model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.032073378562927
cohesive_energy=3.360270999181857
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.0104183357282214
Energy: 0.010418335733151065
Energy: 0.010418335733655235
Energy: 0.010418335734635567
Energy: 0.010418335733655235
Energy: 0.010418335734159406
Energy: 0.010418335734159406
Energy: 0.010418335733151065
Energy: 0.010418335733655235
Energy: 0.010418335732674906
Energy: 0.010418335732170735
Energy: 0.010418335733151065
Energy: 0.010418335733655235
Energy: 0.010418335732170735
Energy: 0.010418335733151065
Energy: 0.3060692258597382
Energy: 0.010418335735139738
Energy: 0.010418335732170735
Energy: 0.010418335733655235
Energy: 0.010418335731190404
Energy: 0.010418335733655235
Energy: 0.010418335732170735
Energy: 0.010418335732170735
Energy: 0.010418335734159406
Energy: 0.010418335731694574
Energy: 0.010418335734635567
Energy: 0.010418335735139738
Energy: 0.010418335732674906
Energy: 0.010418335734159406
Energy: 0.010418335733151065
   minimum gb energy = 0.0104183357282214 eV
   minimum distance = 2.85100786067242 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.4321309032885515
Energy: 0.39444206514714575
Energy: 0.39444092948795184
Energy: 0.4022151304611744
Energy: 0.3944410307894264
Energy: 0.39444055809413614
Energy: 0.3881332209224733
Energy: 0.44278839933748587
Energy: 0.4427880419165444
Energy: 0.4018141323428482
Energy: 0.3812113136825079
Energy: 0.38121094272529793
Energy: 0.4057201286106372
Energy: 0.39481433040816855
Energy: 0.3948149040817569
Energy: 0.3715916558286577
Energy: 0.4044658900165339
Energy: 0.40446468997263046
Energy: 0.39640094049283786
Energy: 0.39481472270227047
Energy: 0.39481431663720146
Energy: 0.4031533133626711
Energy: 0.42852228922039237
Energy: 0.42852411846256167
Energy: 0.39715857343300065
Energy: 0.45776125940158424
Energy: 0.4577611258864404
Energy: 0.4256059954026554
Energy: 0.41191992312656456
Energy: 0.4119201019822277
   minimum gb energy = 0.3715916558286577 eV
   minimum distance = 2.59190493897307 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.44485369634184185
Energy: 0.41100466485416665
Energy: 0.41100448566024955
Energy: 0.3796556014752365
Energy: 0.41344984025335296
Energy: 0.41345068843699573
Energy: 0.39640203775060284
Energy: 0.4114601575476596
Energy: 0.4114601760643812
Energy: 0.4133156203282434
Energy: 0.41390457378073775
Energy: 0.413904550259521
Energy: 0.38788646899458257
Energy: 0.41100592003102415
Energy: 0.4110065146090573
Energy: 0.43425108603085577
Energy: 0.41390728578480307
Energy: 0.41390629422181124
Energy: 0.3836233063391813
Energy: 0.4114602145699
Energy: 0.4114601513435748
Energy: 0.39141648333253987
Energy: 0.41390540720230756
Energy: 0.4139066042482701
Energy: 0.39389337120360085
Energy: 0.4114601670261421
Energy: 0.4114611206671258
Energy: 0.38660990305033877
Energy: 0.42477493156868035
Energy: 0.42477488437739164
   minimum gb energy = 0.3796556014752365 eV
   minimum distance = 2.6361766300785 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.45830045186593465
Energy: 0.41883564354944014
Energy: 0.4188359804262987
Energy: 0.4091643349576188
Energy: 0.4188368423226026
Energy: 0.4188368011108081
Energy: 0.4308765873254727
Energy: 0.4077210123498633
Energy: 0.4077202596414799
Energy: 0.4077818362626308
Energy: 0.5041720710786877
Energy: 0.5041726056100012
Energy: 0.41825698079235013
Energy: 0.42598374830313906
Energy: 0.4259841950511918
Energy: 0.393947464183219
Energy: 0.43045492184258255
Energy: 0.4304549217594376
Energy: 0.40800910588363554
Energy: 0.4128431692878831
Energy: 0.41284243522683256
Energy: 0.4182696436059831
Energy: 0.509679572989497
Energy: 0.5096793202542934
Energy: 0.46093093228217846
Energy: 0.4128449180239507
Energy: 0.41284238020279723
Energy: 0.40375311118769114
Energy: 0.4304549223837639
Energy: 0.43045492229456955
   minimum gb energy = 0.393947464183219 eV
   minimum distance = 2.63666902349196 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.47264365455573143
Energy: 0.4378977978568785
Energy: 0.43789778706900967
Energy: 0.4234704391212518
Energy: 0.48427057290385833
Energy: 0.48427090710121645
Energy: 0.45671281316690415
Energy: 0.4339953473907477
Energy: 0.4339953476170267
Energy: 0.4224204772687365
Energy: 0.43925523282000484
Energy: 0.4392552289505599
Energy: 0.4368333993343014
Energy: 0.492020347291384
Energy: 0.4920199497618523
Energy: 0.4590087171932329
Energy: 0.4426840826799357
Energy: 0.44268393006544654
Energy: 0.4368339240925006
Energy: 0.5294002849226932
Energy: 0.5293998512116925
Energy: 0.4161251124433673
Energy: 0.438611167373576
Energy: 0.4386111341756215
Energy: 0.4333800016717578
Energy: 0.4304418062894722
Energy: 0.4304413463034629
Energy: 0.4297495277890808
Energy: 0.45696641225145446
Energy: 0.45696586161804953
   minimum gb energy = 0.4161251124433673 eV
   minimum distance = 2.59365941643193 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.49707772724602517
Energy: 0.46721314609006837
Energy: 0.4672126910984387
Energy: 0.46568621518469083
Energy: 0.49443685449890346
Energy: 0.49443710364570165
Energy: 0.44292608793108973
Energy: 0.4480713685977357
Energy: 0.4480720352104933
Energy: 0.4391875080795899
Energy: 0.48954672217303563
Energy: 0.48953979606710424
Energy: 0.4956948373034448
Energy: 0.47129104404613464
Energy: 0.4712910344725651
Energy: 0.4232876637120232
Energy: 0.46633666575616695
Energy: 0.46633668653386207
Energy: 0.48044280558349606
Energy: 0.4508470532409395
Energy: 0.45084714758840605
Energy: 0.46644313660349007
Energy: 0.48506689863285946
Energy: 0.48506690463933055
Energy: 0.4305578326116614
Energy: 0.45107065101287014
Energy: 0.4510706284944412
Energy: 0.4586555676748211
Energy: 0.45081836622001853
Energy: 0.45081837569367533
   minimum gb energy = 0.4232876637120232 eV
   minimum distance = 2.57782698339295 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.5066925660306841
Energy: 0.4693720670674731
Energy: 0.46937203699577185
Energy: 0.44672532622382793
Energy: 0.4705478478000075
Energy: 0.4705479781551572
Energy: 0.46175437691867277
Energy: 0.5279397629888555
Energy: 0.5279399155218367
Energy: 0.4461799279840346
Energy: 0.5148664632031
Energy: 0.514866256254428
Energy: 0.4621174394083091
Energy: 0.4836801974637604
Energy: 0.48368046351885374
Energy: 0.46211785685006096
Energy: 0.49203026586968485
Energy: 0.49203079761655233
Energy: 0.4601391781949289
Energy: 0.49203214186512484
Energy: 0.49203113633639356
Energy: 0.4639111356343426
Energy: 0.4836803109500869
Energy: 0.4836800958731657
Energy: 0.46175438678454406
Energy: 0.5556919618503151
Energy: 0.5556919623371782
Energy: 0.47723052914709246
Energy: 0.4693721368747197
Energy: 0.46937213149610213
   minimum gb energy = 0.4461799279840346 eV
   minimum distance = 2.6180834123311 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.4984318936223317
Energy: 0.4919292364694126
Energy: 0.49192924255896264
Energy: 0.4829408434803878
Energy: 0.492779385321666
Energy: 0.49277851256006516
Energy: 0.45889792332401985
Energy: 0.4927785167304414
Energy: 0.49277854701121226
Energy: 0.45275145735317096
Energy: 0.49277871904760784
Energy: 0.4927790051130376
Energy: 0.46475118367841706
Energy: 0.49190231265371376
Energy: 0.491902151460534
Energy: 0.4575895963755936
Energy: 0.49190108606543115
Energy: 0.49190118340276556
Energy: 0.5002113553924475
Energy: 0.49277863816536144
Energy: 0.4927785195676057
Energy: 0.4611331313584462
Energy: 0.4927786978573634
Energy: 0.4927791260555319
Energy: 0.48294087840713407
Energy: 0.49277873198365785
Energy: 0.4927788370124851
Energy: 0.480281184585978
Energy: 0.491929276671103
Energy: 0.4919292898269878
   minimum gb energy = 0.45275145735317096 eV
   minimum distance = 2.6174357506798 Angstroms
   sigma value = 81

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

Energy: 0.5150421447281501
Energy: 0.5140169853564266
Energy: 0.5140165059880318
Energy: 0.496996295213612
Energy: 0.48243014300888876
Energy: 0.4824301987208374
Energy: 0.54988248625257
Energy: 0.4878381194363244
Energy: 0.4878381225160568
Energy: 0.5464857226532437
Energy: 0.482269707565638
Energy: 0.4822690776390454
Energy: 0.5074085006113708
Energy: 0.5053991051793066
Energy: 0.5053107177068945
Energy: 0.5074091365146883
Energy: 0.5053196082432188
Energy: 0.5054365177194691
Energy: 0.5650111177316405
Energy: 0.4886774472564488
Energy: 0.4886768883762651
Energy: 0.514855244625533
Energy: 0.4878381071412688
Energy: 0.4878381203646993
Energy: 0.4969961377759674
Energy: 0.48243016303658554
Energy: 0.4824302092367693
Energy: 0.5249610666728503
Energy: 0.5096899404652085
Energy: 0.5096901940937076
   minimum gb energy = 0.4822690776390454 eV
   minimum distance = 2.59025773520018 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.5320614173760209
Energy: 0.5314329556197316
Energy: 0.5314329592054166
Energy: 0.534221682242292
Energy: 0.49706001754735785
Energy: 0.4970599973809526
Energy: 0.49947297173923605
Energy: 0.5301165284290817
Energy: 0.5301156469728502
Energy: 0.5057747519042975
Energy: 0.5321243019795352
Energy: 0.5321240538504809
Energy: 0.5069962614614089
Energy: 0.5695979808640633
Energy: 0.5695979113546733
Energy: 0.5109249331343558
Energy: 0.513596158220681
Energy: 0.5135950213611143
Energy: 0.5166781212441105
Energy: 0.5321240827893435
Energy: 0.5321239306944133
Energy: 0.5055054251014697
Energy: 0.5625361431480114
Energy: 0.5625357923024901
Energy: 0.47789129758677484
Energy: 0.541936318065213
Energy: 0.541933284607679
Energy: 0.5244307359863282
Energy: 0.5384669016000696
Energy: 0.5384668567818509
   minimum gb energy = 0.47789129758677484 eV
   minimum distance = 2.53052358634122 Angstroms
   sigma value = 229

