model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
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=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010418262387774792
Energy: 0.010418262393180593
Energy: 0.010418262388755121
Energy: 0.010418262388755121
Energy: 0.010418262390239613
Energy: 0.010418262387774792
Energy: 0.010418262388755121
Energy: 0.010418262389735446
Energy: 0.010418262390239613
Energy: 0.010418262388755121
Energy: 0.010418262389735446
Energy: 0.010418262390715773
Energy: 0.010418262390715773
Energy: 0.010418262389231277
Energy: 0.010418262389231277
Energy: 0.14737056244034388
Energy: 0.010418262390715773
Energy: 0.010418262390239613
Energy: 0.010418262389735446
Energy: 0.010418262389735446
Energy: 0.010418262389231277
Energy: 0.010418262389735446
Energy: 0.010418262388250952
Energy: 0.010418262395645413
Energy: 0.010418262387774792
Energy: 0.010418262389231277
Energy: 0.010418262389231277
Energy: 0.010418262389231277
Energy: 0.010418262389735446
Energy: 0.010418262390239613
   minimum gb energy = 0.010418262387774792 eV
   minimum distance = 2.85101463113799 Angstroms
   sigma value = 1

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

Energy: 0.4341749580783939
Energy: 0.39666158595589657
Energy: 0.3966616565187006
Energy: 0.39242006117378203
Energy: 0.39666197804463627
Energy: 0.396662498568441
Energy: 0.39034205720996146
Energy: 0.44633908883305834
Energy: 0.4463393901723173
Energy: 0.40341201303009616
Energy: 0.3834295745799376
Energy: 0.38342962729800306
Energy: 0.40754397311559026
Energy: 0.39703677832481876
Energy: 0.39703692111718836
Energy: 0.37329734088621375
Energy: 0.40663539480224764
Energy: 0.40663549975330315
Energy: 0.3908359427924609
Energy: 0.397036800151964
Energy: 0.3970365484261622
Energy: 0.4048457894624675
Energy: 0.43178912006074266
Energy: 0.43178911437493767
Energy: 0.3992144642061378
Energy: 0.46113104103965413
Energy: 0.46113107584122737
Energy: 0.42800362790409147
Energy: 0.4140363981379378
Energy: 0.41403641076820424
   minimum gb energy = 0.37329734088621375 eV
   minimum distance = 2.59141983574997 Angstroms
   sigma value = 113

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

Energy: 0.44723258343032163
Energy: 0.41338902218053253
Energy: 0.4133891368795469
Energy: 0.3803688577326445
Energy: 0.41580292241699035
Energy: 0.4158027000809902
Energy: 0.3995308654743039
Energy: 0.413845968812223
Energy: 0.41384585841233035
Energy: 0.39714311817257975
Energy: 0.41625931835493446
Energy: 0.416259375374101
Energy: 0.39014452491496077
Energy: 0.4133900460939222
Energy: 0.4133900385818182
Energy: 0.4367615107703852
Energy: 0.416259516339569
Energy: 0.416259861295702
Energy: 0.38597358477797616
Energy: 0.4138458703721231
Energy: 0.41384594859219054
Energy: 0.3963667842712436
Energy: 0.41625932459337844
Energy: 0.416259318743578
Energy: 0.39646422088550287
Energy: 0.41384589334941096
Energy: 0.41384666567770256
Energy: 0.38939900678456485
Energy: 0.42706466300624846
Energy: 0.4270646682971902
   minimum gb energy = 0.3803688577326445 eV
   minimum distance = 2.63418351421626 Angstroms
   sigma value = 197

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

Energy: 0.4610662748255862
Energy: 0.4214609270481095
Energy: 0.42146098088975187
Energy: 0.4120668060651742
Energy: 0.42146138752044476
Energy: 0.4214617561446396
Energy: 0.4328051857047017
Energy: 0.410507405446084
Energy: 0.41050779279994815
Energy: 0.4106748812122283
Energy: 0.5083125972400343
Energy: 0.5083126287652066
Energy: 0.4210542045310309
Energy: 0.42878519512214536
Energy: 0.42878527659831545
Energy: 0.3959396226255269
Energy: 0.43302166296079064
Energy: 0.43302181847266896
Energy: 0.4111976121378688
Energy: 0.41584756805517736
Energy: 0.41584748273861377
Energy: 0.421061718305643
Energy: 0.5147831301792006
Energy: 0.514782881813885
Energy: 0.4640134693246145
Energy: 0.4158474894288836
Energy: 0.4158474983666699
Energy: 0.40693653936962165
Energy: 0.4330226340817296
Energy: 0.43302164028720086
   minimum gb energy = 0.3959396226255269 eV
   minimum distance = 2.6346034601541 Angstroms
   sigma value = 169

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

Energy: 0.47594239875681166
Energy: 0.4407657226815372
Energy: 0.4407657529580452
Energy: 0.4267459986756713
Energy: 0.48807554246671814
Energy: 0.4880757428066098
Energy: 0.45989681973022734
Energy: 0.43689364770840605
Energy: 0.4368937399156762
Energy: 0.4253077009641068
Energy: 0.44234233545632
Energy: 0.44234237058105597
Energy: 0.44010744027267956
Energy: 0.49591997692858775
Energy: 0.4959240140708502
Energy: 0.4624372933254078
Energy: 0.4455521696062101
Energy: 0.4455522112945505
Energy: 0.44011357427124015
Energy: 0.5338857205203014
Energy: 0.533885852823295
Energy: 0.41916590478962323
Energy: 0.44148165013277196
Energy: 0.4414816535622968
Energy: 0.4362310123004643
Energy: 0.4335610576747437
Energy: 0.43356040855454014
Energy: 0.43305222934206344
Energy: 0.45996669822052827
Energy: 0.45996646052084783
   minimum gb energy = 0.41916590478962323 eV
   minimum distance = 2.59313092100561 Angstroms
   sigma value = 145

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

Energy: 0.49155484420847473
Energy: 0.4637734785418204
Energy: 0.4637734418523615
Energy: 0.4622729538349301
Energy: 0.5024610772455469
Energy: 0.5024610795457004
Energy: 0.44641502434803987
Energy: 0.45179075040707606
Energy: 0.45179142407331396
Energy: 0.4434831936718305
Energy: 0.5221988523170422
Energy: 0.5221971130491768
Energy: 0.4993628418888515
Energy: 0.4680710614380429
Energy: 0.4680690820351209
Energy: 0.42240739664137195
Energy: 0.46376537538198187
Energy: 0.4637654309905695
Energy: 0.4566266752742253
Energy: 0.45045936342296117
Energy: 0.4504599094583099
Energy: 0.45662651153334827
Energy: 0.48963086810547946
Energy: 0.489629760734081
Energy: 0.43364843052720237
Energy: 0.450843704636862
Energy: 0.4508436915055866
Energy: 0.45662650673453536
Energy: 0.4493380836110052
Energy: 0.44933808307433915
   minimum gb energy = 0.42240739664137195 eV
   minimum distance = 2.58366245637275 Angstroms
   sigma value = 61

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

Energy: 0.5230499491702113
Energy: 0.4804795089021483
Energy: 0.4804847149059245
Energy: 0.4553276390391469
Energy: 0.4734822593545073
Energy: 0.473482158728317
Energy: 0.46609541135194593
Energy: 0.5330842383749451
Energy: 0.5330842572014798
Energy: 0.45051815101849535
Energy: 0.5163091511065707
Energy: 0.5163091630541977
Energy: 0.4726587065237029
Energy: 0.4877220844750631
Energy: 0.48772186501685333
Energy: 0.472658550144053
Energy: 0.49488786408026253
Energy: 0.4948874483839441
Energy: 0.46311595122607147
Energy: 0.49555713255952993
Energy: 0.4955569139662142
Energy: 0.4678597315324856
Energy: 0.4874154577949449
Energy: 0.4874152989637772
Energy: 0.4660953731031652
Energy: 0.5615043413009448
Energy: 0.5615045795268495
Energy: 0.48766255628329364
Energy: 0.48047985434976553
Energy: 0.48047903835059724
   minimum gb energy = 0.45051815101849535 eV
   minimum distance = 2.59614715538365 Angstroms
   sigma value = 101

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

Energy: 0.5035105429386943
Energy: 0.4958893574107187
Energy: 0.4958893499444897
Energy: 0.48720357337507064
Energy: 0.49674415707713376
Energy: 0.4967441349145624
Energy: 0.4613440971577422
Energy: 0.49674449219983363
Energy: 0.4967441913283805
Energy: 0.45389073679262515
Energy: 0.4967440372686644
Energy: 0.49674404413087053
Energy: 0.4674640742596372
Energy: 0.495865249382437
Energy: 0.49586531785286103
Energy: 0.4606314654640384
Energy: 0.49586527142415426
Energy: 0.4958652739756504
Energy: 0.5027371846223261
Energy: 0.4967440340658331
Energy: 0.4967441884433232
Energy: 0.4644016995461892
Energy: 0.49674405441796865
Energy: 0.49674453598890295
Energy: 0.4872034510222317
Energy: 0.49674522097632406
Energy: 0.49674408647686674
Energy: 0.48529068431367567
Energy: 0.4958895125032375
Energy: 0.4958896344948009
   minimum gb energy = 0.45389073679262515 eV
   minimum distance = 2.61655414654001 Angstroms
   sigma value = 81

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

Energy: 0.5209307369141142
Energy: 0.5186101262545684
Energy: 0.5186103980991978
Energy: 0.5018878640188041
Energy: 0.4867091506029436
Energy: 0.48670910368241166
Energy: 0.5549547736385131
Energy: 0.493095608872872
Energy: 0.4930956732179959
Energy: 0.552556577170854
Energy: 0.4879881710797631
Energy: 0.48798870300025676
Energy: 0.5123728311427166
Energy: 0.5144639454258795
Energy: 0.5144648792674559
Energy: 0.512371385372203
Energy: 0.5144654853742252
Energy: 0.5144650072738285
Energy: 0.5702669765132
Energy: 0.4944745583763328
Energy: 0.494474570399988
Energy: 0.5190003070849536
Energy: 0.4930956126303789
Energy: 0.49309560555052057
Energy: 0.5018878977000693
Energy: 0.48670912780059433
Energy: 0.4867090852505724
Energy: 0.5299415897174241
Energy: 0.514384319050969
Energy: 0.5143846518505562
   minimum gb energy = 0.4867090852505724 eV
   minimum distance = 2.59108538003871 Angstroms
   sigma value = 1

