model_name=EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
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=4.049696564674378
cohesive_energy=3.3687229668997767
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.01035277798685909
Energy: 0.01035277798883049
Energy: 0.010352777987830906
Energy: 0.010352777987358881
Energy: 0.01035277798538748
Energy: 0.01035277798883049
Energy: 0.010352777987358881
Energy: 0.010352777988330699
Energy: 0.010352777988330699
Energy: 0.010352777989302517
Energy: 0.01035277798883049
Energy: 0.010352777988330699
Energy: 0.01035277798685909
Energy: 0.01035277798685909
Energy: 0.010352777987358881
Energy: 0.31669974238336
Energy: 0.010352777987830906
Energy: 0.010352777987358881
Energy: 0.010352777986387065
Energy: 0.010352777986387065
Energy: 0.010352777993217552
Energy: 0.010352777987830906
Energy: 0.010352777987358881
Energy: 0.010352777987830906
Energy: 0.01035277798883049
Energy: 0.010352777991246152
Energy: 0.010352777988330699
Energy: 0.010352777990774126
Energy: 0.01035277798883049
Energy: 0.010352777987358881
   minimum gb energy = 0.01035277798538748 eV
   minimum distance = 2.86344008176785 Angstroms
   sigma value = 1

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

Energy: 0.3389557755695198
Energy: 0.28335055205654935
Energy: 0.2833378953904843
Energy: 0.30008725297473315
Energy: 0.28308758689269414
Energy: 0.28308807578766876
Energy: 0.3078238401395175
Energy: 0.286186366391654
Energy: 0.28618626279735376
Energy: 0.3106848192471352
Energy: 0.2755437831918694
Energy: 0.27554269886051874
Energy: 0.31378195732141784
Energy: 0.28308628193127566
Energy: 0.28308702594801427
Energy: 0.29469477063223876
Energy: 0.2894806405514008
Energy: 0.28948059499540474
Energy: 0.30440752818314
Energy: 0.28308718336926675
Energy: 0.2830870097576786
Energy: 0.30440721249974184
Energy: 0.2793662849259749
Energy: 0.2793668435685486
Energy: 0.3141796385537697
Energy: 0.27856994228791915
Energy: 0.2785698600206881
Energy: 0.3078241499668054
Energy: 0.28948069625512163
Energy: 0.2894806035061432
   minimum gb energy = 0.27554269886051874 eV
   minimum distance = 2.67613940593876 Angstroms
   sigma value = 113

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

Energy: 0.3508436262029638
Energy: 0.296561073983752
Energy: 0.2965615348572343
Energy: 0.3041731160407148
Energy: 0.2978067149447424
Energy: 0.297806734339859
Energy: 0.30023711014638044
Energy: 0.2934124943002098
Energy: 0.2934026751895278
Energy: 0.3058207922243953
Energy: 0.29601738086201707
Energy: 0.2960175078577146
Energy: 0.29858354041695245
Energy: 0.2956480934232666
Energy: 0.29564807755359973
Energy: 0.32715866956489403
Energy: 0.29607305667588396
Energy: 0.296094042935807
Energy: 0.2995642320529189
Energy: 0.2933698224698661
Energy: 0.29336980892217024
Energy: 0.29586081383299206
Energy: 0.2960786995134836
Energy: 0.2960873048253452
Energy: 0.31276380848139546
Energy: 0.29336980743857005
Energy: 0.293370039386069
Energy: 0.3120536513840859
Energy: 0.30562758515074445
Energy: 0.30563090518557307
   minimum gb energy = 0.29336980743857005 eV
   minimum distance = 2.67035689602923 Angstroms
   sigma value = 197

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

Energy: 0.3525849631806356
Energy: 0.2985292287488348
Energy: 0.298529633471439
Energy: 0.31040353856729
Energy: 0.2984610147649647
Energy: 0.29845725245225085
Energy: 0.32477808484626797
Energy: 0.29828890193011576
Energy: 0.2982864571519893
Energy: 0.3188180316472131
Energy: 0.30182859327529826
Energy: 0.30181826792322686
Energy: 0.32514417199481693
Energy: 0.30515910288783327
Energy: 0.30516182183919854
Energy: 0.3092335990391417
Energy: 0.3056362902878691
Energy: 0.3056363386502846
Energy: 0.31152514292900946
Energy: 0.30515900249908434
Energy: 0.3051593169634952
Energy: 0.3259086751791762
Energy: 0.3019151009294625
Energy: 0.3019152258551256
Energy: 0.3260998498316994
Energy: 0.30508961182208844
Energy: 0.3050891408574653
Energy: 0.30675841915216556
Energy: 0.3054222535499763
Energy: 0.30542224824697034
   minimum gb energy = 0.2982864571519893 eV
   minimum distance = 2.66323347236991 Angstroms
   sigma value = 169

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

Energy: 0.34277870568779045
Energy: 0.31000757951278995
Energy: 0.3100108373662057
Energy: 0.3285151353058181
Energy: 0.3049730636462279
Energy: 0.30497337251603596
Energy: 0.34407335848462256
Energy: 0.30773269691561367
Energy: 0.30773167465653045
Energy: 0.31894331516750896
Energy: 0.30994699316606644
Energy: 0.309947064699754
Energy: 0.3351487930175065
Energy: 0.31484851756545007
Energy: 0.3148489144590577
Energy: 0.33736807438854877
Energy: 0.3144488974197471
Energy: 0.3144489829358063
Energy: 0.335150534729939
Energy: 0.31484884262073864
Energy: 0.3149299250483748
Energy: 0.3087543925560887
Energy: 0.31001055443451303
Energy: 0.31001420387481676
Energy: 0.3285157187846109
Energy: 0.30162920292191947
Energy: 0.3016292107250163
Energy: 0.33008704877769757
Energy: 0.3148486473420636
Energy: 0.31484856460511645
   minimum gb energy = 0.30162920292191947 eV
   minimum distance = 2.65661780254591 Angstroms
   sigma value = 145

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

Energy: 0.36636660594310533
Energy: 0.3236827101613141
Energy: 0.3236841126730164
Energy: 0.34448667836530744
Energy: 0.31991662540365057
Energy: 0.3199149190423632
Energy: 0.3320568250260399
Energy: 0.31651166061270725
Energy: 0.31651175052772756
Energy: 0.3198131485196283
Energy: 0.33239672410107024
Energy: 0.3323732251607833
Energy: 0.3359285938515797
Energy: 0.32382030437715487
Energy: 0.323820304495667
Energy: 0.3253618685300732
Energy: 0.3238203975616477
Energy: 0.32382052376322024
Energy: 0.33592748207446793
Energy: 0.31716790270650036
Energy: 0.3171678527499193
Energy: 0.33593434587234006
Energy: 0.32602432339076476
Energy: 0.32601863517879703
Energy: 0.32614117019479005
Energy: 0.3165120715454724
Energy: 0.31651205651998415
Energy: 0.335926471777361
Energy: 0.32038492371750465
Energy: 0.32038491837747735
   minimum gb energy = 0.31651166061270725 eV
   minimum distance = 2.64357437327581 Angstroms
   sigma value = 61

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

Energy: 0.366665695983013
Energy: 0.3290051114494119
Energy: 0.329005031921904
Energy: 0.3431278149800253
Energy: 0.32900508889598956
Energy: 0.32900502221124833
Energy: 0.3483666437035235
Energy: 0.33467918715853673
Energy: 0.33467920359849995
Energy: 0.3402228249126759
Energy: 0.3235403760203796
Energy: 0.3235403563491968
Energy: 0.34981019418588205
Energy: 0.33901619853664866
Energy: 0.33901522679407065
Energy: 0.35392168866867274
Energy: 0.342652768795143
Energy: 0.34265278046018804
Energy: 0.33074796501434367
Energy: 0.34505163355961554
Energy: 0.3451154054637992
Energy: 0.3450835583111415
Energy: 0.338247387846918
Energy: 0.33824671938903467
Energy: 0.3475088202656126
Energy: 0.33497105423233037
Energy: 0.3349643551674812
Energy: 0.34981026716055064
Energy: 0.329005595404483
Energy: 0.3290055416270926
   minimum gb energy = 0.3235403563491968 eV
   minimum distance = 2.64349628949194 Angstroms
   sigma value = 101

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

Energy: 0.37110594291519994
Energy: 0.35144525935785254
Energy: 0.35144373104319543
Energy: 0.3587071910628801
Energy: 0.34647959172748627
Energy: 0.34648095996783235
Energy: 0.3471897314643764
Energy: 0.34648060056705143
Energy: 0.34648038703700684
Energy: 0.35510251985623587
Energy: 0.3464785761515589
Energy: 0.3464782124262167
Energy: 0.35670345329020703
Energy: 0.35007642862968913
Energy: 0.35007597350665715
Energy: 0.3536451306544859
Energy: 0.3500772508925573
Energy: 0.35007434219460726
Energy: 0.3811633943313983
Energy: 0.34689948754285616
Energy: 0.34690463770607155
Energy: 0.34713778669872636
Energy: 0.34700372446842687
Energy: 0.3470011879339825
Energy: 0.3582848832658071
Energy: 0.3468950748441561
Energy: 0.346897054238301
Energy: 0.3711037952524099
Energy: 0.3514467559064516
Energy: 0.35144326926048236
   minimum gb energy = 0.3464782124262167 eV
   minimum distance = 2.59715911857756 Angstroms
   sigma value = 81

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

Energy: 0.37533065990507436
Energy: 0.3604797474583888
Energy: 0.3604264676366561
Energy: 0.36197234158631597
Energy: 0.36042562127160377
Energy: 0.3604255564168081
Energy: 0.3619723787994737
Energy: 0.36523917886809626
Energy: 0.36523933228052124
Energy: 0.36555656303375167
Energy: 0.36015244147282155
Energy: 0.3601512258134475
Energy: 0.36555930708395773
Energy: 0.3654541199421588
Energy: 0.3654525151383341
Energy: 0.366071482000811
Energy: 0.36545378939810935
Energy: 0.36545253377673537
Energy: 0.3655551422691162
Energy: 0.3654563025099433
Energy: 0.36545511949426246
Energy: 0.36555392819286814
Energy: 0.3626321000718818
Energy: 0.3626258467615139
Energy: 0.36197233960936465
Energy: 0.3604248746909572
Energy: 0.36042610277913717
Energy: 0.3753284504711798
Energy: 0.35887879755601015
Energy: 0.35887858303610876
   minimum gb energy = 0.35887858303610876 eV
   minimum distance = 2.58326055380028 Angstroms
   sigma value = 1