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

Energy: 0.5623098954623388
Energy: 0.5355788728348491
Energy: 0.5355787266286904
Energy: 0.5982487266938818
Energy: 0.511307271102044
Energy: 0.5113057712768659
Energy: 0.5571662588575033
Energy: 0.5219659299192918
Energy: 0.5219662228988119
Energy: 0.4983021252458979
Energy: 0.5663991028880935
Energy: 0.5663991158264913
Energy: 0.5020057988023117
Energy: 0.5356153162303907
Energy: 0.5356153144492426
Energy: 0.48871515471905136
Energy: 0.5354696503825085
Energy: 0.5354700404757813
Energy: 0.49788184418193304
Energy: 0.6017920472956971
Energy: 0.6017920020569051
Energy: 0.47992651052049046
Energy: 0.5372852056133632
Energy: 0.5372851714154271
Energy: 0.5094525989270621
Energy: 0.5244176920664827
Energy: 0.524417692217703
Energy: 0.5078564545839014
Energy: 0.5355789522792461
Energy: 0.5355789091846324
   minimum gb energy = 0.47992651052049046 eV
   minimum distance = 2.59669476106884 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.5922750174894451
Energy: 0.5376164601518614
Energy: 0.5376164617931246
Energy: 0.49281553926329813
Energy: 0.5557350708129359
Energy: 0.5557381460510455
Energy: 0.5069307862178655
Energy: 0.5650444742499574
Energy: 0.5650438656894715
Energy: 0.5056808756193468
Energy: 0.5317513216788604
Energy: 0.5317502648245969
Energy: 0.5342194288493048
Energy: 0.5376165361753282
Energy: 0.537616572532323
Energy: 0.5331293373017507
Energy: 0.5352114093264507
Energy: 0.5352013953907306
Energy: 0.5387957385922012
Energy: 0.5259425220366128
Energy: 0.5259425214121015
Energy: 0.5259425216668603
Energy: 0.525062983812795
Energy: 0.525063684937355
Energy: 0.520262909332367
Energy: 0.5803466845393175
Energy: 0.5803466177793281
Energy: 0.51535598198651
Energy: 0.5566476685720531
Energy: 0.5566521996971736
   minimum gb energy = 0.49281553926329813 eV
   minimum distance = 2.57912382029189 Angstroms
   sigma value = 173

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

Energy: 0.5712338789930446
Energy: 0.5769054967562632
Energy: 0.5769055102844691
Energy: 0.5359882127780271
Energy: 0.5452521626269932
Energy: 0.5452528790108744
Energy: 0.5717213666029907
Energy: 0.5567484884023873
Energy: 0.5567484808557572
Energy: 0.5363580759835759
Energy: 0.5712171483866489
Energy: 0.5712173847575448
Energy: 0.544759648401465
Energy: 0.5583097765214441
Energy: 0.558309568263284
Energy: 0.5387359381110589
Energy: 0.5239679762895784
Energy: 0.5239685530365092
Energy: 0.5800765322003977
Energy: 0.5560605348955397
Energy: 0.5560609143615903
Energy: 0.5134027960298828
Energy: 0.5386118443035257
Energy: 0.5386118434659076
Energy: 0.5206202432961676
Energy: 0.5474102186545173
Energy: 0.5473899436626103
Energy: 0.5409876048282993
Energy: 0.5292886476151643
Energy: 0.5292886478055238
   minimum gb energy = 0.5134027960298828 eV
   minimum distance = 2.56106714335317 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 0.5991780583858498
Energy: 0.5890089840897664
Energy: 0.5890091643977071
Energy: 0.5389811459457086
Energy: 0.7036692956398121
Energy: 0.7036697941009287
Energy: 0.5599849428562046
Energy: 0.5441897433910307
Energy: 0.5441897404081896
Energy: 0.5739127905117303
Energy: 0.578500150696629
Energy: 0.5785002154310135
Energy: 0.5436533677401206
Energy: 0.5441897456603387
Energy: 0.5441897387400393
Energy: 0.5605221475599326
Energy: 0.5672567994761659
Energy: 0.5672567988472499
Energy: 0.534676823125797
Energy: 0.5423921003592118
Energy: 0.542392160046837
Energy: 0.5740482207464866
Energy: 0.5328352066461697
Energy: 0.5328348404956281
Energy: 0.5541817714024632
Energy: 0.5363777585614928
Energy: 0.5363778338319021
Energy: 0.5765964187311543
Energy: 0.5449024003367334
Energy: 0.5449034838335877
   minimum gb energy = 0.5328348404956281 eV
   minimum distance = 2.52247878075996 Angstroms
   sigma value = 31

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

Energy: 0.5591927388059559
Energy: 0.5386848738631725
Energy: 0.5386848735684345
Energy: 0.5249307050968836
Energy: 0.5352653609459757
Energy: 0.5352653608976583
Energy: 0.604636782352402
Energy: 0.621403549990297
Energy: 0.6214035677190985
Energy: 0.5746432850419468
Energy: 0.5276487525236758
Energy: 0.5276487478262132
Energy: 0.556091157721957
Energy: 0.5752442393931281
Energy: 0.5752442392906926
Energy: 0.5212447629548972
Energy: 0.5352653651225818
Energy: 0.5352653610319758
Energy: 0.4955462566986843
Energy: 0.5386848735983829
Energy: 0.5386848735636004
Energy: 0.4955462444423785
Energy: 0.5212427897216756
Energy: 0.5212427897274763
Energy: 0.5525667083834854
Energy: 0.5767632042844293
Energy: 0.5767632234076888
Energy: 0.5525667028974766
Energy: 0.5767634930049768
Energy: 0.5767632081575964
   minimum gb energy = 0.4955462444423785 eV
   minimum distance = 2.54015000286198 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 0.5948129560967266
Energy: 0.5769827190035043
Energy: 0.5769827193366641
Energy: 0.5813066601342647
Energy: 0.5497674556279272
Energy: 0.5497680023487896
Energy: 0.6065391311752661
Energy: 0.5431544557242469
Energy: 0.5431368034004792
Energy: 0.5573572490757344
Energy: 0.5769823857309194
Energy: 0.5769821584688435
Energy: 0.5543174254201217
Energy: 0.5582549384124316
Energy: 0.5582549143804497
Energy: 0.5935062884108908
Energy: 0.5545902891563803
Energy: 0.5545902877099023
Energy: 0.5343204188941988
Energy: 0.5762837584890823
Energy: 0.5762815119211414
Energy: 0.5766254919282859
Energy: 0.5463218374866371
Energy: 0.5463218379120075
Energy: 0.5643955980482509
Energy: 0.5536070098997874
Energy: 0.5536071805904942
Energy: 0.5157228878116604
Energy: 0.5769825638576873
Energy: 0.5769822219438255
   minimum gb energy = 0.5157228878116604 eV
   minimum distance = 2.50871847572579 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 0.6127242590422165
Energy: 0.5771878934562402
Energy: 0.5771886448317973
Energy: 0.5398385510676471
Energy: 0.6448852063429334
Energy: 0.6448856315730258
Energy: 0.5740113115459369
Energy: 0.6064160491367572
Energy: 0.6064160530714475
Energy: 0.564559098024474
Energy: 0.5481567565573059
Energy: 0.5481564873242745
Energy: 0.5772382681530445
Energy: 0.543966721445214
Energy: 0.543966587507472
Energy: 0.6216215986121524
Energy: 0.5558173186266737
Energy: 0.5558176231489865
Energy: 0.5669943600699037
Energy: 0.5433547497440365
Energy: 0.5433552622887605
Energy: 0.5298390621362777
Energy: 0.543323570922545
Energy: 0.5433237000405272
Energy: 0.6064387969513347
Energy: 0.5529377224109223
Energy: 0.5529382450078064
Energy: 0.561602842002458
Energy: 0.5577005125642238
Energy: 0.5576998250843901
   minimum gb energy = 0.5298390621362777 eV
   minimum distance = 2.55551057679857 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 0.6048390491739839
Energy: 0.559122829094295
Energy: 0.5591228288276547
Energy: 0.5293078920603598
Energy: 0.5611507843032042
Energy: 0.561150739674484
Energy: 0.5678742229152727
Energy: 0.560386575909255
Energy: 0.5603864199028359
Energy: 0.5736492563213496
Energy: 0.5813077933967354
Energy: 0.5813068653431194
Energy: 0.5707775440310159
Energy: 0.5970294197492118
Energy: 0.5970274804337594
Energy: 0.5684049786216675
Energy: 0.5813779729804883
Energy: 0.5813779732426947
Energy: 0.595991734704231
Energy: 0.5585111452992525
Energy: 0.5585111452811472
Energy: 0.5788715401969532
Energy: 0.5941648933284814
Energy: 0.5941678566778653
Energy: 0.5710551340924211
Energy: 0.5545629783226291
Energy: 0.5545626922334184
Energy: 0.5108476952329231
Energy: 0.5777990870827475
Energy: 0.5777990692485517
   minimum gb energy = 0.5108476952329231 eV
   minimum distance = 2.5117688613237 Angstroms
   sigma value = 89