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

Energy: 0.5384952651548034
Energy: 0.5364211454244414
Energy: 0.5364210369519181
Energy: 0.5401633139309996
Energy: 0.5027383992896522
Energy: 0.5027384142279034
Energy: 0.505778795037395
Energy: 0.5332833111839795
Energy: 0.5332833112103661
Energy: 0.5085388836627039
Energy: 0.5371102953233833
Energy: 0.5371120562781879
Energy: 0.5124379046896012
Energy: 0.5773966217918884
Energy: 0.5773972034113215
Energy: 0.5147582136187051
Energy: 0.5171009501321427
Energy: 0.5171001379787385
Energy: 0.5209364442458138
Energy: 0.5371096822967021
Energy: 0.5371105331807318
Energy: 0.5108796502968532
Energy: 0.5691370547143947
Energy: 0.5691321395542002
Energy: 0.48087638004427075
Energy: 0.5469518687251519
Energy: 0.5469519080773866
Energy: 0.5298973994081837
Energy: 0.5437581215404373
Energy: 0.5437575236281842
   minimum gb energy = 0.48087638004427075 eV
   minimum distance = 2.52759822752595 Angstroms
   sigma value = 229

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

Energy: 0.5675137184971996
Energy: 0.5409060922192629
Energy: 0.5409061723434315
Energy: 0.6045410483418537
Energy: 0.5169976605413846
Energy: 0.5169986751617716
Energy: 0.5618269567290511
Energy: 0.5280263454216056
Energy: 0.52802637287807
Energy: 0.5026926083246532
Energy: 0.5722471351391921
Energy: 0.5722471356339515
Energy: 0.5082041416365405
Energy: 0.541722572811219
Energy: 0.5417226993161344
Energy: 0.49271140077675585
Energy: 0.5408081909071545
Energy: 0.5408078350015825
Energy: 0.5033835882547737
Energy: 0.6087663978873264
Energy: 0.6087583196562836
Energy: 0.4810593362613099
Energy: 0.5426238739002918
Energy: 0.542623818872364
Energy: 0.5136667140555965
Energy: 0.5304902836266439
Energy: 0.5304902833005014
Energy: 0.5147987087515841
Energy: 0.5409063619764097
Energy: 0.540906083146341
   minimum gb energy = 0.4810593362613099 eV
   minimum distance = 2.5966066292669 Angstroms
   sigma value = 25

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

Energy: 0.5975844752713614
Energy: 0.5420174082954862
Energy: 0.5420174106470099
Energy: 0.49643149066316244
Energy: 0.5605849727784038
Energy: 0.5605858345732202
Energy: 0.5110435898990026
Energy: 0.5708312243324377
Energy: 0.5708304922406965
Energy: 0.508000440152652
Energy: 0.5374263420201458
Energy: 0.5374299015891307
Energy: 0.5399680023527645
Energy: 0.5420174082235599
Energy: 0.5420174084022342
Energy: 0.5376472129599715
Energy: 0.53988340329095
Energy: 0.5398827083805813
Energy: 0.5435613913919868
Energy: 0.5316035756555902
Energy: 0.5316025400516725
Energy: 0.5316029603688768
Energy: 0.5302050669085372
Energy: 0.5302042269904276
Energy: 0.5255169727202883
Energy: 0.5862244137856706
Energy: 0.5862240998536168
Energy: 0.5213040700523482
Energy: 0.5631985598778175
Energy: 0.5631988377508356
   minimum gb energy = 0.49643149066316244 eV
   minimum distance = 2.57456924322846 Angstroms
   sigma value = 173

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

Energy: 0.5571783992309437
Energy: 0.57484181398106
Energy: 0.5748417369929779
Energy: 0.5413757594115194
Energy: 0.5272778340614266
Energy: 0.5272779435210935
Energy: 0.5763699941137682
Energy: 0.5952913858242078
Energy: 0.5952910460645876
Energy: 0.5641168517176802
Energy: 0.5775304666267496
Energy: 0.5775304666939968
Energy: 0.5272778317584111
Energy: 0.5253263480194021
Energy: 0.52534937599981
Energy: 0.5260363481516432
Energy: 0.5252968405343242
Energy: 0.5252956103752991
Energy: 0.5794898663270347
Energy: 0.5611159775094173
Energy: 0.5611161940220194
Energy: 0.519367669100528
Energy: 0.574463280096718
Energy: 0.5744632800975285
Energy: 0.5474918909259783
Energy: 0.5260362330166412
Energy: 0.5260382145123109
Energy: 0.5382635475619364
Energy: 0.5314831876019247
Energy: 0.5314832923712948
   minimum gb energy = 0.519367669100528 eV
   minimum distance = 2.57016390992331 Angstroms
   sigma value = 9

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

Energy: 0.6042125900225609
Energy: 0.5960629125999781
Energy: 0.5960628867470652
Energy: 0.5452449344546986
Energy: 0.7128464448078496
Energy: 0.712846757208546
Energy: 0.5651864437679198
Energy: 0.5494108315114049
Energy: 0.5494108165858049
Energy: 0.5799702669877123
Energy: 0.5841358301048156
Energy: 0.5841355908080378
Energy: 0.5495646776383092
Energy: 0.5494108327868475
Energy: 0.5494108354558798
Energy: 0.5654803455155812
Energy: 0.5722855823719998
Energy: 0.572285651886625
Energy: 0.5404391295170085
Energy: 0.5486849834065968
Energy: 0.5486856436246086
Energy: 0.5780787786882573
Energy: 0.5371271587678292
Energy: 0.53712711452787
Energy: 0.5600201584801231
Energy: 0.5429261647511012
Energy: 0.5429261724373478
Energy: 0.580426791006643
Energy: 0.5491983129675543
Energy: 0.5491982761661642
   minimum gb energy = 0.53712711452787 eV
   minimum distance = 2.5224895021685 Angstroms
   sigma value = 31

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

Energy: 0.6060255235904976
Energy: 0.5429271399951435
Energy: 0.5429271455004625
Energy: 0.5303052985038686
Energy: 0.5770798825482871
Energy: 0.5770798786857727
Energy: 0.5863115737248913
Energy: 0.6285321734100712
Energy: 0.6285321732912009
Energy: 0.5744524947922288
Energy: 0.5340907835933054
Energy: 0.5340907835962057
Energy: 0.5626772737458411
Energy: 0.5815767586025579
Energy: 0.5815767535475616
Energy: 0.5306036489876329
Energy: 0.5770799098467878
Energy: 0.5770798809953493
Energy: 0.51669084127753
Energy: 0.5437118539057311
Energy: 0.5437118539095982
Energy: 0.5166902703968147
Energy: 0.5432744656731512
Energy: 0.5432743367819507
Energy: 0.5740996529458405
Energy: 0.5862602677728533
Energy: 0.5862602241806895
Energy: 0.5747468151984645
Energy: 0.5944507425915065
Energy: 0.5944507401949414
   minimum gb energy = 0.5166902703968147 eV
   minimum distance = 2.54141628995489 Angstroms
   sigma value = 25

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

Energy: 0.6135575918106446
Energy: 0.5781819493959152
Energy: 0.5781814960302187
Energy: 0.5874714166699195
Energy: 0.5553694681327485
Energy: 0.5553686234701684
Energy: 0.6002593252443424
Energy: 0.5519110504358135
Energy: 0.5519104328129653
Energy: 0.5716587880524168
Energy: 0.5824099434588133
Energy: 0.5824099436783835
Energy: 0.5689304748822747
Energy: 0.5648422352338037
Energy: 0.5653213277993089
Energy: 0.607044660173197
Energy: 0.5604314871613373
Energy: 0.5604314556497452
Energy: 0.5445257403282354
Energy: 0.5824098779701518
Energy: 0.5824102140219253
Energy: 0.5868918737411984
Energy: 0.5503598543540109
Energy: 0.550359851072227
Energy: 0.5944109457284215
Energy: 0.5594640539132325
Energy: 0.5594639661743646
Energy: 0.5243268118616239
Energy: 0.5824106287807357
Energy: 0.5824101375804206
   minimum gb energy = 0.5243268118616239 eV
   minimum distance = 2.50922955253277 Angstroms
   sigma value = 205

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

Energy: 0.5978755898808145
Energy: 0.5898978010769212
Energy: 0.5898976698676659
Energy: 0.5557081767051478
Energy: 0.6509708707794295
Energy: 0.6509709022290511
Energy: 0.5596945325373889
Energy: 0.613158503057168
Energy: 0.6131585857441477
Energy: 0.5660369707593076
Energy: 0.5483274202548442
Energy: 0.5483278430527319
Energy: 0.5729183013021254
Energy: 0.550195460217084
Energy: 0.5502997704209719
Energy: 0.623245285992716
Energy: 0.5772104188506596
Energy: 0.5772105298948298
Energy: 0.566129425858889
Energy: 0.5481474440125657
Energy: 0.5481475163791608
Energy: 0.5257148274899035
Energy: 0.548170526536029
Energy: 0.5481712110966489
Energy: 0.5887261545639728
Energy: 0.5443135403860662
Energy: 0.5443133999424883
Energy: 0.5675428049854068
Energy: 0.5778260996032926
Energy: 0.5778267058295904
   minimum gb energy = 0.5257148274899035 eV
   minimum distance = 2.50497441884872 Angstroms
   sigma value = 85

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

Energy: 0.6251910248013676
Energy: 0.5605053312080084
Energy: 0.5605061388504259
Energy: 0.5427156053626239
Energy: 0.5689921872265811
Energy: 0.5689923268182239
Energy: 0.5742132026747798
Energy: 0.567763904316369
Energy: 0.5677637617556882
Energy: 0.5799970331709796
Energy: 0.563793203188083
Energy: 0.563764121214803
Energy: 0.5931931194652712
Energy: 0.6327285077077136
Energy: 0.6327311420768572
Energy: 0.573890266339581
Energy: 0.5758976509327551
Energy: 0.5758976525939923
Energy: 0.6073332384997091
Energy: 0.5535865729741174
Energy: 0.553586598217692
Energy: 0.5846057211671658
Energy: 0.6139250451907993
Energy: 0.6139263622194958
Energy: 0.5668521214528209
Energy: 0.5697539198309853
Energy: 0.5697539794955819
Energy: 0.5193417086711672
Energy: 0.5787437472202376
Energy: 0.5787434704974006
   minimum gb energy = 0.5193417086711672 eV
   minimum distance = 2.51223968112781 Angstroms
   sigma value = 89

