: 2.0200723058969516
Energy: 1.6224740147265597
Energy: 1.605246145012491
Energy: 1.6224740147265597
Energy: 1.8807314916981446
Energy: 1.5037215679774731
Energy: 1.5048100962846653
Energy: 1.5037215679774731
Energy: 1.905312071258097
Energy: 1.502173613014463
Energy: 2.3029044670111647
Energy: 1.502173613014463
Energy: 1.461431230137814
Energy: 1.6223355878461136
Energy: 2.2989284060530237
Energy: 1.6223355878461136
Energy: 1.9990877030027672
Energy: 1.743066156035792
Energy: 1.605258764754406
Energy: 1.7430661560314298

minimum gb energy = 1.461431230137814 eV
minimum distance =  2.25530267004743 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.883888883232194
Energy: 1.6569078001781896
Energy: 2.4771502064297093
Energy: 1.6569078001793993
Energy: 2.0129921479210546
Energy: 1.6625099539336914
Energy: 1.745697121770207
Energy: 1.6625099539373207
Energy: 1.6117322979240252
Energy: 1.6156442007314469
Energy: 1.646230563973211
Energy: 1.6156442007326566
Energy: 1.6229758054137227
Energy: 1.753008226413222
Energy: 1.8110827104722123
Energy: 1.7530082264120126
Energy: 1.5411653783212875
Energy: 1.5971535217406798
Energy: 1.6008214406107635
Energy: 1.59715352173947
Energy: 1.7555930660198402
Energy: 1.6324270185062522
Energy: 1.5942100956687981
Energy: 1.6324270185074616
Energy: 1.725344930097821
Energy: 1.6357986332032135
Energy: 1.7818730559083311
Energy: 1.635798633205633
Energy: 1.726683144762129
Energy: 1.5889398108003938
Energy: 1.9032596204291283
Energy: 1.588939810799184
Energy: 2.090407783614103
Energy: 1.6046488898736897
Energy: 1.7265843226379705
Energy: 1.604648889876109
Energy: 1.9600088023430613
Energy: 1.5991287348326046
Energy: 1.7279165176795381
Energy: 1.5991287348326046
Energy: 1.6390872990564969
Energy: 1.6135403436500397
Energy: 1.6344615847345745
Energy: 1.6135403436476203
Energy: 1.6369124706495721
Energy: 1.6169917998106227
Energy: 1.5601702841572322
Energy: 1.6169917998106227
Energy: 1.841473147100502
Energy: 1.8025754870578368
Energy: 1.6743291868159238
Energy: 1.8025754870589366
Energy: 1.5800625056333972
Energy: 1.5968326460574906
Energy: 1.5748932179911492
Energy: 1.5968326460526512
Energy: 1.6757544799269617
Energy: 1.8482468784830712
Energy: 1.8931914230629752
Energy: 1.848246878484281
Energy: 2.0451134895237595
Energy: 1.6521949094601496
Energy: 1.745944927201797
Energy: 1.6521949094589397
Energy: 1.9236373054728557
Energy: 1.7668463559973882
Energy: 1.9048252592071329
Energy: 1.7668463559973882
Energy: 1.6657651136133351
Energy: 1.6061676571874173
Energy: 1.8370342072625603
Energy: 1.606167657188627
Energy: 1.7363759376126737
Energy: 1.6473509166533489
Energy: 1.6493479514155853
Energy: 1.6473509166545588
Energy: 1.6188175268527683
Energy: 1.6227295497844814
Energy: 1.5911808806941425
Energy: 1.6227295497856908
Energy: 1.6216715840562814
Energy: 1.7078246482642396
Energy: 1.6934033679611622
Energy: 1.7078246482654496
Energy: 1.7528917492932583
Energy: 1.599005502477407
Energy: 1.6325570159847878
Energy: 1.599005502477407
Energy: 1.5909734418329582
Energy: 1.6066745103614355
Energy: 1.62707008490082
Energy: 1.6066745103626454
Energy: 1.9321731417051362
Energy: 1.5939185010952495
Energy: 2.13809185672831
Energy: 1.593918501102508
Energy: 1.8777287634061857
Energy: 1.6028900644163742
Energy: 2.207232993156216
Energy: 1.6028900644163742
Energy: 1.8935370340096223
Energy: 1.5970946438000109
Energy: 1.6326079026155174
Energy: 1.597094643801221
Energy: 1.6728266536726832
Energy: 1.5924649718133583
Energy: 1.6274362751279372
Energy: 1.592464971814568
Energy: 1.6638115535229294
Energy: 1.7301647898070904
Energy: 1.8599437204619476
Energy: 1.7301647898070904
Energy: 1.6048847115296134
Energy: 1.6143258152757416
Energy: 1.590064334229631
Energy: 1.6143258152769515
Energy: 1.916829018013515
Energy: 1.7014557386891656
Energy: 1.7560652727074795
Energy: 1.7014557386879556
Energy: 1.7087901300754458
Energy: 1.600220102713419
Energy: 1.7425801664332616
Energy: 1.600220102713419
Energy: 1.7640557365503526
Energy: 1.566060520151373
Energy: 2.05372239090153
Energy: 1.5660605201525828
Energy: 2.0909588148980265
Energy: 1.6393404003586252
Energy: 1.7379799083612943
Energy: 1.6393404003598349

minimum gb energy = 1.5411653783212875 eV
minimum distance =  2.24119067516646 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.7559262983173507
Energy: 1.5107110198580802
Energy: 2.531859313450903