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

Energy: 0.5364794585819412
Energy: 0.5915199562991293
Energy: 0.5915199557302593
Energy: 0.6368206206147025
Energy: 0.4971436476975455
Energy: 0.4971436476987412
Energy: 0.6690339184054128
Energy: 0.5915200466704903
Energy: 0.5915200895705817
Energy: 0.4971436564599393
Energy: 0.5592608945963412
Energy: 0.5592617886072287
Energy: 0.6364818541683598
Energy: 0.5893830945771771
Energy: 0.5893832894685838
Energy: 0.4971436476844209
Energy: 0.5826978067144035
Energy: 0.582697729276245
Energy: 0.5872021412745599
Energy: 0.659109416032225
Energy: 0.6591094093660234
Energy: 0.5520267263247074
Energy: 0.5826981291731268
Energy: 0.5826979112547478
Energy: 0.5537690766882425
Energy: 0.5915200826056112
Energy: 0.5915200902266777
Energy: 0.5144467950112065
Energy: 0.49714364890101775
Energy: 0.49714365232494484
   minimum gb energy = 0.4971436476844209 eV
   minimum distance = 2.60980640522012 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 0.6039771049681745
Energy: 0.5671323372614187
Energy: 0.5671316731059131
Energy: 0.5621351422324237
Energy: 0.5922390304328147
Energy: 0.5922392370591131
Energy: 0.5919683177305284
Energy: 0.5786567107199624
Energy: 0.5786572256191612
Energy: 0.5764887994515256
Energy: 0.5734970018087105
Energy: 0.5734943372813411
Energy: 0.5911900982619821
Energy: 0.59800995886254
Energy: 0.5980098804481804
Energy: 0.5895544990701845
Energy: 0.6024182103145074
Energy: 0.6024177440277423
Energy: 0.568094728690218
Energy: 0.5671322243040322
Energy: 0.5671317451064469
Energy: 0.5621351346162473
Energy: 0.5722795344113836
Energy: 0.572281798627461
Energy: 0.6055035783839158
Energy: 0.5967765229723029
Energy: 0.596776064068692
Energy: 0.5448513228782256
Energy: 0.573494076574382
Energy: 0.5734942805937882
   minimum gb energy = 0.5448513228782256 eV
   minimum distance = 2.5103430759408 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 0.5969638630189015
Energy: 0.5904301125496415
Energy: 0.5904300665587476
Energy: 0.5480822117574717
Energy: 0.5943927811235851
Energy: 0.594392784606875
Energy: 0.6184080356558816
Energy: 0.6321806624574149
Energy: 0.6321805854411442
Energy: 0.5480821359733293
Energy: 0.5904303031319232
Energy: 0.5904302830840719
Energy: 0.5825302918848302
Energy: 0.5904303741194232
Energy: 0.5904300662769668
Energy: 0.6383076634153945
Energy: 0.6372658809684247
Energy: 0.6372615834358076
Energy: 0.5598350175118405
Energy: 0.5581879410489907
Energy: 0.5581879497295243
Energy: 0.5480824267256903
Energy: 0.5904302013852625
Energy: 0.5904305558768417
Energy: 0.582530038419934
Energy: 0.5733743620927045
Energy: 0.5733743310859389
Energy: 0.6235122739869825
Energy: 0.5932287134895752
Energy: 0.5932287097474196
   minimum gb energy = 0.5480821359733293 eV
   minimum distance = 2.51183528129181 Angstroms
   sigma value = 65

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

Energy: 0.5747057074868147
Energy: 0.5691814548409546
Energy: 0.5691816955729169
Energy: 0.5560238254048163
Energy: 0.5355589559025901
Energy: 0.5355591656771854
Energy: 0.5481551652141166
Energy: 0.5890801557736247
Energy: 0.589080154836184
Energy: 0.5610842230915338
Energy: 0.5243175085026287
Energy: 0.5243175391215479
Energy: 0.6823544836477109
Energy: 0.5747049415724315
Energy: 0.5747060988815117
Energy: 0.6446868553727725
Energy: 0.5739957201889645
Energy: 0.5739957201700046
Energy: 0.5481552406534573
Energy: 0.5390272090135853
Energy: 0.5390271412266199
Energy: 0.5469450644954508
Energy: 0.5636573684997347
Energy: 0.5636572913419321
Energy: 0.5747074544156171
Energy: 0.5691823301910254
Energy: 0.5691819384518173
Energy: 0.510419759693704
Energy: 0.5992556489388986
Energy: 0.5992551862600161
   minimum gb energy = 0.510419759693704 eV
   minimum distance = 2.55677273622143 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 0.572814016039693
Energy: 0.5544183838492276
Energy: 0.5544183837746667
Energy: 0.636585352349033
Energy: 0.5771222623478626
Energy: 0.5771222611537934
Energy: 0.5557274476617079
Energy: 0.5734920602705106
Energy: 0.5734915968432491
Energy: 0.5420064756951494
Energy: 0.6221507879979784
Energy: 0.6221507879975062
Energy: 0.6858878764245667
Energy: 0.6131407587282858
Energy: 0.6131408697975782
Energy: 0.5420064879724166
Energy: 0.6357378405723448
Energy: 0.6357364546983034
Energy: 0.5434622027860013
Energy: 0.5872800945584561
Energy: 0.5872796886587355
Energy: 0.6144675274273347
Energy: 0.5771222633720342
Energy: 0.5771222596279132
Energy: 0.5728135412824354
Energy: 0.5544183840243405
Energy: 0.5544183838511163
Energy: 0.627251151011377
Energy: 0.5815747420897517
Energy: 0.581574742087863
   minimum gb energy = 0.5420064756951494 eV
   minimum distance = 2.52520764083285 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 0.5972955286126942
Energy: 0.5920663445464283
Energy: 0.5920663429697983
Energy: 0.5527981781469908
Energy: 0.5920844051735221
Energy: 0.5920845316579226
Energy: 0.5650033700162648
Energy: 0.5737853879431281
Energy: 0.5737857090613165
Energy: 0.5722245622169708
Energy: 0.5877008179490386
Energy: 0.5877008168408409
Energy: 0.6657478915769691
Energy: 0.5973048153480862
Energy: 0.5972982976634571
Energy: 0.5350348223258712
Energy: 0.5877008455493385
Energy: 0.587700854972842
Energy: 0.5650034776786667
Energy: 0.5737851661807343
Energy: 0.573785259733235
Energy: 0.5527987588052764
Energy: 0.5920840295782221
Energy: 0.592085100714365
Energy: 0.5972978634792082
Energy: 0.5920681631972454
Energy: 0.5920669344561589
Energy: 0.5527964289635436
Energy: 0.5920846442947271
Energy: 0.5920845701790154
   minimum gb energy = 0.5350348223258712 eV
   minimum distance = 2.50455824483624 Angstroms
   sigma value = 185

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

Energy: 0.4784413494516777
Energy: 0.4784413494501188
Energy: 0.4784413494516777
Energy: 0.5805677337773895
Energy: 0.4768212646758591
Energy: 0.4768212635165361
Energy: 0.4913087516836573
Energy: 0.5385256533722832
Energy: 0.5385255208470094
Energy: 0.6110904813391936
Energy: 0.4768212991464646
Energy: 0.47682126351965387
Energy: 0.478441349447001
Energy: 0.47844134945323663
Energy: 0.47844134944855987
Energy: 0.580567704780743
Energy: 0.476821263518095
Energy: 0.4768212635290072
Energy: 0.4913086213772605
Energy: 0.5385253927329883
Energy: 0.5385254178123043
Energy: 0.6110894115601362
Energy: 0.508628434968685
Energy: 0.5086284622232643
Energy: 0.4784413494501188
Energy: 0.4784413494547955
Energy: 0.4784413494516777
Energy: 0.5805677618717888
Energy: 0.5086284402992967
Energy: 0.5086284729109887
   minimum gb energy = 0.4768212635165361 eV
   minimum distance = 2.59477507161311 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 0.5670440968063101
Energy: 0.5625700461757495
Energy: 0.5625705554378626
Energy: 0.6884131597823133
Energy: 0.5932308363353405
Energy: 0.5932308358626825
Energy: 0.5610885303083821
Energy: 0.5744201670528314
Energy: 0.5744201828772972
Energy: 0.5557161460078814
Energy: 0.5588999783925724
Energy: 0.558899974945417
Energy: 0.5904269296836211
Energy: 0.6097685254354753
Energy: 0.6097680477669158
Energy: 0.5640989841017727
Energy: 0.5687645535300194
Energy: 0.5687653197210466
Energy: 0.7140867395925399
Energy: 0.578573893039407
Energy: 0.5785750370489653
Energy: 0.5588999840482478
Energy: 0.6043744902747814
Energy: 0.6043743686204829
Energy: 0.6774468228497036
Energy: 0.5669700192024806
Energy: 0.5669706410300189
Energy: 0.5648924754840096
Energy: 0.5613496334217533
Energy: 0.5613492811851374
   minimum gb energy = 0.5557161460078814 eV
   minimum distance = 2.5045950220724 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 0.5753615014291532
Energy: 0.5770462817961868
Energy: 0.5770464149706697
Energy: 0.5206127589064445
Energy: 0.5764396880324628
Energy: 0.5764376765113749
Energy: 0.509605302080109
Energy: 0.6076013517377682
Energy: 0.6076019037520893
Energy: 0.5272213001093732
Energy: 0.6110253527324044
Energy: 0.6110245388172234
Energy: 0.5765606806933969
Energy: 0.5750725207918863
Energy: 0.5750725810963876
Energy: 0.6388916269959043
Energy: 0.5660292896309677
Energy: 0.5660291469199792
Energy: 0.7008589935139858
Energy: 0.5096005108789445
Energy: 0.5096005395103996
Energy: 0.6332766731611936
Energy: 0.5031104204751972
Energy: 0.5031109050497722
Energy: 0.6576800163979697
Energy: 0.5776623513738778
Energy: 0.5776619168533015
Energy: 0.6313575265346478
Energy: 0.5785728438323441
Energy: 0.5785729760684611
   minimum gb energy = 0.5031104204751972 eV
   minimum distance = 2.57637418375965 Angstroms
   sigma value = 137