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

Energy: 0.39756663224311584
Energy: 0.3704788969715614
Energy: 0.37047889372688464
Energy: 0.3728163202911579
Energy: 0.3784726221795699
Energy: 0.3784728389197392
Energy: 0.37567825237571245
Energy: 0.37252492939379955
Energy: 0.37252295212356545
Energy: 0.37112456121005627
Energy: 0.3700841608839299
Energy: 0.37008503919837793
Energy: 0.3833311347159173
Energy: 0.3818249448160406
Energy: 0.3818230076058496
Energy: 0.3856686702052491
Energy: 0.36780424401987943
Energy: 0.36778148830474655
Energy: 0.38767325274065534
Energy: 0.36991432804284424
Energy: 0.36991542618525197
Energy: 0.37193437416367864
Energy: 0.3748570090340689
Energy: 0.37485756196726394
Energy: 0.37040443412764773
Energy: 0.37512987606282266
Energy: 0.3751391770612155
Energy: 0.3802194469363186
Energy: 0.37281737050812525
Energy: 0.3728209754333572
   minimum gb energy = 0.36778148830474655 eV
   minimum distance = 2.60353273301754 Angstroms
   sigma value = 229

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

Energy: 0.3861573147121784
Energy: 0.37238370888402755
Energy: 0.3723839208493099
Energy: 0.38003780816747074
Energy: 0.3851524498249493
Energy: 0.3851494413501308
Energy: 0.368227782892306
Energy: 0.37292543821207574
Energy: 0.3729264195244058
Energy: 0.3611473616956633
Energy: 0.37116773645982787
Energy: 0.37116801959255413
Energy: 0.37019531272892875
Energy: 0.38035227169696795
Energy: 0.380142990181357
Energy: 0.3668196619866025
Energy: 0.37132814895554384
Energy: 0.37132937173232466
Energy: 0.36666961450339386
Energy: 0.3824014936473481
Energy: 0.3823992138750801
Energy: 0.37290126695739484
Energy: 0.3713230153698987
Energy: 0.371323886660847
Energy: 0.3611471805116754
Energy: 0.3713237151798199
Energy: 0.3713257366508051
Energy: 0.3800393912094455
Energy: 0.3721114803130884
Energy: 0.3721114380334674
   minimum gb energy = 0.3611471805116754 eV
   minimum distance = 2.58506104642958 Angstroms
   sigma value = 25

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

Energy: 0.4041997355558327
Energy: 0.3790388737777011
Energy: 0.37903916082464884
Energy: 0.37643624023114014
Energy: 0.3835698952038142
Energy: 0.38357277671290735
Energy: 0.38106630633872457
Energy: 0.38858161870072006
Energy: 0.3885774080029548
Energy: 0.37074896821540376
Energy: 0.3826012442051875
Energy: 0.38241870555727286
Energy: 0.3809533209178605
Energy: 0.3790408700460111
Energy: 0.37904209590576
Energy: 0.3992141335612168
Energy: 0.38258457091947756
Energy: 0.3825786172177607
Energy: 0.37454682231367714
Energy: 0.3787073259929052
Energy: 0.3787014370278967
Energy: 0.37785660005190946
Energy: 0.378181027009036
Energy: 0.3781809186561423
Energy: 0.3790141101803126
Energy: 0.3851233784997122
Energy: 0.3851289121671359
Energy: 0.3769012179762341
Energy: 0.39022876313484345
Energy: 0.3902300236569558
   minimum gb energy = 0.37074896821540376 eV
   minimum distance = 2.57956561974868 Angstroms
   sigma value = 173

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

Energy: 0.3994546451483055
Energy: 0.394451025097123
Energy: 0.3944563813963507
Energy: 0.37031125254665237
Energy: 0.38261318227160607
Energy: 0.38261626971545853
Energy: 0.4199751064900363
Energy: 0.3817547340129635
Energy: 0.3817551314760727
Energy: 0.39452988407411194
Energy: 0.38812161530722017
Energy: 0.3881250754854546
Energy: 0.3824533199287471
Energy: 0.3904347115104505
Energy: 0.3904344584237534
Energy: 0.38343447277716736
Energy: 0.3726374789679322
Energy: 0.3726374640900697
Energy: 0.3694060505631966
Energy: 0.39003891680270114
Energy: 0.39003560890033717
Energy: 0.37897039389966924
Energy: 0.37862933392820874
Energy: 0.378629320470107
Energy: 0.40389750970454447
Energy: 0.38351698908284854
Energy: 0.3835203504257097
Energy: 0.3755169239517501
Energy: 0.3881134349722532
Energy: 0.38811092427911476
   minimum gb energy = 0.3694060505631966 eV
   minimum distance = 2.55234138182637 Angstroms
   sigma value = 9

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

Energy: 0.408847109434072
Energy: 0.39753656723503755
Energy: 0.39752456176995693
Energy: 0.39123543820404844
Energy: 0.3875022959505178
Energy: 0.38750198249538237
Energy: 0.39014861446123333
Energy: 0.38446546648144403
Energy: 0.38446675703825106
Energy: 0.4173139783492953
Energy: 0.39773215450625243
Energy: 0.39773089963277264
Energy: 0.3821021440668115
Energy: 0.3844669226562776
Energy: 0.3844665806423371
Energy: 0.40918622038833374
Energy: 0.3821031450607603
Energy: 0.38210200383218634
Energy: 0.3792508849684146
Energy: 0.4008473159571303
Energy: 0.40085264146453164
Energy: 0.4289019239283587
Energy: 0.37975946958633366
Energy: 0.3797594939832352
Energy: 0.38210470796178886
Energy: 0.40039091505888935
Energy: 0.4003909577872077
Energy: 0.4379093890862718
Energy: 0.3827137124300388
Energy: 0.38271378710574827
   minimum gb energy = 0.3792508849684146 eV
   minimum distance = 2.55065205678252 Angstroms
   sigma value = 31

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

Energy: 0.3858097213258413
Energy: 0.3804259615819762
Energy: 0.38139284946265334
Energy: 0.37706658889355876
Energy: 0.38110690868485964
Energy: 0.3811069100729577
Energy: 0.4370974011417671
Energy: 0.3933836707373965
Energy: 0.39338356207829833
Energy: 0.38235499088902836
Energy: 0.38356309368777464
Energy: 0.38356309434111385
Energy: 0.38235499087752767
Energy: 0.3933834872880474
Energy: 0.39338418445573464
Energy: 0.37588400690768753
Energy: 0.382511863544595
Energy: 0.38258200535543585
Energy: 0.3737217397869804
Energy: 0.38257903475462657
Energy: 0.38255819921096273
Energy: 0.3740499000286742
Energy: 0.3758848176277537
Energy: 0.3758848961234257
Energy: 0.39122619382051876
Energy: 0.3933839805433095
Energy: 0.39338362133704613
Energy: 0.39122639605748116
Energy: 0.3933827431350451
Energy: 0.3933851034756985
   minimum gb energy = 0.3737217397869804 eV
   minimum distance = 2.58228203158461 Angstroms
   sigma value = 25

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

Energy: 0.41296330981585244
Energy: 0.3964878725844904
Energy: 0.3964876933480466
Energy: 0.38858777857637966
Energy: 0.40893191838872855
Energy: 0.4089330576980308
Energy: 0.3885870445438771
Energy: 0.40893085511092603
Energy: 0.40893145065902187
Energy: 0.39308666656810975
Energy: 0.39648774748927906
Energy: 0.3964878404781797
Energy: 0.3885863288532014
Energy: 0.4057338604679615
Energy: 0.4057402852704152
Energy: 0.388587320471501
Energy: 0.4126995522455649
Energy: 0.41270104701495774
Energy: 0.3859173374583678
Energy: 0.39648800249416366
Energy: 0.3964877220069143
Energy: 0.39201533718329207
Energy: 0.40495498350504194
Energy: 0.4049527495724121
Energy: 0.3885873752179427
Energy: 0.3911725794034694
Energy: 0.39117250102308765
Energy: 0.3845158969246403
Energy: 0.39648769006437157
Energy: 0.39648801461494837
   minimum gb energy = 0.3845158969246403 eV
   minimum distance = 2.58876507151842 Angstroms
   sigma value = 205

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

Energy: 0.41961872730016947
Energy: 0.3992122387857449
Energy: 0.39921168330052575
Energy: 0.4014723139397916
Energy: 0.41415763600618594
Energy: 0.4141562986946944
Energy: 0.4018452525448586
Energy: 0.40630464038055675
Energy: 0.40630054693035306
Energy: 0.3890831211740325
Energy: 0.39923939051303814
Energy: 0.399240304387501
Energy: 0.3879692721904916
Energy: 0.4060313194348878
Energy: 0.40603141911858753
Energy: 0.4534606836625345
Energy: 0.38908170946176873
Energy: 0.3890784877765509
Energy: 0.40235409840304365
Energy: 0.394068264564231
Energy: 0.39406956507193686
Energy: 0.3903020804026659
Energy: 0.39030284070235566
Energy: 0.390041021374177
Energy: 0.435537756486751
Energy: 0.39699991513809185
Energy: 0.3969816914812636
Energy: 0.38815995879987575
Energy: 0.40952314377957727
Energy: 0.4095232345300437
   minimum gb energy = 0.3879692721904916 eV
   minimum distance = 2.55855138610913 Angstroms
   sigma value = 85

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

Energy: 0.4205371251239168
Energy: 0.39111798024697897
Energy: 0.3911179622081392
Energy: 0.38224764392955324
Energy: 0.3911179584092304
Energy: 0.3911180337759105
Energy: 0.3826199375851013
Energy: 0.3971046402304301
Energy: 0.3971049068309084
Energy: 0.3813970435820448
Energy: 0.40671515351818777
Energy: 0.4067151700149342
Energy: 0.3842608319722413
Energy: 0.41393892983383734
Energy: 0.41392486495822056
Energy: 0.41125838706495776
Energy: 0.3987970481869069
Energy: 0.39879681830044517
Energy: 0.42646899761879786
Energy: 0.3867022170635202
Energy: 0.38670287612638216
Energy: 0.42074911415047134
Energy: 0.4067142757766208
Energy: 0.406715832189088
Energy: 0.421057808286076
Energy: 0.39573077592580463
Energy: 0.39573109770273124
Energy: 0.38074911449168247
Energy: 0.3957303793386849
Energy: 0.39572963186273524
   minimum gb energy = 0.38074911449168247 eV
   minimum distance = 2.54044546713029 Angstroms
   sigma value = 89