Energy: 1.5107110198564075
Energy: 1.5552382816334294
Energy: 1.7346247561636337
Energy: 1.5907316848196573
Energy: 1.7346247561653068
Energy: 1.6627896702409808
Energy: 1.5415316765930858
Energy: 1.6665032201889027
Energy: 1.5415316765930858
Energy: 1.5752765908584714
Energy: 1.5282778901822145
Energy: 1.6295096357558216
Energy: 1.5282778901805416
Energy: 1.4880372013705216
Energy: 1.5018363335641711
Energy: 1.492158494373671
Energy: 1.5018363335641711
Energy: 1.4910633362346466
Energy: 1.7553931541232688
Energy: 1.492956389325585
Energy: 1.7553931541249415
Energy: 1.6321166877895141
Energy: 1.5374673768467422
Energy: 1.6687676507384948
Energy: 1.5374673768467422
Energy: 1.6279413231775448
Energy: 1.532472877464625
Energy: 1.6739060046606333
Energy: 1.5324728774612795
Energy: 1.8249927043282343
Energy: 1.5007396497307433
Energy: 1.5830545776517302
Energy: 1.5007396497307433
Energy: 1.8249927043198704
Energy: 1.50041981212403
Energy: 1.583075079920199
Energy: 1.5004198121223573
Energy: 1.6277866285425946
Energy: 1.53191535550517
Energy: 1.6739060046589607
Energy: 1.53191535550517
Energy: 1.6322382447916084
Energy: 1.5375238910050917
Energy: 1.668767650736822
Energy: 1.5375238910050917
Energy: 1.490997386378733
Energy: 1.7554705743751482
Energy: 1.4932829044785163
Energy: 1.7554705743734758
Energy: 1.48802093477742
Energy: 1.501667670317778
Energy: 1.4926598807476414
Energy: 1.501667670317778
Energy: 1.5752562887702934
Energy: 1.5282784134767664
Energy: 1.6295661326340434
Energy: 1.528278413478439
Energy: 1.6627896702359628
Energy: 1.5415255867703401
Energy: 1.666713206772792
Energy: 1.5415255867703401
Energy: 1.5552036134189446
Energy: 1.735090836442957
Energy: 1.5907533040668973
Energy: 1.7350908364446296
Energy: 1.7559262983190234
Energy: 1.5107110198547347
Energy: 2.53185931344923
Energy: 1.5107110198564075
Energy: 1.5552382816284112
Energy: 1.7346247561653068
Energy: 1.5907316848213304
Energy: 1.7346247561669792
Energy: 1.6627896702409808
Energy: 1.5415316765914129
Energy: 1.6665032201972663
Energy: 1.5415316765930858
Energy: 1.5752765908551258
Energy: 1.5282778901822145
Energy: 1.6295096357558216
Energy: 1.5282778901805416
Energy: 1.4880372013738674
Energy: 1.5018363335641711
Energy: 1.4921584943719983
Energy: 1.5018363335624985
Energy: 1.4910633362346466
Energy: 1.7553931541249415
Energy: 1.4929563893239124
Energy: 1.7553931541232688
Energy: 1.6321166877895141
Energy: 1.5374673768467422
Energy: 1.668767650736822
Energy: 1.5374673768467422

minimum gb energy = 1.48802093477742 eV
minimum distance =  2.25302801573698 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.8290571532252409
Energy: 1.5660709327114994
Energy: 2.3077012816897478
Energy: 1.5660709327124394
Energy: 1.9403363954578554
Energy: 1.516186187712719
Energy: 1.8147092446572153
Energy: 1.5161861877168545
Energy: 1.5644011324411815
Energy: 1.5463719172090469
Energy: 1.6754144401487012
Energy: 1.5463719172111146
Energy: 1.6387242290862212
Energy: 1.7689806179864145
Energy: 1.8200073049100822
Energy: 1.7689806179864145
Energy: 1.5902760296154983
Energy: 1.5362624072160074
Energy: 1.5972794251127316
Energy: 1.5362624072171354
Energy: 1.6500419354707938
Energy: 1.6380511268089135
Energy: 1.6009962183133817
Energy: 1.6380511268077855
Energy: 1.6060502774558507
Energy: 1.5465695056342659
Energy: 1.5186427895778787
Energy: 1.5465695056310702
Energy: 1.6285714733304495
Energy: 1.5471172389670438
Energy: 1.575610628139145
Energy: 1.5471172389670438
Energy: 1.9659622388693998
Energy: 1.5521387352437253
Energy: 1.800933263477272
Energy: 1.5521387352427851
Energy: 2.0600512863215736
Energy: 1.55491950620566
Energy: 1.7970009445758506
Energy: 1.5549195062097956
Energy: 1.6762382333101176
Energy: 1.5499380829712155
Energy: 1.8708119456147414
Energy: 1.5499380829712155
Energy: 1.6728058383383446
Energy: 1.554216329108356
Energy: 1.760265692122438
Energy: 1.5542163291062885
Energy: 1.6377469225809014
Energy: 1.5534225082833544
Energy: 1.6154280155851237
Energy: 1.5534225082842943
Energy: 1.551594577456936
Energy: 1.539331137444338
Energy: 1.613946102839048
Energy: 1.5393311374422705
Energy: 1.5706184349949126
Energy: 1.5542153797609088
Energy: 1.6469655709495288
Energy: 1.5542153797629765
Energy: 1.561911697260495
Energy: 1.5493843531327016
Energy: 1.5968206880785938
Energy: 1.549384353131762
Energy: 1.7965694374672756
Energy: 1.599329617608203