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

Energy: 0.541624774069418
Energy: 0.5979048825649229
Energy: 0.5979049937685625
Energy: 0.6418448253338224
Energy: 0.5019695676212149
Energy: 0.5019694522395578
Energy: 0.6723569689582601
Energy: 0.5979044250848492
Energy: 0.5979049399360608
Energy: 0.5019694522347754
Energy: 0.5650217601378252
Energy: 0.5650217415745928
Energy: 0.6413676395844422
Energy: 0.5955873506295113
Energy: 0.5955851621855685
Energy: 0.5019694522455359
Energy: 0.5897015235448294
Energy: 0.5897004841933154
Energy: 0.5913326371384656
Energy: 0.6661222972073909
Energy: 0.6661223062744897
Energy: 0.558699850729858
Energy: 0.5897003521091811
Energy: 0.5897025357177909
Energy: 0.5593502658037249
Energy: 0.5979044204443468
Energy: 0.5979044202519344
Energy: 0.5195319317594213
Energy: 0.5019694545974709
Energy: 0.501969534628584
   minimum gb energy = 0.5019694522347754 eV
   minimum distance = 2.60870379792127 Angstroms
   sigma value = 17

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

Energy: 0.6231897683949529
Energy: 0.5687124381064496
Energy: 0.5687106733082923
Energy: 0.5758632760176591
Energy: 0.6056828171068626
Energy: 0.6056828156490084
Energy: 0.6113347049084857
Energy: 0.583562318653288
Energy: 0.5835434423992749
Energy: 0.5916733231224951
Energy: 0.5793513453605535
Energy: 0.5793542583631439
Energy: 0.597782038192925
Energy: 0.6051214361298464
Energy: 0.6051221862638297
Energy: 0.609744909686257
Energy: 0.6093387026416226
Energy: 0.6093397759644709
Energy: 0.5829249159481672
Energy: 0.5729453237808521
Energy: 0.5729452295038978
Energy: 0.5700294816528007
Energy: 0.5852558349890538
Energy: 0.5852633556134914
Energy: 0.6261786812180716
Energy: 0.60360301560294
Energy: 0.6036028644911229
Energy: 0.5582690090460962
Energy: 0.5793479458673217
Energy: 0.5793490552194699
   minimum gb energy = 0.5582690090460962 eV
   minimum distance = 2.51088809409456 Angstroms
   sigma value = 241

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

Energy: 0.603221061792186
Energy: 0.5968219971537401
Energy: 0.5968222326579349
Energy: 0.5537290161891886
Energy: 0.6014175757920841
Energy: 0.6014174200934171
Energy: 0.6251227431263773
Energy: 0.6392123736077083
Energy: 0.6392123736211114
Energy: 0.5537289880136671
Energy: 0.5968220051449171
Energy: 0.5968223485942952
Energy: 0.5894031624428132
Energy: 0.5968220096459421
Energy: 0.596822030075296
Energy: 0.6440980765829499
Energy: 0.6444954761901537
Energy: 0.6444940111922166
Energy: 0.5651254990118791
Energy: 0.5657902745772165
Energy: 0.5657901231211229
Energy: 0.5537289959262139
Energy: 0.5968227124228932
Energy: 0.596822022553876
Energy: 0.5894017421122659
Energy: 0.5813435699606659
Energy: 0.5813434034077268
Energy: 0.6284739278266223
Energy: 0.5995325829505377
Energy: 0.5995323980383165
   minimum gb energy = 0.5537289880136671 eV
   minimum distance = 2.51287423330059 Angstroms
   sigma value = 65

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

Energy: 0.5809099532128995
Energy: 0.5753768186003024
Energy: 0.5753768720806225
Energy: 0.5621730600134778
Energy: 0.5423882131734055
Energy: 0.5423882232840035
Energy: 0.5537982106122405
Energy: 0.5954085061023816
Energy: 0.5954075050784214
Energy: 0.5658311664823517
Energy: 0.5311264164534153
Energy: 0.531125638534116
Energy: 0.6865535561925545
Energy: 0.5809099549733361
Energy: 0.5809100071900237
Energy: 0.6504935783106842
Energy: 0.5800800971373277
Energy: 0.5800800969538846
Energy: 0.5537796734645297
Energy: 0.5954181212364115
Energy: 0.5954192080934971
Energy: 0.5516677254876464
Energy: 0.5704869435549219
Energy: 0.5704864852566504
Energy: 0.5809099511458119
Energy: 0.5753776026328061
Energy: 0.5753765139218389
Energy: 0.5154628685667177
Energy: 0.6058092726374947
Energy: 0.6058092739911557
   minimum gb energy = 0.5154628685667177 eV
   minimum distance = 2.55730223416321 Angstroms
   sigma value = 53

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

Energy: 0.5993320901861053
Energy: 0.5550706055998832
Energy: 0.5550720861407302
Energy: 0.6459695164740739
Energy: 0.6252093273491651
Energy: 0.6252050681158656
Energy: 0.5488972111581611
Energy: 0.5802985818070651
Energy: 0.5803019093992632
Energy: 0.549147654644367
Energy: 0.6248684287004281
Energy: 0.6248684932863817
Energy: 0.6932229732304092
Energy: 0.6204870401921843
Energy: 0.6204871176991145
Energy: 0.5476899628864818
Energy: 0.6431021608636425
Energy: 0.643101734319715
Energy: 0.5433881095101053
Energy: 0.5906684136478809
Energy: 0.5906686389041892
Energy: 0.6003675629693598
Energy: 0.5832483681053495
Energy: 0.5832483678990954
Energy: 0.5993494149298434
Energy: 0.5550708664423134
Energy: 0.5550706743433715
Energy: 0.6699121324818682
Energy: 0.5792007468442151
Energy: 0.579201586587725
   minimum gb energy = 0.5433881095101053 eV
   minimum distance = 2.5346863699511 Angstroms
   sigma value = 109

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

Energy: 0.6042665217599246
Energy: 0.5990662727672785
Energy: 0.5990644953567079
Energy: 0.5590429506989262
Energy: 0.5989734878949227
Energy: 0.5989730297131333
Energy: 0.5719617748571797
Energy: 0.5804733000056692
Energy: 0.5804726123236157
Energy: 0.5781618682416412
Energy: 0.5946618539129729
Energy: 0.594662899553879
Energy: 0.668787766613146
Energy: 0.6042680071907206
Energy: 0.6042665710349273
Energy: 0.57816188562281
Energy: 0.5946618431773687
Energy: 0.5946638018996803
Energy: 0.5719649446323054
Energy: 0.5804727217135404
Energy: 0.5804724462001831
Energy: 0.5590438629547061
Energy: 0.5989745341651138
Energy: 0.5989745703051635
Energy: 0.6042722559101927
Energy: 0.5990639771280682
Energy: 0.5990647984216712
Energy: 0.5590422650321727
Energy: 0.5989733003810717
Energy: 0.5989771670429324
   minimum gb energy = 0.5590422650321727 eV
   minimum distance = 2.50448680514928 Angstroms
   sigma value = 185

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

Energy: 0.4840903105603125
Energy: 0.4840903256467481
Energy: 0.4840903030544726
Energy: 0.5844478157756622
Energy: 0.48203557991133217
Energy: 0.48203557930832536
Energy: 0.49696682651487284
Energy: 0.544654220192871
Energy: 0.5446541835409368
Energy: 0.6167491015460086
Energy: 0.48203557955452364
Energy: 0.482035579313002
Energy: 0.48409037234281943
Energy: 0.48409031495595545
Energy: 0.4840903058124668
Energy: 0.5844477797454412
Energy: 0.48203561575767495
Energy: 0.4820355793114431
Energy: 0.4969665105030848
Energy: 0.5446542005408735
Energy: 0.544654181454505
Energy: 0.6167491015709506
Energy: 0.5142052041334126
Energy: 0.5142052123419928
Energy: 0.484090318856155
Energy: 0.48409030301394146
Energy: 0.4840903486816064
Energy: 0.5844477659694294
Energy: 0.5142050963279556
Energy: 0.5142050970213425
   minimum gb energy = 0.48203557930832536 eV
   minimum distance = 2.59369414825054 Angstroms
   sigma value = 9

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

Energy: 0.5746414073097548
Energy: 0.5700417385818051
Energy: 0.5700394342659556
Energy: 0.6953575184834462
Energy: 0.6001352607368158
Energy: 0.6001338045229019
Energy: 0.5661520629141429
Energy: 0.58211978737975
Energy: 0.5821198115190714
Energy: 0.5615559331549866
Energy: 0.5664370107769122
Energy: 0.5664369888066699
Energy: 0.5967036786240829
Energy: 0.618645480541296
Energy: 0.6186501721616964
Energy: 0.5692507456388738
Energy: 0.5764015488007362
Energy: 0.5764020083665645
Energy: 0.7208252047178921
Energy: 0.5865555661549878
Energy: 0.5865553011245008
Energy: 0.5664369785547242
Energy: 0.6127109700001624
Energy: 0.6127122674498042
Energy: 0.6850889038068138
Energy: 0.5736972421116912
Energy: 0.5736979005294647
Energy: 0.5716602348727015
Energy: 0.5688566470740836
Energy: 0.5688569654093886
   minimum gb energy = 0.5615559331549866 eV
   minimum distance = 2.50435199934858 Angstroms
   sigma value = 221

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

Energy: 0.5834547615081809
Energy: 0.5850107888454863
Energy: 0.5850112083602973
Energy: 0.5277728522588558
Energy: 0.5842957708536424
Energy: 0.5842981659310011
Energy: 0.516639629826159
Energy: 0.6154826696689975
Energy: 0.6154821802722291
Energy: 0.5331069863119953
Energy: 0.6206407029481495
Energy: 0.6206416269346405
Energy: 0.579293986927265
Energy: 0.5831646897057299
Energy: 0.5831737979585967
Energy: 0.6428919287239039
Energy: 0.5740296829305513
Energy: 0.5740347727767882
Energy: 0.7079932705527212
Energy: 0.5166398049995923
Energy: 0.5166428751522995
Energy: 0.6406244162252962
Energy: 0.5100252967003926
Energy: 0.5100247240138515
Energy: 0.6660167170867699
Energy: 0.5856270404541204
Energy: 0.5856259543976412
Energy: 0.6402684304417122
Energy: 0.5866801012272433
Energy: 0.5866755128877047
   minimum gb energy = 0.5100247240138515 eV
   minimum distance = 2.5777540223904 Angstroms
   sigma value = 137