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

Energy: 0.37689851007900044
Energy: 0.408762592900296
Energy: 0.4087620710937938
Energy: 0.43979987380984126
Energy: 0.3641036920533054
Energy: 0.3641036788722178
Energy: 0.5082409235028256
Energy: 0.4103911975744512
Energy: 0.4103911191028478
Energy: 0.3633064237145023
Energy: 0.39602847861157625
Energy: 0.3960291682949772
Energy: 0.43508290192424404
Energy: 0.4087621572008476
Energy: 0.40876200024815884
Energy: 0.363306423697909
Energy: 0.38055231813898643
Energy: 0.38006326909196636
Energy: 0.43708705882203264
Energy: 0.4087621230741123
Energy: 0.40876216504953256
Energy: 0.36410371416826903
Energy: 0.38054171226977057
Energy: 0.38077417588750295
Energy: 0.36330642380573847
Energy: 0.4087629047952172
Energy: 0.40876226813349903
Energy: 0.3662125315273096
Energy: 0.363306281231845
Energy: 0.36330628129226505
   minimum gb energy = 0.363306281231845 eV
   minimum distance = 2.63416921834618 Angstroms
   sigma value = 17

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

Energy: 0.4107706374742836
Energy: 0.38812825908772985
Energy: 0.3881296782101509
Energy: 0.376703313939531
Energy: 0.4137130305465225
Energy: 0.41371303200711856
Energy: 0.4006134023343064
Energy: 0.40454289568943025
Energy: 0.40454186970747275
Energy: 0.40592064992498555
Energy: 0.39005545350830345
Energy: 0.3900556769114055
Energy: 0.40013477431383787
Energy: 0.4213725068368821
Energy: 0.4213810086913252
Energy: 0.4133134220526447
Energy: 0.40948096557007185
Energy: 0.409480468873859
Energy: 0.4026566158737895
Energy: 0.3881301657824669
Energy: 0.38813026482484553
Energy: 0.37681109365108195
Energy: 0.3797449377793539
Energy: 0.3797479950313728
Energy: 0.4194901907473514
Energy: 0.4105348483066425
Energy: 0.4105377109277782
Energy: 0.3893585164822469
Energy: 0.3900557167310015
Energy: 0.39005573085439027
   minimum gb energy = 0.376703313939531 eV
   minimum distance = 2.59040638387861 Angstroms
   sigma value = 241

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

Energy: 0.4149479483703793
Energy: 0.3844196004327555
Energy: 0.38441982009269327
Energy: 0.38158704482004574
Energy: 0.4150173750258717
Energy: 0.4150167586159347
Energy: 0.45695891699867763
Energy: 0.3941220938742584
Energy: 0.39412116450330503
Energy: 0.38158708802441355
Energy: 0.3844287052800965
Energy: 0.38442602876424736
Energy: 0.3794324854966521
Energy: 0.37642755013583995
Energy: 0.3764276143569654
Energy: 0.464022187072172
Energy: 0.40413932103950095
Energy: 0.4041383279388375
Energy: 0.3982867683643023
Energy: 0.40986930296256063
Energy: 0.40986982728425514
Energy: 0.38789946202734993
Energy: 0.3844263268511211
Energy: 0.38442528603359716
Energy: 0.37943249470030777
Energy: 0.4041463650958822
Energy: 0.4041431084543002
Energy: 0.45271754919444696
Energy: 0.37762121639820156
Energy: 0.3776212352857456
   minimum gb energy = 0.37642755013583995 eV
   minimum distance = 2.57385350142088 Angstroms
   sigma value = 65

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

Energy: 0.3979756622537962
Energy: 0.3783859102202916
Energy: 0.37838595090479665
Energy: 0.3710613548092162
Energy: 0.3943158627618762
Energy: 0.3943160298651357
Energy: 0.37106168547239377
Energy: 0.3964064704268926
Energy: 0.39640522019583585
Energy: 0.407621495113628
Energy: 0.3717203137794852
Energy: 0.37171902482315056
Energy: 0.4739152310679853
Energy: 0.3979742855449445
Energy: 0.3979745058038799
Energy: 0.47615481769461543
Energy: 0.4258661617571092
Energy: 0.4258668627883862
Energy: 0.37106087285331985
Energy: 0.3964034029187385
Energy: 0.39640434295229066
Energy: 0.40397584149373705
Energy: 0.3986074182304066
Energy: 0.3986074200118106
Energy: 0.37534531003583943
Energy: 0.3736692599577822
Energy: 0.3736661621952645
Energy: 0.3710615583524463
Energy: 0.4220724384263278
Energy: 0.4220717691986843
   minimum gb energy = 0.37106087285331985 eV
   minimum distance = 2.589052220019 Angstroms
   sigma value = 53

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

Energy: 0.39501948959176536
Energy: 0.36892240611293203
Energy: 0.36892242850930446
Energy: 0.43324905302598465
Energy: 0.4005621247135192
Energy: 0.4005627289258594
Energy: 0.4001120753164392
Energy: 0.3935371098795861
Energy: 0.39353736348495955
Energy: 0.3637787505688363
Energy: 0.4100271089700457
Energy: 0.4100280042896955
Energy: 0.4896012341819925
Energy: 0.4300331262097674
Energy: 0.4300223004877905
Energy: 0.36378098783607776
Energy: 0.41001698159774164
Energy: 0.4100288474247729
Energy: 0.4001120767219211
Energy: 0.3935370615460414
Energy: 0.3935371167684667
Energy: 0.40199698384025384
Energy: 0.4005650129948471
Energy: 0.40056456348904923
Energy: 0.37591947722800145
Energy: 0.36892241986075763
Energy: 0.36892241313423546
Energy: 0.4517215228334451
Energy: 0.40223387223507084
Energy: 0.4022331239559497
   minimum gb energy = 0.3637787505688363 eV
   minimum distance = 2.61325034043895 Angstroms
   sigma value = 109

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

Energy: 0.41747369078174357
Energy: 0.39435062195235343
Energy: 0.39435069793005106
Energy: 0.37070211020381216
Energy: 0.39508175017104
Energy: 0.3950824190484453
Energy: 0.38482498031498635
Energy: 0.39972706151059795
Energy: 0.3997261148946766
Energy: 0.39071443917100157
Energy: 0.38655897665754685
Energy: 0.38656122982825175
Energy: 0.47581500684962846
Energy: 0.4246856198863389
Energy: 0.4246813662816351
Energy: 0.3907144326768617
Energy: 0.3865578362096512
Energy: 0.3865627160807626
Energy: 0.38482527782789333
Energy: 0.3997276185994312
Energy: 0.39972592251716754
Energy: 0.37069283073917547
Energy: 0.39508110300406807
Energy: 0.39508138286359495
Energy: 0.4174723679189195
Energy: 0.3943508730316616
Energy: 0.39435057772994686
Energy: 0.37069972614782787
Energy: 0.39508796571975174
Energy: 0.39508276169128886
   minimum gb energy = 0.37069283073917547 eV
   minimum distance = 2.58688906186547 Angstroms
   sigma value = 185

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

Energy: 0.3335009536651647
Energy: 0.33350114937050457
Energy: 0.33350113787662095
Energy: 0.4247584680127672
Energy: 0.347295927784716
Energy: 0.34729546639265924
Energy: 0.32952323131538974
Energy: 0.3642919335617597
Energy: 0.3642930172744689
Energy: 0.4090247009050357
Energy: 0.3472952838556339
Energy: 0.34729532062810303
Energy: 0.33350179887429127
Energy: 0.3335015898986783
Energy: 0.33350156617869214
Energy: 0.42475846242875526
Energy: 0.347295285335455
Energy: 0.3472954996278382
Energy: 0.3295235550848566
Energy: 0.3642918430207947
Energy: 0.3642915005963238
Energy: 0.40905383212758617
Energy: 0.3612616023135578
Energy: 0.3612615759413854
Energy: 0.33350125068093134
Energy: 0.3335015981178774
Energy: 0.33350113868445697
Energy: 0.4247584848589643
Energy: 0.3612586595152315
Energy: 0.36125875205343166
   minimum gb energy = 0.32952323131538974 eV
   minimum distance = 2.62691239949804 Angstroms
   sigma value = 9

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

Energy: 0.4149891185520506
Energy: 0.39253439870152124
Energy: 0.39253508094881373
Energy: 0.4835531796315235
Energy: 0.39346017886099444
Energy: 0.39345922280397694
Energy: 0.3943717834369351
Energy: 0.4051408405496166
Energy: 0.40514181228479645
Energy: 0.40247784349721905
Energy: 0.4092704586973072
Energy: 0.4092779413276957
Energy: 0.4005305698987645
Energy: 0.3953324966173147
Energy: 0.39533354537706417
Energy: 0.39381071588945515
Energy: 0.40311340317026
Energy: 0.4031128298341854
Energy: 0.5126547109877047
Energy: 0.41235332919294615
Energy: 0.412351612541545
Energy: 0.41016091479142847
Energy: 0.4092321364466595
Energy: 0.40923834278892096
Energy: 0.4873707656937762
Energy: 0.3983023772837366
Energy: 0.39830237965014
Energy: 0.4009497298981791
Energy: 0.39142103582586835
Energy: 0.39142387135486206
   minimum gb energy = 0.39142103582586835 eV
   minimum distance = 2.55716983533495 Angstroms
   sigma value = 221

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

Energy: 0.4245064818446612
Energy: 0.40800655256895835
Energy: 0.40800944811439704
Energy: 0.3744807939030982
Energy: 0.3963217367303092
Energy: 0.3963225647801235
Energy: 0.36986264597283536
Energy: 0.39858042733247395
Energy: 0.3985796251189258
Energy: 0.36899905239870556
Energy: 0.3929062589759286
Energy: 0.3928783864681189
Energy: 0.41143392253952876
Energy: 0.4124000337575336
Energy: 0.4124000281136069
Energy: 0.46671293476838394
Energy: 0.40800992732217245
Energy: 0.4080052642713268
Energy: 0.5082439369710455
Energy: 0.37312967284625154
Energy: 0.3731326709417742
Energy: 0.45634854400151437
Energy: 0.36899794737673436
Energy: 0.36899876182338287
Energy: 0.46657038090383224
Energy: 0.3985803908894303
Energy: 0.398580584950886
Energy: 0.44350969010035163
Energy: 0.4047045251815693
Energy: 0.4047070387659279
   minimum gb energy = 0.36899794737673436 eV
   minimum distance = 2.58441942863088 Angstroms
   sigma value = 137