Energy: 1.6316611945075943
Energy: 1.5993296176040677
Energy: 1.690306875109542
Energy: 1.5464701259311127
Energy: 1.815443556050494
Energy: 1.5464701259322406
Energy: 1.793340715029182
Energy: 1.7553936267429722
Energy: 1.7844699895658136
Energy: 1.75539362674504
Energy: 1.9734034291695552
Energy: 1.5755781628967211
Energy: 1.6982815078380615
Energy: 1.5755781628976608
Energy: 1.7384475447985377
Energy: 1.8285136225024203
Energy: 1.9005831425812134
Energy: 1.8285136225035483
Energy: 1.650802759944445
Energy: 1.5395256018942929
Energy: 1.545127920610353
Energy: 1.5395256018952326
Energy: 1.7370377288740735
Energy: 1.7583192166356898
Energy: 1.673800030905138
Energy: 1.7583192166356898
Energy: 1.5795569727859322
Energy: 1.543496581917886
Energy: 1.5339966312845876
Energy: 1.543496581916946
Energy: 1.6180688820587545
Energy: 1.6176878374034491
Energy: 1.6830081003689403
Energy: 1.6176878374023211
Energy: 1.5466786513728343
Energy: 1.5335439613262472
Energy: 1.6081100773355423
Energy: 1.5335439613241795
Energy: 1.818423187266704
Energy: 1.5452818629536815
Energy: 1.6709137833664456
Energy: 1.5452818629516136
Energy: 1.810846991064252
Energy: 1.565448257043284
Energy: 2.0937799479269286
Energy: 1.565448257042344
Energy: 1.8528247120883077
Energy: 1.5228062862451164
Energy: 2.0884713585588828
Energy: 1.5228062862451164
Energy: 1.5469315963588988
Energy: 1.5306710134810424
Energy: 1.6064343032080475
Energy: 1.5306710134821704
Energy: 1.563802021288232
Energy: 1.5392600755594463
Energy: 1.673852287457392
Energy: 1.5392600755583183
Energy: 1.5827194983179242
Energy: 1.552397982348391
Energy: 1.6153539079995696
Energy: 1.5523979823472633
Energy: 1.5819889088484391
Energy: 1.5430284067941387
Energy: 1.5429572708527235
Energy: 1.543028406793199
Energy: 1.6910211151643653
Energy: 1.5401394646971096
Energy: 1.5678576055200608
Energy: 1.540139464695982
Energy: 1.6190233610751357
Energy: 1.5351379634808155
Energy: 1.5915671019699311
Energy: 1.5351379634787474
Energy: 1.7876469851257302
Energy: 1.567895968747254
Energy: 1.8158660582895951
Energy: 1.567895968747254
Energy: 2.007257235435097
Energy: 1.5494942083645713
Energy: 1.6971132978721835
Energy: 1.5494942083634433
Energy: 1.8178134303924482
Energy: 1.546508384939483
Energy: 1.9059821012644163
Energy: 1.5465083849415506

minimum gb energy = 1.516186187712719 eV
minimum distance =  2.26238972971332 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.6843617453541426
Energy: 1.4213541997490022
Energy: 2.2910392801330084
Energy: 1.4213541997462973
Energy: 1.6802066232698942
Energy: 1.4289465289498502
Energy: 1.6905778895241947
Energy: 1.428946528947145
Energy: 1.5762780747377585
Energy: 1.4244279457741038
Energy: 1.4819740579624567
Energy: 1.4244279457741038
Energy: 1.5225216903530634
Energy: 1.6004919193903955
Energy: 1.7263164354634517
Energy: 1.6004919193903955
Energy: 1.5311428420805855
Energy: 1.4484940615494015
Energy: 1.4376989712673547
Energy: 1.4484940615466964
Energy: 1.506620286683482
Energy: 1.5832243188704136
Energy: 1.5765190388293615
Energy: 1.5832243188704136
Energy: 1.5077629751934305
Energy: 1.418514255437001
Energy: 1.4379546301737927
Energy: 1.418514255437001
Energy: 1.5108169199629853
Energy: 1.6048529730340237
Energy: 1.6481460076462868
Energy: 1.604852973036729
Energy: 1.576945634370089
Energy: 1.4486523059946768
Energy: 1.4688001320193642
Energy: 1.4486523059946768
Energy: 1.7929240692890396
Energy: 1.4490610759895644
Energy: 1.517885917195539
Energy: 1.4490610759895644
Energy: 1.6379590765597698
Energy: 1.4211013690707641
Energy: 1.6472942420391166
Energy: 1.4211013690734693
Energy: 1.64296280795113
Energy: 1.419901525092736
Energy: 1.6471618465969935
Energy: 1.4199015250900309
Energy: 1.5751805862108015
Energy: 1.4454491922474157
Energy: 1.4688671509773101
Energy: 1.4454491922474157
Energy: 1.5786280109378588
Energy: 1.4523212742982783
Energy: 1.4707440945728916
Energy: 1.4523212742982783
Energy: 1.5072683774476354
Energy: 1.4463369270691873
Energy: 1.5341877154672798
Energy: 1.4463369270691873

minimum gb energy = 1.418514255437001 eV
minimum distance =  2.26260769159517 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.576716148881026
Energy: 1.396586376910038
Energy: 2.0561658866522605
Energy: 1.396586376910038
Energy: 1.6655135225287094
Energy: 1.5977586454822996
Energy: 1.5302307528402102
Energy: 1.5977586454811659
Energy: 1.4811003685212745
