Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000764727593
cohesive_energy=4.450350029950939
mass=58.6934
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: 0.018158097555331362
Energy: 0.01920726804601481
Energy: 0.018980380302184026
Energy: 0.01920726804601481
Energy: 0.01920726804601481
Energy: 1.3940159325948287
Energy: 0.01920726804601481
Energy: 1.3940159325961516
Energy: 0.018980380302184026
Energy: 0.01920726804667634
Energy: 0.018158097555331362
Energy: 0.01920726804601481
Energy: 0.01920726804601481
Energy: 1.3940159325948287
Energy: 0.01920726804601481
Energy: 1.3940159325948287

minimum gb energy = 0.018158097555331362 eV
minimum distance =  2.43123961009759 Angstroms
sigma value = 1


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

Energy: 1.5765087064310843
Energy: 1.6652776615543556
Energy: 1.4216892701323305
Energy: 1.6652776615535532
Energy: 1.4835444912617406
Energy: 1.5841489889863
Energy: 1.4943310185904621
Energy: 1.5841489889879048
Energy: 1.4308973153653892
Energy: 1.6468109004923916
Energy: 1.4638848592726497
Energy: 1.6468109004899847
Energy: 1.4708587408728602
Energy: 1.5480243622597814
Energy: 1.4358539542382218
Energy: 1.5480243622621883
Energy: 1.4505866498139162
Energy: 1.6681938443512425
Energy: 1.4501277925277885
Energy: 1.668193844352847
Energy: 1.4070752482080915
Energy: 1.5912381871235703
Energy: 1.3838157188934248
Energy: 1.591238187125175
Energy: 1.487934572561679
Energy: 1.6431564341289602
Energy: 1.4086829356483075
Energy: 1.6431564341297626
Energy: 1.3226063576495286
Energy: 1.672352850088503
Energy: 1.3754029508374144
Energy: 1.6723528500877005
Energy: 1.437252641907372
Energy: 1.4693706071508315
Energy: 1.4902597029620341
Energy: 1.4693706071492267
Energy: 1.3770790557161547
Energy: 1.6456419545204388
Energy: 1.309480458092711
Energy: 1.6456419545204388
Energy: 1.5107645535883014
Energy: 1.5846175248044834
Energy: 1.4373532882141749
Energy: 1.5846175248020766
Energy: 1.440296431740071
Energy: 1.672414184740437
Energy: 1.399574768421545
Energy: 1.6724141847388325
Energy: 1.4920379628037717
Energy: 1.642254465729346
Energy: 1.4887394739905382
Energy: 1.6422544657285436
Energy: 1.4638973049174344
Energy: 1.583894477551303
Energy: 1.4206566467011854
Energy: 1.5838944775505006
Energy: 1.4730559885629604
Energy: 1.6679095325589153
Energy: 1.4829225726832602
Energy: 1.6679095325589153
Energy: 1.4606297387049376
Energy: 1.6671261093268996
Energy: 1.4829251502303564
Energy: 1.6671261093277023
Energy: 1.463992269385604
Energy: 1.6467369836093326
Energy: 1.3856564321514038
Energy: 1.6467369836109371
Energy: 1.4941452198010112
Energy: 1.5738577227184751
Energy: 1.5143158622492878
Energy: 1.5738577227184751
Energy: 1.3403910289787306
Energy: 1.6702269103159897
Energy: 1.3981421025812897
Energy: 1.6702269103159897
Energy: 1.5135652309614527
Energy: 1.4680529605187729
Energy: 1.4489176755023583
Energy: 1.4680529605179706
Energy: 1.3788923416448007
Energy: 1.6467890689020719
Energy: 1.3259934947514305
Energy: 1.6467890689036764
Energy: 1.4371125058694592
Energy: 1.4785361913609043
Energy: 1.48462660315167
Energy: 1.4785361913601018
Energy: 1.4479605075762574
Energy: 1.6688137515904544
Energy: 1.3861585553819664
Energy: 1.6688137515896522
Energy: 1.4288072091646262
Energy: 1.647204049204202
Energy: 1.4072258722673896
Energy: 1.647204049204202
Energy: 1.4086936930966216
Energy: 1.5885148726967941
Energy: 1.4883307716077407
Energy: 1.5885148726951897
Energy: 1.4461760506285843
Energy: 1.6731304477655107
Energy: 1.4086131677057327
Energy: 1.6731304477687199
Energy: 1.474990976907352
Energy: 1.5498810733527095
Energy: 1.4399715843149452
Energy: 1.5498810733527095
Energy: 1.399508383346181
Energy: 1.6429352726204454
Energy: 1.5433481860084428
Energy: 1.6429352726220499
Energy: 1.4824211219657009
Energy: 1.541922559522531
Energy: 1.4852206619115762
Energy: 1.5419225595233335
Energy: 1.5751164580715302
Energy: 1.6667407243152546
Energy: 1.4453738013013262
Energy: 1.666740724314452
Energy: 1.4889821037983964
Energy: 1.6121483740262337
Energy: 1.491984472716746
Energy: 1.6121483740262337
Energy: 1.4326386669471913
Energy: 1.643644517013407
Energy: 1.463876190303455
Energy: 1.6436445170126046
Energy: 1.450827624259724
Energy: 1.6113971447400777
Energy: 1.435896873667587
Energy: 1.6113971447408801

minimum gb energy = 1.309480458092711 eV
minimum distance =  2.25978964907993 Angstroms
sigma value = 1


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

Energy: 1.681418941881558
Energy: 1.773249950934381
Energy: 1.477722264359246
Energy: 1.7732499509325517
Energy: 1.52810603033149
Energy: 1.681999372583288
Energy: 1.5560519627071179
Energy: 1.6819993725814584
Energy: 1.469412118737358
Energy: 1.7748811407955765
Energy: 1.5233187726622457
Energy: 1.774881140790088
Energy: 1.4607109237601215
Energy: 1.5068796253867776
Energy: 1.465932860997605
Energy: 1.5068796253831185
Energy: 1.4604074503443605
Energy: 1.7341867593775646
Energy: 1.5184198116385759
Energy: 1.7341867593803089
Energy: 1.5378105255293237
Energy: 1.7326324650048788
Energy: 1.4758759940740318
Energy: 1.7326324650012197
Energy: 1.5231803722788826
Energy: 1.5074027773529397
Energy: 1.5073274405655175
Energy: 1.5074027773501955
Energy: 1.3673248060115801
Energy: 1.7754785256120469
Energy: 1.414013889369587
Energy: 1.775478525619365
Energy: 1.4793606025668788
Energy: 1.561813138587737
Energy: 1.5838438568299302
Energy: 1.5618131385932255
Energy: 1.460285112156363
Energy: 1.7736836838343468
Energy: 1.4781306530617575
Energy: 1.773683683838006
Energy: 1.523640007110192
Energy: 1.5302446068964157
Energy: 1.553478070313584
Energy: 1.5302446069000746
Energy: 1.421019127449833
Energy: 1.7556690317063286
Energy: 1.5228279993979335
Energy: 1.7556690317026695
Energy: 1.5891000963072
Energy: 1.742954044091792
Energy: 1.5197530218763442
Energy: 1.7429540440872184
Energy: 1.5891101374690384
Energy: 1.7433105482532225
Energy: 1.518717636833553
Energy: 1.7433105482541373
Energy: 1.4210225399499479
Energy: 1.7556852243726913
Energy: 1.5239737082833693
Energy: 1.7556852243717767
Energy: 1.523751411848539
Energy: 1.5300797208736687
Energy: 1.5078412955482305
Energy: 1.5300797208736687
Energy: 1.4603402221423782
Energy: 1.7737638336803345
Energy: 1.4285568807042026
Energy: 1.773763833673931
Energy: 1.4788757227995821
Energy: 1.5613903886566802
Energy: 1.5837716174917242
Energy: 1.5613903886484475
Energy: 1.3673205602702683
Energy: 1.7749046031874804
Energy: 1.414615850036634
Energy: 1.7749046031911397
Energy: 1.5234393884027029
Energy: 1.5074217368308183
Energy: 1.4717004820977904
Energy: 1.5074217368299039
Energy: 1.5381215610018146
Energy: 1.7327139178448814
Energy: 1.4609844545087642
Energy: 1.7327139178567312
Energy: 1.4613001446887441
Energy: 1.7342765345689637
Energy: 1.513003628251502
Energy: 1.734276534571708
Energy: 1.4606821226737667
Energy: 1.506882133880767
Energy: 1.5103367508905983
Energy: 1.5068821338825964
Energy: 1.4692611799426383
Energy: 1.774551858805918
Energy: 1.5243061988839366
Energy: 1.774551858805918
Energy: 1.5281103543298862
Energy: 1.6816965776263473
Energy: 1.5559316132107681
Energy: 1.6816965776281767
Energy: 1.681418941880643
Energy: 1.773249950934381
Energy: 1.5934934236361893
Energy: 1.7732499509325517
Energy: 1.52810603033149
Energy: 1.681999372583288
Energy: 1.5560519627080327
Energy: 1.6819993725805438
Energy: 1.469412118736443
Energy: 1.7748811407946616
Energy: 1.5233187726622457
Energy: 1.774881140790088
Energy: 1.460710923758292
Energy: 1.5068796253867776
Energy: 1.461482802302416
Energy: 1.5068796253831185

minimum gb energy = 1.3673205602702683 eV
minimum distance =  2.26185484956099 Angstroms
sigma value = 25