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

Energy: 0.3903479385966208
Energy: 0.3859603696651707
Energy: 0.3859625989032001
Energy: 0.5038155683050518
Energy: 0.3859612219035506
Energy: 0.3859596332624618
Energy: 0.4418542043080328
Energy: 0.3859595085738989
Energy: 0.3859674564622879
Energy: 0.3823842900408813
Energy: 0.421926371712374
Energy: 0.4219227867039778
Energy: 0.44225679326507716
Energy: 0.382383902795584
Energy: 0.3823850052126176
Energy: 0.3856134892502428
Energy: 0.40703766334071784
Energy: 0.4070318040453854
Energy: 0.5144647963419132
Energy: 0.45474412319577207
Energy: 0.45474393529050233
Energy: 0.38561212945676776
Energy: 0.40801956721453814
Energy: 0.4080203040208968
Energy: 0.4574842667904785
Energy: 0.40442913071009806
Energy: 0.40442995009581956
Energy: 0.38238662420745934
Energy: 0.4044379982830825
Energy: 0.4044294739457969
   minimum gb energy = 0.382383902795584 eV
   minimum distance = 2.57863285829957 Angstroms
   sigma value = 73

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

Energy: 0.4327611319221669
Energy: 0.38953427074170704
Energy: 0.3895359759130533
Energy: 0.40601468910361227
Energy: 0.4118792297149817
Energy: 0.41189211437009476
Energy: 0.4050893752077093
Energy: 0.4085254056289524
Energy: 0.4085132373605342
Energy: 0.38814858843370487
Energy: 0.38953479942406954
Energy: 0.3895469936649518
Energy: 0.4256470323660872
Energy: 0.4099728011783117
Energy: 0.40997749225762087
Energy: 0.38422215362236845
Energy: 0.3861908820337907
Energy: 0.38619413427963784
Energy: 0.3839962980593846
Energy: 0.38953426217024245
Energy: 0.38953537331512517
Energy: 0.40274761651367963
Energy: 0.40568111412693414
Energy: 0.4056736040551656
Energy: 0.40396075842800494
Energy: 0.3861960299627028
Energy: 0.38619148342216025
Energy: 0.38399344000321184
Energy: 0.4060560898743827
Energy: 0.40605352531814976
   minimum gb energy = 0.38399344000321184 eV
   minimum distance = 2.57571482147493 Angstroms
   sigma value = 97

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

Energy: 0.4174480912179588
Energy: 0.4028796838880073
Energy: 0.4028767203570027
Energy: 0.38932834913631725
Energy: 0.3890770417834477
Energy: 0.3890771512949606
Energy: 0.3898430393964834
Energy: 0.4102718689145214
Energy: 0.4102718466524705
Energy: 0.3884849702818611
Energy: 0.3882919939065191
Energy: 0.38829084199486646
Energy: 0.5034922912030463
Energy: 0.3842635845352183
Energy: 0.38426344062879725
Energy: 0.4412317216108532
Energy: 0.3852891887789287
Energy: 0.38528906144545005
Energy: 0.4498643038159849
Energy: 0.3851663368207999
Energy: 0.38516628340114223
Energy: 0.4208612186819421
Energy: 0.38426281289327907
Energy: 0.38426271609154455
Energy: 0.417442740511793
Energy: 0.3914261603558936
Energy: 0.3914261910889921
Energy: 0.38784128610564367
Energy: 0.3821591279751089
Energy: 0.38215909378881485
   minimum gb energy = 0.38215909378881485 eV
   minimum distance = 2.57664488171813 Angstroms
   sigma value = 7

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

Energy: 0.4215170013158561
Energy: 0.40599367480627624
Energy: 0.40600072003762544
Energy: 0.3924692469627972
Energy: 0.41774393337387333
Energy: 0.4177301559670943
Energy: 0.4682554753712327
Energy: 0.3925537900564963
Energy: 0.392553119545521
Energy: 0.411484486497732
Energy: 0.4090225100312233
Energy: 0.4090243038561151
Energy: 0.38958435770839
Energy: 0.4150315437226318
Energy: 0.4150335445851671
Energy: 0.3928499165471958
Energy: 0.4025390322587741
Energy: 0.40253908081364875
Energy: 0.4030531097832021
Energy: 0.4078562146880314
Energy: 0.4078183544496854
Energy: 0.5002766756828742
Energy: 0.39673004061649175
Energy: 0.39588334606142733
Energy: 0.40392212044479237
Energy: 0.40787763336222543
Energy: 0.40787797958439037
Energy: 0.3929498907617981
Energy: 0.4010686231524771
Energy: 0.40107269249770744
   minimum gb energy = 0.38958435770839 eV
   minimum distance = 2.61041099133092 Angstroms
   sigma value = 169

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

Energy: 0.4088273714604342
Energy: 0.40990710742373304
Energy: 0.4099064814018628
Energy: 0.41377366473287475
Energy: 0.40987528050096234
Energy: 0.40987534166779793
Energy: 0.4431736624861625
Energy: 0.4081015300414262
Energy: 0.40810162272040224
Energy: 0.39003152636617283
Energy: 0.4080505081207264
Energy: 0.4080448225624961
Energy: 0.4074774267656165
Energy: 0.40747134302979904
Energy: 0.40747133518814976
Energy: 0.45235594595580025
Energy: 0.39472572685853047
Energy: 0.39472603925660754
Energy: 0.392647770527588
Energy: 0.4099063286060358
Energy: 0.4099073889087609
Energy: 0.3924076800751795
Energy: 0.40215447709243
Energy: 0.4021549070637655
Energy: 0.4988070766196638
Energy: 0.41044205104175246
Energy: 0.4104410957192074
Energy: 0.3900315156876779
Energy: 0.40454191433997605
Energy: 0.4045407875404576
   minimum gb energy = 0.3900315156876779 eV
   minimum distance = 2.6091059688488 Angstroms
   sigma value = 29

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

Energy: 0.4391924079389785
Energy: 0.41393717301907745
Energy: 0.4139386908535496
Energy: 0.40576757431681326
Energy: 0.41889488120501883
Energy: 0.41889488055429525
Energy: 0.4443294595080278
Energy: 0.4040086867397289
Energy: 0.4040098062865479
Energy: 0.40908787452007117
Energy: 0.4241173435062542
Energy: 0.42409665938570185
Energy: 0.40103792030634716
Energy: 0.4128025869868772
Energy: 0.41279842763031754
Energy: 0.43032370414922494
Energy: 0.40505441008982096
Energy: 0.40505163882243633
Energy: 0.414748522498738
Energy: 0.4118943198935435
Energy: 0.41189014782789035
Energy: 0.40536731824247685
Energy: 0.41348450738711984
Energy: 0.41348664823218034
Energy: 0.41802708672788363
Energy: 0.39958975486831144
Energy: 0.39958929353317985
Energy: 0.46340480356047925
Energy: 0.3989636730771413
Energy: 0.398963752038164
   minimum gb energy = 0.3989636730771413 eV
   minimum distance = 2.61265444065379 Angstroms
   sigma value = 97

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

Energy: 0.40889341231421217
Energy: 0.4106343540246098
Energy: 0.41063419703984694
Energy: 0.4031948902175338
Energy: 0.4110558518080749
Energy: 0.4110573962201259
Energy: 0.4110625091226931
Energy: 0.401585741533666
Energy: 0.4015854912547709
Energy: 0.399399395890743
Energy: 0.4118814932542515
Energy: 0.411882768034314
Energy: 0.4826278808323982
Energy: 0.39244190121934697
Energy: 0.3924415128503695
Energy: 0.4354699578422582
Energy: 0.4027637929395495
Energy: 0.4027633870564433
Energy: 0.3968245876994546
Energy: 0.40276350490203083
Energy: 0.40276471064877173
Energy: 0.4021701620738176
Energy: 0.40254131785087716
Energy: 0.4025420992544008
Energy: 0.399884336900751
Energy: 0.411170477621218
Energy: 0.4111704774538539
Energy: 0.39815313648079054
Energy: 0.4039918708832424
Energy: 0.4039909000903478
   minimum gb energy = 0.3924415128503695 eV
   minimum distance = 2.61157415327853 Angstroms
   sigma value = 73

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

Energy: 0.4109816987023551
Energy: 0.41277768116416175
Energy: 0.41277718994619345
Energy: 0.44401480975546037
Energy: 0.4004945317360331
Energy: 0.4004953817230242
Energy: 0.39989740852939637
Energy: 0.41282987140345856
Energy: 0.412829562799408
Energy: 0.4751283041868541
Energy: 0.39346593303521654
Energy: 0.3934659431110426
Energy: 0.4059562199775766
Energy: 0.41253939018682984
Energy: 0.4125397853761369
Energy: 0.4158673452970482
Energy: 0.396095117600092
Energy: 0.3960980113166483
Energy: 0.4008893886267848
Energy: 0.40528569025485806
Energy: 0.40527771089076003
Energy: 0.4052391302094833
Energy: 0.39922934553768347
Energy: 0.3992333008989237
Energy: 0.4057523315311134
Energy: 0.40511770146169623
Energy: 0.40511628618995627
Energy: 0.4249811559036714
Energy: 0.3961000834465214
Energy: 0.39609353820740045
   minimum gb energy = 0.39346593303521654 eV
   minimum distance = 2.61156579703624 Angstroms
   sigma value = 205

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

Energy: 0.4129357325421146
Energy: 0.41420699419776835
Energy: 0.4142059699753576
Energy: 0.4061509895975906
Energy: 0.41420601922515
Energy: 0.41420586919676594
Energy: 0.4036391660010247
Energy: 0.41557750390062437
Energy: 0.4155856483977505
Energy: 0.40377634851347904
Energy: 0.39843919485433854
Energy: 0.39843793050087106
Energy: 0.4061448701990921
Energy: 0.39641474591180076
Energy: 0.3964158438464455
Energy: 0.41933465793425156
Energy: 0.3964141597913377
Energy: 0.3964153333510363
Energy: 0.4505847532553715
Energy: 0.40333636585833654
Energy: 0.4033406612825633
Energy: 0.4643690725360263
Energy: 0.4015995104090925
Energy: 0.4015975848569194
Energy: 0.41413349365301805
Energy: 0.40159945227784244
Energy: 0.4016016795962737
Energy: 0.42462081730060625
Energy: 0.39362127907196165
Energy: 0.39362129502535914
   minimum gb energy = 0.39362127907196165 eV
   minimum distance = 2.61435242764141 Angstroms
   sigma value = 137

