Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.070949114859104
cohesive_energy=3.369388139873114
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 1.8327458733989397e-19, 2.8562964160298395e-19, 3.2371978889970002e-19, 3.5526184029325797e-19, 3.81962113898868e-19, 4.0488445500150593e-19, 4.2474984308647194e-19, 4.42069372500012e-19, 4.57227565634286e-19, 4.705176208133159e-19, 4.82171853649032e-19, 4.923777188076119e-19, 5.01290627422554e-19, 5.090387536245779e-19, 5.15727841071528e-19, 5.21450816008176e-19, 5.26289389442856e-19, 5.3031245497083e-19, 5.33577690950922e-19, 5.36141173565322e-19, 5.3805096811305e-19, 5.39345526833322e-19, 5.39792534114208e-19, 5.39448066137898e-19, 5.38489964510766e-19, 5.369246379393479e-19, 5.34651149295702e-19, 5.31493259150088e-19, 5.272330714802819e-19, 5.216158402014779e-19, 5.1437079746253e-19, 5.051951318796119e-19, 4.93723547180172e-19, 4.79505831730056e-19, 4.619956432970699e-19, 4.40508852458496e-19, 4.14197907774948e-19, 3.81987748725012e-19, 3.4251171863988593e-19, 2.94013831928706e-19, 2.34201373828218e-19, 1.60042225058577e-19, 6.74705419756812e-20, -4.90764326937174e-20, -1.97410591781676e-19, -3.8907738033046197e-19, -6.41996983773702e-19, -9.853402320866339e-19, -1.469586904476696e-18, -2.18871747794106e-18, -3.3353151860631597e-18, -5.35777479469404e-18, -9.499161067088939e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010247616256264537
Energy: 0.2688976825527277
Energy: 0.010890935769107747
Energy: 0.011703030545302983
Energy: 0.26962627716330856
Energy: 0.010672276289466463
Energy: 0.268897681381271
Energy: 0.04482221497967336
Energy: 0.04459839766333178
Energy: 0.04564885728919672
Energy: 0.04492385734944573
Energy: 0.044727649179442525
Energy: 0.01089093576935504
Energy: 0.04459839766333178
Energy: 0.04624707436570423
Energy: 0.011006336836512524
Energy: 0.04501910515134743
Energy: 0.04595125591821018
Energy: 0.011703030545302983
Energy: 0.04564885728894942
Energy: 0.011006336836512524
Energy: 0.012553111532145375
Energy: 0.04607795942203647
Energy: 0.010743669466721166
Energy: 0.26962627718193805
Energy: 0.04492385734944573
Energy: 0.04501910515134743
Energy: 0.04607795942203647
Energy: 0.04505886483558099
Energy: 0.04438420812728254
Energy: 0.010672276289246645
Energy: 0.044727649179442525
Energy: 0.04595125591821018
Energy: 0.01074366946696846
Energy: 0.04438420812728254
Energy: 0.010743044109627292

minimum gb energy = 0.010247616256264537 eV
minimum distance =  2.87106077231073 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.8818880210942802
Energy: 0.6397330064225877
Energy: 0.6210720477791238
Energy: 0.7189551025478612
Energy: 0.6645116481486572
Energy: 0.6217846358352107
Energy: 0.7356151483114229
Energy: 0.5483242383866598
Energy: 0.5640015195989936
Energy: 0.6069927099348102
Energy: 0.5529263744526031
Energy: 0.5467656970358963
Energy: 0.7851373303561062
Energy: 0.5545937434450111
Energy: 0.5480711183822635
Energy: 0.6025611611591166
Energy: 0.5472547786659411
Energy: 0.5482089084291613
Energy: 0.7862256690021152
Energy: 0.5525465066486928
Energy: 0.5628120723424502
Energy: 0.5936192779415456
Energy: 0.5520272054343306
Energy: 0.5831200847310298
Energy: 0.7377246977103372
Energy: 0.583084716419344
Energy: 0.5591226284417332
Energy: 0.5953588401211749
Energy: 0.5842472179766326
Energy: 0.5471791373165836
Energy: 0.733520217124328
Energy: 0.5888343015142463
Energy: 0.610016455595767
Energy: 0.6303815387191359
Energy: 0.582536728030725
Energy: 0.6152795053649858
Energy: 0.7349791447069403
Energy: 0.6239344625990265
Energy: 0.6237545503019655
Energy: 0.6094232170470607
Energy: 0.6036220465645374
Energy: 0.597827494533826
Energy: 0.7017687087094919
Energy: 0.6241618622385201
Energy: 0.60716108634599
Energy: 0.6073724185651612
Energy: 0.6140560147651651
Energy: 0.6383211506980484
Energy: 0.6287716050325319
Energy: 0.6067874980266611
Energy: 0.6086920194287938
Energy: 0.5939265531560867
Energy: 0.6231167283481642
Energy: 0.6075636380863657
Energy: 0.6359215624961252
Energy: 0.5493907592365218
Energy: 0.5492812974744878
Energy: 0.5658032287154214
Energy: 0.5498571069610636
Energy: 0.5633051509576676
Energy: 0.6278262528556678
Energy: 0.6995675998909497
Energy: 0.6444522064563728
Energy: 0.5989823846444292
Energy: 0.6449202595269421
Energy: 0.5582372586457951
Energy: 0.5516681676420814
Energy: 0.5768996306519172
Energy: 0.546808348783173
Energy: 0.5523934351097659
Energy: 0.5570917922627326
Energy: 0.5488587121393528
Energy: 0.5527535226540925
Energy: 0.5503451657664424
Energy: 0.549364514651942
Energy: 0.5542554045201665
Energy: 0.5519831563314419
Energy: 0.5491340182088367
Energy: 0.609008839369613
Energy: 0.6348166571071852
Energy: 0.6975843081284565
Energy: 0.5479025948256796
Energy: 0.6793343787669154
Energy: 0.554834787094205
Energy: 0.5847657159206369
Energy: 0.5503338086621453
Energy: 0.569843815325879
Energy: 0.5530826621098183
Energy: 0.5544023130380555
Energy: 0.5482980782708501
Energy: 0.5820619551552414
Energy: 0.5706053857627592
Energy: 0.586317479979838
Energy: 0.5734690827429441
Energy: 0.570587244636258
Energy: 0.5704766498249403
Energy: 0.7017604907773022
Energy: 0.6276459399957449
Energy: 0.6224957648297946
Energy: 0.5722838269364874
Energy: 0.6586551966103944
Energy: 0.5715077739243251
Energy: 0.6888432159754935
Energy: 0.6073131344834386
Energy: 0.6088183694293998
Energy: 0.607330020934049
Energy: 0.6140484549870276
Energy: 0.604240115233139
Energy: 0.6813108325886872
Energy: 0.595576776496257
Energy: 0.6105677409282559
Energy: 0.6086726771568592
Energy: 0.5989426057448455
Energy: 0.6019881526947718
Energy: 0.7014486046434976
Energy: 0.5978038869044552
Energy: 0.5835128125581848
Energy: 0.608718600766919
Energy: 0.6004956546631554
Energy: 0.588827421266017
Energy: 0.7593389577275316
Energy: 0.556149220291577
Energy: 0.596010094189192
Energy: 0.6224995311182869
Energy: 0.6236878185649987
Energy: 0.5908162921442032
Energy: 0.7547795616737254
Energy: 0.5722431969736643
Energy: 0.5684701794199023
Energy: 0.6087225730971065
Energy: 0.5728586573774022
Energy: 0.5845565026803602
Energy: 0.7666121921814029
Energy: 0.5470146572438378
Energy: 0.5470181895750008
Energy: 0.6061990320719488
Energy: 0.5516272119522522
Energy: 0.5539321463588351

minimum gb energy = 0.5467656970358963 eV