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

Energy: 0.5261449216459394
Energy: 0.6037598524970128
Energy: 0.6037621339851285
Energy: 0.6922150277672424
Energy: 0.5501944401736926
Energy: 0.5501945160143445
Energy: 0.6166421191230146
Energy: 0.6053563399905476
Energy: 0.6053541031691783
Energy: 0.5401917948255481
Energy: 0.6142176155258107
Energy: 0.6142186153841586
Energy: 0.6083526780859688
Energy: 0.5970334680378941
Energy: 0.5970345709908156
Energy: 0.5401696062824848
Energy: 0.6050794856709658
Energy: 0.605080611009752
Energy: 0.7031604363477765
Energy: 0.6258092027872612
Energy: 0.6258085930753415
Energy: 0.540191923645168
Energy: 0.5865595126542802
Energy: 0.5865594319421096
Energy: 0.6518139585583291
Energy: 0.5460850304261021
Energy: 0.5460913332080878
Energy: 0.5401958677113939
Energy: 0.546091172342598
Energy: 0.546091260181257
   minimum gb energy = 0.5261449216459394 eV
   minimum distance = 2.57621773452418 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 0.5717090927117778
Energy: 0.5759951315972062
Energy: 0.575994993248613
Energy: 0.5576770899280531
Energy: 0.5809816125349636
Energy: 0.5809854924615979
Energy: 0.5668655584666517
Energy: 0.6003453901139597
Energy: 0.6003454452069078
Energy: 0.5152472174921326
Energy: 0.5759951724872632
Energy: 0.5759950807141822
Energy: 0.595461102651437
Energy: 0.565280482113027
Energy: 0.5652872946264725
Energy: 0.5316613326505014
Energy: 0.5739684013729416
Energy: 0.5739684292816783
Energy: 0.5285879326174516
Energy: 0.6029430279409422
Energy: 0.6029420265437035
Energy: 0.5638005385228406
Energy: 0.5755851858644977
Energy: 0.5755851858938418
Energy: 0.5524163969097501
Energy: 0.5607242211631218
Energy: 0.560724722100901
Energy: 0.5676159744714735
Energy: 0.6004945746334414
Energy: 0.6004944931466379
   minimum gb energy = 0.5152472174921326 eV
   minimum distance = 2.55965653210434 Angstroms
   sigma value = 97

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

Energy: 0.552396254430224
Energy: 0.5637297969397467
Energy: 0.5637297969333387
Energy: 0.5505298939896756
Energy: 0.5416623990384342
Energy: 0.5416619525011316
Energy: 0.5787366810134443
Energy: 0.6116861662633701
Energy: 0.6116861878109223
Energy: 0.5416701121153393
Energy: 0.6036785226437942
Energy: 0.6036781985072962
Energy: 0.6839818615331866
Energy: 0.5084487981857609
Energy: 0.508448798395287
Energy: 0.6117090480978977
Energy: 0.575301333817968
Energy: 0.5753013866185788
Energy: 0.5973465129277098
Energy: 0.5278464049620379
Energy: 0.5278464039171119
Energy: 0.5843788383060774
Energy: 0.5647534240087706
Energy: 0.5647505978830112
Energy: 0.5948139582408324
Energy: 0.5960637343355097
Energy: 0.5960637343199477
Energy: 0.551233874598368
Energy: 0.5764856870692113
Energy: 0.576485593854499
   minimum gb energy = 0.5084487981857609 eV
   minimum distance = 2.4987328025147 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 0.5271599133196834
Energy: 0.5309546638362331
Energy: 0.5309546577007664
Energy: 0.5259140567103295
Energy: 0.5913165091903313
Energy: 0.5913192651610195
Energy: 0.647052095486794
Energy: 0.5808463007660144
Energy: 0.5808463210202109
Energy: 0.559320264408134
Energy: 0.6083333116772768
Energy: 0.6083324549666987
Energy: 0.5465059860417881
Energy: 0.6529634326775453
Energy: 0.6529630934610259
Energy: 0.5464991965148785
Energy: 0.5833414409900577
Energy: 0.5833414371727742
Energy: 0.5767357264576827
Energy: 0.5185049847986268
Energy: 0.5185031807096779
Energy: 0.6925778443606062
Energy: 0.5332733095537121
Energy: 0.5332773139180491
Energy: 0.5767359788213833
Energy: 0.5669420085962421
Energy: 0.5669396669163048
Energy: 0.5588141261540126
Energy: 0.580532576252803
Energy: 0.5805325297863075
   minimum gb energy = 0.5185031807096779 eV
   minimum distance = 2.49772170064408 Angstroms
   sigma value = 169

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

Energy: 0.5189829431890518
Energy: 0.5291514675476648
Energy: 0.5291514625475929
Energy: 0.5882941526431551
Energy: 0.5133185363745455
Energy: 0.513319070259358
Energy: 0.5857712541368056
Energy: 0.6369930515858816
Energy: 0.6369928309731991
Energy: 0.541119776304491
Energy: 0.5948328534329878
Energy: 0.5948427977224874
Energy: 0.5189845886408706
Energy: 0.5868007258802714
Energy: 0.5868007245998306
Energy: 0.6114693230404012
Energy: 0.5513191921411866
Energy: 0.5513178418187452
Energy: 0.5342352386189013
Energy: 0.5672203099773562
Energy: 0.567220797844942
Energy: 0.5534313257693249
Energy: 0.5564581499601403
Energy: 0.5564565007161932
Energy: 0.6778589943080344
Energy: 0.5606578973438691
Energy: 0.5606565517193591
Energy: 0.5411200410580931
Energy: 0.5898098875695642
Energy: 0.5898039148910632
   minimum gb energy = 0.5133185363745455 eV
   minimum distance = 2.49955382344256 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 0.5467047720594437
Energy: 0.537045044212229
Energy: 0.5370399175371464
Energy: 0.563863595597178
Energy: 0.5645561070345811
Energy: 0.5645559064725948
Energy: 0.6432931185335884
Energy: 0.533917537503573
Energy: 0.5339171099687349
Energy: 0.5502944186522127
Energy: 0.5798973483833891
Energy: 0.5798973439746616
Energy: 0.5559240542578399
Energy: 0.6384140314588987
Energy: 0.6384158784948101
Energy: 0.5872823621466992
Energy: 0.5587554139417773
Energy: 0.5587560865136048
Energy: 0.5256108871673827
Energy: 0.596525753376051
Energy: 0.5965231897571199
Energy: 0.5604444142519306
Energy: 0.6549034198002796
Energy: 0.6548997257088907
Energy: 0.5814342698710459
Energy: 0.5782736531012139
Energy: 0.5782746926458838
Energy: 0.6806738830131859
Energy: 0.5970758404661484
Energy: 0.5970774349819418
   minimum gb energy = 0.5256108871673827 eV
   minimum distance = 2.50277939900521 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 0.5405697134567335
Energy: 0.5318504793063086
Energy: 0.5318504788854568
Energy: 0.5646757932250102
Energy: 0.5609461409410719
Energy: 0.5609462783006005
Energy: 0.5933505428212624
Energy: 0.5383994572712362
Energy: 0.5384037382208643
Energy: 0.5487138377631855
Energy: 0.5473656158252598
Energy: 0.5473672495860177
Energy: 0.694477571526095
Energy: 0.5358602634276851
Energy: 0.5358551514180544
Energy: 0.6391999869766506
Energy: 0.613717028592376
Energy: 0.613717020536681
Energy: 0.5528872599239244
Energy: 0.6129633414319302
Energy: 0.6129643286531217
Energy: 0.5597475505682034
Energy: 0.5297729386119752
Energy: 0.5297752207608653
Energy: 0.5689584971917033
Energy: 0.6017367153300601
Energy: 0.6017280498212809
Energy: 0.5329346460370191
Energy: 0.604370668623823
Energy: 0.6043717569685928
   minimum gb energy = 0.5297729386119752 eV
   minimum distance = 2.51370138073328 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 0.5321919354656554
Energy: 0.5296782370491954
Energy: 0.5296812402642163
Energy: 0.657825305735268
Energy: 0.527607487163988
Energy: 0.5276055127015421
Energy: 0.5404132302005583
Energy: 0.5570079418195324
Energy: 0.5570139274594207
Energy: 0.6931589790082515
Energy: 0.5315576448257622
Energy: 0.5315562741421415
Energy: 0.5809361390461488
Energy: 0.5579977734225502
Energy: 0.5579977729948011
Energy: 0.5934558883185685
Energy: 0.5294764232338193
Energy: 0.5294751074768654
Energy: 0.5509837303935061
Energy: 0.5717097420280645
Energy: 0.5717052249648381
Energy: 0.5532812349273257
Energy: 0.5333953832209252
Energy: 0.5334008640594893
Energy: 0.5580570454293848
Energy: 0.5272477929187245
Energy: 0.5272411892136413
Energy: 0.6073752024337491
Energy: 0.5455662336730338
Energy: 0.5455662379628573
   minimum gb energy = 0.5272411892136413 eV
   minimum distance = 2.55973458348968 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 0.5269934098057337
Energy: 0.5277808348485824
Energy: 0.5277796362678902
Energy: 0.5388040409682836
Energy: 0.5492669332512614
Energy: 0.5492671595640128
Energy: 0.5457065520821136
Energy: 0.5549288271864098
Energy: 0.5549374211300003
Energy: 0.5550186645624835
Energy: 0.5722522092409758
Energy: 0.5722557900565042
Energy: 0.5538772780429259
Energy: 0.5739977732770335
Energy: 0.5739877496845659
Energy: 0.5808233939875787
Energy: 0.5627515975051295
Energy: 0.5627395792120999
Energy: 0.6160984796818009
Energy: 0.5393708764748881
Energy: 0.5393544853270523
Energy: 0.6305072184167011
Energy: 0.5247364275690815
Energy: 0.5247364499543018
Energy: 0.5569612397746094
Energy: 0.5299804832777839
Energy: 0.5299804856187208
Energy: 0.6137336660856781
Energy: 0.5351617295495409
Energy: 0.5351618844953819
   minimum gb energy = 0.5247364275690815 eV
   minimum distance = 2.5654388866561 Angstroms
   sigma value = 137