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

Energy: 0.392647293415978
Energy: 0.3909883263718206
Energy: 0.3909883266258812
Energy: 0.39982708029875363
Energy: 0.37701989621623394
Energy: 0.37701999621504567
Energy: 0.40346293461022914
Energy: 0.3772383963217401
Energy: 0.3772384593228353
Energy: 0.3926469864645184
Energy: 0.3698249104076037
Energy: 0.36982490589051714
Energy: 0.39264684385054577
Energy: 0.3770197923143773
Energy: 0.3770198653742073
Energy: 0.39264683061118705
Energy: 0.3772384326540566
Energy: 0.37723848265150056
Energy: 0.39982708018823854
Energy: 0.37723876585026467
Energy: 0.377238426522829
Energy: 0.3926468756539792
Energy: 0.37701988398566677
Energy: 0.3770200143197253
Energy: 0.3926468339978161
Energy: 0.3770200979066256
Energy: 0.37701976741329357
Energy: 0.37784526918248773
Energy: 0.39182795418365146
Energy: 0.3918279539940374
   minimum gb energy = 0.36982490589051714 eV
   minimum distance = 2.66746383494825 Angstroms
   sigma value = 5

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

Energy: 0.40557879818612935
Energy: 0.399872218953758
Energy: 0.39987115966666703
Energy: 0.39627426813218264
Energy: 0.41139508271515873
Energy: 0.411405984849594
Energy: 0.3887820856656547
Energy: 0.4161277112941207
Energy: 0.4161278506745141
Energy: 0.39266580639432475
Energy: 0.39316511848833013
Energy: 0.393164402936933
Energy: 0.4157189463680649
Energy: 0.389753787239587
Energy: 0.38975402779122653
Energy: 0.4548116354002341
Energy: 0.3894310425469903
Energy: 0.38943115951703755
Energy: 0.3905768124937458
Energy: 0.4116260954791005
Energy: 0.41163908132083765
Energy: 0.3923852707124299
Energy: 0.3992858240110732
Energy: 0.39928145289600714
Energy: 0.38754148939264316
Energy: 0.3979942773808332
Energy: 0.3979942903887452
Energy: 0.39773762892656006
Energy: 0.4489400142474733
Energy: 0.4489388337676766
   minimum gb energy = 0.38754148939264316 eV
   minimum distance = 2.60424343007954 Angstroms
   sigma value = 289

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

Energy: 0.4023352686115733
Energy: 0.395075873751567
Energy: 0.39507672770190017
Energy: 0.3937554281712905
Energy: 0.3892521418209391
Energy: 0.3892524111913464
Energy: 0.42223018451985433
Energy: 0.3880913691116495
Energy: 0.38809333602204493
Energy: 0.3910275260599649
Energy: 0.40904382480296486
Energy: 0.4090448950167979
Energy: 0.38864712804737367
Energy: 0.3937564671807174
Energy: 0.393755441527994
Energy: 0.4254087360547404
Energy: 0.40981200670845663
Energy: 0.4098121938269643
Energy: 0.38409672558010677
Energy: 0.4148242912576229
Energy: 0.4148229447897333
Energy: 0.38898201351709794
Energy: 0.41426340724365757
Energy: 0.4142122234829489
Energy: 0.40087395693434547
Energy: 0.3965662707160625
Energy: 0.39656660063310173
Energy: 0.4018738118650031
Energy: 0.39119384736071433
Energy: 0.3911941220839611
   minimum gb energy = 0.38409672558010677 eV
   minimum distance = 2.58410361526783 Angstroms
   sigma value = 109

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

Energy: 0.3983301760731762
Energy: 0.3887797236567437
Energy: 0.3887805286364236
Energy: 0.39588317502546955
Energy: 0.38716103833775717
Energy: 0.38716101092964605
Energy: 0.39637116533454253
Energy: 0.3866361266261804
Energy: 0.38663611716282775
Energy: 0.3905555032762199
Energy: 0.39200991779962474
Energy: 0.3920099283237426
Energy: 0.39466086548586043
Energy: 0.4042883661527697
Energy: 0.40428622194483993
Energy: 0.43907181136156465
Energy: 0.3887799053764386
Energy: 0.3887796850333403
Energy: 0.38316462136078594
Energy: 0.38980279209701574
Energy: 0.38980273243395697
Energy: 0.38256216947071436
Energy: 0.39055763934194915
Energy: 0.390555211302364
Energy: 0.39336820764716995
Energy: 0.3920093229605443
Energy: 0.39200922135184274
Energy: 0.3795162449046002
Energy: 0.39413207046200904
Energy: 0.39413207916324033
   minimum gb energy = 0.3795162449046002 eV
   minimum distance = 2.57289412962736 Angstroms
   sigma value = 157

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

Energy: 0.40286455606486243
Energy: 0.4216766558593731
Energy: 0.42167607565343995
Energy: 0.3852755584339042
Energy: 0.3932285128995995
Energy: 0.3932284938787203
Energy: 0.37928502554747856
Energy: 0.39172531315639886
Energy: 0.39172529291669683
Energy: 0.37795857961136464
Energy: 0.41047132322758334
Energy: 0.41047132312652534
Energy: 0.43680145511980073
Energy: 0.3838339446472753
Energy: 0.3838340397373889
Energy: 0.45793555879489206
Energy: 0.37701017350850025
Energy: 0.3770120445196611
Energy: 0.43675616738481865
Energy: 0.3792849501590693
Energy: 0.37928514376141537
Energy: 0.37660122435286975
Energy: 0.38195196504863005
Energy: 0.3819519917179821
Energy: 0.3849327981824891
Energy: 0.38305649233414507
Energy: 0.3830577561531034
Energy: 0.37966452455505556
Energy: 0.38492081992760485
Energy: 0.3849203569150829
   minimum gb energy = 0.37660122435286975 eV
   minimum distance = 2.59236990117713 Angstroms
   sigma value = 53

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

Energy: 0.3986927056520742
Energy: 0.4123645268318123
Energy: 0.41236455050012366
Energy: 0.40301409295224644
Energy: 0.3890200452249105
Energy: 0.3890226852920106
Energy: 0.38157118278594515
Energy: 0.4192562668131836
Energy: 0.41925760006288726
Energy: 0.4205889506709771
Energy: 0.37756279357184147
Energy: 0.3775628215806345
Energy: 0.3744550837546733
Energy: 0.3817494987252009
Energy: 0.3817493659026706
Energy: 0.40859878461729404
Energy: 0.3854089563323428
Energy: 0.3854082893575832
Energy: 0.37445500745985033
Energy: 0.4077344764737276
Energy: 0.4077344094911347
Energy: 0.3799697987805433
Energy: 0.4070487342211978
Energy: 0.4070478637152382
Energy: 0.3797295419666171
Energy: 0.3784343482586833
Energy: 0.37843372230922995
Energy: 0.44401186120260383
Energy: 0.3854589253200147
Energy: 0.38546006484392537
   minimum gb energy = 0.37445500745985033 eV
   minimum distance = 2.56796049671452 Angstroms
   sigma value = 1

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

Energy: 0.41037525021517496
Energy: 0.39560172095504537
Energy: 0.3956016383621698
Energy: 0.39341456443432204
Energy: 0.3950314896142694
Energy: 0.39503136955415574
Energy: 0.36735922806193244
Energy: 0.38497679288667097
Energy: 0.3849816182777049
Energy: 0.38553527005862404
Energy: 0.38074219947156734
Energy: 0.3807415435769492
Energy: 0.4122280643144338
Energy: 0.3714264527993771
Energy: 0.37142669118726607
Energy: 0.36735857396117927
Energy: 0.44181883920524595
Energy: 0.4418189745915595
Energy: 0.4226173314455874
Energy: 0.38104596999781987
Energy: 0.38104780508225367
Energy: 0.36735910707249203
Energy: 0.41887542223278307
Energy: 0.41887811775123496
Energy: 0.3701459183854522
Energy: 0.3855333355210432
Energy: 0.38553304612622613
Energy: 0.3978689484517007
Energy: 0.3882835057042919
Energy: 0.38828507027381326
   minimum gb energy = 0.36735857396117927 eV
   minimum distance = 2.56438400931857 Angstroms
   sigma value = 3

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

Energy: 0.3925125154813645
Energy: 0.36313835565752317
Energy: 0.3631383560353295
Energy: 0.3531967688079643
Energy: 0.4079141767633043
Energy: 0.40791404878961207
Energy: 0.3555516571690615
Energy: 0.35361392160628247
Energy: 0.3536075475171382
Energy: 0.3531967840083134
Energy: 0.35360794693766645
Energy: 0.3536124942200602
Energy: 0.39246080464857486
Energy: 0.38286247263307105
Energy: 0.3828624733434461
Energy: 0.3802292204239959
Energy: 0.35587945905461565
Energy: 0.3558794707751082
Energy: 0.3715289618650685
Energy: 0.35361123550298057
Energy: 0.35361395715560434
Energy: 0.3924608975261605
Energy: 0.3558794583241455
Energy: 0.3558794602148535
Energy: 0.35319678246356445
Energy: 0.42413878138515126
Energy: 0.4241390442923062
Energy: 0.35555156774118035
Energy: 0.3536097010055393
Energy: 0.35360689653126487
   minimum gb energy = 0.3531967688079643 eV
   minimum distance = 2.61505003653957 Angstroms
   sigma value = 17

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

Energy: 0.40053681984990863
Energy: 0.38787899085179106
Energy: 0.38787852196720307
Energy: 0.36232864011081284
Energy: 0.3783383037479991
Energy: 0.3783377918299166
Energy: 0.36832800953113704
Energy: 0.38617225695704016
Energy: 0.38617245701851766
Energy: 0.4212986917191804
Energy: 0.3753422380844235
Energy: 0.3753422423917282
Energy: 0.4007312790458686
Energy: 0.3685566590326806
Energy: 0.3685573627102996
Energy: 0.3834162861399041
Energy: 0.39615969770656345
Energy: 0.3961627175426232
Energy: 0.39615959282230323
Energy: 0.375170264248641
Energy: 0.37517025915350943
Energy: 0.3610380359832892
Energy: 0.3935489294450354
Energy: 0.3935487698221047
Energy: 0.36454035363816917
Energy: 0.3735564086811294
Energy: 0.3735550519396834
Energy: 0.36357129696161056
Energy: 0.37618197490196986
Energy: 0.3761813699328042
   minimum gb energy = 0.3610380359832892 eV
   minimum distance = 2.57308810508597 Angstroms
   sigma value = 233

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

Energy: 0.3957358859430974
Energy: 0.37436448033994074
Energy: 0.37436442515236307
Energy: 0.3667523411537941
Energy: 0.3957181581525997
Energy: 0.3957177616117769
Energy: 0.3832510639820293
Energy: 0.378915180245729
Energy: 0.37891684988783386
Energy: 0.3807487320307013
Energy: 0.36737745277524464
Energy: 0.3673779421479847
Energy: 0.3675063995862865
Energy: 0.3916203553706648
Energy: 0.391619051855785
Energy: 0.37086015527109806
Energy: 0.3909283074344499
Energy: 0.39092881048163486
Energy: 0.36750651568031456
Energy: 0.39162214188658395
Energy: 0.3916222850038179
Energy: 0.44529474569577354
Energy: 0.37797938780082097
Energy: 0.3779792438545901
Energy: 0.3667521990948921
Energy: 0.3803565330885601
Energy: 0.38035715200971504
Energy: 0.3667525644853252
Energy: 0.4024308692506543
Energy: 0.4024303722676631
   minimum gb energy = 0.3667521990948921 eV
   minimum distance = 2.58511389993195 Angstroms
   sigma value = 89