minimum distance =  2.63946524199504 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.0333155320308944
Energy: 0.7026056255141725
Energy: 0.5606646087948666
Energy: 0.6800157201502051
Energy: 0.6464237735684507
Energy: 0.6372945958392906
Energy: 0.7869010661560462
Energy: 0.5783661630087568
Energy: 0.556100646612418
Energy: 0.5507755267150063
Energy: 0.5563676129032814
Energy: 0.5948810203745495
Energy: 0.7646454318117218
Energy: 0.5944741300946578
Energy: 0.5784479258647245
Energy: 0.6432913933801087
Energy: 0.5786974436079664
Energy: 0.5953195370304428
Energy: 0.7386313659027076
Energy: 0.5932868736188062
Energy: 0.5954809704568429
Energy: 0.6630277391553583
Energy: 0.5943608441779975
Energy: 0.6508049781787636
Energy: 0.7431329847827617
Energy: 0.5928332407013998
Energy: 0.5940207046005281
Energy: 0.5878953803107219
Energy: 0.5942624369040383
Energy: 0.5929661875336261
Energy: 0.743166148795222
Energy: 0.6015927018437107
Energy: 0.6018634080900815
Energy: 0.6113511652276937
Energy: 0.5974138137569599
Energy: 0.615359353386025
Energy: 0.7180378878547163
Energy: 0.6068487157207152
Energy: 0.6043600611411406
Energy: 0.6040948833246763
Energy: 0.611494804226886
Energy: 0.6087749289389445
Energy: 0.6711990692017781
Energy: 0.6183563373599436
Energy: 0.6104797301209217
Energy: 0.6226764954472818
Energy: 0.6356375507917363
Energy: 0.6179074545826372
Energy: 0.6412778636664418
Energy: 0.6091301618946585
Energy: 0.6198250271193875
Energy: 0.61736062463877
Energy: 0.6025628254475253
Energy: 0.610746986675981
Energy: 0.6355160545278294
Energy: 0.5939601223381586
Energy: 0.5949599140021279
Energy: 0.5967300713304339
Energy: 0.5766277339954136
Energy: 0.5753685590486101
Energy: 0.6615705292700291
Energy: 0.5609869012182681
Energy: 0.5653836874219516
Energy: 0.6628439087447038
Energy: 0.546202524947786
Energy: 0.5451108088327176
Energy: 0.5755038416619732
Energy: 0.5956252941586342
Energy: 0.592280913609865
Energy: 0.5753424312139532
Energy: 0.5462449494794069
Energy: 0.5779234346877263
Energy: 0.5860543500997374
Energy: 0.5971968520570097
Energy: 0.5963095345463326
Energy: 0.5848803494106491
Energy: 0.5786297404768762
Energy: 0.5881378394836245
Energy: 0.6690569947496702
Energy: 0.6543214228000934
Energy: 0.5991888339690058
Energy: 0.6398917742716614
Energy: 0.6035611711815885
Energy: 0.6550791797258256
Energy: 0.5937679228154032
Energy: 0.5954317056296862
Energy: 0.5937730889574011
Energy: 0.5941276966086089
Energy: 0.6307710286066682
Energy: 0.5940795850200001
Energy: 0.6098551337620403
Energy: 0.6292923619619172
Energy: 0.6176548610727597
Energy: 0.5928151438364486
Energy: 0.6110962377344424
Energy: 0.6147102533311694
Energy: 0.6939606210718992
Energy: 0.6081119600688961
Energy: 0.6047284132913422
Energy: 0.6289041665587293
Energy: 0.6062698056627862
Energy: 0.6060293321549354
Energy: 0.6635352822712591
Energy: 0.623404987921222
Energy: 0.6332280543084979
Energy: 0.628570827180111
Energy: 0.6190524986654949
Energy: 0.6039877203448588
Energy: 0.6948610911001396
Energy: 0.6349799772823882
Energy: 0.6187637692554206
Energy: 0.6103951819670501
Energy: 0.6171092220169863
Energy: 0.6252987924936069
Energy: 0.712647261903998
Energy: 0.6318046031708638
Energy: 0.5944914522842898
Energy: 0.6173611017450444
Energy: 0.613491603811026
Energy: 0.6109372137739287
Energy: 0.7803270651824329
Energy: 0.5905252135930956
Energy: 0.5453224209177893
Energy: 0.5467518863655428
Energy: 0.6794393372566554
Energy: 0.5491301334202499
Energy: 0.7523929401763586
Energy: 0.5943060327510461
Energy: 0.5903079746081752
Energy: 0.5457633224664841
Energy: 0.5934406935678498
Energy: 0.5930472361627506
Energy: 0.6908474301721698
Energy: 0.596265765721287
Energy: 0.5954651089946676
Energy: 0.6419781040154408
Energy: 0.5917753494250216
Energy: 0.5945154063762578
Energy: 0.8251830361216366
Energy: 0.6995923479454363
Energy: 0.6848049135701442
Energy: 0.6515075107642192
Energy: 0.6845266644561063
Energy: 0.7084155663368453
Energy: 0.7280608638289596
Energy: 0.5948786433858921
Energy: 0.5908371693464711
Energy: 0.6299124059608585
Energy: 0.5912510585238936
Energy: 0.5910935908085941
Energy: 0.712559729946075
Energy: 0.6140061057587075
Energy: 0.6156693953504383
Energy: 0.6103429138937053
Energy: 0.5962832284780907
Energy: 0.6126130050854196
Energy: 0.73082162637358
Energy: 0.6217042618815466
Energy: 0.618036284836958
Energy: 0.6163184810695429
Energy: 0.6215795803786185
Energy: 0.6145993355551087
Energy: 0.6792605933247615
Energy: 0.6117866456249288
Energy: 0.6315061779049564
Energy: 0.6222689621306632
Energy: 0.6098644645995225
Energy: 0.6061567358982475
Energy: 0.6519758514535189
Energy: 0.6343513107499094
Energy: 0.6100073839694705
Energy: 0.6132536007356648
Energy: 0.6272246672623134
Energy: 0.6361528122098072
Energy: 0.6461626546706793
Energy: 0.6188251264584369
Energy: 0.6017938422479494
Energy: 0.6170885651406305
Energy: 0.6103115075185211
Energy: 0.6272089287821888
Energy: 0.7023353662520141
Energy: 0.5458645771383791
Energy: 0.5463821487425295
Energy: 0.5808327857776839
Energy: 0.559075046235443
Energy: 0.5980000119852079
Energy: 0.5809236862275826
Energy: 0.5452950830410069
Energy: 0.5774659144399888
Energy: 0.5797201292497174
Energy: 0.5596965057794864
Energy: 0.5744032188249871
Energy: 0.5849091285836476
Energy: 0.5864756840085449
Energy: 0.586188900809503
Energy: 0.5867213871189834
Energy: 0.5962204787357471
Energy: 0.5940273447383292
Energy: 0.5982740742534065
Energy: 0.7105648542334356
Energy: 0.7020153220013684
Energy: 0.593522306729071
Energy: 0.706001298541755
Energy: 0.7008969011101902
Energy: 0.6027900973411073
Energy: 0.6097708775003123
Energy: 0.5911517674510954
Energy: 0.5907157733635361
Energy: 0.5914652237562357
Energy: 0.5909462494742913
Energy: 0.6204588232575243
Energy: 0.6120526951895603
Energy: 0.6188294332183158
Energy: 0.6167455221698196
Energy: 0.6089767269904998
Energy: 0.6130050446546121
Energy: 0.619858584440331
Energy: 0.6311810748594617
Energy: 0.626086133255701
Energy: 0.6054883342862968
Energy: 0.621764109173754
Energy: 0.62606239517645
Energy: 0.6946978299426237
Energy: 0.6067621347744201
Energy: 0.6069280279029994
Energy: 0.6219198996331534
Energy: 0.6081499528939632
Energy: 0.6051857053599258
Energy: 0.6587936697283201
Energy: 0.6202304960006271
Energy: 0.6340932103311737
Energy: 0.6280347009313524