Energy: 1.358319311619437
Energy: 1.5315450724437905
Energy: 1.358319311618303
Energy: 1.551403434175982
Energy: 1.657345039997213
Energy: 1.5308699768359366
Energy: 1.6573450400006144
Energy: 1.440443828887022
Energy: 1.3752954619744162
Energy: 1.419186462549054
Energy: 1.3752954619744162
Energy: 1.6019938183572586
Energy: 1.497423956343306
Energy: 1.5044402572901263
Energy: 1.497423956343306
Energy: 1.4453373511898575
Energy: 1.3576796426937179
Energy: 1.4598407418482033
Energy: 1.357679642692584
Energy: 1.5022462260849316
Energy: 1.5760280543134533
Energy: 1.44526730235191
Energy: 1.5760280543146905
Energy: 1.4049775630733823
Energy: 1.3714506643622815
Energy: 1.4257401761745
Energy: 1.3714506643633124
Energy: 1.6877234162083943
Energy: 1.5049856564553517
Energy: 1.5388885558812195
Energy: 1.5049856564563826
Energy: 1.524083067767792
Energy: 1.3567051593378632
Energy: 1.468482578483141
Energy: 1.3567051593378632
Energy: 1.5280536128530282
Energy: 1.4667472917121696
Energy: 1.721405304027545
Energy: 1.4667472917133038
Energy: 1.5196876774614525
Energy: 1.3964251326735984
Energy: 1.5505243092184824
Energy: 1.3964251326724646
Energy: 1.5380469632764906
Energy: 1.3904843229963746
Energy: 1.6922205462989457
Energy: 1.3904843229941073
Energy: 1.5250055378265748
Energy: 1.3565788081856824
Energy: 1.467838797018429
Energy: 1.356578808182281
Energy: 1.515857834484371
Energy: 1.364282402409432
Energy: 1.481413567315474
Energy: 1.364282402408298
Energy: 1.5201075012784058
Energy: 1.370771057199291
Energy: 1.4254469456851462
Energy: 1.3707710571980545
Energy: 1.4175893222847422
Energy: 1.3789499888763534
Energy: 1.5387808079273086
Energy: 1.3789499888751164
Energy: 1.4459094327637425
Energy: 1.3651969491713758
Energy: 1.4569482934131792
Energy: 1.3651969491725096
Energy: 1.4569434914578996
Energy: 1.3649266488098732
Energy: 1.4460131289085427
Energy: 1.364926648811007
Energy: 1.5387590657244685
Energy: 1.3789534717146674
Energy: 1.417691046475105
Energy: 1.3789534717113692
Energy: 1.425263918305157
Energy: 1.3707371307202294
Energy: 1.5201075012806733
Energy: 1.3707371307212604
Energy: 1.481413567315474
Energy: 1.364289749715748
Energy: 1.5159861618389843
Energy: 1.3642897497191497
Energy: 1.4678387970093583
Energy: 1.3565332377897947
Energy: 1.524983508926209
Energy: 1.3565332377875268
Energy: 1.6926882460786805
Energy: 1.3899125856723542
Energy: 1.5359252090328894
Energy: 1.3899125856723542
Energy: 1.5509295103410385
Energy: 1.396433130408279
Energy: 1.5196876774682557
Energy: 1.3964331304071453
Energy: 1.7230888795924397
Energy: 1.4668060261531912
Energy: 1.5290196904627649
Energy: 1.4668060261497897
Energy: 1.4684825784854088
Energy: 1.3566218181763938
Energy: 1.5241269017101378
Energy: 1.3566218181763938
Energy: 1.538821659196817
Energy: 1.5037989146255915
Energy: 1.6898310115349517
Energy: 1.5037989146243544
Energy: 1.4257110894305818
Energy: 1.3714724451994906
Energy: 1.4050574007593533
Energy: 1.3714724451982536
Energy: 1.4455805702241706
Energy: 1.5758716096965764
Energy: 1.501979221140235
Energy: 1.5758716096932779
Energy: 1.459847405833259
Energy: 1.3575368698389498
Energy: 1.4453978030942984
Energy: 1.3575368698400836
Energy: 1.5064401366637465
Energy: 1.5049463930459273
Energy: 1.6019529199907876
Energy: 1.5049463930424227
Energy: 1.4192075373936004
Energy: 1.3753323855073651
Energy: 1.4403562265954721
Energy: 1.3753323855050976
Energy: 1.5305014871836238
Energy: 1.657186596779654
Energy: 1.5516775800661806
Energy: 1.6571865967717172

minimum gb energy = 1.3565332377875268 eV
minimum distance =  2.2671122946448 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.5585873345411745
Energy: 1.2851624047936212
Energy: 1.9450171757622814
Energy: 1.2851624047936212
Energy: 1.4198275622790237
Energy: 1.7000667096452482
Energy: 1.4826821853859995
Energy: 1.7000667096452482
Energy: 1.4144177232162753
Energy: 1.2524972910500813
Energy: 1.5314393419778292
Energy: 1.252497291052032
Energy: 1.5276501226145656
Energy: 1.6195391910523553
Energy: 1.4831719531177776
Energy: 1.619539191054306
Energy: 1.4134761448892688
Energy: 1.250640675638799
Energy: 1.4419597062187122
Energy: 1.250640675638799
Energy: 1.5298155058344356
Energy: 1.6195606612499855
Energy: 1.428842712304003
Energy: 1.6195606612519364
Energy: 1.3579591027310844
Energy: 1.249704446461687
Energy: 1.4469586550072904
Energy: 1.2497044464655886
Energy: 1.4458117299060447