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

Energy: 0.411622656301637
Energy: 0.3808019800025972
Energy: 0.38080157874948956
Energy: 0.39379733618702156
Energy: 0.37929681963719
Energy: 0.3792970459324311
Energy: 0.37031775029670755
Energy: 0.37977369782968606
Energy: 0.3797737836273999
Energy: 0.4014083999163531
Energy: 0.3659906221383043
Energy: 0.3659911010156287
Energy: 0.3604752141881884
Energy: 0.3969005200897648
Energy: 0.3969004251111478
Energy: 0.438348071247406
Energy: 0.36059956658291403
Energy: 0.36060073279521265
Energy: 0.3592749555261787
Energy: 0.374638639581432
Energy: 0.37463805895386454
Energy: 0.39574972355184934
Energy: 0.3678946618627
Energy: 0.3678949884380308
Energy: 0.35927708409671283
Energy: 0.3604185143072816
Energy: 0.3604198146396395
Energy: 0.43199861578869997
Energy: 0.36538517448475377
Energy: 0.36538251632326324
   minimum gb energy = 0.3592749555261787 eV
   minimum distance = 2.58664948534242 Angstroms
   sigma value = 85

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

Energy: 0.38842432693233364
Energy: 0.3733660452926646
Energy: 0.3733663471548957
Energy: 0.3684078554257979
Energy: 0.4070201621578506
Energy: 0.4070195439295853
Energy: 0.36482065864380253
Energy: 0.3691435079292803
Energy: 0.36914246518258
Energy: 0.38960785653548435
Energy: 0.3762221112518457
Energy: 0.3762216655232697
Energy: 0.36358228475612203
Energy: 0.36482363701022946
Energy: 0.3648222287780558
Energy: 0.36208926929856516
Energy: 0.3652779452835764
Energy: 0.3652788886380229
Energy: 0.3656347798327135
Energy: 0.40999915319106217
Energy: 0.40999951973603216
Energy: 0.3610677713303876
Energy: 0.423656405464896
Energy: 0.4236566124502265
Energy: 0.36999258113583244
Energy: 0.3836964933411498
Energy: 0.38369636528231865
Energy: 0.4125394544053521
Energy: 0.3659259387415578
Energy: 0.36592642954844645
   minimum gb energy = 0.3610677713303876 eV
   minimum distance = 2.58393173912921 Angstroms
   sigma value = 69

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

Energy: 0.4330598965179855
Energy: 0.36269879946387557
Energy: 0.36269878666808403
Energy: 0.35369766208072223
Energy: 0.3427655557239302
Energy: 0.34276555573341777
Energy: 0.39200152141675915
Energy: 0.3681094473216502
Energy: 0.36810971518894114
Energy: 0.34873009767610924
Energy: 0.3532555999865484
Energy: 0.35325124177640876
Energy: 0.34873009596369303
Energy: 0.3681095027140381
Energy: 0.3681106130364852
Energy: 0.5011073547481905
Energy: 0.35717866973812235
Energy: 0.3571776362038247
Energy: 0.3536972452581702
Energy: 0.3670171871584213
Energy: 0.367017159186533
Energy: 0.42374251612061087
Energy: 0.3713343453436734
Energy: 0.37133431951232837
Energy: 0.4309223408312209
Energy: 0.3536981652859571
Energy: 0.35370454051008565
Energy: 0.3536998264933618
Energy: 0.36810936871129957
Energy: 0.3681094928851798
   minimum gb energy = 0.3427655557239302 eV
   minimum distance = 2.59885408445572 Angstroms
   sigma value = 13

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

Energy: 0.42686896844290506
Energy: 0.3596686599153477
Energy: 0.35966897164997824
Energy: 0.3471045381440999
Energy: 0.363368504849528
Energy: 0.3633674052566812
Energy: 0.3583013830082422
Energy: 0.3573776785007745
Energy: 0.3573773998829766
Energy: 0.34615920212554246
Energy: 0.3741632236955759
Energy: 0.3741632219880954
Energy: 0.3507327107112306
Energy: 0.3542357260675802
Energy: 0.3542344503688153
Energy: 0.3461594758010034
Energy: 0.3519203230986599
Energy: 0.3519195062565174
Energy: 0.34928845906280687
Energy: 0.351919283700471
Energy: 0.35191926702849885
Energy: 0.36992275974377153
Energy: 0.3519373611693244
Energy: 0.35193686107489874
Energy: 0.39493711251241265
Energy: 0.35219867505552677
Energy: 0.35219841181092554
Energy: 0.4096516167411638
Energy: 0.3496257266616447
Energy: 0.34962562509973893
   minimum gb energy = 0.34615920212554246 eV
   minimum distance = 2.59071035621938 Angstroms
   sigma value = 125

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

Energy: 0.36497614187426486
Energy: 0.35460649246413484
Energy: 0.35460609345143307
Energy: 0.34822542445587923
Energy: 0.35569774443291013
Energy: 0.35569776983962886
Energy: 0.3540064024726346
Energy: 0.3484780314442849
Energy: 0.3484768378240289
Energy: 0.3390319835500193
Energy: 0.3562353089305039
Energy: 0.356235930735576
Energy: 0.4139795454250616
Energy: 0.34230327687123513
Energy: 0.3423026574039502
Energy: 0.34971100082811407
Energy: 0.3665308703329129
Energy: 0.366530685551371
Energy: 0.3409502870652952
Energy: 0.3417456086562304
Energy: 0.34174562494068944
Energy: 0.3900188966392459
Energy: 0.3477010545016675
Energy: 0.3477007471560193
Energy: 0.3436667268050672
Energy: 0.41435790468471023
Energy: 0.41435575189469576
Energy: 0.33960104153067616
Energy: 0.3556977840076013
Energy: 0.3556977642524836
   minimum gb energy = 0.3390319835500193 eV
   minimum distance = 2.59049707512358 Angstroms
   sigma value = 37

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

Energy: 0.3575850178763808
Energy: 0.340083037016442
Energy: 0.3400824211557752
Energy: 0.3388724426596892
Energy: 0.3492124858985744
Energy: 0.3492124859178635
Energy: 0.33816326561748494
Energy: 0.3492124844539858
Energy: 0.3492124840593475
Energy: 0.34008329745695876
Energy: 0.3526377690143162
Energy: 0.3526377306203156
Energy: 0.3930644543670144
Energy: 0.3480598189135377
Energy: 0.34805471561835943
Energy: 0.3381632590312104
Energy: 0.34921248604563104
Energy: 0.3492124855862568
Energy: 0.3400825027754946
Energy: 0.34801717556665435
Energy: 0.3480151647707276
Energy: 0.4463330869316726
Energy: 0.3480607795975028
Energy: 0.3480515919854146
Energy: 0.346092209699572
Energy: 0.34219027056457174
Energy: 0.34219056163168843
Energy: 0.3400831601441975
Energy: 0.3480160020719961
Energy: 0.3480182571944496
   minimum gb energy = 0.3381632590312104 eV
   minimum distance = 2.59084278505245 Angstroms
   sigma value = 37

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

Energy: 0.4213734489123341
Energy: 0.35155988019778794
Energy: 0.3515599118363428
Energy: 0.3311887989939391
Energy: 0.3423669796104894
Energy: 0.34236716963462593
Energy: 0.33301236936518097
Energy: 0.33570347763847513
Energy: 0.3357035186618094
Energy: 0.3330123423579531
Energy: 0.3450460263490918
Energy: 0.345045946736309
Energy: 0.3338002381191601
Energy: 0.335703853514396
Energy: 0.3357032604228936
Energy: 0.40608903858517714
Energy: 0.3421094789907477
Energy: 0.34211088982507115
Energy: 0.3319275217176566
Energy: 0.34209330410919503
Energy: 0.3420930287951578
Energy: 0.4623572481517111
Energy: 0.33635233729778813
Energy: 0.33635289704849197
Energy: 0.33301229810752203
Energy: 0.34885517404211785
Energy: 0.34885768994800576
Energy: 0.33154321816270654
Energy: 0.33570357804700796
Energy: 0.33570403800111265
   minimum gb energy = 0.3311887989939391 eV
   minimum distance = 2.59879023570784 Angstroms
   sigma value = 185

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

Energy: 0.4051926217811648
Energy: 0.34164582583146696
Energy: 0.3416457454399917
Energy: 0.33442521545758735
Energy: 0.34264569672261896
Energy: 0.34264569852797483
Energy: 0.39164346637693614
Energy: 0.3431935954090283
Energy: 0.34319368832555075
Energy: 0.33720081322631723
Energy: 0.34264445116877396
Energy: 0.34264590558244123
Energy: 0.36530195060414367
Energy: 0.3363509967566565
Energy: 0.33635099861847295
Energy: 0.3356823498208825
Energy: 0.34592436732144755
Energy: 0.34592436402160387
Energy: 0.3344940548155516
Energy: 0.33838103906969497
Energy: 0.3383810409360015
Energy: 0.40108587406579527
Energy: 0.33948979895473497
Energy: 0.33949060385215124
Energy: 0.33626995603867527
Energy: 0.338893565035106
Energy: 0.33889422062928476
Energy: 0.39164334409203433
Energy: 0.34319441622352587
Energy: 0.34319424243656793
   minimum gb energy = 0.33442521545758735 eV
   minimum distance = 2.58888526934862 Angstroms
   sigma value = 173

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

Energy: 0.32579386003866667
Energy: 0.32793133898832866
Energy: 0.3279312901796043
Energy: 0.31852865872113634
Energy: 0.340863726861149
Energy: 0.3408637298955066
Energy: 0.31737419633023245
Energy: 0.3176337736599928
Energy: 0.31763435875118595
Energy: 0.31852860650289955
Energy: 0.32898394222769123
Energy: 0.32898366103117577
Energy: 0.3173740156428939
Energy: 0.3176343520249671
Energy: 0.3176344064540157
Energy: 0.31763357497357797
Energy: 0.3257847149887817
Energy: 0.32578471498389483
Energy: 0.3139462944731584
Energy: 0.37656810296570764
Energy: 0.37656810671421204
Energy: 0.32578470849508806
Energy: 0.3289837866124589
Energy: 0.328983901559774
Energy: 0.3139462946128558
Energy: 0.3401274618252241
Energy: 0.3401274743866554
Energy: 0.313946302644264
Energy: 0.3401274739265361
Energy: 0.3401274739460613
   minimum gb energy = 0.3139462944731584 eV
   minimum distance = 2.61200274230883 Angstroms
   sigma value = 25