Energy: 0.6062227145803804
Energy: 0.6099944431435403
Energy: 0.7435821101639288
Energy: 0.6026620959762466
Energy: 0.5960747804088233
Energy: 0.5879369285533504
Energy: 0.5859686267770737
Energy: 0.619052361169628
Energy: 0.7608939970232966
Energy: 0.5678006840642353
Energy: 0.545422547229132
Energy: 0.5463849349210621
Energy: 0.5601978711114961
Energy: 0.568799072410485

minimum gb energy = 0.5451108088327176 eV
minimum distance =  2.50382754565672 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.9172203740713671
Energy: 0.6169590968883512
Energy: 0.620802073143299
Energy: 0.642373575426577
Energy: 0.6210567893114055
Energy: 0.6450658587374574
Energy: 0.676563772678991
Energy: 0.5748485464617843
Energy: 0.5725584372491309
Energy: 0.5553183028269228
Energy: 0.5755735583078186
Energy: 0.5723792581875642
Energy: 0.7649821662466667
Energy: 0.5805975678399778
Energy: 0.5798758606078448
Energy: 0.592999616654334
Energy: 0.5810852450624383
Energy: 0.5723680208267334
Energy: 0.7348468409731685
Energy: 0.55964975051449
Energy: 0.560310819626203
Energy: 0.6030752823218959
Energy: 0.6310466660579971
Energy: 0.6191975405698457
Energy: 0.6905182339881579
Energy: 0.5712144030689204
Energy: 0.5714206802936024
Energy: 0.584947078418754
Energy: 0.5730188774334963
Energy: 0.5702012738710764
Energy: 0.6736297372188538
Energy: 0.6166217169321387
Energy: 0.6122069692522508
Energy: 0.6306194961035055
Energy: 0.6163606098663013
Energy: 0.6091224090185575
Energy: 0.671377821698916
Energy: 0.5797828896534799
Energy: 0.5910447833290274
Energy: 0.5933051879035602
Energy: 0.6012921376345429
Energy: 0.5987138409515489
Energy: 0.6631386529611256
Energy: 0.5960791978803355
Energy: 0.5886919733720398
Energy: 0.6278131580277393
Energy: 0.5468090843933497
Energy: 0.550744523707222
Energy: 0.5783766584685408
Energy: 0.6405751539039023
Energy: 0.5802627698434505
Energy: 0.5803047227189287
Energy: 0.672755678838952
Energy: 0.5754787547535659
Energy: 0.5785406023620705
Energy: 0.5726512180491518
Energy: 0.571363538242408
Energy: 0.579921097759883
Energy: 0.5712546642068342
Energy: 0.5723765943051001
Energy: 0.5747395160803861
Energy: 0.5574069447477707
Energy: 0.5740089156364361
Energy: 0.5745308440293738
Energy: 0.5370438035552824
Energy: 0.5787322117223124
Energy: 0.610619508615751
Energy: 0.5720571771867475
Energy: 0.5718558440330963
Energy: 0.5721094814684009
Energy: 0.626638312216686
Energy: 0.5715839424682297
Energy: 0.6037346807221202
Energy: 0.6090083451207058
Energy: 0.6102106160554629
Energy: 0.5929138744299665
Energy: 0.6370432722124532
Energy: 0.6110512107619134
Energy: 0.6256232153198094
Energy: 0.6337104718443364
Energy: 0.5726896804953281
Energy: 0.5798979139423696
Energy: 0.6305902903005145
Energy: 0.6095808086210431
Energy: 0.7051112719808442
Energy: 0.6048291204341669
Energy: 0.5972441200990528
Energy: 0.6188630818321024
Energy: 0.6050287601162133
Energy: 0.6079215084134069
Energy: 0.7013897892975375
Energy: 0.5967686015363037
Energy: 0.5744965764555022
Energy: 0.6706245318143955
Energy: 0.5978587718678642
Energy: 0.6526104093111161
Energy: 0.7742263438398592
Energy: 0.5924711056147786
Energy: 0.5922246025662938
Energy: 0.6079432531777601
Energy: 0.5915306931794192
Energy: 0.6094665867431892
Energy: 0.768829295563892
Energy: 0.5722971630860333
Energy: 0.5658688061402832
Energy: 0.6186095470902274
Energy: 0.5728498443231188
Energy: 0.5628917959282691

minimum gb energy = 0.5370438035552824 eV
minimum distance =  2.62968052560295 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.7653251391421643
Energy: 0.7969695121139487
Energy: 0.54540454102794
Energy: 0.648088118383745
Energy: 0.7923505588813513
Energy: 0.5450076273521192
Energy: 0.6107908343850491
Energy: 0.55254202928003
Energy: 0.5632493068620298
Energy: 0.5899095471689647
Energy: 0.5362785228672474
Energy: 0.5719902066402147
Energy: 0.7556017516092588
Energy: 0.554472523632675
Energy: 0.5723485644123738
Energy: 0.5939650802115026
Energy: 0.5541003128737209
Energy: 0.5618029020968781
Energy: 0.6439037422150417
Energy: 0.553870289858882
Energy: 0.5531576535411572
Energy: 0.5645862174322848
Energy: 0.6020480830358522
Energy: 0.5550421925454573
Energy: 0.6097060793630413
Energy: 0.5528135720333236
Energy: 0.5531483258909303
Energy: 0.527614906838764
Energy: 0.5528032114107306
Energy: 0.5771966267668763
Energy: 0.6090758216853801
Energy: 0.5209299901441904
Energy: 0.5609896613819564
Energy: 0.5305261609777663
Energy: 0.5209685151560051
Energy: 0.5485679915704441
Energy: 0.6092341449553266
Energy: 0.5964058451252798
Energy: 0.5675016964280186
Energy: 0.5584033708606394
Energy: 0.5284992129618635
Energy: 0.5713163849006773
Energy: 0.6012574304949121
Energy: 0.5212842255913904
Energy: 0.5215177877959425
Energy: 0.6016717856528485
Energy: 0.5206595249254419
Energy: 0.5214499352417945
Energy: 0.5370351273460008
Energy: 0.5649242680380204
Energy: 0.5603135330975613
Energy: 0.5527805506628218
Energy: 0.5704656031484169
Energy: 0.5619679890172835
Energy: 0.5361509492798746
Energy: 0.5938134328470321
Energy: 0.5780077666854877
Energy: 0.5361343109092777
Energy: 0.6021437512263901
Energy: 0.571390736251691
Energy: 0.5539481285804433
Energy: 0.5444358330376984
Energy: 0.5911403618030556
Energy: 0.553188859774616
Energy: 0.5441870403324859
Energy: 0.6024109798413724
Energy: 0.6110487326436587
Energy: 0.5936364665073268
Energy: 0.5932252399132321
Energy: 0.5534983095138326
Energy: 0.6057147505226544
Energy: 0.5776573087510246
Energy: 0.5202781346842394
Energy: 0.5534054633717265
Energy: 0.5499970864929207
Energy: 0.5213872584103991
Energy: 0.5533257801761896
Energy: 0.5959664833063393
Energy: 0.6099473188930795
Energy: 0.5946615320819911
Energy: 0.5673565470697155
Energy: 0.5540212719366026
Energy: 0.5959811957505461
Energy: 0.5675372232218907
Energy: 0.7485260206972656
Energy: 0.5534525754083328
Energy: 0.5948820895990327
Energy: 0.5700206919906166
Energy: 0.5709698349830029
Energy: 0.559882278704694
Energy: 0.6899863436784411
Energy: 0.5533254788395974
Energy: 0.5214596880091491
Energy: 0.5206286106691587
Energy: 0.5528212749528177
Energy: 0.5216182255826128
Energy: 0.6106367012998349
Energy: 0.5363693459336588
Energy: 0.5524487222975927
Energy: 0.5283308359303129
Energy: 0.5362241040048333
Energy: 0.5717732583536899
Energy: 0.6421649894240129