Energy: 1.7390900213646974
Energy: 1.4696413116647062
Energy: 1.7390900213646974
Energy: 1.3659848475880703
Energy: 1.2504163971604088
Energy: 1.4238840315640575
Energy: 1.2504163971623594
Energy: 1.536137666971843
Energy: 1.4638867640995474
Energy: 1.4219276477708744
Energy: 1.4638867640995474
Energy: 1.393383776257007
Energy: 1.2531157250256884
Energy: 1.4529405305802308
Energy: 1.2531157250256884
Energy: 1.4011728351538721
Energy: 1.274418649685051
Energy: 1.598492184816064
Energy: 1.2744186496870016
Energy: 1.4151797041270002
Energy: 1.250550094480673
Energy: 1.4841723156749176
Energy: 1.250550094480673
Energy: 1.41823772665525
Energy: 1.2537054749993637
Energy: 1.4843036348108447
Energy: 1.2537054749993637
Energy: 1.5125542139289976
Energy: 1.2866555294048112
Energy: 1.4468839927439017
Energy: 1.2866555294048112
Energy: 1.4882203267377667
Energy: 1.2909311123093212
Energy: 1.4287384123891622
Energy: 1.2909311123112719
Energy: 1.4144748900501347
Energy: 1.250365726834751
Energy: 1.4840909596870246
Energy: 1.250365726834751
Energy: 1.4515002245867237
Energy: 1.251870069942749
Energy: 1.4844752910446921
Energy: 1.2518700699446996
Energy: 1.3935198367144153
Energy: 1.2495005338348788
Energy: 1.4399135268901304
Energy: 1.2495005338368297
Energy: 1.4011597332955257
Energy: 1.2748887751352738
Energy: 1.4548962459008208
Energy: 1.2748887751333229

minimum gb energy = 1.2495005338348788 eV
minimum distance =  2.26297376159206 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.4717415557599174
Energy: 1.1668160888751373
Energy: 1.6773765392866289
Energy: 1.1668160888766608
Energy: 1.3613362359045789
Energy: 1.409599163081457
Energy: 1.363447991140355
Energy: 1.409599163081457
Energy: 1.2833379167659895
Energy: 1.1500525692296937
Energy: 1.4324653502976155
Energy: 1.150052569231217
Energy: 1.3397401543786343
Energy: 1.564866967228682
Energy: 1.3638473341943205
Energy: 1.564866967224112
Energy: 1.3467725945576385
Energy: 1.1328254936220032
Energy: 1.2854308712992193
Energy: 1.1328254936220032
Energy: 1.3393786899418192
Energy: 1.3752723066591968
Energy: 1.3533195429026685
Energy: 1.37527230666072
Energy: 1.246873702503201
Energy: 1.1319197347585677
Energy: 1.3338824040195043
Energy: 1.131919734760091
Energy: 1.3533309207935509
Energy: 1.528573369663814
Energy: 1.3936720412263244
Energy: 1.5285733696622907
Energy: 1.2741847961530666
Energy: 1.132296107663441
Energy: 1.2823202820934798
Energy: 1.132296107663441
Energy: 1.3605570125614608
Energy: 1.6277509763638867
Energy: 1.3100130790139075
Energy: 1.6277509763638867
Energy: 1.287526186313886
Energy: 1.130789204648355
Energy: 1.2971568847732626
Energy: 1.130789204648355
Energy: 1.3346370626579864
Energy: 1.367488434013548
Energy: 1.4028780242083483
Energy: 1.3674884340150713
Energy: 1.2415001519634956
Energy: 1.1316817053545674
Energy: 1.3238157054102158
Energy: 1.1316817053560906
Energy: 1.362358029515285
Energy: 1.378461354660821
Energy: 1.312333470694219
Energy: 1.3784613546623443
Energy: 1.3288662410765903
Energy: 1.1306485665102313
Energy: 1.289169930022391
Energy: 1.1306485665087078
Energy: 1.3474117974113242
Energy: 1.3022362416875326
Energy: 1.3470155994244726
Energy: 1.3022362416875326
Energy: 1.277197937373547
Energy: 1.147149908352086
Energy: 1.3933905065272811
Energy: 1.1471499083536092
Energy: 1.3008440610999752
Energy: 1.2345123571715575
Energy: 1.358512436464723
Energy: 1.234512357168511
Energy: 1.3972322063118243
Energy: 1.171174580810268
Energy: 1.2920523685731002
Energy: 1.1711745808117913
Energy: 1.3588132531467285
Energy: 1.166397498593974
Energy: 1.3457621557972441
Energy: 1.166397498595497
Energy: 1.276962147073211
Energy: 1.1446127488117255
Energy: 1.3924471893654997
Energy: 1.1446127488088176
Energy: 1.3677535916808858
Energy: 1.1526915695048277
Energy: 1.3581830883088724
Energy: 1.1526915695063509
Energy: 1.3287574261643944
Energy: 1.1314172568124532
Energy: 1.2929796154898017
Energy: 1.1314172568124532
Energy: 1.3835948965519624
Energy: 1.1313753785846647
Energy: 1.3508239890748357
Energy: 1.1313753785846647
Energy: 1.252681854326678
Energy: 1.1308105993223858
Energy: 1.320470253846441
Energy: 1.1308105993208626
Energy: 1.3313801642614294
Energy: 1.1478253218594616
Energy: 1.312615943616667
Energy: 1.1478253218594616

minimum gb energy = 1.1306485665087078 eV
minimum distance =  2.27701466575899 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.4386677820605167