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

Energy: 1.6982288105402665
Energy: 1.660630404108449
Energy: 1.6487972525951582
Energy: 1.6606304041073854
Energy: 1.6535505917066673
Energy: 1.7093469042246046
Energy: 1.6213497785248558
Energy: 1.7093469042224778
Energy: 1.550044924722833
Energy: 1.9102219695152252
Energy: 1.6210917335067518
Energy: 1.9102219695173517
Energy: 1.5963730829106701
Energy: 1.6294338897654401
Energy: 1.553075917673786
Energy: 1.6294338897675669
Energy: 1.5875308163034063
Energy: 1.8501782548398755
Energy: 1.5686216680666654
Energy: 1.850178254840939
Energy: 1.6528873929647288
Energy: 1.9113798518465517
Energy: 1.6079957585439533
Energy: 1.911379851844425
Energy: 1.6406832481069005
Energy: 1.6087560580609974
Energy: 1.5834481066055897
Energy: 1.6087560580620608
Energy: 1.6435747333372035
Energy: 1.8553302782191397
Energy: 1.502707155279754
Energy: 1.8553302782170131
Energy: 1.5835919884664904
Energy: 1.7604020934256495
Energy: 1.640697383749341
Energy: 1.7604020934288394
Energy: 1.6430948316316365
Energy: 1.9115469630522541
Energy: 1.5844049604294654
Energy: 1.9115469630543809
Energy: 1.6140483492491196
Energy: 1.8468434935822249
Energy: 1.6410508222598907
Energy: 1.8468434935843518
Energy: 1.5797563565876576
Energy: 1.7922350360341452
Energy: 1.5664558799029082
Energy: 1.7922350360373351
Energy: 1.6208244272999515
Energy: 1.6424257832670637
Energy: 1.5382999151393904
Energy: 1.642425783254303
Energy: 1.6475662028675366
Energy: 1.7624733448128556
Energy: 1.6369345043055126
Energy: 1.7624733448128556
Energy: 1.490863808543395
Energy: 1.8540021730773755
Energy: 1.500069616179489
Energy: 1.8540021730795022
Energy: 1.6129122981560136
Energy: 1.6057483698866968
Energy: 1.5847675378827428
Energy: 1.6057483698866968
Energy: 1.467220448733584
Energy: 1.9119275870507662
Energy: 1.466075906943068
Energy: 1.9119275870518295
Energy: 1.5325688430694684
Energy: 1.7573466264236561
Energy: 1.589858197073804
Energy: 1.7573466264247197
Energy: 1.5362429431534619
Energy: 1.705518869450004
Energy: 1.534327091155044
Energy: 1.7055188694510677
Energy: 1.642529411145049
Energy: 1.9134516583015189
Energy: 1.616425230682105
Energy: 1.913451658302582
Energy: 1.5972374765335693
Energy: 1.7043369465375586
Energy: 1.6370096102903688
Energy: 1.7043369465428755
Energy: 1.6958808090310848
Energy: 1.660508434068045
Energy: 1.6652035863187127
Energy: 1.660508438654492
Energy: 1.6520845392865509
Energy: 1.765004708195
Energy: 1.6180983803197988
Energy: 1.7650047081928733
Energy: 1.5481914912852104
Energy: 1.9086456687032272
Energy: 1.6432643409046046
Energy: 1.9086456687064175
Energy: 1.6362287788550494
Energy: 1.6270245407404254
Energy: 1.552981428315932
Energy: 1.6270245407436155

minimum gb energy = 1.466075906943068 eV
minimum distance =  2.26591285183876 Angstroms
sigma value = 9


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

Energy: 1.7062873368381068
Energy: 1.7060416228499218
Energy: 1.6429321353157673
Energy: 1.706041622848653
Energy: 1.6667124952634358
Energy: 1.8218996470274658
Energy: 1.6836748501190624
Energy: 1.8218996470312716
Energy: 1.6432120954386207
Energy: 1.7123229067770689
Energy: 1.6063693056322101
Energy: 1.712322906778337
Energy: 1.7002866070363536
Energy: 1.6686262308285078
Energy: 1.5526555380234737
Energy: 1.6686262308259707
Energy: 1.7773709099711985
Energy: 1.820699266159882
Energy: 1.5968737069369228
Energy: 1.8206992661586134
Energy: 1.4941976847965617
Energy: 1.710851439980391
Energy: 1.6927863109036794
Energy: 1.7108514399816597
Energy: 1.6981723595303926
Energy: 1.5528075151088536
Energy: 1.5538700623948125
Energy: 1.5528075151101217
Energy: 1.643005656914227
Energy: 1.7107822231807883
Energy: 1.5391187760140796
Energy: 1.7107822231807883
Energy: 1.699199220393809
Energy: 1.8216158314348923
Energy: 1.7457852414332737
Energy: 1.821615831436161
Energy: 1.7095107806001477
Energy: 1.707802121732878
Energy: 1.5561134331279138
Energy: 1.707802121732878
Energy: 1.5954244562904636
Energy: 1.8172158890254781
Energy: 1.6026196584978756
Energy: 1.8172158890254781
Energy: 1.6994408791374307
Energy: 1.7576903226318077
Energy: 1.552667502446502
Energy: 1.7576903226343445
Energy: 1.4936931344194255
Energy: 1.7110291992712077
Energy: 1.5785796738494362
Energy: 1.7110291992724762
Energy: 1.6569477082567359
Energy: 1.7096491291236184
Energy: 1.6802494980649572
Energy: 1.7096491291261557
Energy: 1.4936998140102198
Energy: 1.7122554088089998
Energy: 1.6428029609374022
Energy: 1.7122554088089998
Energy: 1.6995934391468432
Energy: 1.7573140401178418
Energy: 1.552719697889508
Energy: 1.7573140401153047
Energy: 1.5955471230034042
Energy: 1.8174187755275468
Energy: 1.6068494451950714
Energy: 1.8174187755275468
Energy: 1.7093042992980043
Energy: 1.7074595398679238
Energy: 1.5550909056434452
Energy: 1.707459539866684
Energy: 1.6994527196277525
Energy: 1.8215626606411568
Energy: 1.6072574109777633
Energy: 1.8215626606411568
Energy: 1.6430609169200021
Energy: 1.7104808180236413
Energy: 1.539145869374475
Energy: 1.7104808180249098
Energy: 1.6981725638765115
Energy: 1.5529040540931138
Energy: 1.553805297719571
Energy: 1.5529040540918457

minimum gb energy = 1.4936931344194255 eV
minimum distance =  2.33948653532288 Angstroms
sigma value = 25


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

Energy: 1.6126447603988492
Energy: 1.7396507045221574
Energy: 1.7361815164556835
Energy: 1.7396507045237264
Energy: 1.579729269499516
Energy: 1.8345084781995733
Energy: 1.5576937257715593
Energy: 1.8345084781980043
Energy: 1.5572310692156996
Energy: 1.7300207260502594
Energy: 1.5573048235146938
Energy: 1.7300207260502594
Energy: 1.6129615313202144
Energy: 1.6771053555840345
Energy: 1.757588889207215
Energy: 1.6771053555840345
Energy: 1.7543376320786646
Energy: 1.5796869234679218
Energy: 1.6239693898410994
Energy: 1.579686923466353
Energy: 1.562893006948711
Energy: 1.844372093723672
Energy: 1.5583514664048634
Energy: 1.8443720937879924
Energy: 1.6195976681801758
Energy: 1.6766692934937528
Energy: 1.5582748674895512
Energy: 1.6766692934937528
Energy: 1.7357830590375851
Energy: 1.8599850612247464
Energy: 1.6112434454765678
Energy: 1.8599850612231774
Energy: 1.5573558356324617
Energy: 1.723158946103931
Energy: 1.5829804931367648
Energy: 1.723158946103931
Energy: 1.8145661760296115
Energy: 1.7284702430284657
Energy: 1.557757353876601
Energy: 1.7284702430284657
Energy: 1.557074320026912
Energy: 1.6765548500052363
Energy: 1.928099534893421
Energy: 1.6765548500805025
Energy: 1.557578379441978
Energy: 1.6332356424393664
Energy: 1.8146045373970878
Energy: 1.6332356424393664
Energy: 1.7361667177653286
Energy: 1.6865244996734219
Energy: 1.5562446582193135
Energy: 1.6865244996749906
Energy: 1.557291375239447
Energy: 1.6755474407332804
Energy: 1.6129807814688406
Energy: 1.6755474406031425
Energy: 1.626685237190569
Energy: 1.967473487130754
Energy: 1.7370067711127113
Energy: 1.967473487130754
Energy: 1.579094949436619
Energy: 1.7523287219953882
Energy: 1.5620989138980135
Energy: 1.7523287219906818
Energy: 1.5579100319507966
Energy: 1.7095966393935058
Energy: 1.8124797002782576
Energy: 1.7095966393935058

minimum gb energy = 1.5562446582193135 eV
minimum distance =  2.32010031599702 Angstroms
sigma value = 17