Energy: 0.5538850969504052
Energy: 0.5538321077629418
Energy: 0.6009116721023041
Energy: 0.5540567507490999
Energy: 0.5540972799242366
Energy: 0.6402971055597677
Energy: 0.5535364923339908
Energy: 0.578046801171564
Energy: 0.5248430777493424
Energy: 0.5531532900312027
Energy: 0.5943262939845282
Energy: 0.6105434150642274
Energy: 0.5213705254320187
Energy: 0.5529061658304668
Energy: 0.5538668876622892
Energy: 0.521001302151073
Energy: 0.5475429236966376
Energy: 0.6470011207472322
Energy: 0.5630213746612686
Energy: 0.5641306483480046
Energy: 0.5963871397554893
Energy: 0.5535597872223458
Energy: 0.5805621410956082
Energy: 0.6112458166441651
Energy: 0.597824876798344
Energy: 0.6245109403764653
Energy: 0.5532506799287136
Energy: 0.6013842558989149
Energy: 0.57070672249551
Energy: 0.6040094522670034
Energy: 0.5207206840181031
Energy: 0.5213083410431018
Energy: 0.6038646930198412
Energy: 0.5207750757068896
Energy: 0.5216075049276915
Energy: 0.5358659508995586
Energy: 0.5933608918776647
Energy: 0.5536857513516548
Energy: 0.5362089333976112
Energy: 0.570770733768676
Energy: 0.5684317478165852
Energy: 0.5655141922170701
Energy: 0.5971639626286556
Energy: 0.5944733743029162
Energy: 0.5537828951332944
Energy: 0.6072149885860233
Energy: 0.5919437956145897
Energy: 0.6024309323856654
Energy: 0.54418875970402
Energy: 0.560973381325037
Energy: 0.6031902883510981
Energy: 0.561285009363527
Energy: 0.5537468256094467
Energy: 0.6092447896171247
Energy: 0.568069619353815
Energy: 0.5959435008340822
Energy: 0.5526861150271384
Energy: 0.5567566113178283
Energy: 0.5745387870152104
Energy: 0.521052008765065
Energy: 0.5968603406556231
Energy: 0.5481990182952998
Energy: 0.5209171718400573
Energy: 0.530597468770059
Energy: 0.5477045979444701
Energy: 0.5914159998397738
Energy: 0.5533914992904689
Energy: 0.5708603242288551
Energy: 0.5388014979114433
Energy: 0.5307360234032031
Energy: 0.5660682952135926
Energy: 0.6873071935991427
Energy: 0.5532546112380199
Energy: 0.5212437863350328
Energy: 0.5211762550284704
Energy: 0.6023219718427105
Energy: 0.5215091611584824

minimum gb energy = 0.5202781346842394 eV
minimum distance =  2.69278974208833 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.6613963156722131
Energy: 0.5596884898777033
Energy: 0.6091996447968442
Energy: 0.6092805488533931
Energy: 0.5583460212833165
Energy: 0.6085725038338309
Energy: 0.7816040124773516
Energy: 0.5839254148069106
Energy: 0.5839633730367076
Energy: 0.5679557974663358
Energy: 0.5842024141230467
Energy: 0.5846450324352874
Energy: 0.7656199978182942
Energy: 0.5541389953412146
Energy: 0.5597842811388559
Energy: 0.5329315558115971
Energy: 0.5517779612236527
Energy: 0.552051211636327
Energy: 0.7850473915544711
Energy: 0.581989607616963
Energy: 0.5522333620721146
Energy: 0.6053351054516074
Energy: 0.6474003311273844
Energy: 0.6102979247859752
Energy: 0.638758310117384
Energy: 0.5753070485401985
Energy: 0.5528132650623208
Energy: 0.5879159328269317
Energy: 0.5780662219159282
Energy: 0.6021142314216019
Energy: 0.5638841436315619
Energy: 0.6114142374693753
Energy: 0.6126111526472775
Energy: 0.5735975431709822
Energy: 0.6116747277509722
Energy: 0.52499666974134
Energy: 0.5598169266981043
Energy: 0.540238253753299
Energy: 0.5410599606689788
Energy: 0.5602012929499038
Energy: 0.5528034597721426
Energy: 0.5593286955359841
Energy: 0.5737580553947995
Energy: 0.6293953925400027
Energy: 0.629024950175189
Energy: 0.613406874918655
Energy: 0.604233140576735
Energy: 0.5495673842753888
Energy: 0.6658733176167396
Energy: 0.5901212108080692
Energy: 0.5639651088949428
Energy: 0.5801225874024948
Energy: 0.6043690427385227
Energy: 0.5802535578346495
Energy: 0.5976551914275163
Energy: 0.5739847060718775
Energy: 0.5446630496072978
Energy: 0.5711135884513614
Energy: 0.5562087633072128
Energy: 0.5708509818473528
Energy: 0.5988850895918968
Energy: 0.5701865771022213
Energy: 0.572681485893577
Energy: 0.555391160205354
Energy: 0.568533370372116
Energy: 0.5468398794948597
Energy: 0.7964275660888925
Energy: 0.5801736702556707
Energy: 0.5805108779273913
Energy: 0.594866990990429
Energy: 0.580297253271692
Energy: 0.6075007881434387

minimum gb energy = 0.52499666974134 eV
minimum distance =  2.60966637742084 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9551279950350317
Energy: 0.7403919406501588
Energy: 0.6481266426604999
Energy: 0.6360031426253377
Energy: 0.7405144141423324
Energy: 0.7865893424987309
Energy: 0.5701103687076432
Energy: 0.5435796506449351
Energy: 0.5439832429764275
Energy: 0.523148792349762
Energy: 0.5436118347182956
Energy: 0.5423960364929173
Energy: 0.6344004874122695
Energy: 0.5019407820236865
Energy: 0.5014479794281372
Energy: 0.5245317741474205
Energy: 0.5018563488384796
Energy: 0.5010597683189525
Energy: 0.6247334446905947
Energy: 0.5181013812496162
Energy: 0.5256223518738328
Energy: 0.524450312915347
Energy: 0.5054942293011137
Energy: 0.5652942519167229
Energy: 0.5808123315333559
Energy: 0.5567269818726696
Energy: 0.5517106163616069
Energy: 0.5796184284210175
Energy: 0.5793357050244973
Energy: 0.5490491793744374
Energy: 0.532909848500225
Energy: 0.6059621938072093
Energy: 0.5514329360108148
Energy: 0.5329672517216543
Energy: 0.6081690034519915
Energy: 0.55457923740301
Energy: 0.5434651315664715
Energy: 0.5318345990096215
Energy: 0.5447286986960587
Energy: 0.544321312531677
Energy: 0.5305661166282167
Energy: 0.5449325472017548
Energy: 0.5237405095255925
Energy: 0.5694987492698236
Energy: 0.5279874669893015
Energy: 0.523613522492204
Energy: 0.569337679420323
Energy: 0.5202837244952733
Energy: 0.5117498644097269
Energy: 0.5419116836223822
Energy: 0.5527730634256347
Energy: 0.6228421268164901
Energy: 0.5118139376690422
Energy: 0.5288196568853135
Energy: 0.6752256797276033
Energy: 0.526497072551295
Energy: 0.5278054062839312
Energy: 0.521757831608555
Energy: 0.6090955741482298
Energy: 0.49896251882579984
Energy: 0.6828682816556665
Energy: 0.519952029226825
Energy: 0.5214783155180224
Energy: 0.5227223700285026
Energy: 0.5228647357158714
Energy: 0.5197903910555527
Energy: 0.6098748398315653
Energy: 0.5332379801930068
Energy: 0.5325710656914171
Energy: 0.5892294811943841
Energy: 0.5352525800625539
Energy: 0.5323788809705925
Energy: 0.8505171700615455
Energy: 0.5186784016891425
Energy: 0.6049274565739797
Energy: 0.5860048682592952