Energy: 1.0935576456939706
Energy: 1.4969905174243148
Energy: 1.0935576456952196
Energy: 1.2519894558889657
Energy: 1.3130113314034157
Energy: 1.2523326140999955
Energy: 1.3130113314034157
Energy: 1.1816093964254448
Energy: 1.0686627493381158
Energy: 1.3569919709690272
Energy: 1.068662749336867
Energy: 1.2423966412280596
Energy: 1.5587418740244692
Energy: 1.2516101036424276
Energy: 1.5587418740244692
Energy: 1.338365403467839
Energy: 1.0510039361427466
Energy: 1.177785512452149
Energy: 1.0510039361427466
Energy: 1.2419828026244593
Energy: 1.0763278094927744
Energy: 1.2362916473181609
Energy: 1.0763278094927744
Energy: 1.2064353110274493
Energy: 1.0419786826601838
Energy: 1.272248760146397
Energy: 1.0419786826614326
Energy: 1.2442562773403762
Energy: 1.3124370054825343
Energy: 1.2369330924479442
Energy: 1.3124370054887784
Energy: 1.267782278035923
Energy: 1.041237346886107
Energy: 1.2011533775066974
Energy: 1.041237346884858
Energy: 1.2884313860958585
Energy: 1.5718828693880704
Energy: 1.245628247963478
Energy: 1.5718828693880704
Energy: 1.220923919081902
Energy: 1.0398952134807689
Energy: 1.2167887206048484
Energy: 1.0398952134807689
Energy: 1.2273634177020225
Energy: 1.5567431056039887
Energy: 1.2687593438199238
Energy: 1.5567431056027397
Energy: 1.2293273256734316
Energy: 1.0392068392121259
Energy: 1.225092772903454
Energy: 1.0392068392121259
Energy: 1.294449935083073
Energy: 1.296038749350104
Energy: 1.2482509292135509
Energy: 1.2960387493526018
Energy: 1.2626316421722632
Energy: 1.0403186656939167
Energy: 1.184208812791633
Energy: 1.0403186656951655
Energy: 1.2351016921798272
Energy: 1.301861944364272
Energy: 1.3047411137721399
Energy: 1.3018619443617745
Energy: 1.2189057490299022
Energy: 1.0390503154255697
Energy: 1.2685581327904103
Energy: 1.0390503154255697
Energy: 1.2354078440750362
Energy: 1.2223904269552308
Energy: 1.2640351120633462
Energy: 1.2223904269539818
Energy: 1.3287859224253347
Energy: 1.0479382656851925
Energy: 1.1798552287715673
Energy: 1.0479382656839435
Energy: 1.2664958477935386
Energy: 1.3677378145107424
Energy: 1.230791685727065
Energy: 1.3677378145119912
Energy: 1.177505307970016
Energy: 1.0637859015487894
Energy: 1.2866670757292844
Energy: 1.0637859015450428
Energy: 1.2223432740738398
Energy: 1.1531906859893124
Energy: 1.2556248407770907
Energy: 1.15319068599181
Energy: 1.3926841820440272
Energy: 1.086109513919775
Energy: 1.1837211106947292
Energy: 1.086109513919775
Energy: 1.2697599539549207
Energy: 1.1538979613854832
Energy: 1.2380867491461567
Energy: 1.1538979613854832
Energy: 1.1910208711533135
Energy: 1.0615913619367754
Energy: 1.2877849719724435
Energy: 1.061591361938024
Energy: 1.235234226959497
Energy: 1.1495965695109591
Energy: 1.2558957224683285
Energy: 1.1495965695084616
Energy: 1.3273546058135692
Energy: 1.0461354865827799
Energy: 1.1831053911527882
Energy: 1.0461354865790333
Energy: 1.2547675161778602
Energy: 1.0616533294281916
Energy: 1.2432659390847542
Energy: 1.0616533294294401
Energy: 1.204796684676312
Energy: 1.0378977219276206
Energy: 1.2661083180255106
Energy: 1.037897721926372
Energy: 1.242619330160827
Energy: 1.0545339273785959
Energy: 1.247086426846886
Energy: 1.0545339273773469
Energy: 1.262956661010385
Energy: 1.037999355922334
Energy: 1.1986331522345064
Energy: 1.037999355922334
Energy: 1.2398765642111687
Energy: 1.0661042639482416
Energy: 1.2455542763117995
Energy: 1.0661042639482416

minimum gb energy = 1.037897721926372 eV
minimum distance =  2.28463138557127 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3616733786927724
Energy: 1.0225421800464003
Energy: 1.3610218648442356
Energy: 1.0225421800442844
Energy: 1.1865423978806453
Energy: 1.2188729177207769
Energy: 1.1723503103792527
Energy: 1.2188729177071198
Energy: 1.1039356319543407
Energy: 0.9999926510201084
Energy: 1.2478734974542616
Energy: 0.9999926510212624
Energy: 1.16450252350008
Energy: 1.0672371199257211
Energy: 1.1713943775334257
Energy: 1.0672371199647686
Energy: 1.2801826701439434
Energy: 0.9861314370276487
Energy: 1.0987138250743085
Energy: 0.9861314370297646
Energy: 1.1646092307940399
Energy: 1.0753095031955209
Energy: 1.1580950671250059
Energy: 1.0753095032705384
Energy: 1.1180052861912892
Energy: 0.9753326956236062
Energy: 1.2105121931221277
Energy: 0.9753326956236062
Energy: 1.155654228363646
Energy: 1.511976292389909
Energy: 1.1584947138809092