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

Energy: 1.7799176859725454
Energy: 1.779084996842755
Energy: 1.9744895696818598
Energy: 1.779084996844532
Energy: 1.8292645801588605
Energy: 1.7100467747951857
Energy: 1.5971576712368756
Energy: 1.7100467747951857
Energy: 1.790453547934183
Energy: 1.8050737425863015
Energy: 1.597031756959832
Energy: 1.8050737425854129
Energy: 1.5993235388548666
Energy: 1.9089040170839362
Energy: 1.7182687191033454
Energy: 1.9089040170803826
Energy: 1.8393946381686481
Energy: 1.7454058886568473
Energy: 1.6648982958780505
Energy: 1.7454058886577362
Energy: 1.6222432784412837
Energy: 1.6666466252764827
Energy: 1.7855867067898723
Energy: 1.6666466252747056
Energy: 1.6018257845590078
Energy: 1.792908049398479
Energy: 1.5978714290666531
Energy: 1.7929080494029215
Energy: 1.7851404231037917
Energy: 1.7005776654072413
Energy: 1.6192266936936806
Energy: 1.700577665410755
Energy: 1.6233114458027451
Energy: 1.908891821962037
Energy: 1.824014928626524
Energy: 1.9088918219602602
Energy: 1.9395973846733663
Energy: 1.7420212960159527
Energy: 1.5975969709131013
Energy: 1.7420212960159527
Energy: 1.6036269990472707
Energy: 1.823926195689956
Energy: 1.7929984352284511
Energy: 1.823926195689956
Energy: 1.6200702628094947
Energy: 1.7900717551476102
Energy: 1.6209285796221276
Energy: 1.7900717551484986
Energy: 1.8196917624437003
Energy: 1.7802730803811584
Energy: 1.7860121106662261
Energy: 1.7802730803820468
Energy: 1.596761818436886
Energy: 1.8195585204097042
Energy: 1.8452050357703806
Energy: 1.8195585204097042
Energy: 1.7401924482932325
Energy: 1.7953968128664106
Energy: 1.6215613737539258
Energy: 1.7953968128681872
Energy: 1.7904354339698014
Energy: 1.7940660306575322
Energy: 1.7859067029863362
Energy: 1.7940660306575322
Energy: 1.5980421614958222
Energy: 1.8616535117501272
Energy: 1.9676398711358336
Energy: 1.8616535117510156
Energy: 1.8719151797147109
Energy: 1.7640355719926513
Energy: 1.6219358842443596
Energy: 1.7640355719917624
Energy: 1.64107364385869
Energy: 1.8641187451252852
Energy: 1.706092991249023
Energy: 1.8641187451252852
Energy: 1.5976948511479832
Energy: 1.9061228523749003
Energy: 1.6000479984119715
Energy: 1.9061228523749003
Energy: 1.6904815653930751
Energy: 1.8042471310594541
Energy: 1.7898489557614234
Energy: 1.8042471310603425
Energy: 1.5978874288645584
Energy: 1.8753427568513115
Energy: 1.939932405042049
Energy: 1.8753427568513115
Energy: 1.803309495983445
Energy: 1.8226865061681468
Energy: 1.5962140509511256
Energy: 1.8226865061681468
Energy: 1.620053222770093
Energy: 1.7950885073887426
Energy: 1.817052250165351
Energy: 1.7950885073887426
Energy: 1.619808340629403
Energy: 1.8048864731729193
Energy: 1.8166729669878343
Energy: 1.8048864731729193
Energy: 1.8112078796993005
Energy: 1.7993058072760264
Energy: 1.5983038208007343
Energy: 1.7993058072760264
Energy: 1.598249725288183
Energy: 1.9984547312269942
Energy: 1.9845285372542663
Energy: 1.9984547312269942
Energy: 1.7835591459022915
Energy: 1.6685364157398355
Energy: 1.7923149370148472
Energy: 1.6685364157362814
Energy: 1.9433084544331236
Energy: 1.9087205976248705
Energy: 1.6022829437844002
Energy: 1.9087205976266475
Energy: 1.619320383911459
Energy: 1.8639400258467649
Energy: 1.871053007930924
Energy: 1.8639400258467649

minimum gb energy = 1.5962140509511256 eV
minimum distance =  2.23638046647016 Angstroms
sigma value = 53


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

Energy: 1.7361203302200783
Energy: 1.735223099632892
Energy: 1.956092495469897
Energy: 1.7352230996308464
Energy: 1.8698943669124652
Energy: 1.7834040572747456
Energy: 1.561582239906051
Energy: 1.7834040572747456
Energy: 1.5322167233141835
Energy: 1.5299540953568942
Energy: 1.696742289080531
Energy: 1.5299540953589397
Energy: 1.531841527138455
Energy: 1.5309091826824126
Energy: 1.7183033612098393
Energy: 1.5309091826824126
Energy: 1.9921333837711002
Energy: 1.6692901358753884
Energy: 1.5306656387699598
Energy: 1.669290135873343
Energy: 1.5306139211356773
Energy: 1.5302167255510262
Energy: 1.956092495469897
Energy: 1.530216725548981
Energy: 1.7141049044773569
Energy: 1.7834040572747456
Energy: 1.7184960978708674
Energy: 1.7834040572747456
Energy: 1.5322167233141835
Energy: 1.5299540953568942
Energy: 1.6967422600378517
Energy: 1.5299540953568942
Energy: 1.531841527138455
Energy: 1.5309091826844576
Energy: 1.816549742158788
Energy: 1.5309091826824126
Energy: 1.9921333837711002
Energy: 1.6666172324506205
Energy: 1.5306656387720052
Energy: 1.666617232452666
Energy: 1.736120330218033
Energy: 1.735223099632892
Energy: 1.9560924954719427
Energy: 1.735223099628801
Energy: 1.8698943669124652
Energy: 1.7834040572727001
Energy: 1.8081590526818212
Energy: 1.7834040572747456
Energy: 1.532216723310093
Energy: 1.5299540953568942
Energy: 1.6967425560443978
Energy: 1.5299540953568942

minimum gb energy = 1.5299540953568942 eV
minimum distance =  2.29992221100594 Angstroms
sigma value = 9


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

Energy: 1.6842920036563958
Energy: 2.122788019444594
Energy: 2.15429808680119
Energy: 2.122788019444594
Energy: 1.8971318969937163
Energy: 1.7637287395828694
Energy: 1.6914367225095357
Energy: 1.7637287395805983
Energy: 1.6640611713404938
Energy: 1.6644332529321901
Energy: 1.6894111950252844
Energy: 1.6644332529337045
Energy: 1.8456243677803814
Energy: 1.9790187553871166
Energy: 1.7024008065370926
Energy: 1.9790187553871166
Energy: 1.871232634361906
Energy: 1.7588885000497139
Energy: 1.688540760878283
Energy: 1.7588885000489571
Energy: 1.6640295111679866
Energy: 1.6635529993453337
Energy: 1.8640240583843475
Energy: 1.6635529993430627
Energy: 2.122044499626465
Energy: 1.7511394286409383
Energy: 1.69400499950102
Energy: 1.7511394286432094
Energy: 1.679257187046659
Energy: 1.9679172550836412
Energy: 1.8691167580387722
Energy: 1.967917255082953
Energy: 1.6674618739294325
Energy: 1.9905870377836756
Energy: 1.6831314763855096
Energy: 1.9905870377715629
Energy: 1.6665722554915243
Energy: 1.7553911070948218
Energy: 1.6973703535195286
Energy: 1.755391107097093
Energy: 1.6802751726449887
Energy: 1.7969498032461726
Energy: 2.10103463974349
Energy: 1.7969498032492006
Energy: 1.8965515974836218
Energy: 1.9107674010233722
Energy: 1.6775019497783064
Energy: 1.9107674010233722
Energy: 1.6675992976650917
Energy: 1.796078610037721
Energy: 1.989464751782033
Energy: 1.796078610036207
Energy: 1.8498453318239618
Energy: 2.0382050744707843
Energy: 1.6959405075522176
Energy: 2.0382050744707843
Energy: 1.6866424269093745
Energy: 1.8826115384186712
Energy: 1.8610503779476222
Energy: 1.8826115384141289
Energy: 1.6753518986369789
Energy: 2.004516612275846
Energy: 1.8551214273914407
Energy: 2.004516612272061
Energy: 1.7838933061013116
Energy: 1.8836212936610484
Energy: 1.6863643178373924
Energy: 1.8836212936618055
Energy: 1.688023406737297
Energy: 1.751513479861475
Energy: 1.9303227029243712
Energy: 1.751513479861475
Energy: 1.9434306711749858
Energy: 1.9162865169221575
Energy: 1.6684114095780558
Energy: 1.9162865169191294
Energy: 1.6781991861783945
Energy: 1.7765517110552291
Energy: 1.791878826419816
Energy: 1.7765517110567433
Energy: 1.8599724601759424
Energy: 1.988187191441147
Energy: 1.8510282581328572
Energy: 1.988187191442661
Energy: 1.80448174195682
Energy: 1.8555058706441878
Energy: 1.666215935524564
Energy: 1.855505870642674
Energy: 1.6834746512118601
Energy: 1.9197137189742204
Energy: 1.6674312475965862
Energy: 1.9197137189742204
Energy: 2.129056667842766
Energy: 1.7954227834834193
Energy: 1.6756727622976832
Energy: 1.7954227834872043
Energy: 1.6933351796092513
Energy: 1.9036198187114841
Energy: 2.033288706725694
Energy: 1.9036198187069415
Energy: 1.7726378923396628
Energy: 1.6639657261234286
Energy: 1.665303497956551
Energy: 1.6639657261226717
Energy: 1.7905658942751816
Energy: 1.8881089362550476
Energy: 1.8455882988229815
Energy: 1.8881089362535335
Energy: 1.7135395544934269
Energy: 2.019165102464017
Energy: 1.8440577591378635
Energy: 2.019165102464017
Energy: 1.776478827350284
Energy: 1.6636254079927821
Energy: 1.663748056779138
Energy: 1.663625407990511
Energy: 1.6886207198526084
Energy: 2.059969490379411
Energy: 2.0258138383054236
Energy: 2.0599694903778967
Energy: 2.010547724372167
Energy: 1.7956219027738458
Energy: 1.67456830239879
Energy: 1.7956219027730889
Energy: 1.6930695164608407
Energy: 1.7557957961480022
Energy: 1.6648289365494486
Energy: 1.755795796145731
Energy: 1.6943701422187039
Energy: 1.8572444404722768
Energy: 1.6647066312371297
Energy: 1.8572444404722768
Energy: 1.8482069414185238
Energy: 1.973518169637921
Energy: 1.8465205703081444
Energy: 1.9735181696401922
Energy: 1.6869441880808527
Energy: 1.9281885281282605
Energy: 2.122871465036661
Energy: 1.928188528125232

minimum gb energy = 1.6635529993430627 eV
minimum distance =  2.2516608095138 Angstroms
sigma value = 73