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

Energy: 0.4816546515197333
Energy: 0.5144011858343709
Energy: 0.5144011857920573
Energy: 0.6165979081713647
Energy: 0.4816546556330396
Energy: 0.48165464977843997
Energy: 0.591481589768313
Energy: 0.4820099826812023
Energy: 0.4820099869846815
Energy: 0.48165465325268414
Energy: 0.4602055523974164
Energy: 0.46020555211492525
Energy: 0.4816546480329378
Energy: 0.4816546481228509
Energy: 0.481654649727308
Energy: 0.5592760924497175
Energy: 0.48201008113031363
Energy: 0.4820099964356309
Energy: 0.5525033890147286
Energy: 0.49835743213948097
Energy: 0.49835743213993194
Energy: 0.5592760928542891
Energy: 0.4816546480199356
Energy: 0.4816546480523284
Energy: 0.5592760924428782
Energy: 0.48165464804087943
Energy: 0.48165464802963087
Energy: 0.5260800054385102
Energy: 0.4983574321403828
Energy: 0.498357432145218
   minimum gb energy = 0.46020555211492525 eV
   minimum distance = 2.60710204106278 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 0.5012764334273724
Energy: 0.5215562385634573
Energy: 0.5215678430344681
Energy: 0.4978482895800097
Energy: 0.553308398622283
Energy: 0.5533082361440126
Energy: 0.501735917060728
Energy: 0.5534674128905612
Energy: 0.5534682752564211
Energy: 0.4943230583876187
Energy: 0.5449394763365717
Energy: 0.5449421684310896
Energy: 0.5796582799667903
Energy: 0.5214464632106298
Energy: 0.5214431131851033
Energy: 0.5328254905225361
Energy: 0.49567828292483807
Energy: 0.4956780758108859
Energy: 0.4946904302232303
Energy: 0.5008640390978678
Energy: 0.5008641263886664
Energy: 0.5122464218316218
Energy: 0.4987927466439718
Energy: 0.4988040115527965
Energy: 0.5289399787005545
Energy: 0.5342385966572447
Energy: 0.5342416226377966
Energy: 0.5309860657277649
Energy: 0.6019675885190935
Energy: 0.6019583661800677
   minimum gb energy = 0.4943230583876187 eV
   minimum distance = 2.58425971713872 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 0.5005626968033549
Energy: 0.522953208429994
Energy: 0.5229498012440709
Energy: 0.4921038913598691
Energy: 0.5298603810259981
Energy: 0.5298603037653111
Energy: 0.5446926822192723
Energy: 0.49334416920341667
Energy: 0.4933472741681344
Energy: 0.5229738595341339
Energy: 0.5464822363678987
Energy: 0.5464836953402427
Energy: 0.5045297678216202
Energy: 0.5580941684021381
Energy: 0.5580929396616243
Energy: 0.551608222974144
Energy: 0.5165992385271606
Energy: 0.5165995268985504
Energy: 0.501372089764883
Energy: 0.559565638059008
Energy: 0.5595743623682146
Energy: 0.5186255503769647
Energy: 0.6531769890280394
Energy: 0.6534163984050294
Energy: 0.5517165642135006
Energy: 0.49528526581103216
Energy: 0.49528112808717273
Energy: 0.5813192040753018
Energy: 0.49391177643520756
Energy: 0.49391786517264646
   minimum gb energy = 0.4921038913598691 eV
   minimum distance = 2.58530326704992 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 0.4998103970714718
Energy: 0.52468658786668
Energy: 0.5246918978861795
Energy: 0.5199824465277741
Energy: 0.5207295461705833
Energy: 0.5207344712450306
Energy: 0.5022817320893855
Energy: 0.5223169025501291
Energy: 0.5223207150745621
Energy: 0.4924103370287759
Energy: 0.5280070693838468
Energy: 0.5280083328546517
Energy: 0.5009219646221109
Energy: 0.5361245156046557
Energy: 0.5361125193300126
Energy: 0.5592874089075333
Energy: 0.4889513147198887
Energy: 0.4889479988919428
Energy: 0.5016564038071275
Energy: 0.5309554510848294
Energy: 0.530955448941208
Energy: 0.5008406667542707
Energy: 0.565423056351944
Energy: 0.5654366526932931
Energy: 0.513684556393251
Energy: 0.49240978203025254
Energy: 0.4924094838137353
Energy: 0.49675024055628686
Energy: 0.5599943862662745
Energy: 0.559993919975561
   minimum gb energy = 0.4889479988919428 eV
   minimum distance = 2.56260869886831 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 0.49892064878695236
Energy: 0.5266953610942342
Energy: 0.5266954208223951
Energy: 0.4943022645057941
Energy: 0.5562077015170335
Energy: 0.5562057084132837
Energy: 0.48377381370832145
Energy: 0.5539080849692232
Energy: 0.5539070394028509
Energy: 0.5158701333020658
Energy: 0.49730710969789343
Energy: 0.4973071078093312
Energy: 0.5521818786479172
Energy: 0.5479939626170628
Energy: 0.5479942539721657
Energy: 0.6224879834818156
Energy: 0.48688128671437964
Energy: 0.4868810034988074
Energy: 0.5895775808639927
Energy: 0.48617905159664365
Energy: 0.4861790099418025
Energy: 0.4831160315499984
Energy: 0.5479939517858943
Energy: 0.5479939061916985
Energy: 0.5158559168815572
Energy: 0.49147580465927854
Energy: 0.49146792719780275
Energy: 0.4912264303288037
Energy: 0.5597127641065428
Energy: 0.5597127625386534
   minimum gb energy = 0.4831160315499984 eV
   minimum distance = 2.58085514494981 Angstroms
   sigma value = 53

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

Energy: 0.5055192297096761
Energy: 0.516660130207469
Energy: 0.5166541006825448
Energy: 0.5868310333976575
Energy: 0.49375269518839654
Energy: 0.4937530600470469
Energy: 0.4939703392399615
Energy: 0.6136151722965087
Energy: 0.6136132080397847
Energy: 0.5981601371695634
Energy: 0.48962043851364945
Energy: 0.4896236748782585
Energy: 0.5022627982819063
Energy: 0.6842911722270426
Energy: 0.6842911702547844
Energy: 0.630558291593278
Energy: 0.49408875093594024
Energy: 0.49409820799709614
Energy: 0.5110108530934784
Energy: 0.5350320053468338
Energy: 0.5350325174199423
Energy: 0.5553641788440253
Energy: 0.5222348275268772
Energy: 0.5222336752123277
Energy: 0.49526609060053817
Energy: 0.5865897864208038
Energy: 0.5865894466968439
Energy: 0.6177775409830816
Energy: 0.4895106108911675
Energy: 0.4895101764584511
   minimum gb energy = 0.4895101764584511 eV
   minimum distance = 2.57207449932991 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 0.5013055523157534
Energy: 0.5063470483002667
Energy: 0.5063438717391091
Energy: 0.4909062988923066
Energy: 0.49040172706588003
Energy: 0.4904036539344217
Energy: 0.4995969538589864
Energy: 0.4926429520820243
Energy: 0.492637974938781
Energy: 0.4878986174468152
Energy: 0.5704545847112861
Energy: 0.5704545840629198
Energy: 0.5454767711016845
Energy: 0.5142609110801827
Energy: 0.514255779911768
Energy: 0.5006478413790995
Energy: 0.573082873394848
Energy: 0.5730847195301576
Energy: 0.511885809592346
Energy: 0.5256833149930147
Energy: 0.5256831734138373
Energy: 0.4818618089608142
Energy: 0.574722182231489
Energy: 0.5747082371176274
Energy: 0.48232672681872396
Energy: 0.5849099439582293
Energy: 0.5849106191713782
Energy: 0.49415508661112884
Energy: 0.5057172053891696
Energy: 0.5057164030383239
   minimum gb energy = 0.4818618089608142 eV
   minimum distance = 2.56969882459329 Angstroms
   sigma value = 3

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

Energy: 0.4818966393216658
Energy: 0.4766114016598469
Energy: 0.47660866360714793
Energy: 0.46546482236877235
Energy: 0.5045516290609301
Energy: 0.5045520053267587
Energy: 0.4654648207200678
Energy: 0.6970233170184029
Energy: 0.6970233159646123
Energy: 0.4620699765796773
Energy: 0.5717973466502668
Energy: 0.5717973465860526
Energy: 0.48189663531273097
Energy: 0.4873908588299209
Energy: 0.4873886767769598
Energy: 0.6246988087986077
Energy: 0.46585303679713597
Energy: 0.4658507895794378
Energy: 0.5220473111080904
Energy: 0.4658565212675319
Energy: 0.46585367184755544
Energy: 0.48189671656475946
Energy: 0.5717973900810253
Energy: 0.5717973935212545
Energy: 0.46206959435704226
Energy: 0.5325326939149203
Energy: 0.5325482742598191
Energy: 0.4654648227667971
Energy: 0.4818966546695515
Energy: 0.4818966452953617
   minimum gb energy = 0.46206959435704226 eV
   minimum distance = 2.57617841474633 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 0.5148296283112372
Energy: 0.49861978125274703
Energy: 0.4986216586797257
Energy: 0.47552600002475554
Energy: 0.550634546781974
Energy: 0.550632520631429
Energy: 0.47436673660442913
Energy: 0.5361389982134982
Energy: 0.5361368641883639
Energy: 0.5266153102479665
Energy: 0.5889462285614725
Energy: 0.588940384637207
Energy: 0.5579533093644953
Energy: 0.47111218586549597
Energy: 0.47111267685508745
Energy: 0.5285845715662695
Energy: 0.5085535679768224
Energy: 0.5085574128258966
Energy: 0.5101541029868922
Energy: 0.5247573374415874
Energy: 0.5247556787723585
Energy: 0.46944855437184435
Energy: 0.5725883977391737
Energy: 0.5725864961147342
Energy: 0.4774887124443452
Energy: 0.5884673228795225
Energy: 0.5884673801136977
Energy: 0.47172712043497633
Energy: 0.5920428610879895
Energy: 0.5920432551016876
   minimum gb energy = 0.46944855437184435 eV
   minimum distance = 2.57173519973527 Angstroms
   sigma value = 233