Energy: 0.6070963951253858
Energy: 0.7141004617000051
Energy: 0.6098229827599337
Energy: 0.5338617300678146
Energy: 0.5195851817001429
Energy: 0.539716847470808
Energy: 0.5327703500540376
Energy: 0.573938104291372
Energy: 0.5025921417178757
Energy: 0.5330951783368758
Energy: 0.5318234585749675
Energy: 0.5113668853197822
Energy: 0.5312432320743116
Energy: 0.5902155046735482
Energy: 0.5072700286078381
Energy: 0.5573354680026218
Energy: 0.5027662602044904
Energy: 0.5099667552749736
Energy: 0.5222724957346017
Energy: 0.5009786888429827
Energy: 0.5435988319093107
Energy: 0.5947245492466945
Energy: 0.5515052793256324
Energy: 0.5435054493804533
Energy: 0.561600820700244
Energy: 0.5431390040948272
Energy: 0.5991232581459321
Energy: 0.655507350732339
Energy: 0.5477001027160658
Energy: 0.5986028795184878
Energy: 0.6548189996886729
Energy: 0.547134617154535
Energy: 0.5471235695534793
Energy: 0.5163968369355337
Energy: 0.5078377485360133
Energy: 0.5082132701901757
Energy: 0.5762622905686992
Energy: 0.5084209806025094
Energy: 0.5251642350289878
Energy: 0.5116269848567025
Energy: 0.5112470542478776
Energy: 0.5098331507132007
Energy: 0.5103622887951337
Energy: 0.511387916211739
Energy: 0.5264973778748235
Energy: 0.5082445806041439
Energy: 0.5080156957596083
Energy: 0.5077369582487041
Energy: 0.508543279817459
Energy: 0.5082000106657589
Energy: 0.7504491991024633
Energy: 0.5441224313083808
Energy: 0.5390184296558181
Energy: 0.7142647080788592
Energy: 0.5988123325539914
Energy: 0.5501433319678165
Energy: 0.7405749746465861
Energy: 0.5440344647131254
Energy: 0.5443044610680439
Energy: 0.6250586041140787
Energy: 0.5441203359601566
Energy: 0.5384084836608604
Energy: 0.6410318234414254
Energy: 0.501342777523941
Energy: 0.5012456950654048
Energy: 0.4903220990714691
Energy: 0.5049192412065677
Energy: 0.5019983382108595
Energy: 0.6534552648348919
Energy: 0.5039831921765764
Energy: 0.5017304895251153
Energy: 0.5738025618260275
Energy: 0.504122504571244
Energy: 0.5915968403677027
Energy: 0.569403410032604
Energy: 0.5408149646166317
Energy: 0.5327732922586894
Energy: 0.5453711636372383
Energy: 0.546041067107349
Energy: 0.5335505583457811
Energy: 0.6226110654663962
Energy: 0.6247393457933273
Energy: 0.6405071420318154
Energy: 0.6402268210799423
Energy: 0.6232840785687235
Energy: 0.5737908630057257
Energy: 0.546838940714347
Energy: 0.5475183115960064
Energy: 0.5331229494434431
Energy: 0.5464862290102607
Energy: 0.5704321732267321
Energy: 0.5465938756568461
Energy: 0.519497590972897
Energy: 0.5743641287889343
Energy: 0.5303228310552303
Energy: 0.5387106845523718
Energy: 0.5127433201543837
Energy: 0.5343313054377979
Energy: 0.6456630892713286
Energy: 0.56886255910327
Energy: 0.5337638540146651
Energy: 0.5107452309792166
Energy: 0.569277686961012
Energy: 0.5288005766729391
Energy: 0.48652721688223327
Energy: 0.5272075925995081
Energy: 0.5284593854513516
Energy: 0.4521813349201881
Energy: 0.5397079737751307
Energy: 0.6050706749435052
Energy: 0.7475676428947993
Energy: 0.5214952523486974
Energy: 0.5200967364276529
Energy: 0.6097137300557429
Energy: 0.5216426821319061
Energy: 0.5039481765959138
Energy: 0.6089895779121599
Energy: 0.5361976195709524
Energy: 0.5349146733790668
Energy: 0.5270733411061972
Energy: 0.5399964287652718
Energy: 0.5351135868096986
Energy: 0.7293523718679236
Energy: 0.5338605886844879
Energy: 0.5337593988348847
Energy: 0.587066888772017
Energy: 0.5345811803333956
Energy: 0.5311297059229985
Energy: 0.71712595572846
Energy: 0.5497956056902046
Energy: 0.5512686554296091
Energy: 0.5229397039507997
Energy: 0.5518334124354606
Energy: 0.5686890877186928
Energy: 0.5082118872062096
Energy: 0.5322884235585604
Energy: 0.5664901588161171
Energy: 0.5065560635702706
Energy: 0.5310730140463222
Energy: 0.5252287357726703
Energy: 0.5041586388279021
Energy: 0.5243957128199386
Energy: 0.4776786296370315
Energy: 0.49956224168697183
Energy: 0.527845531470652
Energy: 0.5026413108084171
Energy: 0.542432329772428
Energy: 0.5765490985547967
Energy: 0.5170144869083787
Energy: 0.5425903653359039
Energy: 0.5583824628544827
Energy: 0.5425579682825717
Energy: 0.543037873504315
Energy: 0.6373872703866406
Energy: 0.637683339362442
Energy: 0.5446999734754941
Energy: 0.6362407005936003
Energy: 0.6377055638922634
Energy: 0.595131018635508
Energy: 0.5397787350157727
Energy: 0.5444869579963016
Energy: 0.5431437909468424
Energy: 0.5516981683455755
Energy: 0.5424997926896735
Energy: 0.5232598231586593
Energy: 0.5119793762553215
Energy: 0.5051751710371448
Energy: 0.5100369982777415
Energy: 0.5118516002736421
Energy: 0.5118207258411949
Energy: 0.5259984642432923
Energy: 0.5116327663089553
Energy: 0.5120056789221661
Energy: 0.5080072545195483
Energy: 0.5109692979267466
Energy: 0.5113579433486451
Energy: 0.7382718766152282
Energy: 0.5434612455155127
Energy: 0.5431059112755173
Energy: 0.5571067563348356
Energy: 0.5439130777693882
Energy: 0.5384681133674251

minimum gb energy = 0.4521813349201881 eV
minimum distance =  2.64604324767604 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.3797313752652943
Energy: 0.5130802691965596
Energy: 0.3077207727092571
Energy: 0.28889474860602826
Energy: 0.5266364094756474
Energy: 0.39829994696931637
Energy: 0.5082604351113849
Energy: 0.5043743606071637
Energy: 0.44243504845527487
Energy: 0.4659743546253933
Energy: 0.46657902332356826
Energy: 0.49816016937076807
Energy: 0.5076515982450641
Energy: 0.4788779467786389
Energy: 0.48919783683456197
Energy: 0.5046450485187306
Energy: 0.4991570023006174
Energy: 0.4930756695436588
Energy: 0.5200545767891173
Energy: 0.49096431167465254
Energy: 0.5097366463947669
Energy: 0.5067503329537264
Energy: 0.5207408666680107
Energy: 0.4926680406949425
Energy: 0.5190531690335103
Energy: 0.33341166670723343
Energy: 0.34003292324387147
Energy: 0.520684239154168
Energy: 0.2878066727278428
Energy: 0.5110536613054579
Energy: 0.4979027209540224
Energy: 0.3327847275624391
Energy: 0.33276254715786235
Energy: 0.5118034902700418
Energy: 0.28759226663903076
Energy: 0.30631104788543717
Energy: 0.499582254374211
Energy: 0.46959588806012764
Energy: 0.48402469993866865
Energy: 0.4888950120328222
Energy: 0.49567384223355504
Energy: 0.5088778015688428
Energy: 0.4860790413682398
Energy: 0.48966565664814743
Energy: 0.4853123641070415
Energy: 0.4900910734820862
Energy: 0.49132059698231934