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

Energy: 1.6736300482162267
Energy: 1.6726129851124787
Energy: 2.129637481954757
Energy: 1.6726129851124787
Energy: 1.717893392312152
Energy: 1.830985488127924
Energy: 1.7097214359290505
Energy: 1.830985488127924
Energy: 1.703222527197281
Energy: 1.8672386581211133
Energy: 1.6836061229144654
Energy: 1.8672386581211133
Energy: 1.6746933326221498
Energy: 1.8332442227902164
Energy: 1.706309491958635
Energy: 1.8332442227902164
Energy: 1.6745474804212934
Energy: 1.8029388026589697
Energy: 1.6832190759074754
Energy: 1.8029388026577684
Energy: 1.7045401403247298
Energy: 1.7025929036653247
Energy: 2.0600227237267448
Energy: 1.7025929036641236
Energy: 2.1086232247468004
Energy: 2.0207416442814776
Energy: 1.7079871775391673
Energy: 2.0207416442802764
Energy: 1.675964991939399
Energy: 1.6730293284454774
Energy: 2.066864256577427
Energy: 1.6730293284454774
Energy: 2.043261778164043
Energy: 1.6749428281906926
Energy: 1.6827915476683346
Energy: 1.6749428281894916
Energy: 1.7033407965863878
Energy: 1.8012448272132375
Energy: 1.7005237408555287
Energy: 1.8012448272132375
Energy: 1.6801005732348642
Energy: 1.8669018230916363
Energy: 2.043845754319825
Energy: 1.8669018230916363
Energy: 1.8769444029570408
Energy: 1.8414570298876283
Energy: 1.6791497581452968
Energy: 1.8414570298876283
Energy: 1.7040670027240827
Energy: 1.7971391683664526
Energy: 1.8757478033713375
Energy: 1.7971391683652516
Energy: 2.1469992190772325
Energy: 1.7992574521700064
Energy: 1.7044873077720806
Energy: 1.7992574521712077
Energy: 1.6827349008138845
Energy: 1.764051963558074
Energy: 1.8713774020739007
Energy: 1.7640519635592478
Energy: 2.0432837481175055
Energy: 1.6735912774262023
Energy: 1.6767379401888869
Energy: 1.6735912774262023
Energy: 1.7009206414950895
Energy: 1.6930692899357958
Energy: 1.703433732206121
Energy: 1.6930692899357958
Energy: 1.673457049033062
Energy: 1.6783711895009559
Energy: 1.701175044081299
Energy: 1.6783711894997548
Energy: 1.86810585959776
Energy: 1.6731277991092832
Energy: 1.6727199135258723
Energy: 1.6731277991080824
Energy: 1.7092193218074963
Energy: 1.7633456022017155
Energy: 2.106077496785593
Energy: 1.7633456022017155
Energy: 2.1422974973196194
Energy: 1.6955710001458357
Energy: 1.7010336743190155
Energy: 1.6955710001470372
Energy: 1.7067087022634364
Energy: 1.8086391635683623
Energy: 1.8760340289324782
Energy: 1.8086391635683623

minimum gb energy = 1.6726129851124787 eV
minimum distance =  2.26654087283169 Angstroms
sigma value = 7


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

Energy: 1.712581074176787
Energy: 1.7123946089371256
Energy: 2.1219018306569843
Energy: 1.7123946089371256
Energy: 2.071987249950731
Energy: 1.7473984947014578
Energy: 1.7040629053696643
Energy: 1.7473984946980605
Energy: 1.682378749152554
Energy: 1.7157907069473415
Energy: 1.7388685063979032
Energy: 1.7157907069456428
Energy: 1.7403735249264718
Energy: 1.822504343400911
Energy: 1.7042255736904217
Energy: 1.822504343403459
Energy: 1.6822891344706261
Energy: 1.791866528969014
Energy: 1.7050519364520416
Energy: 1.7918665289630689
Energy: 1.6830271452926937
Energy: 1.7131123165157847
Energy: 2.005090045776235
Energy: 1.713112316509839
Energy: 1.8798760627438824
Energy: 1.934895633001986
Energy: 1.7184092632489882
Energy: 1.934895633002835
Energy: 1.6830015118254895
Energy: 1.7142496290969422
Energy: 2.0619652827240444
Energy: 1.7142496290952434
Energy: 1.8963475042857212
Energy: 1.8016866711072135
Energy: 1.698480220237438
Energy: 1.8016866711063644
Energy: 1.6840319439984262
Energy: 1.8357986945577562
Energy: 1.8591669134964015
Energy: 1.8357986945467148
Energy: 1.7303184992207286
Energy: 1.9561660384547082
Energy: 1.7351822598908015
Energy: 1.9561660384581054
Energy: 1.7397218610055012
Energy: 1.7929614384308896
Energy: 1.733082812499233
Energy: 1.7929614384325885
Energy: 1.7271277846549526
Energy: 1.7179487251609866
Energy: 1.742888859379541
Energy: 1.7179487251575896
Energy: 1.7199324181981333
Energy: 1.7009677928424152
Energy: 1.7351136357073753
Energy: 1.700967792844963
Energy: 1.677542773975822
Energy: 1.9671342711634978
Energy: 1.8815471588429509
Energy: 1.9671342711643471
Energy: 2.1526552453492314
Energy: 1.7005602491321032
Energy: 1.6992958968713858
Energy: 1.7005602491295555
Energy: 1.6869733062860988
Energy: 1.7941725367542678
Energy: 1.7756372931205153
Energy: 1.7941725367508703
Energy: 1.705038191777275
Energy: 1.950801059579621
Energy: 1.7338036497170861
Energy: 1.950801059582169
Energy: 1.6876450055180905
Energy: 1.8535146990801348
Energy: 1.7323692297992455
Energy: 1.8535146990784361
Energy: 1.6792454565237493
Energy: 1.7956821625283275
Energy: 1.7329096535054926
Energy: 1.7956821625368204
Energy: 1.7377202504052718
Energy: 1.9602392733306284
Energy: 1.698626960479003
Energy: 1.9602392733306284
Energy: 1.6831444574899785
Energy: 1.9579528762574812
Energy: 1.8574476011168424
Energy: 1.9579528762557825
Energy: 2.039266990983698
Energy: 1.8029398534535972
Energy: 1.724644812990298
Energy: 1.8029398534493504
Energy: 1.7173366891460837
Energy: 1.7136503007116268
Energy: 2.003300494222722
Energy: 1.7136503007158734
Energy: 1.7436153076845724
Energy: 1.7973194207995422
Energy: 1.7285472032359412
Energy: 1.797319420794446
Energy: 1.7305493022690732
Energy: 1.9544591921733925
Energy: 1.730652267786832
Energy: 1.9544591921810366
Energy: 1.681856835624614
Energy: 1.8292395464395979
Energy: 1.8659998976391408
Energy: 1.8292395464404472
Energy: 1.7400773072947393
Energy: 1.793751794578953
Energy: 1.7040765482342004
Energy: 1.7937517945798023
Energy: 1.6814319360855894
Energy: 1.7129494119222495
Energy: 1.9096454578728104
Energy: 1.7129494119247972
Energy: 1.715700420730311
Energy: 1.7397833539543506
Energy: 1.7149214222134044
Energy: 1.7397833539467065
Energy: 1.681195483423383
Energy: 1.713025410662402
Energy: 1.9686563763661342
Energy: 1.7130254106581555

minimum gb energy = 1.677542773975822 eV
minimum distance =  2.25217359126817 Angstroms
sigma value = 29


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

Energy: 1.646751965582335
Energy: 1.6313863184962638
Energy: 1.7711324888017093
Energy: 1.6313863184951134
Energy: 1.5912255231103536
Energy: 1.6513538349275234
Energy: 1.6515914951011992
Energy: 1.6513538349281147
Energy: 1.5934033679096304
Energy: 1.7334157899628315
Energy: 1.7708522760386904
Energy: 1.7334157899619769
Energy: 1.6495968540112056
Energy: 1.5909117507268102
Energy: 1.6527229241610626
Energy: 1.5909117507259556
Energy: 1.647002114595401
Energy: 1.7011438625217283
Energy: 1.7707741680626339
Energy: 1.7011438625211697
Energy: 1.6454186458073017
Energy: 1.7320588044914753
Energy: 1.6457292185754966
Energy: 1.7320588044917713
Energy: 1.5938290753432673
Energy: 1.7012445762416057
Energy: 1.6469293251281054
Energy: 1.701244576241343
Energy: 1.6523735817793423
Energy: 1.5903916010336872
Energy: 1.650517894357302
Energy: 1.590391601028198
Energy: 1.7707452249768774
Energy: 1.7335701846770528
Energy: 1.6538731962299198
Energy: 1.7335701846776117

minimum gb energy = 1.590391601028198 eV
minimum distance =  2.30652149466735 Angstroms
sigma value = 5


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

Energy: 1.582809628743235
Energy: 1.6096388073358234
Energy: 1.8334584217579684
Energy: 1.6096388073358234
Energy: 1.5902839178493986
Energy: 1.6402005749189104
Energy: 1.5627294325333738
Energy: 1.6402005749197126
Energy: 1.5369405735496717
Energy: 1.5972466006026116
Energy: 1.8434816229298516
Energy: 1.5972466006010069
Energy: 1.5684881345781523
Energy: 1.6716780208498832
Energy: 1.5600708481368888
Energy: 1.67167802085229
Energy: 1.5548629470097741
Energy: 1.683857996789204
Energy: 1.8291249624199444
Energy: 1.6838579967867973
Energy: 1.6483289492074062
Energy: 1.6123591809615052
Energy: 1.5428989087727736
Energy: 1.61235918096311
Energy: 1.5384242133219006
Energy: 1.679925803044316
Energy: 1.5273126109892114
Energy: 1.679925803044316
Energy: 1.5342500003607467
Energy: 1.6138707883097034
Energy: 1.539721947426011
Energy: 1.6138707883105057
Energy: 1.553046087757012
Energy: 1.6800649458777188
Energy: 1.5571295611457865
Energy: 1.6800649458777188
Energy: 1.547157732352812
Energy: 1.6802880756375838
Energy: 1.5289241233856565
Energy: 1.680288075635979
Energy: 1.6163292727158087
Energy: 1.7676411223831432
Energy: 1.539269184959247
Energy: 1.7676411223839454
Energy: 1.553270759593965
Energy: 1.7007530698402689
Energy: 1.6086278752051364
Energy: 1.700753069837862
Energy: 1.6522646341984573
Energy: 1.6113787507344617
Energy: 1.5975598980068382
Energy: 1.6113787507360662
Energy: 1.5679042143468214
Energy: 1.6102301454724153
Energy: 1.599905667948436
Energy: 1.6102301454724153
Energy: 1.578147354480359
Energy: 1.6748159339356226
Energy: 1.5391537926974315
Energy: 1.6748159339356226
Energy: 1.550445448450496
Energy: 1.5981149256621336
Energy: 1.6337477064079027
Energy: 1.598114925660529
Energy: 1.8302801262344361
Energy: 1.7042892988846057
Energy: 1.5628345001405481
Energy: 1.704289298885408
Energy: 1.5523409438826201
Energy: 1.6116259789108174
Energy: 1.7626454478155733
Energy: 1.6116259789124217
Energy: 1.5354322915021097
Energy: 1.6825289376731558
Energy: 1.5410734003369204
Energy: 1.682528937673958
Energy: 1.5402257734963882
Energy: 1.828163788658679
Energy: 1.5688387885897137
Energy: 1.8281637886570743
Energy: 1.5429764543089337
Energy: 1.6118859302816466
Energy: 1.5548607468259865
Energy: 1.6118859302808444
Energy: 1.574830346978179
Energy: 1.6810173483034259
Energy: 1.5426213387434307
Energy: 1.6810173483042283
Energy: 1.5428294232849498
Energy: 1.6130806591039613
Energy: 1.5598949216526332
Energy: 1.6130806591023565
Energy: 1.610150185851084
Energy: 1.614764824276102
Energy: 1.5585629206990033
Energy: 1.6147648242793111
Energy: 1.6259757428475758
Energy: 1.593842074742577
Energy: 1.5416299560506528
Energy: 1.5938420747441817
Energy: 1.5899095200243858
Energy: 1.6111385745594742
Energy: 1.5542826564823997
Energy: 1.6111385745618811
Energy: 1.543188043754455
Energy: 1.6600511212958016
Energy: 1.5688895134319627
Energy: 1.6600511212966038
Energy: 1.6723106229712996
Energy: 1.6523072622184816
Energy: 1.5505948739731719
Energy: 1.6523072622232955
Energy: 1.5497709650064884
Energy: 1.64069823948604
Energy: 1.83619138506857
Energy: 1.6406982394836334
Energy: 1.7656297544613813
Energy: 1.7680253617810802
Energy: 1.5542086537025548
Energy: 1.768025361780278
Energy: 1.537489908971923
Energy: 1.569553421279551
Energy: 1.770329253023943
Energy: 1.569553421279551
Energy: 1.819070259448143
Energy: 1.6500093957374646
Energy: 1.5374611958763569
Energy: 1.6500093957318485
Energy: 1.5544229527509013
Energy: 1.6524994115569278
Energy: 1.5583129198417995
Energy: 1.6524994115553233