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

Energy: 0.48613747377883354
Energy: 0.48127338511387446
Energy: 0.4812739393776311
Energy: 0.4698991753708395
Energy: 0.5314585405537946
Energy: 0.5314559774644447
Energy: 0.5070345004280974
Energy: 0.4748629793623969
Energy: 0.47486719055712606
Energy: 0.503485826132209
Energy: 0.5423778010890261
Energy: 0.542377911376642
Energy: 0.47533824173087397
Energy: 0.5255620929701414
Energy: 0.5255607735234271
Energy: 0.47466675118456814
Energy: 0.5837594767043793
Energy: 0.5837586956285036
Energy: 0.4753393878224598
Energy: 0.480288761959283
Energy: 0.48028807463984236
Energy: 0.5495823871934546
Energy: 0.4882229916489508
Energy: 0.4882322857399254
Energy: 0.48051233935631277
Energy: 0.47661866138633924
Energy: 0.4766191269339237
Energy: 0.46990058048235783
Energy: 0.6346089408430103
Energy: 0.6346051310769483
   minimum gb energy = 0.4698991753708395 eV
   minimum distance = 2.49139188299096 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 0.5061528838927953
Energy: 0.48525719422544605
Energy: 0.48525719301724873
Energy: 0.5890560791390994
Energy: 0.49721004095363813
Energy: 0.49721031365738566
Energy: 0.467449179405563
Energy: 0.678594248257608
Energy: 0.6785923179256155
Energy: 0.5133540498964129
Energy: 0.461349727393139
Energy: 0.4613616302672501
Energy: 0.46030087022520066
Energy: 0.6376390996161238
Energy: 0.6376383597986152
Energy: 0.5815281849476055
Energy: 0.5022974263772241
Energy: 0.5022988674931548
Energy: 0.46972726211627386
Energy: 0.5796101221267272
Energy: 0.579610264427626
Energy: 0.601707026104671
Energy: 0.5177875135349396
Energy: 0.5177899833100894
Energy: 0.46687802115299654
Energy: 0.5551204698743968
Energy: 0.5551204388327905
Energy: 0.5903927124248267
Energy: 0.5179433396446478
Energy: 0.5179431239841659
   minimum gb energy = 0.46030087022520066 eV
   minimum distance = 2.49208849587665 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.4995651814124245
Energy: 0.4782332010611566
Energy: 0.4782420722819766
Energy: 0.4614314028322009
Energy: 0.5744635293549148
Energy: 0.5744634969638054
Energy: 0.46612828935524964
Energy: 0.5300115584284562
Energy: 0.5300111355266093
Energy: 0.501810520927194
Energy: 0.47266197167241264
Energy: 0.47265948757286846
Energy: 0.4610271743798661
Energy: 0.46297364644618305
Energy: 0.4629736338990213
Energy: 0.46681163567157746
Energy: 0.6142691515037281
Energy: 0.6142691530610126
Energy: 0.46443424570067876
Energy: 0.5135394623249169
Energy: 0.5135399095696679
Energy: 0.4596528521101269
Energy: 0.5936651006496355
Energy: 0.5936648490470701
Energy: 0.4980907738153174
Energy: 0.4929956193747804
Energy: 0.4929953352247685
Energy: 0.5498451647020539
Energy: 0.5122647943727162
Energy: 0.5122644106708241
   minimum gb energy = 0.4596528521101269 eV
   minimum distance = 2.5096118436644 Angstroms
   sigma value = 69

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

Energy: 0.5224277815149807
Energy: 0.4457927904410134
Energy: 0.4457928756945047
Energy: 0.4502639903591866
Energy: 0.501014925560516
Energy: 0.5010146808206403
Energy: 0.49981476303722777
Energy: 0.4652759668824764
Energy: 0.4652759648106531
Energy: 0.43449285328298803
Energy: 0.519408125645154
Energy: 0.519408124993259
Energy: 0.45088441622013714
Energy: 0.538225912657822
Energy: 0.538225771936705
Energy: 0.6110414998890656
Energy: 0.4502640579106128
Energy: 0.45026398264041745
Energy: 0.4502640163334745
Energy: 0.4634799730579807
Energy: 0.4634778467736536
Energy: 0.5224277820561914
Energy: 0.5059004514240402
Energy: 0.5059011709276916
Energy: 0.5224277821600397
Energy: 0.4457929460666771
Energy: 0.44579294061927105
Energy: 0.45026429095891585
Energy: 0.4652759645496184
Energy: 0.46527596425990275
   minimum gb energy = 0.43449285328298803 eV
   minimum distance = 2.59295165182333 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 0.5192657953996768
Energy: 0.4529660214586954
Energy: 0.45296052513039203
Energy: 0.4384358918618628
Energy: 0.5802309021286688
Energy: 0.5802345415814322
Energy: 0.4435316561831238
Energy: 0.5083031525983022
Energy: 0.5083041604437293
Energy: 0.44101908671331636
Energy: 0.5440534712285267
Energy: 0.5440592927070367
Energy: 0.43624255528032524
Energy: 0.4438932112189536
Energy: 0.44389642941425844
Energy: 0.43428998126987944
Energy: 0.5770321589461452
Energy: 0.5770305729286092
Energy: 0.4326961693276153
Energy: 0.4770905035478971
Energy: 0.47709087526070176
Energy: 0.5834717615914037
Energy: 0.480951220886035
Energy: 0.480952605552374
Energy: 0.5273768178363486
Energy: 0.5136617617233908
Energy: 0.5136623839689936
Energy: 0.5541476041516646
Energy: 0.47451267338632974
Energy: 0.4745123885914216
   minimum gb energy = 0.4326961693276153 eV
   minimum distance = 2.52381688260345 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.45552603429918764
Energy: 0.44865539241180585
Energy: 0.4486471449924717
Energy: 0.4433688011710446
Energy: 0.4425173250975802
Energy: 0.44251561601116224
Energy: 0.43351787803758257
Energy: 0.43591588723837293
Energy: 0.43591685059869595
Energy: 0.4256456661302559
Energy: 0.5267778856586067
Energy: 0.5267638381802104
Energy: 0.5514424673535582
Energy: 0.43062840435930166
Energy: 0.4306352814114728
Energy: 0.43351623481955526
Energy: 0.6097018224773363
Energy: 0.6097023467730143
Energy: 0.43149590086849804
Energy: 0.5248970865865583
Energy: 0.52489699916963
Energy: 0.5756987300398588
Energy: 0.434622675969412
Energy: 0.43461838458042473
Energy: 0.43656436693560724
Energy: 0.480789216742095
Energy: 0.48078948140724653
Energy: 0.42786997565033047
Energy: 0.5267987749832734
Energy: 0.5268011105434478
   minimum gb energy = 0.4256456661302559 eV
   minimum distance = 2.50887608933647 Angstroms
   sigma value = 37

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

Energy: 0.4438706581570669
Energy: 0.4282473442045543
Energy: 0.42824734420741967
Energy: 0.4229964048043291
Energy: 0.49429973806491806
Energy: 0.49429974965855716
Energy: 0.42612686086874274
Energy: 0.4319898915978746
Energy: 0.4319899085071568
Energy: 0.4282473449222882
Energy: 0.43507820233801536
Energy: 0.4350776742778003
Energy: 0.5007922779680432
Energy: 0.501706397401773
Energy: 0.5017037529053905
Energy: 0.42299834135204933
Energy: 0.43198994842494826
Energy: 0.4319921161663222
Energy: 0.43150200208221196
Energy: 0.4604356265944997
Energy: 0.460435652209867
Energy: 0.569065760774823
Energy: 0.5017060823474285
Energy: 0.5017101817000642
Energy: 0.426341942044716
Energy: 0.4261771987449318
Energy: 0.4261824810771037
Energy: 0.43149521959960774
Energy: 0.5769438422031031
Energy: 0.5769425816511353
   minimum gb energy = 0.4229964048043291 eV
   minimum distance = 2.52320709271731 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 0.512807462216852
Energy: 0.4241363851455349
Energy: 0.4241394110164438
Energy: 0.41651182017520905
Energy: 0.42532337735681736
Energy: 0.42532326400199405
Energy: 0.4160810434628411
Energy: 0.5820914319246366
Energy: 0.5820912854669099
Energy: 0.41756964689249826
Energy: 0.4242024233819133
Energy: 0.42419903777429374
Energy: 0.41341575400945507
Energy: 0.4633944000117698
Energy: 0.4633989746257821
Energy: 0.5050292205345529
Energy: 0.5136807433101886
Energy: 0.5136805498701004
Energy: 0.42030253211457325
Energy: 0.5731153467541019
Energy: 0.5731167488014567
Energy: 0.5940623899931455
Energy: 0.41932838459596095
Energy: 0.41933153586083194
Energy: 0.42282796850396337
Energy: 0.5923059722809296
Energy: 0.5923048271641979
Energy: 0.4160808453341806
Energy: 0.4969603384794578
Energy: 0.49696205203240484
   minimum gb energy = 0.41341575400945507 eV
   minimum distance = 2.56622470620352 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.49454406428468756
Energy: 0.49428993764126683
Energy: 0.49428911243807117
Energy: 0.41996822830858277
Energy: 0.48872831647044224
Energy: 0.4887186286555684
Energy: 0.4842194425704425
Energy: 0.5191339758828312
Energy: 0.5191248332260975
Energy: 0.4236180135463147
Energy: 0.5130798989476485
Energy: 0.513078905212792
Energy: 0.4834570227891627
Energy: 0.4489749953311254
Energy: 0.44897372109373984
Energy: 0.41958877450650955
Energy: 0.60124447617978
Energy: 0.6012441682711569
Energy: 0.4194999491041874
Energy: 0.5454795401526915
Energy: 0.545476447092465
Energy: 0.5951210506223981
Energy: 0.4545897836518546
Energy: 0.4545828750407557
Energy: 0.4221529031794923
Energy: 0.6028545109935637
Energy: 0.6028580713601711
Energy: 0.48422574563990584
Energy: 0.5191191217596435
Energy: 0.5191117145981404
   minimum gb energy = 0.4194999491041874 eV
   minimum distance = 2.49181320122767 Angstroms
   sigma value = 173