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

Energy: 0.391020692880659
Energy: 0.32892893318299604
Energy: 0.3289286156313506
Energy: 0.31676692155637043
Energy: 0.32841510287890824
Energy: 0.3284151028881449
Energy: 0.3280982257437067
Energy: 0.3241881119803745
Energy: 0.3241878759927058
Energy: 0.31585956612683885
Energy: 0.32091525453538894
Energy: 0.3209158318181631
Energy: 0.31828196257194463
Energy: 0.32591702890010527
Energy: 0.3259157128202555
Energy: 0.3284151023568341
Energy: 0.3209163929892301
Energy: 0.3209163942952011
Energy: 0.31506141117321124
Energy: 0.32587094901210567
Energy: 0.3258715031357669
Energy: 0.40212171744058617
Energy: 0.3194934971708264
Energy: 0.3194933800564788
Energy: 0.31547970874287923
Energy: 0.32456266963639147
Energy: 0.3245624992745927
Energy: 0.31769098092587233
Energy: 0.38188817085296495
Energy: 0.3818896800153238
   minimum gb energy = 0.31506141117321124 eV
   minimum distance = 2.58638418682898 Angstroms
   sigma value = 269

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

Energy: 0.42950115347806844
Energy: 0.3210118862784528
Energy: 0.3210119758690176
Energy: 0.3085267710229917
Energy: 0.32362474923564655
Energy: 0.323624347159603
Energy: 0.31262119939549987
Energy: 0.3151128982807548
Energy: 0.3151129683223205
Energy: 0.33602826850055423
Energy: 0.31697993972336175
Energy: 0.3169800658581771
Energy: 0.3366606565927598
Energy: 0.32003709303790767
Energy: 0.320037210314796
Energy: 0.3053364521694415
Energy: 0.3236254319727975
Energy: 0.32362488116732896
Energy: 0.35677047256806643
Energy: 0.30922192946548654
Energy: 0.3092219718395874
Energy: 0.41214359114855603
Energy: 0.3169800027684917
Energy: 0.3169799414623108
Energy: 0.3079404543057348
Energy: 0.3211806876615698
Energy: 0.32118096027444404
Energy: 0.3053349565452472
Energy: 0.323625986259106
Energy: 0.32362478150859225
   minimum gb energy = 0.3053349565452472 eV
   minimum distance = 2.60725742611879 Angstroms
   sigma value = 65

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

Energy: 0.4291526093096739
Energy: 0.32047460109468956
Energy: 0.3204743734331903
Energy: 0.311095547576491
Energy: 0.31587249011531754
Energy: 0.31587307285021277
Energy: 0.3141231344454514
Energy: 0.3731906722381197
Energy: 0.37318982802326256
Energy: 0.34308026271373643
Energy: 0.3094622105638808
Energy: 0.3094643087887652
Energy: 0.3094622308538205
Energy: 0.36750551891058103
Energy: 0.36750546919868676
Energy: 0.36786523986889647
Energy: 0.31082544742450885
Energy: 0.3108254447572804
Energy: 0.3094640173211849
Energy: 0.3142977736656816
Energy: 0.3142981489826561
Energy: 0.39333370027353554
Energy: 0.3108256614268861
Energy: 0.3108256604762615
Energy: 0.3094693552724174
Energy: 0.31620204734321994
Energy: 0.3162013042813312
Energy: 0.357325751241622
Energy: 0.3104860112731996
Energy: 0.31048601280460897
   minimum gb energy = 0.3094622105638808 eV
   minimum distance = 2.60149346583136 Angstroms
   sigma value = 79

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

Energy: 0.31291318130054413
Energy: 0.3038501356451815
Energy: 0.3038501356444184
Energy: 0.3001101664710414
Energy: 0.303808704246134
Energy: 0.303808607942018
Energy: 0.3723014328671967
Energy: 0.29838551215882747
Energy: 0.2983855122801067
Energy: 0.30011488607066916
Energy: 0.31291318170181276
Energy: 0.3129131812059422
Energy: 0.2983856497717685
Energy: 0.3038501355948452
Energy: 0.3038501356123987
Energy: 0.29237470743692257
Energy: 0.2967252062133533
Energy: 0.2967256253045725
Energy: 0.29672534631473635
Energy: 0.2983855382096922
Energy: 0.2983855381929019
Energy: 0.3129140601166894
Energy: 0.31291318277591007
Energy: 0.31291318179336186
Energy: 0.29672545068151973
Energy: 0.29672678203645675
Energy: 0.2967261347572311
Energy: 0.2923746742082838
Energy: 0.296725284346937
Energy: 0.2967251844733783
   minimum gb energy = 0.2923746742082838 eV
   minimum distance = 2.60920416477924 Angstroms
   sigma value = 41

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

Energy: 0.3705072748309947
Energy: 0.3007402895231697
Energy: 0.3007403122836951
Energy: 0.2844481812036656
Energy: 0.29795656395738884
Energy: 0.29795656348758154
Energy: 0.2849721241214554
Energy: 0.2979565638810881
Energy: 0.2979565595523901
Energy: 0.35848981871160374
Energy: 0.29499896587808244
Energy: 0.29499939876008063
Energy: 0.3504567855946249
Energy: 0.2950028171860868
Energy: 0.29500246560004734
Energy: 0.28982825567434034
Energy: 0.2949994478984292
Energy: 0.2949993871311451
Energy: 0.2889057562765208
Energy: 0.29795654798497023
Energy: 0.29795655192600695
Energy: 0.4162794111804081
Energy: 0.29795656095324746
Energy: 0.29795656044733715
Energy: 0.29705444198376696
Energy: 0.2866446722578711
Energy: 0.2866444664716214
Energy: 0.28497289325598746
Energy: 0.29242419893352806
Energy: 0.29242420110939565
   minimum gb energy = 0.2844481812036656 eV
   minimum distance = 2.60769260515057 Angstroms
   sigma value = 101

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

Energy: 0.44103217194062727
Energy: 0.2834270718059204
Energy: 0.2834269484644576
Energy: 0.32135797432839924
Energy: 0.278332772062036
Energy: 0.2783322017645109
Energy: 0.27833581346898634
Energy: 0.284245068290707
Energy: 0.2842457007549567
Energy: 0.2740185479680456
Energy: 0.2886447370425578
Energy: 0.2886449760165799
Energy: 0.2755617572725479
Energy: 0.28424547233548103
Energy: 0.28424577841704646
Energy: 0.2783327967873751
Energy: 0.2842448831121199
Energy: 0.28424618455008527
Energy: 0.3049795083750405
Energy: 0.284244878754195
Energy: 0.284245598480722
Energy: 0.4232878685980968
Energy: 0.2842460111650391
Energy: 0.2842453883497814
Energy: 0.41637192873360984
Energy: 0.2842454944965988
Energy: 0.2842445875607557
Energy: 0.27883692301631857
Energy: 0.29738608269088845
Energy: 0.29738685924304564
   minimum gb energy = 0.2740185479680456 eV
   minimum distance = 2.61869686761383 Angstroms
   sigma value = 15

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

Energy: 0.39238692089362526
Energy: 0.27986913228449334
Energy: 0.27985105248130904
Energy: 0.3180463354427852
Energy: 0.2799138318033392
Energy: 0.2799144510915366
Energy: 0.26807864787158386
Energy: 0.27991393098692524
Energy: 0.27991385313379713
Energy: 0.2746451829364387
Energy: 0.2799138896431827
Energy: 0.27991383825521826
Energy: 0.3849328388416747
Energy: 0.2725724047840841
Energy: 0.27257279640660154
Energy: 0.2701718206964249
Energy: 0.2767984975284592
Energy: 0.2767986424386432
Energy: 0.26617832183271994
Energy: 0.27991361031418144
Energy: 0.27991383308581563
Energy: 0.328533548255927
Energy: 0.2791690444814986
Energy: 0.2791688927247531
Energy: 0.2704529616867899
Energy: 0.2799139524662401
Energy: 0.27991382366804024
Energy: 0.267392371248504
Energy: 0.2806380669755186
Energy: 0.28063791698911755
   minimum gb energy = 0.26617832183271994 eV
   minimum distance = 2.61347593243807 Angstroms
   sigma value = 145

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

Energy: 0.37114287442377103
Energy: 0.26961736220558136
Energy: 0.2696173716389924
Energy: 0.26403858540432046
Energy: 0.27333739037602056
Energy: 0.2733364765959072
Energy: 0.26029450850934904
Energy: 0.26403654786068553
Energy: 0.26403621357774676
Energy: 0.2609854485889742
Energy: 0.26458278892645254
Energy: 0.2645817551160042
Energy: 0.2589541273910066
Energy: 0.26403625355780597
Energy: 0.2640342866183145
Energy: 0.2589545997314012
Energy: 0.2733373833088167
Energy: 0.2733374238409508
Energy: 0.26403633916424746
Energy: 0.2682884814087966
Energy: 0.2682885012504834
Energy: 0.36491389493371956
Energy: 0.27333744105313845
Energy: 0.2733356583770262
Energy: 0.3237426816603374
Energy: 0.2682888931321238
Energy: 0.26828817293589935
Energy: 0.26182660058057483
Energy: 0.2589545714025452
Energy: 0.2589545937168837
   minimum gb energy = 0.2589541273910066 eV
   minimum distance = 2.6093939829862 Angstroms
   sigma value = 85

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

Energy: 0.4119353698209402
Energy: 0.2661466262393298
Energy: 0.2661462107931992
Energy: 0.2539761883476484
Energy: 0.28693458515593756
Energy: 0.28693937855424334
Energy: 0.2539725961578036
Energy: 0.2617833072631668
Energy: 0.261783190763238
Energy: 0.3034904728981085
Energy: 0.2691242468105494
Energy: 0.2691250341404774
Energy: 0.3034907226170954
Energy: 0.2637351726179267
Energy: 0.2637304151482647
Energy: 0.25320213449404877
Energy: 0.26373738435949506
Energy: 0.2637292431896409
Energy: 0.2527200964664293
Energy: 0.26373302144322913
Energy: 0.2637323414316837
Energy: 0.26414349248753216
Energy: 0.2617869547289948
Energy: 0.26178488449219045
Energy: 0.31416595960247967
Energy: 0.26100003862473037
Energy: 0.26099869104138923
Energy: 0.2523452158069761
Energy: 0.26409343676900593
Energy: 0.26409420548002144
   minimum gb energy = 0.2523452158069761 eV
   minimum distance = 2.61709719633309 Angstroms
   sigma value = 197