minimum gb energy = 1.5273126109892114 eV
minimum distance =  2.24725863582985 Angstroms
sigma value = 1


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

Energy: 1.5366423365797441
Energy: 1.5378534304897908
Energy: 1.612872173639838
Energy: 1.5378534304897908
Energy: 1.5299558917613323
Energy: 1.7655760033606376
Energy: 1.496172497569713
Energy: 1.7655760033550911
Energy: 1.454449499486361
Energy: 1.5362550987985302
Energy: 2.0222001562131764
Energy: 1.5362550987940928
Energy: 1.5532279115456327
Energy: 1.6351009761543436
Energy: 1.476973901133
Energy: 1.635100976158781
Energy: 1.4542161553134305
Energy: 1.684263859481398
Energy: 1.8327212658065941
Energy: 1.6842638594825075
Energy: 1.4553148924030759
Energy: 1.762777315233934
Energy: 1.4763910560486175
Energy: 1.7627773152350432
Energy: 1.4539946310921787
Energy: 1.6842539651565802
Energy: 1.4890726572326551
Energy: 1.6842539651565802
Energy: 1.4538358205647481
Energy: 1.541628018643542
Energy: 1.5027842402126559
Energy: 1.5416280186391051
Energy: 1.5358279135581943
Energy: 1.5336062323533977
Energy: 1.535029743227668
Energy: 1.533606232358894
Energy: 1.5356122293164522
Energy: 1.53311544481602
Energy: 1.542686984731096
Energy: 1.5331154448226758
Energy: 1.454753904864169
Energy: 1.5416604403768714
Energy: 1.5035350156457368
Energy: 1.5416604403790901
Energy: 1.4543137412339646
Energy: 1.6847345833559573
Energy: 1.5213243306477997
Energy: 1.6847345833559573
Energy: 1.455637565569498
Energy: 1.762724649252898
Energy: 1.4768485950788277
Energy: 1.762724649271756
Energy: 1.4541562625090743
Energy: 1.6841955105626463
Energy: 1.7256787489065404
Energy: 1.684195510564865
Energy: 1.553385603997679
Energy: 1.6349441374866946
Energy: 1.47732914217144
Energy: 1.6349441374866946
Energy: 1.454160676345384
Energy: 1.536554812257663
Energy: 1.6124595633349876
Energy: 1.536554812259882
Energy: 1.530175809878679
Energy: 1.544834271350988
Energy: 1.4961957038614864
Energy: 1.5448342713520973
Energy: 1.5366423365797441
Energy: 1.5378534304886815
Energy: 1.6279383277667199
Energy: 1.5378534304897908
Energy: 1.5299558917602227
Energy: 1.7655760033550911
Energy: 1.4961724975708222
Energy: 1.7655760033484356
Energy: 1.454449499486361
Energy: 1.5362550987974208
Energy: 2.0222001562131764
Energy: 1.5362550987929835
Energy: 1.553227911544523
Energy: 1.6351009761543436
Energy: 1.476973901133
Energy: 1.635100976158781
Energy: 1.4542161553123212
Energy: 1.684263859481398
Energy: 1.832721265793333
Energy: 1.6842638594825075
Energy: 1.4553148924019665
Energy: 1.762777315233934
Energy: 1.4763910560486175
Energy: 1.7627773152350432
Energy: 1.45399463108996
Energy: 1.6842539651565802
Energy: 1.4890726572315456
Energy: 1.6842539651576893

minimum gb energy = 1.4538358205647481 eV
minimum distance =  2.26752908787967 Angstroms
sigma value = 17


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

Energy: 1.5167575263852322
Energy: 1.5171659666203838
Energy: 1.8259029259011086
Energy: 1.517165966619698
Energy: 1.725013628562371
Energy: 1.497100728233099
Energy: 1.4683918574182524
Energy: 1.4971007282310422
Energy: 1.4627456736985553
Energy: 1.4967054229913432
Energy: 1.8175462619248655
Energy: 1.4967054229934003
Energy: 1.5704549689571945
Energy: 1.7757109128449948
Energy: 1.4627025220650474
Energy: 1.7757109128408812
Energy: 1.4595760583841273
Energy: 1.610426133465381
Energy: 1.5156245987881503
Energy: 1.610426133467438
Energy: 1.4547554515111998
Energy: 2.023664691203576
Energy: 1.4846245964677356
Energy: 2.0236646912001475
Energy: 1.4846110907056085
Energy: 1.5841811792616778
Energy: 1.4970084685529945
Energy: 1.5841811792616778
Energy: 1.4736959876871591
Energy: 1.8038408677378284
Energy: 1.4555306487975554
Energy: 1.8038408677357713
Energy: 1.5136238485222906
Energy: 1.803333452258591
Energy: 1.5226946436594508
Energy: 1.803333452255163
Energy: 1.5165770010759676
Energy: 1.8036698877822244
Energy: 1.4641314367546316
Energy: 1.803669887780853
Energy: 1.4683927102826295
Energy: 1.7738644735181626
Energy: 1.463271273417648
Energy: 1.773864473517477
Energy: 1.4554684775450923
Energy: 1.5750576022380895
Energy: 1.4632327656538275
Energy: 1.5750576022380895
Energy: 1.470251289047893
Energy: 2.0693120800844786
Energy: 1.4684687540120342
Energy: 2.0693120800844786
Energy: 1.4648948520822276
Energy: 1.608571054873758
Energy: 1.5169797573846349
Energy: 1.6085710548723866
Energy: 1.463519064959008
Energy: 1.7821204205317192
Energy: 1.5290766475261925
Energy: 1.7821204205296621
Energy: 1.4711026190221899
Energy: 1.4981348892344977
Energy: 1.5186089521331319
Energy: 1.4981348892310695
Energy: 1.5040803816149493
Energy: 1.7836190362493918
Energy: 1.4660769896513162
Energy: 1.7836190362487063
Energy: 1.4566047801045838
Energy: 1.6644660977585508
Energy: 1.5051137686754132
Energy: 1.6644660977585508
Energy: 1.7053163480900488
Energy: 1.807545568301394
Energy: 1.4677767297660198
Energy: 1.807545568301394
Energy: 1.477894498884449
Energy: 1.4975914465187974
Energy: 1.58686300961668
Energy: 1.4975914465187974
Energy: 1.4962792823570497
Energy: 1.4846389994403697
Energy: 1.4819452202158019
Energy: 1.4846389994417408
Energy: 1.4821282481317124
Energy: 1.5170501471868139
Energy: 1.5228120067722533
Energy: 1.5170501471874995
Energy: 1.7055815983887177
Energy: 1.7929839125755496
Energy: 1.4803285467403215
Energy: 1.792983912578292
Energy: 1.4679080900166162
Energy: 1.5862412234780476
Energy: 1.7199585372784523
Energy: 1.5862412234753052
Energy: 1.5377528137148675
Energy: 1.663944054149532
Energy: 1.458720175763896
Energy: 1.663944054148161
Energy: 1.4688562184040252
Energy: 1.6128784279406523
Energy: 1.4713274330621369
Energy: 1.6128784279420234
Energy: 1.6986992099137899
Energy: 1.5568664046536989
Energy: 1.4735993718809322
Energy: 1.5568664046564413
Energy: 1.5355320361791407
Energy: 1.7819416030762438
Energy: 1.4592706433623015
Energy: 1.7819416030769295
Energy: 1.5159874986319557
Energy: 1.608122074695818
Energy: 1.4712203053933206
Energy: 1.6081220746944467
Energy: 1.468680937737587
Energy: 2.069136524597281
Energy: 1.5095197556791897
Energy: 2.069136524595224
Energy: 1.4581101459644843
Energy: 1.6084495453378063
Energy: 1.4687004048422765
Energy: 1.6084495453412344
Energy: 1.4590499734524875
Energy: 1.7742603323573696
Energy: 1.4743240047512274
Energy: 1.774260332354627
Energy: 1.4740223679600657
Energy: 1.4909704499089107
Energy: 1.7324373264954442
Energy: 1.4909704499075391
Energy: 1.532703796748507
Energy: 1.808124412883786
Energy: 1.496866679928403
Energy: 1.808124412883786
Energy: 1.454706695259167
Energy: 1.518155762843403
Energy: 1.5299163719759579
Energy: 1.5181557628420315
Energy: 1.4968366642114683
Energy: 1.586339499972786
Energy: 1.4894676261175015
Energy: 1.5863394999721003
Energy: 1.480730514543586
Energy: 1.797864127522961
Energy: 1.4768503258842405
Energy: 1.7978641275236464
Energy: 1.5127174296034973
Energy: 1.6125441352010506
Energy: 1.4708169951847119
Energy: 1.6125441351996794

minimum gb energy = 1.454706695259167 eV
minimum distance =  2.25140334514564 Angstroms
sigma value = 89