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

Energy: 0.5337216017575277
Energy: 0.6125482810800258
Energy: 0.612547024592872
Energy: 0.7039417649783127
Energy: 0.5547196410590711
Energy: 0.5547221126777336
Energy: 0.6212426264160816
Energy: 0.6142643034192915
Energy: 0.6142638706698832
Energy: 0.5461867890895407
Energy: 0.6210746808872695
Energy: 0.6210747724891552
Energy: 0.6141691827716389
Energy: 0.6058641699851387
Energy: 0.605864774271417
Energy: 0.5461867740534441
Energy: 0.6140244881162209
Energy: 0.614025929717811
Energy: 0.7105862423659312
Energy: 0.6334376225483478
Energy: 0.633434998125669
Energy: 0.5461861647249651
Energy: 0.5922902408692219
Energy: 0.5922902408380655
Energy: 0.6581214610444781
Energy: 0.5536601965843652
Energy: 0.5536596345620409
Energy: 0.5461853148499158
Energy: 0.553659644439441
Energy: 0.5536587196751224
   minimum gb energy = 0.5337216017575277 eV
   minimum distance = 2.57487238253205 Angstroms
   sigma value = 73

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

Energy: 0.5805193327675449
Energy: 0.5846479534308424
Energy: 0.5846473286785718
Energy: 0.5651584321396399
Energy: 0.5888484024027882
Energy: 0.5888486266631923
Energy: 0.5734612359036775
Energy: 0.6075610825797703
Energy: 0.6075551046006399
Energy: 0.5231512975306016
Energy: 0.5846476991993661
Energy: 0.5846480434349867
Energy: 0.6041614280976465
Energy: 0.5724038887876304
Energy: 0.5724110151545067
Energy: 0.5376887466161332
Energy: 0.5805442783630708
Energy: 0.580544753951908
Energy: 0.5346196054467386
Energy: 0.6127489263990139
Energy: 0.6127527264149597
Energy: 0.5698866874948821
Energy: 0.581647137355846
Energy: 0.5816471361013655
Energy: 0.5585201188022593
Energy: 0.5669043782916822
Energy: 0.5669043854049193
Energy: 0.5730194370221914
Energy: 0.6111429710861777
Energy: 0.6111429272416259
   minimum gb energy = 0.5231512975306016 eV
   minimum distance = 2.55897969598929 Angstroms
   sigma value = 97

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

Energy: 0.5613766588389587
Energy: 0.5724860104471128
Energy: 0.5724838490233152
Energy: 0.5568361257177192
Energy: 0.5502535093931373
Energy: 0.5502534133816714
Energy: 0.5848727385721092
Energy: 0.620018847410092
Energy: 0.6200180666400226
Energy: 0.5466092153795131
Energy: 0.6134417506261792
Energy: 0.6134417043534658
Energy: 0.6895655859762676
Energy: 0.5170596172273562
Energy: 0.5170596372906562
Energy: 0.635940170026705
Energy: 0.5817046834301782
Energy: 0.581703510789101
Energy: 0.6041804914878783
Energy: 0.5372566471830644
Energy: 0.5372565527518275
Energy: 0.5908752223689833
Energy: 0.573401806676932
Energy: 0.5734018105318541
Energy: 0.6051471235809478
Energy: 0.6025994062463024
Energy: 0.602604407621296
Energy: 0.5549398301580164
Energy: 0.5857442034431174
Energy: 0.5857442177144431
   minimum gb energy = 0.5170596172273562 eV
   minimum distance = 2.49902125887656 Angstroms
   sigma value = 7

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

Energy: 0.5363393958847479
Energy: 0.5398779897247251
Energy: 0.5398782995776971
Energy: 0.533005412746654
Energy: 0.600567426463217
Energy: 0.6005679871394664
Energy: 0.6541076399676384
Energy: 0.5877179699335581
Energy: 0.5877175636158175
Energy: 0.5654863778670053
Energy: 0.6160334246371879
Energy: 0.616035975865119
Energy: 0.5525905656013246
Energy: 0.6584096018606914
Energy: 0.6584077149814652
Energy: 0.5525906132914657
Energy: 0.5918571563001737
Energy: 0.5918570568513172
Energy: 0.5800009940460541
Energy: 0.5275941505129131
Energy: 0.5275882257042471
Energy: 0.6970007217514884
Energy: 0.5404488254067074
Energy: 0.5404488254127746
Energy: 0.5800025246246092
Energy: 0.5759553790201303
Energy: 0.575952754113128
Energy: 0.564631674736814
Energy: 0.5902840509104155
Energy: 0.5902854440793611
   minimum gb energy = 0.5275882257042471 eV
   minimum distance = 2.49763976525125 Angstroms
   sigma value = 169

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

Energy: 0.5284117213170547
Energy: 0.5383992724532243
Energy: 0.5383991985553928
Energy: 0.5910828748513909
Energy: 0.5226092460771592
Energy: 0.5226099629554879
Energy: 0.5941678208639044
Energy: 0.643552534495529
Energy: 0.6435540326112348
Energy: 0.5470590591032549
Energy: 0.5996243090874324
Energy: 0.5996288512262953
Energy: 0.5284114072628265
Energy: 0.5957908935515783
Energy: 0.5957908939902373
Energy: 0.6171700818632176
Energy: 0.551553382087777
Energy: 0.5515533821233488
Energy: 0.5402756313197224
Energy: 0.5764843360902029
Energy: 0.5764848839679722
Energy: 0.5402756324105593
Energy: 0.5656278722692322
Energy: 0.5656292517356404
Energy: 0.6844685494470175
Energy: 0.566735923397809
Energy: 0.5667364446784021
Energy: 0.5470587097529016
Energy: 0.5979877624630904
Energy: 0.597987738833785
   minimum gb energy = 0.5226092460771592 eV
   minimum distance = 2.50020642205565 Angstroms
   sigma value = 29

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

Energy: 0.5332655199803498
Energy: 0.5424017618244655
Energy: 0.5424030249775713
Energy: 0.5554239282788749
Energy: 0.574892149972698
Energy: 0.5748921483036605
Energy: 0.6435286246868637
Energy: 0.5389375224527942
Energy: 0.5389388608065023
Energy: 0.5601432859622799
Energy: 0.5900624095022752
Energy: 0.5900601325030704
Energy: 0.5641741244476581
Energy: 0.6420396141483561
Energy: 0.6420313128855157
Energy: 0.5975900780197587
Energy: 0.5864279303147377
Energy: 0.586429644410044
Energy: 0.5361108872422556
Energy: 0.6043386172139422
Energy: 0.6043341194640514
Energy: 0.5592844635058077
Energy: 0.6625458436400058
Energy: 0.6625463640508389
Energy: 0.5758505324633391
Energy: 0.5845636367855733
Energy: 0.5845652127440972
Energy: 0.6940751295165474
Energy: 0.600780432940199
Energy: 0.600778718917424
   minimum gb energy = 0.5332655199803498 eV
   minimum distance = 2.50322964848532 Angstroms
   sigma value = 97

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

Energy: 0.5488516588903334
Energy: 0.5418477581599518
Energy: 0.5418526296999664
Energy: 0.5711845063518304
Energy: 0.5706247259112216
Energy: 0.5706208985940568
Energy: 0.5975368404198123
Energy: 0.5484493325406791
Energy: 0.5484491596800344
Energy: 0.5545426713998223
Energy: 0.5579540074073913
Energy: 0.5579590822379994
Energy: 0.6987172133268361
Energy: 0.5443089913396657
Energy: 0.5443167644734376
Energy: 0.631169384924302
Energy: 0.6214429415154945
Energy: 0.6214447654049112
Energy: 0.5599716541427312
Energy: 0.6220868301715393
Energy: 0.6220849027799144
Energy: 0.5659848293650299
Energy: 0.5394530439620386
Energy: 0.5394504107537719
Energy: 0.5746826252406578
Energy: 0.6110835226412585
Energy: 0.6110833919396909
Energy: 0.5415283664597599
Energy: 0.6129012362280327
Energy: 0.6129055632570367
   minimum gb energy = 0.5394504107537719 eV
   minimum distance = 2.51386789165938 Angstroms
   sigma value = 73

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

Energy: 0.5409709011445607
Energy: 0.5422737409154488
Energy: 0.5422737852957629
Energy: 0.6408437917445171
Energy: 0.5449158052903975
Energy: 0.5449107464920435
Energy: 0.5431771111510083
Energy: 0.5667726410896655
Energy: 0.5667749491595631
Energy: 0.7034700487231511
Energy: 0.5403359570216455
Energy: 0.5403408347288732
Energy: 0.5816776579913809
Energy: 0.5678321001993472
Energy: 0.5678319038655428
Energy: 0.6090284461039777
Energy: 0.5379369904479845
Energy: 0.5379328481937604
Energy: 0.5590907205797037
Energy: 0.5816031978218965
Energy: 0.5816004372119054
Energy: 0.5590680891909974
Energy: 0.5421916177092121
Energy: 0.5421897401615114
Energy: 0.5645716812557506
Energy: 0.5451894351796593
Energy: 0.5451927848588284
Energy: 0.6074376589044062
Energy: 0.5521710163361307
Energy: 0.5521651892592343
   minimum gb energy = 0.5379328481937604 eV
   minimum distance = 2.55958393922368 Angstroms
   sigma value = 205

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

Energy: 0.5360925605244755
Energy: 0.5400021937390088
Energy: 0.5399972133510821
Energy: 0.5484234361983252
Energy: 0.5625104938501237
Energy: 0.5625122356461771
Energy: 0.5541022705216635
Energy: 0.5661793888554529
Energy: 0.5661790190467326
Energy: 0.562277517632304
Energy: 0.5816530238112015
Energy: 0.5816456037618666
Energy: 0.5637447822703706
Energy: 0.5772970984516153
Energy: 0.5773013611928282
Energy: 0.5847073271069322
Energy: 0.5577900762567327
Energy: 0.5577946385531123
Energy: 0.6131220385195019
Energy: 0.541819079098562
Energy: 0.5418141021818873
Energy: 0.6383600654421748
Energy: 0.5300044335800767
Energy: 0.5300131319001898
Energy: 0.6085919043796407
Energy: 0.5348467778739223
Energy: 0.5348586299336024
Energy: 0.6166359944909051
Energy: 0.5442622147344897
Energy: 0.5442631931402159
   minimum gb energy = 0.5300044335800767 eV
   minimum distance = 2.56315326362866 Angstroms
   sigma value = 137

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

Energy: 0.4931516588143402
Energy: 0.5255549623269876
Energy: 0.5255549220264525
Energy: 0.6166650105516318
Energy: 0.4931516590161867
Energy: 0.493151661670002
Energy: 0.5914195223455676
Energy: 0.4935125080360922
Energy: 0.4935132704751551
Energy: 0.4931516627614556
Energy: 0.4716521738345073
Energy: 0.47165217162161244
Energy: 0.4931516588057473
Energy: 0.49315165883152606
Energy: 0.4931516591715359
Energy: 0.5650706142700167
Energy: 0.49351238036300016
Energy: 0.49351234950828504
Energy: 0.5581845712089337
Energy: 0.5099538502554406
Energy: 0.5099538502622548
Energy: 0.5650706142618748
Energy: 0.4931516596120556
Energy: 0.49315165913849196
Energy: 0.5650706142748769
Energy: 0.49315165880244033
Energy: 0.4931516591724128
Energy: 0.5318045870593165
Energy: 0.5099538502924429
Energy: 0.5099538503385139
   minimum gb energy = 0.47165217162161244 eV
   minimum distance = 2.60732337944888 Angstroms
   sigma value = 5