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

Energy: 0.40898922605397686
Energy: 0.6356201055785113
Energy: 0.6356202235402831
Energy: 0.388118598803762
Energy: 0.6607378264285655
Energy: 0.6607366846438447
Energy: 0.39321076645436126
Energy: 0.5254613342447236
Energy: 0.5254614924255622
Energy: 0.39321078784157387
Energy: 0.6195603950473442
Energy: 0.6195624844762446
Energy: 0.39321076814940387
Energy: 0.6290995917881728
Energy: 0.6290995888454771
Energy: 0.393210803111813
Energy: 0.5354235027389943
Energy: 0.5354229997659641
Energy: 0.3881185988086916
Energy: 0.5354230447685974
Energy: 0.5354231344979148
Energy: 0.40898993843386583
Energy: 0.5354230409350218
Energy: 0.5354230877617876
Energy: 0.3881185988165791
Energy: 0.6420492288318714
Energy: 0.6421575482087902
Energy: 0.39321081260706275
Energy: 0.5149940684328915
Energy: 0.514994157046626
   minimum gb energy = 0.388118598803762 eV
   minimum distance = 2.53330530159685 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.4779128304609355
Energy: 0.6304211102169132
Energy: 0.6304211083764325
Energy: 0.3942285957244028
Energy: 0.5740151033620956
Energy: 0.5740151539830289
Energy: 0.5366083962141861
Energy: 0.4342041864745507
Energy: 0.4342034406153994
Energy: 0.3891461025409333
Energy: 0.4984770668140635
Energy: 0.4984700715211216
Energy: 0.3991078102930018
Energy: 0.5360769598632227
Energy: 0.5360748794710901
Energy: 0.408290026992367
Energy: 0.4926696523222236
Energy: 0.4926683925899644
Energy: 0.3915701661225619
Energy: 0.4700357834924199
Energy: 0.4700299337501913
Energy: 0.60435416642899
Energy: 0.4300635483471716
Energy: 0.4300627739729911
Energy: 0.39344180933144
Energy: 0.5693800997983833
Energy: 0.5693837442570786
Energy: 0.39468785030938813
Energy: 0.5978988617865433
Energy: 0.597898863458761
   minimum gb energy = 0.3891461025409333 eV
   minimum distance = 2.56319886844736 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 0.4923858296706099
Energy: 0.6166259276102267
Energy: 0.6166259298652796
Energy: 0.38161589813516844
Energy: 0.4954842002526803
Energy: 0.4954842607134492
Energy: 0.4669843206573525
Energy: 0.4812964859662243
Energy: 0.4812946334483798
Energy: 0.3918352019507042
Energy: 0.5340341064233173
Energy: 0.5340339508842761
Energy: 0.39183801546102376
Energy: 0.6112165632434475
Energy: 0.6112157455384801
Energy: 0.38429636866208516
Energy: 0.5434387054504403
Energy: 0.54343849816703
Energy: 0.5162700642334951
Energy: 0.38233939898403296
Energy: 0.3823379891740917
Energy: 0.4920888454009919
Energy: 0.5340317990303463
Energy: 0.5340310526465233
Energy: 0.3816172621629476
Energy: 0.4487123021315454
Energy: 0.44871278847545365
Energy: 0.384296337001021
Energy: 0.585108475233984
Energy: 0.5851096053645628
   minimum gb energy = 0.38161589813516844 eV
   minimum distance = 2.52429208462138 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 0.5159329928095723
Energy: 0.6115953154105666
Energy: 0.6115880534590774
Energy: 0.43397557179078744
Energy: 0.45129284388684504
Energy: 0.45128955967121276
Energy: 0.38824999674304617
Energy: 0.6169857144510082
Energy: 0.6169857429154765
Energy: 0.5191279819838517
Energy: 0.38313695693167205
Energy: 0.38313843314923307
Energy: 0.3862890564861762
Energy: 0.6055595136683072
Energy: 0.6137572533440795
Energy: 0.5623868732338883
Energy: 0.4153841883201415
Energy: 0.41538576209337963
Energy: 0.3850660736552721
Energy: 0.5908680306481497
Energy: 0.5908679851607992
Energy: 0.5760849253913608
Energy: 0.41538758172211865
Energy: 0.41538622950284254
Energy: 0.38506407998495357
Energy: 0.5941555945743361
Energy: 0.5941545727100539
Energy: 0.44320122534602585
Energy: 0.4147985368004933
Energy: 0.41479653036959496
   minimum gb energy = 0.38313695693167205 eV
   minimum distance = 2.52443573136983 Angstroms
   sigma value = 79

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

Energy: 0.3928570698989276
Energy: 0.5788156357448291
Energy: 0.5788150657871244
Energy: 0.3685572754862999
Energy: 0.5390039041385997
Energy: 0.5390059274316615
Energy: 0.46812979367053364
Energy: 0.37114586896654367
Energy: 0.371146437662968
Energy: 0.3711472311734771
Energy: 0.5469476907308742
Energy: 0.546948412323039
Energy: 0.3711458750867028
Energy: 0.5750240164375181
Energy: 0.5750240182913292
Energy: 0.36126810147121635
Energy: 0.5325860034708829
Energy: 0.5325855314228117
Energy: 0.3685572754463009
Energy: 0.37114629924920367
Energy: 0.3711488389837123
Energy: 0.3928573713840614
Energy: 0.584187732763212
Energy: 0.5841908502447282
Energy: 0.3685572754224345
Energy: 0.5661352574937492
Energy: 0.5661360413180305
Energy: 0.35878953303594835
Energy: 0.4500229694321028
Energy: 0.45002264861836216
   minimum gb energy = 0.35878953303594835 eV
   minimum distance = 2.52815920011196 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.4523956924860444
Energy: 0.5701083438939132
Energy: 0.5701082570368851
Energy: 0.3501501172651074
Energy: 0.5824612832421028
Energy: 0.5824633841543785
Energy: 0.35250841707004904
Energy: 0.44123782430364555
Energy: 0.44123948545537595
Energy: 0.5221585767572647
Energy: 0.4023254611905988
Energy: 0.40232534856261976
Energy: 0.4327584226271843
Energy: 0.5399305403499892
Energy: 0.5399298903533183
Energy: 0.36145022701373597
Energy: 0.5689112033865386
Energy: 0.5689111281767631
Energy: 0.359673367383116
Energy: 0.570904028913413
Energy: 0.5709049825248997
Energy: 0.5134707987870151
Energy: 0.5084254686031382
Energy: 0.5084273709703069
Energy: 0.396775033903853
Energy: 0.3551303768329043
Energy: 0.35513048143906395
Energy: 0.3499700687765274
Energy: 0.5068317684970589
Energy: 0.5068343127253125
   minimum gb energy = 0.3499700687765274 eV
   minimum distance = 2.52334606662229 Angstroms
   sigma value = 101

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

Energy: 0.48093154623878087
Energy: 0.5430839724170096
Energy: 0.5430831390807463
Energy: 0.42342570374084293
Energy: 0.34509011053051075
Energy: 0.345090159561426
Energy: 0.340325049636469
Energy: 0.4569591268213056
Energy: 0.45695917618533977
Energy: 0.33831551517165115
Energy: 0.35257750223507545
Energy: 0.35257789260796873
Energy: 0.3403250485506693
Energy: 0.5478917369059314
Energy: 0.5478917607040688
Energy: 0.3403250477544946
Energy: 0.416174663917468
Energy: 0.41617466886057336
Energy: 0.3389046856991359
Energy: 0.5261199588519457
Energy: 0.5261201060651607
Energy: 0.4805213330967829
Energy: 0.5209699008432392
Energy: 0.5209701869999073
Energy: 0.4725549492511717
Energy: 0.41617437254516887
Energy: 0.4161746657578132
Energy: 0.34032504761506155
Energy: 0.5644237049403059
Energy: 0.5644237057503666
   minimum gb energy = 0.33831551517165115 eV
   minimum distance = 2.58879174245686 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.46937192587919285
Energy: 0.5319089222014131
Energy: 0.5319040523580508
Energy: 0.38634325871263575
Energy: 0.4039348786541406
Energy: 0.4039322440994285
Energy: 0.3292089422972595
Energy: 0.5236244447702688
Energy: 0.5236245303537188
Energy: 0.33874970182165104
Energy: 0.5044505292932221
Energy: 0.5044504744709783
Energy: 0.523165555103391
Energy: 0.3646656875043944
Energy: 0.3646656858964655
Energy: 0.33346438896542646
Energy: 0.5413137996247251
Energy: 0.541313579882951
Energy: 0.3251845617968213
Energy: 0.4630713300563857
Energy: 0.4630700724380603
Energy: 0.5231916419195408
Energy: 0.45982106515179083
Energy: 0.4598213192031096
Energy: 0.33263077711122935
Energy: 0.5293116752501748
Energy: 0.5293165692772348
Energy: 0.3244588834786033
Energy: 0.46203418480812053
Energy: 0.462035988625077
   minimum gb energy = 0.3244588834786033 eV
   minimum distance = 2.52653813597974 Angstroms
   sigma value = 145

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

Energy: 0.4433035939108356
Energy: 0.5084520451082442
Energy: 0.5084521098628856
Energy: 0.3241534942518248
Energy: 0.5283179906253669
Energy: 0.5283179924425108
Energy: 0.3165710626085729
Energy: 0.43437981181427154
Energy: 0.43437906546263133
Energy: 0.3724602409138441
Energy: 0.4333800952057098
Energy: 0.4333799171611419
Energy: 0.31657106263370366
Energy: 0.43315364674024265
Energy: 0.4331530108165381
Energy: 0.31657106353000186
Energy: 0.44944201188590693
Energy: 0.4494421011096501
Energy: 0.32415326575639536
Energy: 0.5728306093087201
Energy: 0.5728306887369579
Energy: 0.44307829826010686
Energy: 0.521146820546682
Energy: 0.5211472494238951
Energy: 0.39374872671967
Energy: 0.4377031642757725
Energy: 0.4377030531306136
Energy: 0.4356918974934321
Energy: 0.3156997640711277
Energy: 0.3157001094518355
   minimum gb energy = 0.3156997640711277 eV
   minimum distance = 2.59427241155229 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.48296209011310687
Energy: 0.4990976401158074
Energy: 0.49909758842178714
Energy: 0.30972687643344105
Energy: 0.5331884997141344
Energy: 0.5331886858787322
Energy: 0.3102524448815643
Energy: 0.4955071444723466
Energy: 0.49550718560120943
Energy: 0.36778817527545626
Energy: 0.5036311578705503
Energy: 0.503631529487244
Energy: 0.36778816986375673
Energy: 0.4989767136283007
Energy: 0.498976427203509
Energy: 0.3084535673418028
Energy: 0.4008466392402383
Energy: 0.4008466037638871
Energy: 0.3068298768502888
Energy: 0.37466447472662534
Energy: 0.3746640170864086
Energy: 0.5276526891504849
Energy: 0.3961108754259365
Energy: 0.3961107160591565
Energy: 0.38083320866423975
Energy: 0.4198539155975316
Energy: 0.419853950550084
Energy: 0.3059678741379032
Energy: 0.4769651582397957
Energy: 0.47696499405460857
   minimum gb energy = 0.3059678741379032 eV
   minimum distance = 2.50345285266461 Angstroms
   sigma value = 197