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

Energy: 1.6341640953894871
Energy: 1.634819053361236
Energy: 1.3513740465476836
Energy: 1.634819053361236
Energy: 1.6362503862258178
Energy: 1.3856035287047173
Energy: 1.3749333532464783
Energy: 1.3856035287029231
Energy: 1.3961890180524925
Energy: 1.5980519621661757
Energy: 1.926346608597756
Energy: 1.5980519621679699
Energy: 1.4556254058749336
Energy: 1.4500354141891119
Energy: 1.3945878308107158
Energy: 1.4500354141855236
Energy: 1.3540645629053305
Energy: 1.477011752230837
Energy: 1.4855062984363254
Energy: 1.477011752230837
Energy: 1.3540375065859147
Energy: 1.3392556790988888
Energy: 1.3452691995675694
Energy: 1.3392556790953007
Energy: 1.3782990000123578
Energy: 1.6031123226845274
Energy: 1.3371943453498956
Energy: 1.6031123226845274
Energy: 1.3598380878831147
Energy: 1.5968231606252976
Energy: 1.3954846040082394
Energy: 1.5968231606270915
Energy: 1.394120614260752
Energy: 1.4765303186196395
Energy: 1.355920080795304
Energy: 1.4765303186214336
Energy: 1.450205294135296
Energy: 1.338194096403886
Energy: 1.3541399444582305
Energy: 1.3381940964074739
Energy: 1.6391245326867259
Energy: 1.38887147396101
Energy: 1.3542335139837751
Energy: 1.38887147396101
Energy: 1.6393307493649105
Energy: 1.5980573756378011
Energy: 1.3758155597877344
Energy: 1.5980573756360072
Energy: 1.39417398452273
Energy: 1.34146806880521
Energy: 1.3310097944663903
Energy: 1.34146806880521
Energy: 1.3941421549582034
Energy: 1.4726936938933557
Energy: 1.3939212256444637
Energy: 1.4726936938933557
Energy: 1.3687555525615596
Energy: 1.341591014352128
Energy: 1.3952597067490227
Energy: 1.341591014355675

minimum gb energy = 1.3310097944663903 eV
minimum distance =  2.28099664200831 Angstroms
sigma value = 13


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

Energy: 1.3335920057898103
Energy: 1.7543836990883637
Energy: 1.9007197446619688
Energy: 1.7543836990906194
Energy: 1.3722227504699092
Energy: 1.5424122224252141
Energy: 1.2673514564931156
Energy: 1.542412222433485
Energy: 1.2817796396741243
Energy: 1.7658538791978409
Energy: 1.900641594709674
Energy: 1.7658538792068639
Energy: 1.2760512441799994
Energy: 1.544123552707619
Energy: 1.2633507512873352
Energy: 1.5441235527256651
Energy: 1.2969480564810958
Energy: 1.611750742942073
Energy: 1.3396889172040123
Energy: 1.611750742951096
Energy: 1.262660878323078
Energy: 1.3156908492201786
Energy: 1.2992568148453107
Energy: 1.3156908492337134
Energy: 1.2890925473876538
Energy: 1.6112988486419837
Energy: 1.3766456781948644
Energy: 1.61129884863672
Energy: 1.2539013040836864
Energy: 1.7890678690921233
Energy: 1.299224551206545
Energy: 1.7890678690928754
Energy: 1.2898031811465906
Energy: 1.6103581405347387
Energy: 1.532030986394734
Energy: 1.61035814054301
Energy: 1.5303184824550469
Energy: 1.6376216478096626
Energy: 1.263528830036362
Energy: 1.6376216477901124
Energy: 1.2892876889326037
Energy: 1.4123743586919622
Energy: 1.2623263636578448
Energy: 1.4123743586851947
Energy: 1.7276384341019027
Energy: 1.6374705072717624
Energy: 1.271921248113928
Energy: 1.637470507272514
Energy: 1.3463391057120138
Energy: 1.305958733020748
Energy: 1.2777974898226068
Energy: 1.3059587330214997
Energy: 1.7688231099552563
Energy: 1.4125293452665446
Energy: 1.2716551278254737
Energy: 1.4125293452657925
Energy: 1.2895878168600616
Energy: 1.2799157556997411
Energy: 1.2799944083101176
Energy: 1.2799157556862064
Energy: 1.2736748057725646
Energy: 1.4126931907748776
Energy: 1.260690893288642
Energy: 1.4126931907771336
Energy: 1.2903247070949146
Energy: 1.3719600497830042
Energy: 1.2751634775173892
Energy: 1.3719600497905233
Energy: 1.303714915986614
Energy: 1.378047404045089
Energy: 1.2953993701910318
Energy: 1.3780474040496007
Energy: 1.2897821746281062
Energy: 1.3058286488274435
Energy: 1.2948306423617937
Energy: 1.305828648831955
Energy: 1.2903027778956746
Energy: 1.306149755950454
Energy: 1.294980579959493
Energy: 1.3061497559466944
Energy: 1.3182666272291195
Energy: 1.3781374747064687
Energy: 1.29536864313899
Energy: 1.3781374747184996
Energy: 1.2899453449794525
Energy: 1.3720055281944321
Energy: 1.260299769405368
Energy: 1.37200552819744
Energy: 1.273637168809823
Energy: 1.4124816475498052
Energy: 1.2606733944859605
Energy: 1.4124816475543167
Energy: 1.2898595703627116
Energy: 1.279727609197211
Energy: 1.2692397058076266
Energy: 1.2797276092092416
Energy: 1.768538048992569
Energy: 1.4126499978355733
Energy: 1.27186421757813
Energy: 1.4126499978513638
Energy: 1.3487526232851892
Energy: 1.3060559628585255
Energy: 1.2687197494342795
Energy: 1.3060559628600295
Energy: 1.7279464290695752
Energy: 1.6371876783395725
Energy: 1.2719062576864097
Energy: 1.6371876783305495
Energy: 1.2890564220467993
Energy: 1.4126748428473903
Energy: 1.2619871132144838
Energy: 1.4126748428564133
Energy: 1.529130253703458
Energy: 1.6379935701747728
Energy: 1.2632645630223047
Energy: 1.6379935701792159
Energy: 1.2888885307138516
Energy: 1.6104132410026193
Energy: 1.5186821219276765
Energy: 1.6104132410026193
Energy: 1.252926778344232
Energy: 1.7900923422305939
Energy: 1.2992867096653629
Energy: 1.7900923422388648
Energy: 1.2900005744007939
Energy: 1.6117106266604166
Energy: 1.7587390462575827
Energy: 1.611710626656657
Energy: 1.2621088978083088
Energy: 1.316246488550366
Energy: 1.2992376941657349
Energy: 1.316246488549614
Energy: 1.2898026501134332
Energy: 1.6117036728750682
Energy: 1.7297717803077166
Energy: 1.6117036728743162
Energy: 1.2767222592838416
Energy: 1.5442486403360112
Energy: 1.2631500993031073
Energy: 1.5442486403314999

minimum gb energy = 1.252926778344232 eV
minimum distance =  2.25067442516639 Angstroms
sigma value = 37


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

Energy: 1.2289209310053182
Energy: 1.228323326404591
Energy: 1.1996426591662648
Energy: 1.228323326404591
Energy: 1.3061029622451612
Energy: 1.2282479516294214
Energy: 1.161898571327561
Energy: 1.2282479516294214
Energy: 1.185096524969896
Energy: 1.3995715014945942
Energy: 1.9752723821950116
Energy: 1.3995715014958878
Energy: 1.151252760766103
Energy: 1.5969462088291855
Energy: 1.1620961603630529
Energy: 1.596946208830479
Energy: 1.1599513871085103
Energy: 1.2279929384427868
Energy: 1.1559032209681919
Energy: 1.2279929383794268
Energy: 1.1611456431244898
Energy: 1.2281073470211499
Energy: 1.1547256259892276
Energy: 1.2281073470224435
Energy: 1.2045750608160362
Energy: 2.1233235040553007
Energy: 1.5600321839824238
Energy: 2.1233235040553007
Energy: 1.1599313492613432
Energy: 1.229287424331938
Energy: 1.2325756414523286
Energy: 1.229287424331938
Energy: 1.16025200283948
Energy: 1.2281993534387756
Energy: 1.5534956448442527
Energy: 1.2281993534387756
Energy: 1.5768174001430981
Energy: 1.7344673699523632
Energy: 1.1548607644368778
Energy: 1.7344673699523632
Energy: 1.204723642802846
Energy: 2.111946162168556
Energy: 1.1510890960489488
Energy: 2.111946162168556
Energy: 1.6003239490929495
Energy: 1.2284584762339406
Energy: 1.1620335101674562
Energy: 1.228458476232647
Energy: 1.150567662854496
Energy: 1.2280487617840037
Energy: 1.161495027258273
Energy: 1.2280487617852973
Energy: 1.5599303399725866
Energy: 1.6428062294064372
Energy: 1.1599916182828927
Energy: 1.6428062294077308
Energy: 1.227933534289555
Energy: 1.2991351355884135
Energy: 1.15993911172724
Energy: 1.2991351355897072
Energy: 1.2284426675833493
Energy: 1.2278539119677176
Energy: 1.1625064461402244
Energy: 1.2278539119677176
Energy: 1.1505440059588852
Energy: 1.374532652933929
Energy: 1.1612210088881727
Energy: 1.374532652933929
Energy: 1.1507431628320517
Energy: 2.113752529364919
Energy: 1.1599441866428566
Energy: 2.113752529364919
Energy: 1.1607615049950097
Energy: 1.230015002896842
Energy: 1.1600150734733212
Energy: 1.230015002896842
Energy: 1.1599207782050507
Energy: 1.2278465461454267
Energy: 1.150606403697223
Energy: 1.2278465461415455

minimum gb energy = 1.1505440059588852 eV
minimum distance =  2.29751595226454 Angstroms
sigma value = 25