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

Energy: 0.5111284210557611
Energy: 0.5318807002758282
Energy: 0.531878559854809
Energy: 0.5072323232463709
Energy: 0.5635382173071797
Energy: 0.5635362635647369
Energy: 0.5161463611196195
Energy: 0.5615077335800817
Energy: 0.561516056051372
Energy: 0.5075661123428766
Energy: 0.5537532098013718
Energy: 0.5537515069474249
Energy: 0.588406752449399
Energy: 0.5305368556537744
Energy: 0.5305373992807837
Energy: 0.5421621076698315
Energy: 0.50481787026002
Energy: 0.5048226677312421
Energy: 0.5037718816004154
Energy: 0.5108266906847361
Energy: 0.5108249789651329
Energy: 0.520179663008371
Energy: 0.5084203940232919
Energy: 0.5084162385292945
Energy: 0.5360717422344025
Energy: 0.5437581407522931
Energy: 0.5437623139674539
Energy: 0.5427944591906206
Energy: 0.6098151358085873
Energy: 0.6098153761787055
   minimum gb energy = 0.5037718816004154 eV
   minimum distance = 2.58466692796828 Angstroms
   sigma value = 289

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

Energy: 0.51418274738186
Energy: 0.5300781434088266
Energy: 0.5300779796542419
Energy: 0.5046031189461474
Energy: 0.5217239817498921
Energy: 0.5217226525305594
Energy: 0.5505074210244927
Energy: 0.5029060406154264
Energy: 0.502891998149349
Energy: 0.5302547254329513
Energy: 0.5569662858025973
Energy: 0.5569617839736661
Energy: 0.514256706146172
Energy: 0.5634414048081372
Energy: 0.5634382122835698
Energy: 0.5638422267730429
Energy: 0.5293285060622489
Energy: 0.5293216290502507
Energy: 0.5128193186361029
Energy: 0.5681580888192629
Energy: 0.5681554891723145
Energy: 0.5182668574754327
Energy: 0.6604715011861818
Energy: 0.6604496287730947
Energy: 0.5581598049397227
Energy: 0.508274278175212
Energy: 0.5082801852643634
Energy: 0.5191127957937224
Energy: 0.5041624485534081
Energy: 0.504165605534781
   minimum gb energy = 0.502891998149349 eV
   minimum distance = 2.58478699731534 Angstroms
   sigma value = 109

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

Energy: 0.5092233541895835
Energy: 0.5344557862615528
Energy: 0.534461737453571
Energy: 0.5341446903366285
Energy: 0.5298927899097584
Energy: 0.5298930846284984
Energy: 0.5108300142933643
Energy: 0.5312916514151877
Energy: 0.531295915866558
Energy: 0.5016402590594555
Energy: 0.5378708045420871
Energy: 0.5378707534281825
Energy: 0.5249312239036021
Energy: 0.5449668492809875
Energy: 0.544957599830786
Energy: 0.5675992694700648
Energy: 0.4980153850140093
Energy: 0.49801572774940844
Energy: 0.5096252248461116
Energy: 0.540197924268502
Energy: 0.5401958243949894
Energy: 0.5081748243009042
Energy: 0.574522102832427
Energy: 0.5745221027880054
Energy: 0.5111983207991798
Energy: 0.5016467407379238
Energy: 0.5016409313381415
Energy: 0.504527054273819
Energy: 0.5683419352714304
Energy: 0.5683404825410129
   minimum gb energy = 0.4980153850140093 eV
   minimum distance = 2.56182569962844 Angstroms
   sigma value = 157

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

Energy: 0.5080199798395867
Energy: 0.5359675282601046
Energy: 0.5359579193275416
Energy: 0.5030214942682993
Energy: 0.5651250216982391
Energy: 0.5651239398107701
Energy: 0.4921341765758563
Energy: 0.5625744476176393
Energy: 0.5625744483814704
Energy: 0.5222793809632315
Energy: 0.5068143996575573
Energy: 0.5068151812941727
Energy: 0.5604174530023911
Energy: 0.5563588618644367
Energy: 0.5563639772636061
Energy: 0.6304978899022533
Energy: 0.4948325294876267
Energy: 0.4948325244331657
Energy: 0.5939086205266679
Energy: 0.49456828482284976
Energy: 0.4945700016173955
Energy: 0.4911470040297891
Energy: 0.5563640700864472
Energy: 0.5563670912540838
Energy: 0.5222793443453282
Energy: 0.5001846028249493
Energy: 0.5001789787595442
Energy: 0.49953968165903956
Energy: 0.5683174637232822
Energy: 0.5683177394010882
   minimum gb energy = 0.4911470040297891 eV
   minimum distance = 2.58236896492202 Angstroms
   sigma value = 53

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

Energy: 0.5056937947112129
Energy: 0.5166367681602283
Energy: 0.5166377269909377
Energy: 0.6277522078303723
Energy: 0.4953888298459054
Energy: 0.4953874864069216
Energy: 0.49960377423095503
Energy: 0.6543011655317225
Energy: 0.6538818209705973
Energy: 0.6288869945513158
Energy: 0.49682958382484477
Energy: 0.49683172087126526
Energy: 0.5200288911172597
Energy: 0.596396983881813
Energy: 0.5963972529016143
Energy: 0.667889506759822
Energy: 0.5075024085446072
Energy: 0.5075049234385354
Energy: 0.5144186164776275
Energy: 0.5747555534726679
Energy: 0.5747589234056686
Energy: 0.5883926824996594
Energy: 0.5293627291980614
Energy: 0.52936307773298
Energy: 0.5091127235128751
Energy: 0.5986238087580442
Energy: 0.5986219371303929
Energy: 0.5792394082472027
Energy: 0.4926419819156719
Energy: 0.49264200302322986
   minimum gb energy = 0.4926419819156719 eV
   minimum distance = 2.58408290901817 Angstroms
   sigma value = 1

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

Energy: 0.5104536095229175
Energy: 0.514246539520799
Energy: 0.5142513076668532
Energy: 0.498613815006089
Energy: 0.49889077573638607
Energy: 0.4988907950742187
Energy: 0.49990427325029607
Energy: 0.5007128671672063
Energy: 0.5007135150160335
Energy: 0.49603938344106263
Energy: 0.5782441520208581
Energy: 0.5782441575667369
Energy: 0.5524510080166597
Energy: 0.5218932131013801
Energy: 0.5218883121364667
Energy: 0.5073191912845707
Energy: 0.5815171803517372
Energy: 0.5815185792796719
Energy: 0.5192559200497592
Energy: 0.5333664927253756
Energy: 0.5333652453876739
Energy: 0.48916431033676955
Energy: 0.5830613340332415
Energy: 0.5830556623304483
Energy: 0.4893516204708226
Energy: 0.5939923572443229
Energy: 0.5939978072234856
Energy: 0.5028074042483406
Energy: 0.5133740100867213
Energy: 0.5133787745341466
   minimum gb energy = 0.48916431033676955 eV
   minimum distance = 2.56901474911452 Angstroms
   sigma value = 3

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

Energy: 0.550275860060036
Energy: 0.49936397898533563
Energy: 0.4993644494802344
Energy: 0.4760578398668139
Energy: 0.5606243928611808
Energy: 0.5606243690974916
Energy: 0.47186624378307573
Energy: 0.7046031520235135
Energy: 0.7046031237261287
Energy: 0.4760580216770268
Energy: 0.5786370389808102
Energy: 0.5786370393653065
Energy: 0.4904223841169089
Energy: 0.49868126407543767
Energy: 0.4986826008939314
Energy: 0.6005994898925484
Energy: 0.48349693260160637
Energy: 0.4834984093723835
Energy: 0.562318048220117
Energy: 0.48350042817164945
Energy: 0.48349695516784513
Energy: 0.5529037228541882
Energy: 0.5786370387349065
Energy: 0.5786370394320759
Energy: 0.4760583127371497
Energy: 0.5816433829378136
Energy: 0.5816404322187156
Energy: 0.4767648115062875
Energy: 0.579258417238444
Energy: 0.5792586533854464
   minimum gb energy = 0.47186624378307573 eV
   minimum distance = 2.50113700960593 Angstroms
   sigma value = 17

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

Energy: 0.5231986241634975
Energy: 0.505870205351957
Energy: 0.5058755768026668
Energy: 0.48206439991601185
Energy: 0.5584135221626247
Energy: 0.558413099667131
Energy: 0.4810558477088544
Energy: 0.5446986151737984
Energy: 0.5447063009313262
Energy: 0.5331002734850201
Energy: 0.5959047649289112
Energy: 0.5959047225416113
Energy: 0.5662962702942761
Energy: 0.47800801326465514
Energy: 0.47800769143332883
Energy: 0.5335634514718243
Energy: 0.5167653047032212
Energy: 0.5167624138984791
Energy: 0.5181463246416887
Energy: 0.5318698807277294
Energy: 0.5318706318160974
Energy: 0.47616198345145083
Energy: 0.5800372025316041
Energy: 0.5800381048481611
Energy: 0.4841596086629138
Energy: 0.5952957660112943
Energy: 0.5952951357109667
Energy: 0.4785953396970965
Energy: 0.6011471018858168
Energy: 0.6011738210439715
   minimum gb energy = 0.47616198345145083 eV
   minimum distance = 2.57027164419013 Angstroms
   sigma value = 233

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

Energy: 0.49390603713416126
Energy: 0.4877377975446491
Energy: 0.48773418704872734
Energy: 0.4761755494329611
Energy: 0.5390705111189543
Energy: 0.5390686867121496
Energy: 0.5128390633876008
Energy: 0.4819095673183719
Energy: 0.48191135322312706
Energy: 0.5090847372879852
Energy: 0.5489798898049224
Energy: 0.5489742715545601
Energy: 0.4818386923212908
Energy: 0.5330008318136382
Energy: 0.5330044626456647
Energy: 0.4813997875474699
Energy: 0.5920656020198256
Energy: 0.5920660975562051
Energy: 0.48183727100173945
Energy: 0.4878862068526617
Energy: 0.4878867843131956
Energy: 0.5567489871471846
Energy: 0.4947900772410478
Energy: 0.4947891658914059
Energy: 0.48641983920737253
Energy: 0.48376901974243736
Energy: 0.48377095434385764
Energy: 0.47618152950970105
Energy: 0.6468628052601489
Energy: 0.6468628437626737
   minimum gb energy = 0.4761755494329611 eV
   minimum distance = 2.4929981481513 Angstroms
   sigma value = 89