Energy: 1.5119762923910631
Energy: 1.2163350969519977
Energy: 0.9713322035711482
Energy: 1.1194102038139073
Energy: 0.9713322035699941
Energy: 1.1554263762317198
Energy: 1.084251358051818
Energy: 1.1599920068537724
Energy: 1.0842513580475863
Energy: 1.1450926165191104
Energy: 0.9702109134139665
Energy: 1.1786335902009104
Energy: 0.9702109134160823
Energy: 1.1609055196563143
Energy: 1.5203692667471955
Energy: 1.1975287312309744
Energy: 1.5203692667481574
Energy: 1.169732145801222
Energy: 0.9697073829050509
Energy: 1.1346527488789087
Energy: 0.9697073829050509
Energy: 1.1684842511816014
Energy: 1.5078800926874987
Energy: 1.1599063121756832
Energy: 1.5078800926863445
Energy: 1.1672339846339344
Energy: 0.968319263169125
Energy: 1.1558219489121981
Energy: 0.968319263167009
Energy: 1.177432102530877
Energy: 1.5167292710231974
Energy: 1.201384023200669
Energy: 1.5167292710231974
Energy: 1.1357414142773965
Energy: 0.9691598655735848
Energy: 1.165718518357859
Energy: 0.9691598655745465
Energy: 1.20602244822023
Energy: 1.4090765617836902
Energy: 1.1690507469040852
Energy: 1.4090765617836902
Energy: 1.210293524691188
Energy: 0.9686953890348885
Energy: 1.1446035415870104
Energy: 0.9686953890348885
Energy: 1.1619746901967107
Energy: 1.2618688203495794
Energy: 1.1529815804765267
Energy: 1.2618688203507333
Energy: 1.1231073059809966
Energy: 0.9723107943711736
Energy: 1.217653930273293
Energy: 0.9723107943700195
Energy: 1.1594980788159843
Energy: 1.2370744832217806
Energy: 1.167859638677276
Energy: 1.2370744832238965
Energy: 1.209655031712362
Energy: 0.9838619621067801
Energy: 1.1159765024674762
Energy: 0.9838619621079343
Energy: 1.1726332345062886
Energy: 1.0689707625541653
Energy: 1.1635181780724193
Energy: 1.0689707625595513
Energy: 1.1024563389224382
Energy: 0.9973440286505524
Energy: 1.2371017743496466
Energy: 0.9973440286526684
Energy: 1.144721587410366
Energy: 1.078581888490192
Energy: 1.1878729762334592
Energy: 1.0785818884869223
Energy: 1.2529863159172479
Energy: 1.0176124935380502
Energy: 1.1016351506520863
Energy: 1.017612493535934
Energy: 1.1896635327136975
Energy: 1.0915889060518065
Energy: 1.1638615484807218
Energy: 1.091588906043343
Energy: 1.2015782797186711
Energy: 0.9968570595409556
Energy: 1.2313139669404576
Energy: 0.9968570595442255
Energy: 1.1590529466987953
Energy: 1.0767463681480558
Energy: 1.1878346157813005
Energy: 1.0767463681395923
Energy: 1.2093458977814115
Energy: 0.982537388141071
Energy: 1.1018373513518274
Energy: 0.9825373881431869
Energy: 1.1726142257478898
Energy: 1.006009716752142
Energy: 1.152638292985406
Energy: 1.0060097167552196
Energy: 1.117307707094203
Energy: 0.9710687580071036
Energy: 1.217583013357599
Energy: 0.9710687580059495
Energy: 1.157970154139987
Energy: 1.0751588974703383
Energy: 1.16792049093035
Energy: 1.0751588974693764
Energy: 1.2048150496255878
Energy: 0.9673600275892487
Energy: 1.120848541650997
Energy: 0.9673600275904028
Energy: 1.1633884435739916
Energy: 0.9988557751682243
Energy: 1.158958129530362
Energy: 0.9988557751757261
Energy: 1.1367113707051202
Energy: 0.9673016651459972
Energy: 1.1648878120114017
Energy: 0.967301665146959

minimum gb energy = 0.9673016651459972 eV
minimum distance =  2.2845868624053 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.246046983155409
Energy: 0.9290267715234843
Energy: 1.3101252160529713
Energy: 0.9290267715216491
Energy: 1.044871467718184
Energy: 1.1033726346533683
Energy: 1.06001006966463
Energy: 1.1033726346515333
Energy: 0.9722253491672829
Energy: 0.9256935382056182
Energy: 1.2685830207082878
Energy: 0.925693538201948
Energy: 1.0377374154354417
Energy: 0.9451427621961738
Energy: 1.0598974654903985
Energy: 0.9451427621970913
Energy: 1.1701955415171958
Energy: 0.8877042450666875
Energy: 0.9754930630891179
Energy: 0.8877042450657701
Energy: 1.0375813878724653
Energy: 0.8685426759769981
Energy: 1.0562592714776151
Energy: 0.8685426759760806
Energy: 1.0006882879620254
Energy: 0.8885299389812843
Energy: 1.1826752827179516
Energy: 0.8885299389803667
Energy: 1.0484769498632405
Energy: 1.0288946169510564
Energy: 1.0562172202147522
Energy: 1.0288946169501387
Energy: 1.109593278392189
Energy: 0.8665668669224993
Energy: 1.03302224485182
Energy: 0.8665668669206641
Energy: 1.0489760456761346
Energy: 1.4084765956197614
Energy: 1.0511377308487233
Energy: 1.4084765956188436
Energy: 1.0168926693347797
Energy: 0.8663907967223384