Energy: 0.4912167808159857
Energy: 0.5034538240897342
Energy: 0.47971982033852517
Energy: 0.49377289322590406
Energy: 0.4975006197309151
Energy: 0.4868276017859654
Energy: 0.5016318692123078
Energy: 0.28741400409464557
Energy: 0.5153345500903154
Energy: 0.30679576238847933
Energy: 0.2876098774515573
Energy: 0.5186941010678452
Energy: 0.2882402623021843
Energy: 0.2874819851063986
Energy: 0.4927886401680126
Energy: 0.48912866795236976
Energy: 0.28763608707755745
Energy: 0.4803494657417629
Energy: 0.3069549820075148
Energy: 0.5043497709753131
Energy: 0.48942030221367355
Energy: 0.4877684257058313
Energy: 0.49410687457291846
Energy: 0.47976898518956507
Energy: 0.48153258953989125
Energy: 0.5236582855662913
Energy: 0.5037080592769818
Energy: 0.5030040620739751
Energy: 0.5000746665669673
Energy: 0.49896232309211513
Energy: 0.4991854620491739
Energy: 0.5301212104643652
Energy: 0.49596308524887295
Energy: 0.4964087989921744
Energy: 0.5249901306807004
Energy: 0.49162368570999315
Energy: 0.49979037897878853
Energy: 0.5155884303258678
Energy: 0.2876757799620099
Energy: 0.28790406615534986
Energy: 0.5241600861386884
Energy: 0.3339671284537998
Energy: 0.34054344627032107
Energy: 0.49351133106879896
Energy: 0.504516714381882
Energy: 0.5048654227641178
Energy: 0.4942422458955959
Energy: 0.3329324848281242
Energy: 0.483820773638654
Energy: 0.4820617011324285
Energy: 0.48623086071645205
Energy: 0.5028085682253359
Energy: 0.503382462942813
Energy: 0.486287949318576
Energy: 0.4813648129711756
Energy: 0.5077056718964758
Energy: 0.5185144221219656
Energy: 0.5268402139146575
Energy: 0.5119086508711954
Energy: 0.5160708033504328
Energy: 0.48503374346135186
Energy: 0.3807275899259717
Energy: 0.4691771053243912
Energy: 0.43232497254537217
Energy: 0.2878819310249897
Energy: 0.48280234201323613
Energy: 0.5002045310101412

minimum gb energy = 0.28741400409464557 eV
minimum distance =  2.62533959921726 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.7969855220375052
Energy: 0.9087167669722827
Energy: 0.7144744012947676
Energy: 0.734013680730644
Energy: 0.9053326701674742
Energy: 0.7147185716823443
Energy: 0.5819937799268171
Energy: 0.49426858197705986
Energy: 0.4953766089576773
Energy: 0.5367451682411465
Energy: 0.5002057548516045
Energy: 0.5006365400423853
Energy: 0.4745032135931496
Energy: 0.48272163307773563
Energy: 0.49706029418463726
Energy: 0.47531241304564714
Energy: 0.48043150950181546
Energy: 0.49387168424970235
Energy: 0.4738988243227455
Energy: 0.5004149218270549
Energy: 0.5402395521465517
Energy: 0.47493700564835856
Energy: 0.48167225622872756
Energy: 0.4849681668995903
Energy: 0.5065135507294596
Energy: 0.5183467481222823
Energy: 0.5132145173115272
Energy: 0.4880928487261409
Energy: 0.5400045560324335
Energy: 0.5061703429539341
Energy: 0.6309658103765783
Energy: 0.6214697947081183
Energy: 0.6482033731885836
Energy: 0.5826028203640308
Energy: 0.684739820071005
Energy: 0.5183794093106491
Energy: 0.5633689152111964
Energy: 0.48119635131783384
Energy: 0.48297446873248384
Energy: 0.4852483698426253
Energy: 0.5086935362694213
Energy: 0.4924534472762035
Energy: 0.49729170835706804
Energy: 0.5012379961898851
Energy: 0.49381599773783946
Energy: 0.49830028537785115
Energy: 0.4964299698425856
Energy: 0.5383557929561252
Energy: 0.5831714683477968
Energy: 0.4874842191712478
Energy: 0.48468102117933926
Energy: 0.4822851423149477
Energy: 0.4839772908512603
Energy: 0.46597332067766967
Energy: 0.6987607751963408
Energy: 0.48523644387582393
Energy: 0.48770187936408677
Energy: 0.56702430157233
Energy: 0.489429798845821
Energy: 0.5306024926801675
Energy: 0.7001943930220221
Energy: 0.482448348876796
Energy: 0.47953010023375214
Energy: 0.5402286611858022
Energy: 0.555099413316432
Energy: 0.4884308958143355
Energy: 0.6254202286951256
Energy: 0.46426229302463023
Energy: 0.48945766147570113
Energy: 0.6298203370037646
Energy: 0.46161639996275916
Energy: 0.5146141879174291
Energy: 0.5238118962856017
Energy: 0.5834477064576951
Energy: 0.5581031710078189
Energy: 0.5232097127277664
Energy: 0.4594201632361594
Energy: 0.505819855603008
Energy: 0.5021520829241445
Energy: 0.450253880399528
Energy: 0.48194169279654686
Energy: 0.502659708947114
Energy: 0.47199289333020966
Energy: 0.4664226506170811
Energy: 0.6310835534481063
Energy: 0.6474266859293856
Energy: 0.6177022185664808
Energy: 0.6328409436578013
Energy: 0.5760209294522041
Energy: 0.6217287344497385
Energy: 0.6884603681073487
Energy: 0.500496271749993
Energy: 0.4770323893153607
Energy: 0.5936919564036246
Energy: 0.5016533050143348
Energy: 0.46518622454437825
Energy: 0.6177532555297318
Energy: 0.6570890582226424
Energy: 0.5805676929087173
Energy: 0.4583411975978609
Energy: 0.6641977658853474
Energy: 0.5736873181130899
Energy: 0.6814175260055646
Energy: 0.5001959053401304
Energy: 0.4957847696755354
Energy: 0.495208444583608
Energy: 0.5002301068579323
Energy: 0.4955456073779594
Energy: 0.6532775571786068
Energy: 0.5014201992354376
Energy: 0.5106825963228359
Energy: 0.4772151466794517
Energy: 0.5058221265562104
Energy: 0.47992318112743926
Energy: 0.5554982822218439
Energy: 0.5688676545053274
Energy: 0.5339011809978236
Energy: 0.47508429781680134
Energy: 0.5664420725698804
Energy: 0.614298479287572
Energy: 0.6768563006486682
Energy: 0.5050279462886581
Energy: 0.4812565399164292
Energy: 0.4894203114514421
Energy: 0.5053043594482997
Energy: 0.47818039482170316
Energy: 0.7351366635057396
Energy: 0.6627374713520504
Energy: 0.6632931144888885
Energy: 0.7371534949323703
Energy: 0.6937586276253104
Energy: 0.5625497818266456
Energy: 0.49243597803031725
Energy: 0.4763428032500547
Energy: 0.4820697860975919
Energy: 0.4932835728620942
Energy: 0.4783080043658494
Energy: 0.47792018196016944
Energy: 0.4809653702988532
Energy: 0.5485457133191084
Energy: 0.4992184994340172
Energy: 0.4820740237098289
Energy: 0.4766778124912432
Energy: 0.48931523380184777
Energy: 0.5467706490637276
Energy: 0.4827952953240521
Energy: 0.4921108559579365
Energy: 0.543120307169537
Energy: 0.4801422279275439
Energy: 0.5102803889492009
Energy: 0.713121656710316
Energy: 0.5128262121151772
Energy: 0.49549230136629036
Energy: 0.5062727652351564
Energy: 0.4898990566303324
Energy: 0.506326668400726

minimum gb energy = 0.450253880399528 eV
minimum distance =  2.56797644986185 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.7736138532259196