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

Energy: 0.5140081706452362
Energy: 0.49182723385849514
Energy: 0.49182479719062744
Energy: 0.594671624634791
Energy: 0.5048426310315834
Energy: 0.5048367598175071
Energy: 0.47441629417036857
Energy: 0.6866014677985339
Energy: 0.6866008486019967
Energy: 0.5810579779203244
Energy: 0.46812036202206253
Energy: 0.4681203632559641
Energy: 0.46677574253216414
Energy: 0.6458278939460738
Energy: 0.6458239626741831
Energy: 0.5832907595894193
Energy: 0.5087502233156735
Energy: 0.5087500329472365
Energy: 0.4758899034612412
Energy: 0.5615796327318393
Energy: 0.5615796443089767
Energy: 0.608324564263286
Energy: 0.5243205030710867
Energy: 0.5243208558011903
Energy: 0.47324547285788376
Energy: 0.5615718725933968
Energy: 0.5615717761890424
Energy: 0.5971759746509928
Energy: 0.5246301721400112
Energy: 0.524637507639205
   minimum gb energy = 0.46677574253216414 eV
   minimum distance = 2.49332048251161 Angstroms
   sigma value = 85

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

Energy: 0.5070886856811183
Energy: 0.48466341631943394
Energy: 0.4846618754002896
Energy: 0.4677053720008742
Energy: 0.6024961333910359
Energy: 0.6024904522992888
Energy: 0.47205752996914013
Energy: 0.5367507187073848
Energy: 0.536750718448054
Energy: 0.5083187671949222
Energy: 0.4790458746574035
Energy: 0.4790498375525577
Energy: 0.46765307825328967
Energy: 0.4694975106997994
Energy: 0.4694977167177311
Energy: 0.4728745069336027
Energy: 0.6206911809712993
Energy: 0.6206912108868894
Energy: 0.47116455187767114
Energy: 0.5205655072114257
Energy: 0.5205659046195076
Energy: 0.46603027981274825
Energy: 0.600347186313329
Energy: 0.6003472152258467
Energy: 0.5030507393164012
Energy: 0.5003703838344326
Energy: 0.500370041466333
Energy: 0.5558999826986232
Energy: 0.5187100723528776
Energy: 0.5187085593500177
   minimum gb energy = 0.46603027981274825 eV
   minimum distance = 2.50912015885885 Angstroms
   sigma value = 69

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

Energy: 0.43124862690216126
Energy: 0.4312486268283615
Energy: 0.43124862750623116
Energy: 0.4407230186629044
Energy: 0.5796557812194043
Energy: 0.5796560408229592
Energy: 0.4520906942672371
Energy: 0.4474501399424923
Energy: 0.4474501399424923
Energy: 0.44072302995397805
Energy: 0.4474501401105691
Energy: 0.44745014452615245
Energy: 0.44072367946922375
Energy: 0.44745014075562506
Energy: 0.44745013994796123
Energy: 0.6193082874939478
Energy: 0.4407230342930272
Energy: 0.4407230571840767
Energy: 0.4407230207087252
Energy: 0.4694371503825981
Energy: 0.469437320370795
Energy: 0.43124862687894927
Energy: 0.5129250443254939
Energy: 0.5129250260891853
Energy: 0.4312486268269943
Energy: 0.44745013994112504
Energy: 0.44745014117928195
Energy: 0.4407232761372369
Energy: 0.44745013996026634
Energy: 0.44745014060118954
   minimum gb energy = 0.4312486268269943 eV
   minimum distance = 2.59321576495541 Angstroms
   sigma value = 13

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

Energy: 0.5468748783607628
Energy: 0.4804990034311766
Energy: 0.4804986739017413
Energy: 0.44526039333689915
Energy: 0.5989624560832864
Energy: 0.5989621044810541
Energy: 0.4685707299356441
Energy: 0.49920142460461014
Energy: 0.49920094843073254
Energy: 0.44320775897795156
Energy: 0.5508558241633861
Energy: 0.5508487882874467
Energy: 0.44367951673251954
Energy: 0.4514835231668061
Energy: 0.4514842088764499
Energy: 0.44010851160418907
Energy: 0.5836577639007126
Energy: 0.583657786511723
Energy: 0.4388794888074667
Energy: 0.5015655521691248
Energy: 0.5015607345643439
Energy: 0.6103301358889581
Energy: 0.4864030179177523
Energy: 0.4864027334236681
Energy: 0.5368130604612338
Energy: 0.5414682169431881
Energy: 0.5414687092574948
Energy: 0.5741444991516457
Energy: 0.4824942114721474
Energy: 0.4824941206061849
   minimum gb energy = 0.4388794888074667 eV
   minimum distance = 2.52435905180223 Angstroms
   sigma value = 125

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

Energy: 0.4617342887985082
Energy: 0.4539859354874333
Energy: 0.4539753459245989
Energy: 0.44818504935378106
Energy: 0.44851580028927224
Energy: 0.44851311752452094
Energy: 0.4393013019338339
Energy: 0.44162459083663713
Energy: 0.4416313145077744
Energy: 0.4308277312269982
Energy: 0.5333423926140255
Energy: 0.5333524125564251
Energy: 0.5575959666515
Energy: 0.43604346295737617
Energy: 0.4360444042715134
Energy: 0.43930703670470317
Energy: 0.6164057123649989
Energy: 0.6164057134407871
Energy: 0.43662368630273407
Energy: 0.5311563034069355
Energy: 0.5311562464354144
Energy: 0.5874875187265518
Energy: 0.4402011409768228
Energy: 0.4402029407932386
Energy: 0.4419340716688246
Energy: 0.4865240131495321
Energy: 0.4865283115025875
Energy: 0.4329956517230747
Energy: 0.5328148044736671
Energy: 0.5328124910233611
   minimum gb energy = 0.4308277312269982 eV
   minimum distance = 2.50916091205893 Angstroms
   sigma value = 37

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

Energy: 0.44950440018592097
Energy: 0.43317121452783824
Energy: 0.4331697432181879
Energy: 0.4274409642182673
Energy: 0.4996373967714066
Energy: 0.4996351264433132
Energy: 0.43056002531571574
Energy: 0.4373870417675637
Energy: 0.43738860287464354
Energy: 0.43316535924814376
Energy: 0.44036148075875825
Energy: 0.4403541692399311
Energy: 0.5059214332862865
Energy: 0.5075066110350613
Energy: 0.5075051926205149
Energy: 0.4274421565467867
Energy: 0.4373870258745238
Energy: 0.43738689947257703
Energy: 0.4363951218458425
Energy: 0.49980564565285535
Energy: 0.4998046021756401
Energy: 0.5746086892169446
Energy: 0.5075044429789572
Energy: 0.5075034020043173
Energy: 0.4315300658689991
Energy: 0.431220013160986
Energy: 0.4312233991717724
Energy: 0.4364005946071283
Energy: 0.5831960291649348
Energy: 0.5831982607210451
   minimum gb energy = 0.4274409642182673 eV
   minimum distance = 2.52219521860381 Angstroms
   sigma value = 37

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

Energy: 0.5186433958654532
Energy: 0.4290199892586196
Energy: 0.4290245909458599
Energy: 0.4208555338824448
Energy: 0.4305473452344989
Energy: 0.43054164642003845
Energy: 0.42081114535538683
Energy: 0.5881192428640553
Energy: 0.5881203232321429
Energy: 0.4222555834196509
Energy: 0.4292600023784528
Energy: 0.4292591859411418
Energy: 0.4180349197082451
Energy: 0.4686689421015355
Energy: 0.4686757216275396
Energy: 0.5106728437627239
Energy: 0.5190639885190522
Energy: 0.5190599208511922
Energy: 0.4250056180625518
Energy: 0.5789197736972271
Energy: 0.5789193538381664
Energy: 0.5994264160861117
Energy: 0.4242126832702519
Energy: 0.4242096304076739
Energy: 0.42737017140767547
Energy: 0.5987976309331601
Energy: 0.5987996838878946
Energy: 0.42081551232564646
Energy: 0.5026396732272632
Energy: 0.5026417541451643
   minimum gb energy = 0.4180349197082451 eV
   minimum distance = 2.56591402204715 Angstroms
   sigma value = 185

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

Energy: 0.5164100890222642
Energy: 0.5017192749435442
Energy: 0.5017192918712808
Energy: 0.42170553811853684
Energy: 0.5103308469375412
Energy: 0.5103297568968218
Energy: 0.5080274310512446
Energy: 0.5243066282019333
Energy: 0.5243231569481867
Energy: 0.42633423955233496
Energy: 0.5185207202849093
Energy: 0.5185207200340567
Energy: 0.5147729351008647
Energy: 0.4387978572907738
Energy: 0.4387983475410716
Energy: 0.42511496528012654
Energy: 0.607327172211043
Energy: 0.6073267219719872
Energy: 0.4240165226667969
Energy: 0.553342161622988
Energy: 0.5533418999350337
Energy: 0.6156285383624773
Energy: 0.45958563459698126
Energy: 0.45957995958621795
Energy: 0.42672789096381153
Energy: 0.6133959837278669
Energy: 0.6134011683903715
Energy: 0.5096402539570344
Energy: 0.5243016325569639
Energy: 0.5243210845637359
   minimum gb energy = 0.42170553811853684 eV
   minimum distance = 2.49027109955654 Angstroms
   sigma value = 173

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

Energy: 0.4781804162831694
Energy: 0.5517876660738924
Energy: 0.5517879458684465
Energy: 0.411950514669639
Energy: 0.5905894403587207
Energy: 0.5905891875873165
Energy: 0.40376645657078925
Energy: 0.6588334152103671
Energy: 0.6588340953190502
Energy: 0.4090251784706546
Energy: 0.6291104224299215
Energy: 0.6291078442064172
Energy: 0.4032362389588221
Energy: 0.5400349409232648
Energy: 0.5400339487580361
Energy: 0.4037659805887305
Energy: 0.5203308520011529
Energy: 0.5203304415926648
Energy: 0.45373026280168205
Energy: 0.5604596954853538
Energy: 0.5604600304703325
Energy: 0.4775704780400503
Energy: 0.520329974748077
Energy: 0.5203306636956065
Energy: 0.45373027511144415
Energy: 0.666170194149806
Energy: 0.6661612334700395
Energy: 0.4037658284930565
Energy: 0.4662047295491575
Energy: 0.4662047160105031
   minimum gb energy = 0.4032362389588221 eV
   minimum distance = 2.53279264783116 Angstroms
   sigma value = 25