Energy: 1.1156009408870287
Energy: 0.8663907967241735
Energy: 1.056377243974113
Energy: 1.4093387082507134
Energy: 1.0513366223507896
Energy: 1.4093387082516309
Energy: 1.0751008505207347
Energy: 0.8662591658158472
Energy: 1.042826493144977
Energy: 0.8662591658167647
Energy: 1.0900481031425362
Energy: 1.4421127573567882
Energy: 1.0576371425436055
Energy: 1.4421127573567882
Energy: 1.034285658409769
Energy: 0.8658608261126235
Energy: 1.0671708125774646
Energy: 0.8658608261144586
Energy: 1.0536025130656554
Energy: 1.4346148541445454
Energy: 1.0624511919999133
Energy: 1.4346148541445454
Energy: 1.0415776134716939
Energy: 0.8662499857516559
Energy: 1.0515956819756975
Energy: 0.8662499857534911
Energy: 1.056242960036744
Energy: 1.4380988324672552
Energy: 1.0576726182636298
Energy: 1.438098832470008
Energy: 1.057088621781521
Energy: 0.8646193658056364
Energy: 1.0390483923088654
Energy: 0.8646193658065539
Energy: 1.0525083024416524
Energy: 1.3108348007809827
Energy: 1.0892440593893347
Energy: 1.3108348007791475
Energy: 1.005960869195285
Energy: 0.8660232897365994
Energy: 1.077658227957468
Energy: 0.8660232897365994
Energy: 1.0443143385667473
Energy: 1.3429786092255185
Energy: 1.0560808978816114
Energy: 1.3429786092236835
Energy: 1.0887799587271512
Energy: 0.8642429060337187
Energy: 1.042490989652382
Energy: 0.8642429060346363
Energy: 1.0636542817445807
Energy: 0.9915443841182738
Energy: 1.0358749416514612
Energy: 0.9915443840889123
Energy: 1.0088952368564301
Energy: 0.886697535499606
Energy: 1.1152633377331087
Energy: 0.8866975354986883
Energy: 1.041380796037568
Energy: 1.2943613500317783
Energy: 1.0513538285091886
Energy: 1.2943613500317783
Energy: 1.1405120256238943
Energy: 0.8885615517339113
Energy: 0.9763165361459841
Energy: 0.8885615517339113
Energy: 1.0731170183419698
Energy: 0.9548187044890021
Energy: 1.0293238293992926
Energy: 0.9548187044899197
Energy: 0.9711680424468933
Energy: 0.9257447479605752
Energy: 1.151179504282025
Energy: 0.9257447479596574
Energy: 1.0474677302255517
Energy: 0.9944471366042105
Energy: 1.060072351964101
Energy: 0.9944471366078806
Energy: 1.192354305256866
Energy: 0.9302440499256918
Energy: 0.9782432990648295
Energy: 0.9302440499284443
Energy: 1.0957925999191378
Energy: 0.9661283511385281
Energy: 1.027248375992225
Energy: 0.9661283511394456
Energy: 0.9757723316933198
Energy: 0.925484345338239
Energy: 1.1511040373038757
Energy: 0.9254843453373214
Energy: 1.041779878967338
Energy: 0.9465550448975562
Energy: 1.0599860757246058
Energy: 0.9465550448957211
Energy: 1.1410404389733626
Energy: 0.8887733103275514
Energy: 0.9778254945773737
Energy: 0.888773310328469
Energy: 1.0732415436304081
Energy: 0.9612421698853735
Energy: 1.0356642452125127
Energy: 0.9612421698872086
Energy: 0.9999812044152315
Energy: 0.8868958425957462
Energy: 1.1153616363604566
Energy: 0.8868958425957462
Energy: 1.0440916195318288
Energy: 0.8630631942366632
Energy: 1.0519799621744446
Energy: 0.8630631942366632
Energy: 1.0897006011677655
Energy: 0.8643376322444172
Energy: 1.0292148953032128
Energy: 0.8643376322444172
Energy: 1.0638455646566338
Energy: 0.9720309913935762
Energy: 1.0505429153904176
Energy: 0.9720309913917411
Energy: 1.0130362177402037
Energy: 0.8643457974298381
Energy: 1.0780024858778152
Energy: 0.8643457974316733
Energy: 1.0560772044775908
Energy: 0.8706509325819511
Energy: 1.0564978230193314
Energy: 0.8706509325810337
Energy: 1.0570458460118803
Energy: 0.8577635744967191
Energy: 1.0470880481317952
Energy: 0.8577635744967191

minimum gb energy = 0.8577635744967191 eV
minimum distance =  2.28565536822712 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.048215522092208675
Energy: 0.049565546733721835
Energy: 1.4318114265892299
Energy: 0.04956554673027339
Energy: 0.05091132920077099
Energy: 0.8812117552247273
Energy: 0.05091132920147636
Energy: 0.8812117552254326
Energy: 1.4318114265871138
Energy: 0.04956554673309485
Energy: 0.048215522092208675
Energy: 0.049565546732389484
Energy: 0.050911329200144
Energy: 0.8812117552268435
Energy: 0.05091132919873327
Energy: 0.881211755226138
Energy: 0.0482155220915033
Energy: 0.04956554673513257
Energy: 1.4318114265871138
Energy: 0.049565546735837934
Energy: 0.05091132919943864
Energy: 0.8812117552302917
Energy: 0.05091132920077099
Energy: 0.8812117552281757

minimum gb energy = 0.0482155220915033 eV
minimum distance =  2.42560817657788 Angstroms
sigma value = 1