Energy: 0.8168246049073897
Energy: 0.746211134136704
Energy: 0.7270027271684534
Energy: 0.8858165205923635
Energy: 0.7024341102826923
Energy: 0.6444560923880517
Energy: 0.5057673667122319
Energy: 0.5091049034374345
Energy: 0.4894116305570739
Energy: 0.505342512741052
Energy: 0.4897748462487079
Energy: 0.5106923849803365
Energy: 0.5275016192807073
Energy: 0.5101387729720086
Energy: 0.5105891412837353
Energy: 0.5091102890611154
Energy: 0.4889813558561201
Energy: 0.5090029912467144
Energy: 0.4965147806654629
Energy: 0.48423044094364315
Energy: 0.5100656317358601
Energy: 0.5099383331349798
Energy: 0.5608981968500814
Energy: 0.5055685959412349
Energy: 0.48431243838055754
Energy: 0.4785234892862724
Energy: 0.5059051513348884
Energy: 0.5668725070762712
Energy: 0.5361021033382192
Energy: 0.6383748027275794
Energy: 0.6833011158790291
Energy: 0.611385556080131
Energy: 0.6726744964930101
Energy: 0.6094768392353245
Energy: 0.6190917768570993
Energy: 0.6138673723239073
Energy: 0.5058831310121465
Energy: 0.5051364680487096
Energy: 0.5069804216213865
Energy: 0.5218383436134578
Energy: 0.5174073627545802
Energy: 0.5340299341215994
Energy: 0.5338743226098701
Energy: 0.5219395013822687
Energy: 0.5351632125028254
Energy: 0.5325888262021453
Energy: 0.5498098077275435
Energy: 0.6373105505308722
Energy: 0.49613228363864365
Energy: 0.5057341404725634
Energy: 0.4968865353835355
Energy: 0.4967128423797158
Energy: 0.4768444062082339
Energy: 0.6301092190536187
Energy: 0.5489655665332318
Energy: 0.49640369276838514
Energy: 0.5091731449720853
Energy: 0.6222953030724857
Energy: 0.520508118346042
Energy: 0.6270094393535771
Energy: 0.4971739989636295
Energy: 0.5124802183907854
Energy: 0.5067734513663498
Energy: 0.5258399777311565
Energy: 0.4882039014421786
Energy: 0.6529195700644184
Energy: 0.4722497451100067
Energy: 0.5049199970894149
Energy: 0.7144818577942031
Energy: 0.4744220767064802
Energy: 0.510094365872816
Energy: 0.497042477289218
Energy: 0.5913885115313912
Energy: 0.5649898434315505
Energy: 0.49707578859324186
Energy: 0.4714618454480215
Energy: 0.5460203792626543
Energy: 0.4968246880670481
Energy: 0.4974720265443395
Energy: 0.47617403429487437
Energy: 0.4976451703963915
Energy: 0.494213939163805
Energy: 0.49487311609878404
Energy: 0.5391427215627788
Energy: 0.6026131669991884
Energy: 0.5306750678609655
Energy: 0.5378602176569665
Energy: 0.5981659350165944
Energy: 0.5311600487081655
Energy: 0.6234815201273816
Energy: 0.5172554676825859
Energy: 0.5032772311459176
Energy: 0.5073686421711427
Energy: 0.5056949530209301
Energy: 0.49255182897499433
Energy: 0.7261395793708474
Energy: 0.6298758798962096
Energy: 0.6966972681430976
Energy: 0.4759183411933553
Energy: 0.6299841747848981
Energy: 0.562992075019706
Energy: 0.7431554523606424
Energy: 0.50528275819217
Energy: 0.5147257305855966
Energy: 0.5094826040591056
Energy: 0.5055415463952194
Energy: 0.4541996968290506
Energy: 0.5100700170818118
Energy: 0.5043383060744042
Energy: 0.5078890233109462
Energy: 0.5088704288515288
Energy: 0.5089930510466066
Energy: 0.4858451984368003
Energy: 0.5112093882165268
Energy: 0.49237951695191473
Energy: 0.5225909009942661
Energy: 0.5112523549435402
Energy: 0.5094997092988206
Energy: 0.5392662651828851
Energy: 0.5057745103336416
Energy: 0.51051875315775
Energy: 0.485906601473417
Energy: 0.5060802556923173
Energy: 0.5452530758529225
Energy: 0.5188085720440277
Energy: 0.7697232621553927
Energy: 0.7048071945943237
Energy: 0.6177041095470144
Energy: 0.768427746172751
Energy: 0.6573815334403281
Energy: 0.6203578159940226
Energy: 0.6174338511346207
Energy: 0.5043591733003389
Energy: 0.48690060978495964
Energy: 0.5069500813536667
Energy: 0.4963772082293314
Energy: 0.543393107140348
Energy: 0.5340188094374453
Energy: 0.5473256554443858
Energy: 0.5247329516803839
Energy: 0.5355569331757044
Energy: 0.5227890205378033
Energy: 0.5878733975680192
Energy: 0.6143405407536046
Energy: 0.49645363892713246
Energy: 0.506339255070047
Energy: 0.5080117043909095
Energy: 0.4972094834013069
Energy: 0.4881253289104699
Energy: 0.6276060253851984
Energy: 0.4973525085981856
Energy: 0.5125456271225955
Energy: 0.513261672566587
Energy: 0.49735049944386445
Energy: 0.4804492545711285
Energy: 0.6356724160433801
Energy: 0.4971848299907641
Energy: 0.5129207042622566
Energy: 0.5072520886905202
Energy: 0.6421101362358264
Energy: 0.5269453513364323
Energy: 0.7117692205724375
Energy: 0.4651119239565636
Energy: 0.4885554150985002
Energy: 0.5230235419731977
Energy: 0.47274350279975136
Energy: 0.508164904863358
Energy: 0.6369137445116216
Energy: 0.6309290586080587
Energy: 0.5527992331364164
Energy: 0.6417455267198385
Energy: 0.6482548176947742
Energy: 0.5589011093024017
Energy: 0.49606111412114245
Energy: 0.5114690341613106
Energy: 0.4884622652663042
Energy: 0.4961904428232298
Energy: 0.5068156286278478
Energy: 0.48424936923628176
Energy: 0.5315643449454013
Energy: 0.6046341115465835
Energy: 0.5232923107171555
Energy: 0.5317095020213234
Energy: 0.6159990044067746
Energy: 0.5237988512105428
Energy: 0.5866914438484568
Energy: 0.5087052247379333
Energy: 0.4856653210677624
Energy: 0.6011511274391442
Energy: 0.5065712996025384
Energy: 0.5077381938959622
Energy: 0.7272682153113553
Energy: 0.515403176443356
Energy: 0.47191930807376625
Energy: 0.47227670153029505
Energy: 0.6463337865540294
Energy: 0.4715256962789712

minimum gb energy = 0.4541996968290506 eV
minimum distance =  2.5795626121281 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.6023470731161792
Energy: 0.8576575190714893
Energy: 0.6644280572368477
Energy: 0.6039594287622402
Energy: 0.8603889747085183
Energy: 0.6592972217652382
Energy: 0.6601928108113931
Energy: 0.5293628796038291
Energy: 0.5008300375977184
Energy: 0.49541055335697887
Energy: 0.5365575858908339
Energy: 0.523600279151335
Energy: 0.5383511736576274
Energy: 0.5279402925216738
Energy: 0.5276889759830917
Energy: 0.5390133156892194
Energy: 0.556503597802381
Energy: 0.5004103849442172
Energy: 0.5354036260359938
Energy: 0.5589370034034911
Energy: 0.49773833243461
Energy: 0.5361357630988239
Energy: 0.5004362796961376
Energy: 0.4990419942920341
Energy: 0.5355446633761152
Energy: 0.5292706210708495
Energy: 0.568911489701022
Energy: 0.5358030652236904
Energy: 0.5587396168545355
Energy: 0.5985652697820493
Energy: 0.6865247258935742