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

Energy: 0.44801112272908133
Energy: 0.4856813892466469
Energy: 0.48568130219793526
Energy: 0.3403292886735275
Energy: 0.4797628252175129
Energy: 0.4797618517128575
Energy: 0.3126003955762073
Energy: 0.4648485590734261
Energy: 0.46484905628084666
Energy: 0.28824116112988857
Energy: 0.4060600092935642
Energy: 0.40605918572348965
Energy: 0.3604052842752881
Energy: 0.42953578784935875
Energy: 0.4295355439667814
Energy: 0.31260010394458937
Energy: 0.3570803076894251
Energy: 0.3570799432318432
Energy: 0.41739869175882605
Energy: 0.48621218945424866
Energy: 0.4862121893722082
Energy: 0.44752913398085903
Energy: 0.410333368412174
Energy: 0.41033304487987476
Energy: 0.34032829413493
Energy: 0.4736543300845409
Energy: 0.47365375416002925
Energy: 0.3025220256540567
Energy: 0.4797620587543857
Energy: 0.47976205184070375
   minimum gb energy = 0.28824116112988857 eV
   minimum distance = 2.61598498377672 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.4298628101315912
Energy: 0.4568184984419454
Energy: 0.4568190559066122
Energy: 0.44802277524196893
Energy: 0.3277692263530302
Energy: 0.32776916381594073
Energy: 0.278109970919253
Energy: 0.3853756249957463
Energy: 0.3853759748832441
Energy: 0.2781101201258802
Energy: 0.45795958474035126
Energy: 0.4579612057562955
Energy: 0.27074575017803976
Energy: 0.3797796898031109
Energy: 0.37977968767852627
Energy: 0.2843950067025128
Energy: 0.461479763762885
Energy: 0.4614797637530597
Energy: 0.41527404072403495
Energy: 0.37304465884653437
Energy: 0.37304504239846376
Energy: 0.4645896590619664
Energy: 0.46779383001904246
Energy: 0.4677938277545035
Energy: 0.366957586181543
Energy: 0.4629757561506749
Energy: 0.46297577869989603
Energy: 0.3304405267063804
Energy: 0.3680773052192896
Energy: 0.36807787987712065
   minimum gb energy = 0.27074575017803976 eV
   minimum distance = 2.53268903320342 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.43810643383044157
Energy: 0.4336828673171896
Energy: 0.4336825330240428
Energy: 0.3904730360980735
Energy: 0.42522437238630917
Energy: 0.42522441229104097
Energy: 0.26093480909120764
Energy: 0.31520588177288217
Energy: 0.3152052741470241
Energy: 0.27001400500180567
Energy: 0.4304994891417216
Energy: 0.4304994720928435
Energy: 0.2614883029872254
Energy: 0.4371655786310266
Energy: 0.43716533129408025
Energy: 0.3102930230901071
Energy: 0.35069141416760896
Energy: 0.3506898762388623
Energy: 0.2809982507956241
Energy: 0.43977501559118826
Energy: 0.43977501806964664
Energy: 0.4371221753550544
Energy: 0.438305250894549
Energy: 0.4383064076756805
Energy: 0.44792583474826686
Energy: 0.3047212138125277
Energy: 0.30472238097044646
Energy: 0.2700146478567888
Energy: 0.4449145769372347
Energy: 0.44491551125830764
   minimum gb energy = 0.26093480909120764 eV
   minimum distance = 2.62796407276624 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.43389816070005255
Energy: 0.41839418351749147
Energy: 0.41839379020067324
Energy: 0.34535468054452373
Energy: 0.4643112048000703
Energy: 0.46431095530942007
Energy: 0.25621641955315255
Energy: 0.44848036544935665
Energy: 0.44848105362184737
Energy: 0.2541679020047221
Energy: 0.41634741739059145
Energy: 0.4163480398555351
Energy: 0.2541680557902266
Energy: 0.41389449731009326
Energy: 0.4138943080532754
Energy: 0.2562166155428499
Energy: 0.4229203361925836
Energy: 0.4229205425337254
Energy: 0.3453532432613808
Energy: 0.41389447689259556
Energy: 0.41389430232534014
Energy: 0.4550482824421682
Energy: 0.40477067108022036
Energy: 0.4047714924729125
Energy: 0.3453535622298977
Energy: 0.4173064901515979
Energy: 0.41730650489882953
Energy: 0.26519568692415685
Energy: 0.3555663163582852
Energy: 0.3555664957598602
   minimum gb energy = 0.2541679020047221 eV
   minimum distance = 2.5567406925088 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.4122265062193381
Energy: 0.40198205118036645
Energy: 0.40198133056660357
Energy: 0.33119813397924797
Energy: 0.3888888440078945
Energy: 0.3888885641012937
Energy: 0.3968874098031567
Energy: 0.2640039122968111
Energy: 0.2640047296683222
Energy: 0.236196865087979
Energy: 0.39877094321598267
Energy: 0.3987709443625677
Energy: 0.24788259367116522
Energy: 0.4027548619342006
Energy: 0.4027546978376718
Energy: 0.2427086400293343
Energy: 0.39087809638819065
Energy: 0.39087847567207445
Energy: 0.5703054675174124
Energy: 0.24403954519771168
Energy: 0.24403947122451794
Energy: 0.45270632802758215
Energy: 0.39987076707852953
Energy: 0.3998707936597618
Energy: 0.33132380130592537
Energy: 0.42991947315608064
Energy: 0.42991923753972355
Energy: 0.25712660662676956
Energy: 0.3980608449555865
Energy: 0.39806095776087286
   minimum gb energy = 0.236196865087979 eV
   minimum distance = 2.62027397148148 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.4198870863607257
Energy: 0.3808511554564812
Energy: 0.3808510570496212
Energy: 0.43164328294132814
Energy: 0.2921998027188693
Energy: 0.2921998142068358
Energy: 0.2355070653671612
Energy: 0.37704145993647115
Energy: 0.37704370362087203
Energy: 0.2239515227379475
Energy: 0.3314113371563909
Energy: 0.33141282893386387
Energy: 0.2355073950116681
Energy: 0.3822585810819665
Energy: 0.3822586227805029
Energy: 0.22993830210114
Energy: 0.36348252467793996
Energy: 0.36348184907307246
Energy: 0.295236747524413
Energy: 0.3890013716093454
Energy: 0.3890013717274385
Energy: 0.41749404646836785
Energy: 0.37497992005942327
Energy: 0.37497994277277497
Energy: 0.3544803509412194
Energy: 0.38209313472565853
Energy: 0.3820928414864195
Energy: 0.23248044411573318
Energy: 0.38281898024817795
Energy: 0.3828185132442066
   minimum gb energy = 0.2239515227379475 eV
   minimum distance = 2.61540517089402 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.4015357869220563
Energy: 0.3677782961066991
Energy: 0.3677819173901188
Energy: 0.2858765991466332
Energy: 0.3681775238782899
Energy: 0.3681774411837207
Energy: 0.25809121972364857
Energy: 0.3546617662257128
Energy: 0.35466176194817856
Energy: 0.21506752892915537
Energy: 0.3492694637428584
Energy: 0.34926944206220556
Energy: 0.22086967722668407
Energy: 0.3696671535634957
Energy: 0.36966715378296233
Energy: 0.22512971758411807
Energy: 0.4039451558243518
Energy: 0.4039416282835187
Energy: 0.28587664889653713
Energy: 0.36256858326799846
Energy: 0.36256450282552655
Energy: 0.4355445754770072
Energy: 0.35395137513159763
Energy: 0.3539516998288481
Energy: 0.4110025535536288
Energy: 0.2777223540562955
Energy: 0.2777224082418359
Energy: 0.2721722782264389
Energy: 0.34285782848096874
Energy: 0.34285724935185297
   minimum gb energy = 0.21506752892915537 eV
   minimum distance = 2.57766018127532 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.3853251151949268
Energy: 0.35404269084701256
Energy: 0.35404292433569645
Energy: 0.27755637786813186
Energy: 0.3534271274001112
Energy: 0.3534282624808527
Energy: 0.21614082019263678
Energy: 0.3542286117200969
Energy: 0.3542278638219606
Energy: 0.2128415146665774
Energy: 0.3487525150657413
Energy: 0.34875267881232624
Energy: 0.21034231178762983
Energy: 0.33812895284900935
Energy: 0.3381295317316784
Energy: 0.4381170362203318
Energy: 0.26735312622381496
Energy: 0.2673530625071025
Energy: 0.3614491619865265
Energy: 0.24887604617962847
Energy: 0.248876049656979
Energy: 0.4171270118819453
Energy: 0.3498678360348482
Energy: 0.3498677880239621
Energy: 0.32314427176240423
Energy: 0.3621038168163901
Energy: 0.3621041734782159
Energy: 0.22070170449296625
Energy: 0.38624720167069837
Energy: 0.3862479172758316
   minimum gb energy = 0.21034231178762983 eV
   minimum distance = 2.62988414418763 Angstroms
   sigma value = 105

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

Energy: 0.011786878961737827
Energy: 0.011786878966610025
Energy: 0.011786878966253522
Energy: 0.011786878964173927
Energy: 0.18387618101795153
Energy: 0.18387618101515893
Energy: 0.011786878968709426
Energy: 0.18387618101133646
Energy: 0.18387618101272285
Energy: 0.011786878964173927
Energy: 0.7556710630501317
Energy: 0.7556710630508249
Energy: 0.011786878966966527
Energy: 0.7556710630428035
Energy: 0.7556710630442097
Energy: 0.011786878964867126
Energy: 0.18387618101377257
Energy: 0.18387618101864472
Energy: 0.011786878966610025
Energy: 0.18387618102179387
Energy: 0.18387618101795153
Energy: 0.011786878965560323
Energy: 0.01178687897078902
Energy: 0.011786878965223626
Energy: 0.011786878965916825
Energy: 0.18387618101725833
Energy: 0.18387618101761485
Energy: 0.011786878963817424
Energy: 0.18387618102005096
Energy: 0.18387618101169298
   minimum gb energy = 0.011786878961737827 eV
   minimum distance = 2.83220842664925 Angstroms
   sigma value = 1