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

Energy: 1.144842269187446
Energy: 1.0711474572459345
Energy: 1.8053984571565456
Energy: 1.0711474572459345
Energy: 1.4316508040727631
Energy: 1.3808936947436563
Energy: 1.0724377160875798
Energy: 1.380893694741636
Energy: 1.0655805852207463
Energy: 1.065578789193476
Energy: 1.3916653969684534
Energy: 1.065578789192466
Energy: 1.133312056269336
Energy: 1.6671849367602494
Energy: 1.0720454307888883
Energy: 1.6671849367612595
Energy: 1.0739862208855546
Energy: 1.6678718033023534
Energy: 1.025847588676813
Energy: 1.6678718033023534
Energy: 1.0254456849290647
Energy: 1.3797054312293804
Energy: 1.074866812983933
Energy: 1.3797054312293804
Energy: 1.0751635975319311
Energy: 1.3564424521602718
Energy: 1.1359725691613525
Energy: 1.3564424521592617
Energy: 1.0290213021158057
Energy: 1.1447319107830811
Energy: 1.067969313597643
Energy: 1.144731910782071
Energy: 1.074606169305194
Energy: 1.3800184821402766
Energy: 1.430706019268019
Energy: 1.3800184821402766
Energy: 1.0310113479215934
Energy: 1.3549932436445606
Energy: 1.1473638078783612
Energy: 1.3549932436445606
Energy: 1.0752795273107323
Energy: 1.0656832827786975
Energy: 1.6558251370921464
Energy: 1.065683282780718
Energy: 1.3585444941913933
Energy: 1.7157319227696657
Energy: 1.0679347276520752
Energy: 1.715731922770676
Energy: 1.0738324844357732
Energy: 1.1023959298172903
Energy: 1.3419122421674718
Energy: 1.1023959298263817
Energy: 1.3697569150540596
Energy: 1.354786571451511
Energy: 1.0718134846301557
Energy: 1.354786571451511
Energy: 1.0753129674536777
Energy: 1.0656832710931283
Energy: 1.0252488070885877
Energy: 1.0656832710951485
Energy: 1.3665195978249862
Energy: 1.528255252446967
Energy: 1.0722787277005679
Energy: 1.528255252446967
Energy: 1.0734617419968207
Energy: 1.1442864090461575
Energy: 1.0292478874383029
Energy: 1.144286409048178
Energy: 1.3814752754154043
Energy: 1.3798854366760556
Energy: 1.0755452429277519
Energy: 1.3798854366750455
Energy: 1.153219613170707
Energy: 1.3550133201356473
Energy: 1.0313359022324318
Energy: 1.3550133201356473
Energy: 1.6540413925824518
Energy: 1.5285248582080198
Energy: 1.072994877174941
Energy: 1.5285248582100401
Energy: 1.073738787111608
Energy: 1.41551494801104
Energy: 1.029747535027588
Energy: 1.4155149480130604
Energy: 1.0653097559868998
Energy: 1.1020090312866757
Energy: 1.0720078044631642
Energy: 1.1020090312816249
Energy: 1.0749742779274334
Energy: 1.3561535846182848
Energy: 1.3703728080657294
Energy: 1.3561535846192951
Energy: 1.0254061557994905
Energy: 1.2616735008183233
Energy: 1.0719736654357963
Energy: 1.2616735008173132
Energy: 1.072274683514681
Energy: 1.525294534898796
Energy: 1.3658397232186557
Energy: 1.525294534897786
Energy: 1.0302251303882468
Energy: 1.144672930750776
Energy: 1.0651236175709329
Energy: 1.1446729307517862

minimum gb energy = 1.0252488070885877 eV
minimum distance =  2.29571597999348 Angstroms
sigma value = 41


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

Energy: 1.4589623212665348
Energy: 1.4600212135971238
Energy: 1.7182763868285675
Energy: 1.4600212135962958
Energy: 1.5037974410818566
Energy: 1.2087520145320507
Energy: 0.9597606575452362
Energy: 1.2087520145312225
Energy: 0.9997565303608809
Energy: 1.4352198128837792
Energy: 1.6778008697944775
Energy: 1.4352198128771538
Energy: 1.263772456078249
Energy: 1.4466445035869897
Energy: 0.9596790455914032
Energy: 1.446644503592787
Energy: 0.9535182321125567
Energy: 1.4830299625542258
Energy: 0.9310255664301711
Energy: 1.4830299625542258
Energy: 1.014044643552267
Energy: 1.210231042174468
Energy: 0.9596813205617531
Energy: 1.2102310421719835
Energy: 0.9583738091039135
Energy: 1.447894010963774
Energy: 1.0132668668978173
Energy: 1.4478940109654304
Energy: 0.9299936992820247
Energy: 1.23019568561056
Energy: 0.9548627001995001
Energy: 1.2301956856089036
Energy: 0.9629609375489775
Energy: 1.2284199126638053
Energy: 1.2577351009565823
Energy: 1.2284199126613207
Energy: 0.9340488938348651
Energy: 1.1934219151655525
Energy: 1.0009620202375278
Energy: 1.1934219151663807
Energy: 0.9586480717450536
Energy: 1.2090310548842471
Energy: 1.6573343911321552
Energy: 1.2090310548817627
Energy: 0.9350872393003269
Energy: 1.2284781872501103
Energy: 1.4598300091533725
Energy: 1.2284781872509383
Energy: 0.9632187136267025
Energy: 1.6273386085761683
Energy: 1.6572077979579862
Energy: 1.6273386085778248
Energy: 1.2019698587609844
Energy: 1.4185581511933762
Energy: 1.0011848046306668
Energy: 1.4185581511942045
Energy: 0.9585870017904251
Energy: 0.9751315005226999
Energy: 1.4372516325577454
Energy: 0.9751315005260126
Energy: 1.2183739823552286
Energy: 1.4797597103948437
Energy: 0.9547857794902629
Energy: 1.4797597103931872
Energy: 0.9630750633853159
Energy: 1.6280521344890175
Energy: 1.1911764040361763
Energy: 1.6280521344898458
Energy: 1.2112426817923427
Energy: 1.3957764349622594
Energy: 0.9596993871643578
Energy: 1.3957764349639161
Energy: 0.9585202360539434
Energy: 0.9998854539016299
Energy: 0.930066129629016
Energy: 0.9998854539032863
Energy: 1.2266253262093887
Energy: 1.2279904214124433
Energy: 0.9664238015954482
Energy: 1.2279904214124433
Energy: 1.004566420998867
Energy: 1.3957860029173417
Energy: 0.933198576555865
Energy: 1.3957860029189981
Energy: 1.6608973075495062
Energy: 1.7824563083306628
Energy: 0.9596924623748045
Energy: 1.7824563083298348
Energy: 1.4631329275414051
Energy: 1.22974256303204
Energy: 0.9336560297621582
Energy: 1.2297425630287273
Energy: 1.460760504611097
Energy: 1.6271991934301802
Energy: 0.9629688827523384
Energy: 1.6271991934285237
Energy: 1.0045242681392113
Energy: 1.0983869249394715
Energy: 0.9335686778680917
Energy: 1.0983869249394715
Energy: 1.4500273175196783
Energy: 1.7796792498458267
Energy: 0.9597871667808607
Energy: 1.7796792498458267
Energy: 0.9584533879197651
Energy: 1.2282024594813723
Energy: 1.2180637120685072
Energy: 1.2282024594797163
Energy: 0.9537791159750868
Energy: 1.3975443099959775
Energy: 0.9663870446292399
Energy: 1.3975443099959775
Energy: 0.9633085529894198
Energy: 1.098500078032385
Energy: 1.2116795161987128
Energy: 1.098500078032385
Energy: 0.9304329721877788
Energy: 1.6784002823532131
Energy: 0.9644003103199831
Energy: 1.6784002823507287
Energy: 0.9673195482109557
Energy: 1.2285176948498497
Energy: 1.2263950342629977
Energy: 1.2285176948515062
Energy: 0.9339290780021752
Energy: 1.3952706598477225
Energy: 1.010193642903174
Energy: 1.3952706598444098

minimum gb energy = 0.9299936992820247 eV
minimum distance =  2.2682258551008 Angstroms
sigma value = 15