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

Energy: 0.48275114707953015
Energy: 0.637568330742905
Energy: 0.6375683901136949
Energy: 0.3980364889096498
Energy: 0.5791649501088073
Energy: 0.5791674477944577
Energy: 0.541068862244146
Energy: 0.4384101064625362
Energy: 0.43841497180236044
Energy: 0.39279393001606
Energy: 0.5035719812804889
Energy: 0.5035719865870004
Energy: 0.40285287672902015
Energy: 0.5416833051000461
Energy: 0.5416994242362404
Energy: 0.4125508533846381
Energy: 0.49712005045285945
Energy: 0.49711861368481486
Energy: 0.3952015139496824
Energy: 0.47475135219143105
Energy: 0.4747530463684901
Energy: 0.6092037572352504
Energy: 0.4342897675961322
Energy: 0.43428675141279305
Energy: 0.39718634933676555
Energy: 0.5752765580315294
Energy: 0.5752754735852991
Energy: 0.39856099950393087
Energy: 0.6142551231265144
Energy: 0.6142573640620174
   minimum gb energy = 0.39279393001606 eV
   minimum distance = 2.57116866778362 Angstroms
   sigma value = 269

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

Energy: 0.49734432393438294
Energy: 0.62355012351963
Energy: 0.6235501241627038
Energy: 0.3852890047798591
Energy: 0.5002605904695234
Energy: 0.5002628669311876
Energy: 0.47046709563412714
Energy: 0.4860494933020458
Energy: 0.48604912607314754
Energy: 0.3959549188407514
Energy: 0.5390222436461657
Energy: 0.5390209107117239
Energy: 0.3959551955822425
Energy: 0.6174963841556433
Energy: 0.6174967903974538
Energy: 0.38794804970242447
Energy: 0.5485572703789681
Energy: 0.5485586513629408
Energy: 0.520718189354045
Energy: 0.38619439444126763
Energy: 0.38619355077597894
Energy: 0.49702132035671426
Energy: 0.539017942367138
Energy: 0.539019692245138
Energy: 0.3852900005486192
Energy: 0.45323758039601425
Energy: 0.4532375753107163
Energy: 0.3879499654479581
Energy: 0.591140302479752
Energy: 0.591141106717242
   minimum gb energy = 0.3852890047798591 eV
   minimum distance = 2.52400533342898 Angstroms
   sigma value = 65

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

Energy: 0.5206311010848976
Energy: 0.6179694741299008
Energy: 0.6179671874631847
Energy: 0.43725366580433345
Energy: 0.45553737948784445
Energy: 0.45553706924797854
Energy: 0.3919314507231972
Energy: 0.6230398914290269
Energy: 0.6230398916188633
Energy: 0.5234424698585904
Energy: 0.38660422107082976
Energy: 0.38660457818971755
Energy: 0.38966181475912365
Energy: 0.6068705735431854
Energy: 0.6068660316088265
Energy: 0.5665974888090283
Energy: 0.4191803684426781
Energy: 0.4191788561629844
Energy: 0.3885167286508166
Energy: 0.5915889617007061
Energy: 0.5915886570813773
Energy: 0.5832656663435062
Energy: 0.41917761321464325
Energy: 0.41917965647045463
Energy: 0.3885169280941788
Energy: 0.6008171016622708
Energy: 0.6008271370572307
Energy: 0.44727556852623634
Energy: 0.41860062017285066
Energy: 0.4185995180944033
   minimum gb energy = 0.38660422107082976 eV
   minimum distance = 2.52399096414568 Angstroms
   sigma value = 79

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

Energy: 0.4434154227109833
Energy: 0.597207748366421
Energy: 0.5972077499547197
Energy: 0.41780440871204544
Energy: 0.5119082075040081
Energy: 0.5119076676271629
Energy: 0.423074674850937
Energy: 0.3812493309747163
Energy: 0.3812493174916224
Energy: 0.37455244145356725
Energy: 0.552830264819445
Energy: 0.5528303546231123
Energy: 0.374553530109317
Energy: 0.5574727427515609
Energy: 0.5574728615452572
Energy: 0.3673167616690124
Energy: 0.5383184646382622
Energy: 0.5383184644612596
Energy: 0.4178044068689863
Energy: 0.37455348047791437
Energy: 0.3745536434031262
Energy: 0.4434150637165349
Energy: 0.594799856391411
Energy: 0.5948004845374465
Energy: 0.4178044062979798
Energy: 0.530019028165819
Energy: 0.5300185771329848
Energy: 0.4065564713279255
Energy: 0.49567908654197773
Energy: 0.4956806501647846
   minimum gb energy = 0.3673167616690124 eV
   minimum distance = 2.52536685663237 Angstroms
   sigma value = 41

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

Energy: 0.45636497817138083
Energy: 0.5753059720296292
Energy: 0.5753019611667529
Energy: 0.3528758180467549
Energy: 0.5883920984155326
Energy: 0.588393549255459
Energy: 0.3550482269831563
Energy: 0.4450792944714189
Energy: 0.44507929628117887
Energy: 0.5266081798288208
Energy: 0.4057795704002933
Energy: 0.40578177444304986
Energy: 0.4364889536928402
Energy: 0.5444668676879142
Energy: 0.5444668485750257
Energy: 0.3643944037800623
Energy: 0.5744033329458949
Energy: 0.5744025140105115
Energy: 0.3624692557811026
Energy: 0.5765148400672111
Energy: 0.576514800759015
Energy: 0.5177630994142575
Energy: 0.5127750544464673
Energy: 0.5127764527247438
Energy: 0.3992866908527542
Energy: 0.3579814613276873
Energy: 0.357981474276734
Energy: 0.3526330080983576
Energy: 0.5110399662018112
Energy: 0.5110425137344059
   minimum gb energy = 0.3526330080983576 eV
   minimum distance = 2.52358412573534 Angstroms
   sigma value = 101

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

Energy: 0.4848470158666923
Energy: 0.547578977148233
Energy: 0.5475789828969541
Energy: 0.42707790626874936
Energy: 0.3477377085766111
Energy: 0.34773784228106264
Energy: 0.34285528328266185
Energy: 0.5439043320125745
Energy: 0.5439045137395254
Energy: 0.3407350899314343
Energy: 0.35534932851942147
Energy: 0.35534689169952716
Energy: 0.34285570180304364
Energy: 0.5523655432633824
Energy: 0.5523655442292823
Energy: 0.3428568077328176
Energy: 0.4194802711448877
Energy: 0.4194815283886617
Energy: 0.34144042172324196
Energy: 0.530116861366704
Energy: 0.530117336342812
Energy: 0.4844121278951184
Energy: 0.5251761920978111
Energy: 0.5251760665880593
Energy: 0.476322757108983
Energy: 0.4194805095250084
Energy: 0.41948017300274937
Energy: 0.3428561986970781
Energy: 0.5687765238042923
Energy: 0.5687777744930755
   minimum gb energy = 0.3407350899314343 eV
   minimum distance = 2.58710887331805 Angstroms
   sigma value = 15

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

Energy: 0.49094146569226094
Energy: 0.5387390084431165
Energy: 0.5387388674032204
Energy: 0.4054010554567329
Energy: 0.42210878513295547
Energy: 0.42210968825064593
Energy: 0.3324142727054292
Energy: 0.5279445389613614
Energy: 0.5279435491761256
Energy: 0.3574099034867893
Energy: 0.5459090471568625
Energy: 0.5459097620162406
Energy: 0.5389997653040343
Energy: 0.36590256106029007
Energy: 0.3659025607373899
Energy: 0.3357310235536367
Energy: 0.5432713048211596
Energy: 0.5432717076591163
Energy: 0.32802701647166127
Energy: 0.467468740037426
Energy: 0.4674700567635416
Energy: 0.5431524346428559
Energy: 0.4633863148169116
Energy: 0.46338634581295296
Energy: 0.3364435294899184
Energy: 0.5335009665449122
Energy: 0.5335003723702498
Energy: 0.3264745061958487
Energy: 0.48304918294284604
Energy: 0.48304823613448233
   minimum gb energy = 0.3264745061958487 eV
   minimum distance = 2.50396163716279 Angstroms
   sigma value = 145

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

Energy: 0.44665209038804937
Energy: 0.5122267164828763
Energy: 0.5122284522776337
Energy: 0.3262544266483064
Energy: 0.5317818841732099
Energy: 0.5317815321924696
Energy: 0.3185377971412576
Energy: 0.4383414920772424
Energy: 0.4383416455418504
Energy: 0.37542965871763384
Energy: 0.43665613367292383
Energy: 0.43665586224291214
Energy: 0.3185385485892621
Energy: 0.4364167586509612
Energy: 0.43641613787460115
Energy: 0.318538175811719
Energy: 0.5511682910708932
Energy: 0.5511685802662318
Energy: 0.3262549772884286
Energy: 0.5777076791743193
Energy: 0.5777091671070929
Energy: 0.44641215634948667
Energy: 0.524784767048948
Energy: 0.5247847460907161
Energy: 0.3968080688662963
Energy: 0.4410006070139673
Energy: 0.44100035131627646
Energy: 0.4374395570110405
Energy: 0.31766861339671376
Energy: 0.31766973418354266
   minimum gb energy = 0.31766861339671376 eV
   minimum distance = 2.59346243442717 Angstroms
   sigma value = 85

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

Energy: 0.5015077288740423
Energy: 0.5045728606597725
Energy: 0.5045762909150255
Energy: 0.3125024355484166
Energy: 0.5369377704127462
Energy: 0.5369377730242322
Energy: 0.3120491868299858
Energy: 0.49978413182676645
Energy: 0.4997837754513331
Energy: 0.384290036791463
Energy: 0.5070745943334222
Energy: 0.5070730377203976
Energy: 0.38428933510963303
Energy: 0.5041209472027122
Energy: 0.5041221879731573
Energy: 0.3102353777628796
Energy: 0.392442672545032
Energy: 0.43121806943770374
Energy: 0.3221774263397383
Energy: 0.37736431475725113
Energy: 0.3773643081192609
Energy: 0.542331709055898
Energy: 0.39887025824386996
Energy: 0.3988695255541974
Energy: 0.3786139848938262
Energy: 0.4230411293503121
Energy: 0.4230413178201969
Energy: 0.30694189761044616
Energy: 0.4945358068347115
Energy: 0.49453153783853904
   minimum gb energy = 0.30694189761044616 eV
   minimum distance = 2.50426114865841 Angstroms
   sigma value = 197