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

Energy: 0.3464013394227534
Energy: 0.24265805240348104
Energy: 0.2426580520193253
Energy: 0.25120952244724415
Energy: 0.2511310317307757
Energy: 0.2511310378873184
Energy: 0.23444720679576472
Energy: 0.2665687019170397
Energy: 0.2665688746660855
Energy: 0.23557465765396468
Energy: 0.25113100070311706
Energy: 0.2511310001691564
Energy: 0.23803171705682066
Energy: 0.25180070663318277
Energy: 0.2518003005010707
Energy: 0.23510452221248274
Energy: 0.25116173443843065
Energy: 0.25116796100858135
Energy: 0.3206044222448991
Energy: 0.2584629877299397
Energy: 0.2584631078565677
Energy: 0.3423935745106787
Energy: 0.25116516446600357
Energy: 0.2511396157909767
Energy: 0.2512218299395955
Energy: 0.24028599988559993
Energy: 0.2402859812096428
Energy: 0.24155018398871442
Energy: 0.2511309634513791
Energy: 0.25113095018617937
   minimum gb energy = 0.23444720679576472 eV
   minimum distance = 2.62483964219353 Angstroms
   sigma value = 113

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

Energy: 0.2866751907541895
Energy: 0.24082854377631932
Energy: 0.24082854303682147
Energy: 0.37713133095674733
Energy: 0.23342506858836207
Energy: 0.23342149651337124
Energy: 0.22580675057011768
Energy: 0.2444259377870832
Energy: 0.24442628522334175
Energy: 0.22629740461320047
Energy: 0.24442650609655941
Energy: 0.24442611797229524
Energy: 0.2226950105145237
Energy: 0.24483283528915117
Energy: 0.24483270582406835
Energy: 0.23060941054552841
Energy: 0.23342731909886485
Energy: 0.2334231741678733
Energy: 0.34642388077250025
Energy: 0.23861733169871088
Energy: 0.2386173474805555
Energy: 0.390453186785576
Energy: 0.244426116358619
Energy: 0.24442604048041844
Energy: 0.3032722282853093
Energy: 0.24442596474501502
Energy: 0.24442611127053146
Energy: 0.27287135667554385
Energy: 0.23340513362311022
Energy: 0.2334052011014949
   minimum gb energy = 0.2226950105145237 eV
   minimum distance = 2.62290529341132 Angstroms
   sigma value = 145

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

Energy: 0.37484699041956165
Energy: 0.23028845244028062
Energy: 0.2302884586622969
Energy: 0.3260790478988436
Energy: 0.2275371767471553
Energy: 0.22753706757869419
Energy: 0.2142995842713384
Energy: 0.22753814501131084
Energy: 0.22754070811297103
Energy: 0.2198034211841126
Energy: 0.22754017357637973
Energy: 0.22754000261971044
Energy: 0.21468753814703906
Energy: 0.23803694235518733
Energy: 0.23803705288377236
Energy: 0.25748981786444236
Energy: 0.2278506848679968
Energy: 0.22785098712987129
Energy: 0.2275700735587622
Energy: 0.22755910963764853
Energy: 0.22755796864389757
Energy: 0.369264074907711
Energy: 0.23256300158419313
Energy: 0.23256282429983868
Energy: 0.21647203316509386
Energy: 0.21945927740079568
Energy: 0.21945928449091506
Energy: 0.2194855151046512
Energy: 0.23803424198374157
Energy: 0.23803441405363276
   minimum gb energy = 0.2142995842713384 eV
   minimum distance = 2.62862193530087 Angstroms
   sigma value = 181

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

Energy: 0.2348679315573429
Energy: 0.22381314503532382
Energy: 0.22381237442880583
Energy: 0.2604894995081497
Energy: 0.2354359078030981
Energy: 0.23543588667610554
Energy: 0.2098133020939
Energy: 0.22624797075358255
Energy: 0.22624774438085365
Energy: 0.20877737534824956
Energy: 0.21803792962472499
Energy: 0.21803787630384572
Energy: 0.2087771937418034
Energy: 0.2221807690854029
Energy: 0.22218073202823532
Energy: 0.20967139276196234
Energy: 0.22686080474729073
Energy: 0.22686110582220526
Energy: 0.2888439566369178
Energy: 0.2221808309036805
Energy: 0.2221818198462226
Energy: 0.2594200988943769
Energy: 0.22218108613815762
Energy: 0.22218178175303255
Energy: 0.288844072095745
Energy: 0.2221820098166345
Energy: 0.22218196505952617
Energy: 0.21944916055742403
Energy: 0.22218163412300074
Energy: 0.22218038848706886
   minimum gb energy = 0.2087771937418034 eV
   minimum distance = 2.62585380041333 Angstroms
   sigma value = 55

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

Energy: 0.22876619956163016
Energy: 0.21768176609341774
Energy: 0.2176818163753959
Energy: 0.27749062549421255
Energy: 0.2152600452719954
Energy: 0.2152601283401191
Energy: 0.2847621343401167
Energy: 0.20495906893619636
Energy: 0.20495903778298571
Energy: 0.19558650765592914
Energy: 0.21717034228657262
Energy: 0.2171698343442034
Energy: 0.20359190901049395
Energy: 0.21156777036460794
Energy: 0.2115679627423254
Energy: 0.20008595952329644
Energy: 0.20958676395795628
Energy: 0.20958674766239294
Energy: 0.2053621500841174
Energy: 0.2009416069216764
Energy: 0.20094373822947315
Energy: 0.21942439287173904
Energy: 0.21716862896475697
Energy: 0.21716861841452645
Energy: 0.2797924690880367
Energy: 0.2063479497733506
Energy: 0.20634789514078195
Energy: 0.21294172261712563
Energy: 0.21717332528366104
Energy: 0.21717147166766979
   minimum gb energy = 0.19558650765592914 eV
   minimum distance = 2.62662660221793 Angstroms
   sigma value = 265

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

Energy: 0.21395889007117458
Energy: 0.20546653992251301
Energy: 0.20546662299865529
Energy: 0.20398612954173823
Energy: 0.19676720173366444
Energy: 0.196767185685714
Energy: 0.19490053171051427
Energy: 0.20222879737130664
Energy: 0.2022288519264533
Energy: 0.18760018142746337
Energy: 0.20533453531471402
Energy: 0.20533368497468107
Energy: 0.19491941292152715
Energy: 0.2022006996050477
Energy: 0.20220047220442486
Energy: 0.19091949530087315
Energy: 0.20533913739044252
Energy: 0.20533903416767896
Energy: 0.2469946825103601
Energy: 0.2087710594747731
Energy: 0.2087710409891453
Energy: 0.2124579315483306
Energy: 0.20533470707755372
Energy: 0.20533738300096913
Energy: 0.3025591550581043
Energy: 0.2087873285695217
Energy: 0.2087865460716794
Energy: 0.19252562478487278
Energy: 0.20533469774323526
Energy: 0.2053345689175272
   minimum gb energy = 0.18760018142746337 eV
   minimum distance = 2.62484030429597 Angstroms
   sigma value = 39

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

Energy: 0.20922704956545857
Energy: 0.2010290439460222
Energy: 0.20102930781129613
Energy: 0.23961314280726073
Energy: 0.19844419982440029
Energy: 0.19844416429286224
Energy: 0.21624845258726216
Energy: 0.19564040343894945
Energy: 0.1956403930331987
Energy: 0.18137599660153078
Energy: 0.19564219433997243
Energy: 0.1956422275675909
Energy: 0.18395859592885813
Energy: 0.20140389852681478
Energy: 0.20140389844217166
Energy: 0.18727127472376756
Energy: 0.2321898199676012
Energy: 0.23219024108125808
Energy: 0.24051690202859768
Energy: 0.19564037040666116
Energy: 0.19564040504079655
Energy: 0.20139975706113
Energy: 0.1956404131388141
Energy: 0.19564039211277495
Energy: 0.19818980269574216
Energy: 0.18876856788964014
Energy: 0.18876853953978853
Energy: 0.22936604275692554
Energy: 0.1956404021743725
Energy: 0.1956403890398125
   minimum gb energy = 0.18137599660153078 eV
   minimum distance = 2.62373229848278 Angstroms
   sigma value = 91

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

Energy: 0.2048458329888786
Energy: 0.19342379925008174
Energy: 0.1934216932640372
Energy: 0.23393188895404501
Energy: 0.1922860691342764
Energy: 0.19228584372732385
Energy: 0.18072476613822433
Energy: 0.19494552439747947
Energy: 0.1949457073289137
Energy: 0.17802982811220872
Energy: 0.19773931975644307
Energy: 0.19774162313633362
Energy: 0.17681809349202043
Energy: 0.1922834303566985
Energy: 0.1922834428455854
Energy: 0.20578886570838212
Energy: 0.18370842505310958
Energy: 0.18370854931108616
Energy: 0.18361985039370404
Energy: 0.1875690869918849
Energy: 0.18756911571439336
Energy: 0.19773657686362592
Energy: 0.19494554805873276
Energy: 0.19494597591844812
Energy: 0.18757327550741745
Energy: 0.1977398000713714
Energy: 0.19774122980321437
Energy: 0.1837536583811344
Energy: 0.22112693816727805
Energy: 0.22112675743796922
   minimum gb energy = 0.17681809349202043 eV
   minimum distance = 2.6237534047717 Angstroms
   sigma value = 105

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

Energy: 0.011713072547464516
Energy: 0.011713072539866285
Energy: 0.011713072548151696
Energy: 0.011713072535370175
Energy: 0.15509531318719263
Energy: 0.15509531318475803
Energy: 0.011713072540906871
Energy: 0.1550953131864858
Energy: 0.1550953131875264
Energy: 0.011713072545736752
Energy: 0.15509531318546485
Energy: 0.1550953131806153
Energy: 0.011713072541594049
Energy: 0.15509531317888756
Energy: 0.1550953131864858
Energy: 0.01171307253951288
Energy: 0.1550953131837371
Energy: 0.15509531318338368
Energy: 0.011713072536410758
Energy: 0.15509531318096872
Energy: 0.1550953131857986
Energy: 0.011713072537097937
Energy: 0.011713072537785115
Energy: 0.01171307253849193
Energy: 0.011713072563014385
Energy: 0.15509531318442427
Energy: 0.15509531318165592
Energy: 0.011713072536410758
Energy: 0.1550953131882136
Energy: 0.15509531317474484
   minimum gb energy = 0.011713072535370175 eV
   minimum distance = 2.84737271291961 Angstroms
   sigma value = 1