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

Energy: 1.324127363402852
Energy: 0.9064900699023042
Energy: 1.640572226762387
Energy: 0.9064900699016664
Energy: 1.6770556626845474
Energy: 1.0981683634755484
Energy: 0.9029177177681641
Energy: 1.0981683634797579
Energy: 0.9415017291479679
Energy: 1.2981907667673216
Energy: 1.582213757899421
Energy: 1.2981907664166576
Energy: 1.4727850678973546
Energy: 1.101519826336056
Energy: 0.9029971257788412
Energy: 1.101519826336056
Energy: 0.8989795629302776
Energy: 0.9078672243781599
Energy: 0.8672757123128949
Energy: 0.9078672278796341
Energy: 1.2936897742936682
Energy: 1.0968482912485462
Energy: 0.9032540501570558
Energy: 1.0968482911482837
Energy: 0.9024867013511
Energy: 1.314745749416403
Energy: 0.9220080641612394
Energy: 1.3147457494185075
Energy: 1.079889062072462
Energy: 1.1120026301589996
Energy: 0.9029884867906098
Energy: 1.1120026301611043
Energy: 0.9051062719428105
Energy: 0.9221984420523555
Energy: 1.1313954324988744
Energy: 0.9221984420523555
Energy: 0.8556166588273436
Energy: 0.9013572144322964
Energy: 0.8997819250703277
Energy: 0.9013572144280869
Energy: 0.9025803744609373
Energy: 1.0970633003756212
Energy: 1.536393194731185
Energy: 1.0970633003791292
Energy: 0.8583759787800886
Energy: 1.0976507645135103
Energy: 0.9422125473450279
Energy: 1.0976507645100022
Energy: 0.9053968634279702
Energy: 0.9227357475599994
Energy: 1.6625115333110738
Energy: 0.9227357475585963
Energy: 0.8590923221119479
Energy: 0.9064285296319521
Energy: 1.3244376284647554
Energy: 0.9064285296277427
Energy: 0.9027593407968846
Energy: 1.0970973002107662
Energy: 1.670818222588817
Energy: 1.0970973002037503
Energy: 1.0851433695145747
Energy: 1.0992345769097995
Energy: 0.94218111802213
Energy: 1.0992345769083962
Energy: 0.9054198598300004
Energy: 0.9220645742194873
Energy: 1.4960871429081224
Energy: 0.9220645742145762
Energy: 1.1023852194135189
Energy: 1.28050897969406
Energy: 0.8998238580516871
Energy: 1.2805089796919553
Energy: 0.9022456977500115
Energy: 1.0967843419140852
Energy: 1.2800359394272163
Energy: 1.0967843419070695
Energy: 1.0964729917138054
Energy: 1.0981324353163573
Energy: 0.902950908118317
Energy: 1.0981324353142525
Energy: 0.9052403599735662
Energy: 1.1326776865414292
Energy: 1.0801305258312663
Energy: 1.1326776865407275
Energy: 1.1039095977471203
Energy: 0.924494750230798
Energy: 0.9089086453188895
Energy: 0.9244947502490392
Energy: 0.9021833763147755
Energy: 0.9001153240991673
Energy: 0.8554755017138835
Energy: 0.9001153240866027
Energy: 1.530279711598312
Energy: 1.0975317344740172
Energy: 0.903038804216817
Energy: 1.0975317344705091
Energy: 0.945007178691205
Energy: 1.1336056806101014
Energy: 0.8593071536216876
Energy: 1.1336056806185204
Energy: 1.4966196457777405
Energy: 0.9207503548091875
Energy: 0.908656785681452
Energy: 0.9207503548148002
Energy: 1.326926821544861
Energy: 0.9008443428839575
Energy: 0.8594124973151717
Energy: 0.9008443428804497
Energy: 1.6647589717638192
Energy: 1.0960828081192098
Energy: 0.9030648171111528
Energy: 1.0960828081248226
Energy: 0.9446281196643169
Energy: 1.311965287661715
Energy: 0.8607997855526222
Energy: 1.311965287658207
Energy: 1.2951482742177494
Energy: 0.9209745919548189
Energy: 0.9089569541584
Energy: 0.9209745919555204
Energy: 0.9022672860138092
Energy: 1.2785617435062553
Energy: 1.102763925175527
Energy: 1.2785617435041507
Energy: 1.3184231047190054
Energy: 0.9020409418579663
Energy: 0.903098769095006
Energy: 0.9020409418544584
Energy: 0.9051898397382115
Energy: 1.3150438452663933
Energy: 1.0962846313935417
Energy: 1.3150438452656916
Energy: 0.8712389588942273
Energy: 1.1326807060786062
Energy: 0.9089097062280261
Energy: 1.1326807060744601
Energy: 0.8918635372711265
Energy: 0.9806172785717328
Energy: 1.1040504559028972
Energy: 0.9806172785689264
Energy: 0.8552511264295785
Energy: 0.8993861387364537
Energy: 0.905825512635658
Energy: 0.899386138734349
Energy: 0.9052551437669106
Energy: 1.3140639716327043
Energy: 1.5380962327986634
Energy: 1.314063971634809

minimum gb energy = 0.8552511264295785 eV
minimum distance =  2.28197422395221 Angstroms
sigma value = 85


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

Energy: 1.3552867675161822
Energy: 0.9203642009998294
Energy: 1.0899059646999687
Energy: 0.9203642009663627
Energy: 1.62177988354843
Energy: 1.0553871596342337
Energy: 0.8369280520020718
Energy: 1.0553871596330167
Energy: 1.2970064405375983
Energy: 1.143678947270183
Energy: 0.9691054420240383
Energy: 1.1436789472726165
Energy: 1.5607659616498375
Energy: 1.0465038854374729
Energy: 0.836951908142485
Energy: 1.0465038854386899
Energy: 0.9826760857163076
Energy: 1.0927810918951588
Energy: 0.8666595274834386
Energy: 1.092781091898201
Energy: 1.4029307342799409
Energy: 1.1421772580319938
Energy: 0.8367541138300612
Energy: 1.1421772580301683
Energy: 0.9251246147737765
Energy: 1.2300514231210529
Energy: 0.9695524753783815
Energy: 1.2300514231253123
Energy: 1.2386384794761576
Energy: 0.9676358718526857
Energy: 0.8507533375790364
Energy: 0.9676358718904118
Energy: 0.8499347419378195
Energy: 1.180804515862908
Energy: 1.1488608118212147
Energy: 1.180804515862908
Energy: 1.0564495972282566
Energy: 1.2171417977966132
Energy: 0.9258628132856408
Energy: 1.2171417978008723
Energy: 0.8377845824887916
Energy: 1.044559279480024
Energy: 1.3174411807736468
Energy: 1.0445592794842833
Energy: 0.8625441482017854
Energy: 0.9019032532880018
Energy: 0.9834246243298005
Energy: 0.9019032532873934
Energy: 0.8362172363255531
Energy: 1.1793174377155244
Energy: 1.591677729012604
Energy: 1.1793174377143076
Energy: 0.7736649156405406
Energy: 1.1443408966238102
Energy: 1.2974969326511587
Energy: 1.1443408966262443
Energy: 0.8371123729759915
Energy: 1.046111350091196
Energy: 1.7134993710166002
Energy: 1.0461113500918047
Energy: 0.7714466377004405
Energy: 0.899918160610992
Energy: 1.2606079722032961
Energy: 0.8999181606079494
Energy: 0.8364349727227742
Energy: 1.1804417990200395
Energy: 1.6395128768635754
Energy: 1.1804417990230824
Energy: 0.9694185656689911
Energy: 1.1441064954043472
Energy: 1.2975606313405033
Energy: 1.1441064954055642
Energy: 0.8371166536467082
Energy: 1.0449547263003258
Energy: 1.5608967947650014
Energy: 1.0449547262985004
Energy: 0.988378196714763
Energy: 0.8985480966170492
Energy: 0.9834603891356463
Energy: 0.8985480966298274
Energy: 0.8376048630733093
Energy: 1.1139985805628583
Energy: 1.4030574984552948
Energy: 1.1139985805634667
Energy: 1.0732689282477785
Energy: 1.2167563559355323
Energy: 0.9260758875919006
Energy: 1.2167563559355323
Energy: 0.8524031078581015
Energy: 0.9675062032305819
Energy: 1.2324525572251295
Energy: 0.9675062032324073
Energy: 1.0906238993208353
Energy: 0.9298654067960691
Energy: 0.8509179012114004
Energy: 0.929865406797286
Energy: 0.9284730118071972
Energy: 1.1246674069039837
Energy: 1.056475957643319
Energy: 1.1246674069033753
Energy: 1.4342012466374687
Energy: 1.044420711524547
Energy: 0.8379597598686909
Energy: 1.0444207115251554
Energy: 0.9859009927326358
Energy: 0.8903420669949907
Energy: 0.8620780822464026
Energy: 0.8903420669767361
Energy: 1.4604603359981214
Energy: 1.077766874960408
Energy: 0.8370267235214625
Energy: 1.0777668749585825
Energy: 1.299019407114796
Energy: 0.9922343179502118
Energy: 0.7715978587251495
Energy: 0.9922343177713728
Energy: 1.7162653821003402
Energy: 1.0461811944154897
Energy: 0.8377096924928686
Energy: 1.0461811944167068
Energy: 1.3571201062889544
Energy: 0.9094231355491127
Energy: 0.772311677807864
Energy: 0.9094231355442447
Energy: 1.6038598196352691
Energy: 1.006265045810554
Energy: 0.8369779221977852
Energy: 1.006265045811771
Energy: 1.2991585946891113
Energy: 0.9875273914884631
Energy: 0.7709506600937547
Energy: 0.9875273914750764
Energy: 1.5627522893508528
Energy: 1.0465546400082788
Energy: 0.8372560820550187
Energy: 1.0465546400052363
Energy: 0.9859834063950603
Energy: 0.8910468257148052
Energy: 0.9881318184525971
Energy: 0.8910468257087203
Energy: 1.2567028720862163
Energy: 1.0184937215558167
Energy: 0.8399874775244714
Energy: 1.0184937215546
Energy: 0.928393263068258
Energy: 1.217124842313139
Energy: 1.0733203736429286
Energy: 1.2171248423149648
Energy: 1.2309076532994636
Energy: 0.967467782592837
Energy: 0.8488694105686732
Energy: 0.9674677825989219
Energy: 0.8510576893948386
Energy: 0.890381804384269
Energy: 1.089792998595327
Energy: 0.8903818043800096
Energy: 0.885648087502281
Energy: 1.1109647258143094
Energy: 0.9278739208785689
Energy: 1.1109647258185689
Energy: 0.8355973540449243
Energy: 1.044310722825619
Energy: 1.434161242227517
Energy: 1.044310722824402
Energy: 0.8636148159969184
Energy: 0.8898155457772702
Energy: 0.9889188243581298
Energy: 0.88981554575235
Energy: 0.8375592117872036
Energy: 0.8905824878055152
Energy: 1.4605236616940112
Energy: 0.8905824878073407

minimum gb energy = 0.7709506600937547 eV
minimum distance =  2.29898491949722 Angstroms
sigma value = 113


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

Energy: 0.02053517534475047
Energy: 0.02116817080406864
Energy: 1.1736468012133523
Energy: 0.021168170806355524
Energy: 1.1719391706468198
Energy: 0.4601707438218763
Energy: 0.4595031168792168
Energy: 0.46017074381912154
Energy: 0.02053517534475047
Energy: 0.02116817080406864
Energy: 1.173646801212001
Energy: 0.021168170805887752
Energy: 1.1719391706468198
Energy: 0.46017074382140843
Energy: 0.4595031168806201
Energy: 0.4601707438195894
Energy: 0.02053517534475047
Energy: 0.02116817080360087
Energy: 1.1736468012124166
Energy: 0.021168170806355524
Energy: 1.1719391706468198
Energy: 0.46017074382140843
Energy: 0.45950311688519385
Energy: 0.4601707438195894

minimum gb energy = 0.02053517534475047 eV
minimum distance =  2.46571600621122 Angstroms
sigma value = 1