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

Energy: 0.4512894299116113
Energy: 0.48876051788603586
Energy: 0.4887618942946903
Energy: 0.3426481952596733
Energy: 0.4830377661952441
Energy: 0.48303777836121053
Energy: 0.31461024691517736
Energy: 0.46825316551077545
Energy: 0.46825306030807834
Energy: 0.2899381719968975
Energy: 0.4093441692668062
Energy: 0.40934382689374016
Energy: 0.36256602048277503
Energy: 0.4327341536216866
Energy: 0.43273269165731826
Energy: 0.3146103686591168
Energy: 0.3595852335777803
Energy: 0.35958504149692566
Energy: 0.4203997516987136
Energy: 0.4895895506599168
Energy: 0.4895895542546311
Energy: 0.450765900478837
Energy: 0.49001471114458983
Energy: 0.4900149361244349
Energy: 0.3426480767294212
Energy: 0.4795623358851454
Energy: 0.47956230577385345
Energy: 0.30443334774242287
Energy: 0.48303776709960344
Energy: 0.4830378171758367
   minimum gb energy = 0.2899381719968975 eV
   minimum distance = 2.61593005699292 Angstroms
   sigma value = 113

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

Energy: 0.4328322620794459
Energy: 0.4595614176864931
Energy: 0.4595614017280002
Energy: 0.45081511741324665
Energy: 0.3298513342915833
Energy: 0.32985028650321835
Energy: 0.27962153539131046
Energy: 0.3885348262651759
Energy: 0.38853486419415784
Energy: 0.2796215354085046
Energy: 0.4608314919242508
Energy: 0.46083164433300605
Energy: 0.2721482272080517
Energy: 0.3823853739041225
Energy: 0.3823853145226716
Energy: 0.28595583809279956
Energy: 0.4641443238062487
Energy: 0.46414429884282454
Energy: 0.4184757267898051
Energy: 0.3756250990635875
Energy: 0.3756252707584796
Energy: 0.4677588438788164
Energy: 0.4705096623676134
Energy: 0.470509672749081
Energy: 0.3695161303102201
Energy: 0.46573650757486507
Energy: 0.46573577012908124
Energy: 0.33246966263034233
Energy: 0.37112979610643027
Energy: 0.3711298187938632
   minimum gb energy = 0.2721482272080517 eV
   minimum distance = 2.53250611513416 Angstroms
   sigma value = 145

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

Energy: 0.46127182669482536
Energy: 0.44150649005034914
Energy: 0.44150806457620034
Energy: 0.3899823023826657
Energy: 0.43006861001239954
Energy: 0.4300616648923223
Energy: 0.2823436143529583
Energy: 0.3344996881737029
Energy: 0.33449968953214526
Energy: 0.2713514602753701
Energy: 0.4353944318921705
Energy: 0.43539731180307567
Energy: 0.26275031643229974
Energy: 0.4397235973544863
Energy: 0.43972507095301316
Energy: 0.33197987941048573
Energy: 0.3533884429924712
Energy: 0.3533884465986174
Energy: 0.3029667893703445
Energy: 0.44210687844015056
Energy: 0.4421068666921778
Energy: 0.4595176754773628
Energy: 0.4407522396983317
Energy: 0.4407519108214152
Energy: 0.4673685007861203
Energy: 0.30650052275650996
Energy: 0.30650011137050315
Energy: 0.27408015688278076
Energy: 0.4473375654910091
Energy: 0.4473377799917193
   minimum gb energy = 0.26275031643229974 eV
   minimum distance = 2.62606035443734 Angstroms
   sigma value = 181

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

Energy: 0.4174277894088695
Energy: 0.4164452296419561
Energy: 0.41644520236608723
Energy: 0.32765179192502686
Energy: 0.46714864255559346
Energy: 0.46714995908485935
Energy: 0.25530195143151785
Energy: 0.4513636113681069
Energy: 0.451364436850792
Energy: 0.255301762439774
Energy: 0.4203815641694043
Energy: 0.42038170158886834
Energy: 0.2552967354492025
Energy: 0.4160975859682134
Energy: 0.4160971935951816
Energy: 0.2553019482097785
Energy: 0.42507162513012897
Energy: 0.4250718737257112
Energy: 0.3276518007172537
Energy: 0.4160976163282666
Energy: 0.41609725232856065
Energy: 0.44057639072520244
Energy: 0.40711726528851583
Energy: 0.4071145848449827
Energy: 0.3276518165598543
Energy: 0.4208307271090193
Energy: 0.42083072768839097
Energy: 0.24843397052227836
Energy: 0.37501909988454724
Energy: 0.37501890386491843
   minimum gb energy = 0.24843397052227836 eV
   minimum distance = 2.55688471088202 Angstroms
   sigma value = 55

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

Energy: 0.3972329336213217
Energy: 0.39977879177677833
Energy: 0.399776844432993
Energy: 0.31502865746215397
Energy: 0.39116177081302306
Energy: 0.3911620694185973
Energy: 0.36425396490488904
Energy: 0.24856782545997932
Energy: 0.24856824346896664
Energy: 0.2371452612166909
Energy: 0.40371741077411777
Energy: 0.4037174108034643
Energy: 0.24889037080481446
Energy: 0.40357277390124696
Energy: 0.40356938792315183
Energy: 0.24210477317261653
Energy: 0.3928467421010733
Energy: 0.3928467417363338
Energy: 0.5590638693278285
Energy: 0.24503334116692102
Energy: 0.24503332703791156
Energy: 0.44037897961104405
Energy: 0.40183502467657684
Energy: 0.40183482317547836
Energy: 0.31509882163310243
Energy: 0.43255492362192594
Energy: 0.432555045179006
Energy: 0.24178686362549176
Energy: 0.4000619668242711
Energy: 0.4000620484445936
   minimum gb energy = 0.2371452612166909 eV
   minimum distance = 2.61812538411949 Angstroms
   sigma value = 265

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

Energy: 0.43645966132891145
Energy: 0.3856153329807968
Energy: 0.3856149626995201
Energy: 0.44795771573847265
Energy: 0.2931447025572809
Energy: 0.2931439750535107
Energy: 0.23799290389399794
Energy: 0.3788693623720286
Energy: 0.3788695935824126
Energy: 0.22477804009597194
Energy: 0.3410982772586532
Energy: 0.34109288382677094
Energy: 0.23638912463651646
Energy: 0.39748075978831526
Energy: 0.3974801583412369
Energy: 0.2459219161397057
Energy: 0.36542561807368257
Energy: 0.36542581374518246
Energy: 0.3134423674874559
Energy: 0.39075568377436326
Energy: 0.39075587925507094
Energy: 0.4336851657516747
Energy: 0.37679628589462916
Energy: 0.37679632025988247
Energy: 0.37060374617741654
Energy: 0.3846585726037555
Energy: 0.384659046787125
Energy: 0.23484401470492883
Energy: 0.3845927042797933
Energy: 0.3845925278011035
   minimum gb energy = 0.22477804009597194 eV
   minimum distance = 2.6134147626501 Angstroms
   sigma value = 39

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

Energy: 0.40372436664702016
Energy: 0.36943937015696854
Energy: 0.36944091281054003
Energy: 0.28738279885811535
Energy: 0.3698211855586049
Energy: 0.3698211855719755
Energy: 0.25927457961213485
Energy: 0.35632286640673627
Energy: 0.3563223769857989
Energy: 0.21580821601296
Energy: 0.3510135507983485
Energy: 0.3510222897601802
Energy: 0.2216427088485163
Energy: 0.37129779232085625
Energy: 0.3712979155158702
Energy: 0.2259175623150179
Energy: 0.40615816495695534
Energy: 0.40615816501602053
Energy: 0.28738298220217745
Energy: 0.36426535656050113
Energy: 0.36426588960615547
Energy: 0.43813850351754746
Energy: 0.3556455383236532
Energy: 0.35563930253597414
Energy: 0.4136999160137947
Energy: 0.2792420933373013
Energy: 0.2792382684024251
Energy: 0.27369648568718746
Energy: 0.3446539857581095
Energy: 0.3446557197340531
   minimum gb energy = 0.21580821601296 eV
   minimum distance = 2.57607245051715 Angstroms
   sigma value = 91

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

Energy: 0.3873394775155544
Energy: 0.3556086618955319
Energy: 0.35560861785695513
Energy: 0.27894001063353807
Energy: 0.35501422643535213
Energy: 0.3550140753021796
Energy: 0.21684963184417413
Energy: 0.35578245233332084
Energy: 0.3557833774174111
Energy: 0.21354202586945828
Energy: 0.3503156142438396
Energy: 0.3503153452309353
Energy: 0.211036216759968
Energy: 0.33970443725467037
Energy: 0.3397050283798524
Energy: 0.4414640855696773
Energy: 0.2687557851292278
Energy: 0.268755849606951
Energy: 0.36351734986229217
Energy: 0.2976730470590211
Energy: 0.29767298705049655
Energy: 0.4195380263676141
Energy: 0.3514039192772632
Energy: 0.35140145537864986
Energy: 0.324989817663439
Energy: 0.3636149884680666
Energy: 0.3636158386183175
Energy: 0.22141634271969893
Energy: 0.38828281208897875
Energy: 0.38828279743266336
   minimum gb energy = 0.211036216759968 eV
   minimum distance = 2.62769776240643 Angstroms
   sigma value = 105

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

Energy: 0.011786800565038546
Energy: 0.011786800567831133
Energy: 0.011786800570267219
Energy: 0.011786800569217522
Energy: 0.18274837917420136
Energy: 0.18274837917558776
Energy: 0.011786800572703307
Energy: 0.18274837917210196
Energy: 0.18274837917350817
Energy: 0.011786800573416308
Energy: 0.7679120443587241
Energy: 0.7679120443524654
Energy: 0.011786800572010111
Energy: 0.7679120447057575
Energy: 0.7679120443597738
Energy: 0.011786800573416308
Energy: 0.18274837917315165
Energy: 0.18274837917279516
Energy: 0.011786800569574023
Energy: 0.18274837917525102
Energy: 0.18274837917384484
Energy: 0.011786800570623718
Energy: 0.011786800569930525
Energy: 0.011786800569930525
Energy: 0.011786800567831133
Energy: 0.18274837916966585
Energy: 0.18274837917245845
Energy: 0.011786800568524328
Energy: 0.18274837917420136
Energy: 0.1827483791686162
   minimum gb energy = 0.011786800565038546 eV
   minimum distance = 2.83238253523043 Angstroms
   sigma value = 1