Energy: 0.6596101539074968
Energy: 0.6491787225285919
Energy: 0.7296984486312716
Energy: 0.62421583800811
Energy: 0.558938259505904
Energy: 0.6642634669759611
Energy: 0.48769585297757656
Energy: 0.5205875828064508
Energy: 0.5358270777596899
Energy: 0.5080539155530758
Energy: 0.5239189620508983
Energy: 0.6035005614953941
Energy: 0.583478329537624
Energy: 0.535082661646191
Energy: 0.6046447227536598
Energy: 0.5800284952752327
Energy: 0.5948575738340369
Energy: 0.5885213439149262
Energy: 0.48850160925215025
Energy: 0.4882900416750871
Energy: 0.52520792063579
Energy: 0.4869839293025915
Energy: 0.4896866295873523
Energy: 0.7063298998271924
Energy: 0.5620203720050186
Energy: 0.5627444895489129
Energy: 0.5540449885407475
Energy: 0.5616778317417772
Energy: 0.5625578019948754
Energy: 0.7065938228430266
Energy: 0.49460349532293313
Energy: 0.5214363546746421
Energy: 0.5335150579010892
Energy: 0.6285278201478893
Energy: 0.5236201337409216
Energy: 0.6976703316636833
Energy: 0.48323236198208636
Energy: 0.4790312937873854
Energy: 0.6858240515545239
Energy: 0.4803012312076956
Energy: 0.5213747322348218
Energy: 0.5351701265706316
Energy: 0.634534306784137
Energy: 0.566713434387687
Energy: 0.5356266840777006
Energy: 0.4799910516305739
Energy: 0.5665469193950856
Energy: 0.5343463893659803
Energy: 0.5358605441472026
Energy: 0.4982751442676748
Energy: 0.5352663678224736
Energy: 0.5253026841187842
Energy: 0.4977933855269012
Energy: 0.49802146970935
Energy: 0.5512277200457465
Energy: 0.5847951417914357
Energy: 0.5546939180568692
Energy: 0.5524865995736785
Energy: 0.5239210625255346
Energy: 0.536893512056107
Energy: 0.5310593376337858
Energy: 0.4984596398992202
Energy: 0.49261292075997576
Energy: 0.5366379113833113
Energy: 0.49897251530977976
Energy: 0.7103972790540323
Energy: 0.625189408214031
Energy: 0.5611232316375345
Energy: 0.5490962068606953
Energy: 0.6241745918603168
Energy: 0.5668871070299375
Energy: 0.6993919133409958
Energy: 0.5727581386949964
Energy: 0.6273220559671567
Energy: 0.5373155191717544
Energy: 0.5349672661447817
Energy: 0.6118102384336805
Energy: 0.626180230524909
Energy: 0.6266818528411437
Energy: 0.5756746230552335
Energy: 0.6323872349586382
Energy: 0.6330805954088824
Energy: 0.4977881842225772
Energy: 0.49074164548559396
Energy: 0.5905116344651203
Energy: 0.5102534995853553
Energy: 0.488212748256119
Energy: 0.6265339355795105
Energy: 0.5209142967824987
Energy: 0.4882253166172611
Energy: 0.5549615431137991
Energy: 0.5232846023179697
Energy: 0.4890080186567543
Energy: 0.5327246558821079
Energy: 0.48999786049650335
Energy: 0.5527374443292549
Energy: 0.6559679657200285
Energy: 0.5995946458303684
Energy: 0.5527980954394178
Energy: 0.6334408907808378
Energy: 0.5531254865676646
Energy: 0.6275790585342066
Energy: 0.5304868436601784
Energy: 0.5236974847447995
Energy: 0.4937654384814417
Energy: 0.5357564939264553
Energy: 0.532106532866492
Energy: 0.6036602782497544
Energy: 0.667447676013398
Energy: 0.6279841938184154
Energy: 0.6177062897029388
Energy: 0.6139387865551912
Energy: 0.6277864274962472
Energy: 0.7994404323415808
Energy: 0.535894137816824
Energy: 0.5001441450570389
Energy: 0.48252699287197487
Energy: 0.5364965587051566
Energy: 0.5228443838674831
Energy: 0.5358614886116703
Energy: 0.5257359774563899
Energy: 0.5218371206443817
Energy: 0.5594588450710397
Energy: 0.526852337110765
Energy: 0.49975261290284284
Energy: 0.5377428853279334
Energy: 0.5018567456286978
Energy: 0.49945872440208505
Energy: 0.5381784597543253
Energy: 0.5539742211441632
Energy: 0.5018772635198525
Energy: 0.5358654098442578
Energy: 0.573801251462621
Energy: 0.6125035808066358
Energy: 0.5359965272182479
Energy: 0.5593954427830883
Energy: 0.6120596361670915
Energy: 0.6149806419572313
Energy: 0.6608669658859937
Energy: 0.6587877023009074
Energy: 0.6161002138605112
Energy: 0.639983516160795
Energy: 0.6094700836605743
Energy: 0.6724668124117079
Energy: 0.48732200544901505
Energy: 0.5209215706071443
Energy: 0.5368942366139381
Energy: 0.5075034177972729
Energy: 0.5226570556837628
Energy: 0.6032841693441621
Energy: 0.5543204900038117
Energy: 0.5149449509019295
Energy: 0.605203765713037
Energy: 0.5860297263826746
Energy: 0.6416354832330574
Energy: 0.5904347439369599
Energy: 0.48715956370281605
Energy: 0.4875813346627088
Energy: 0.5358137903088477
Energy: 0.4892510263822551
Energy: 0.5226414959940157
Energy: 0.711758466921431
Energy: 0.490340974475116
Energy: 0.48861977765144354
Energy: 0.551398611482941
Energy: 0.48869157973735444
Energy: 0.4883932433198599
Energy: 0.7092178477040461
Energy: 0.49358041417121046
Energy: 0.4943038283303628
Energy: 0.5343076609369578
Energy: 0.5526592921828296
Energy: 0.5254954295600553
Energy: 0.6854217633741935
Energy: 0.4839090648914541
Energy: 0.5502275174520305
Energy: 0.6891578935740609
Energy: 0.48080192705261543
Energy: 0.5222173077232479
Energy: 0.6140269524689747
Energy: 0.6354779170526751
Energy: 0.6361209518537297
Energy: 0.6162706826300192
Energy: 0.6357118387342668
Energy: 0.6352695121211371
Energy: 0.5351697277603378
Energy: 0.5353671000361283
Energy: 0.49915139806418146
Energy: 0.5350053819400882
Energy: 0.5229607156609725
Energy: 0.4987298637321516
Energy: 0.49667959225521346
Energy: 0.5834761647346905
Energy: 0.49863905374792833
Energy: 0.4971925277944009
Energy: 0.5514672357726257
Energy: 0.4995901450011206
Energy: 0.5365613241317041
Energy: 0.5234822127680061
Energy: 0.5000146800460754
Energy: 0.5324681044496381
Energy: 0.5358686086449516
Energy: 0.4975450497869223
Energy: 0.7103696418146367
Energy: 0.535147506359402
Energy: 0.5731689170395359
Energy: 0.5426461652944373
Energy: 0.5357329458778313
Energy: 0.568135155191553
Energy: 0.7012609741571274
Energy: 0.5723253280184911
Energy: 0.585265709997682
Energy: 0.5393938559098261
Energy: 0.5710143670047512
Energy: 0.5676262256691267
Energy: 0.53542706645701
Energy: 0.5903998417666275
Energy: 0.5795162896021134
Energy: 0.5328783075794464
Energy: 0.6063824990678887
Energy: 0.4991345666845801
Energy: 0.49038308370471945
Energy: 0.62773721021076
Energy: 0.5708961006522831
Energy: 0.5095008816616312
Energy: 0.6265354667114706
Energy: 0.47964669734570575
Energy: 0.48660593528389623
Energy: 0.5500711021723794
Energy: 0.5222730680137235
Energy: 0.4874419718440345
Energy: 0.5274753655189334
Energy: 0.48875846796141814
Energy: 0.5935525303535815
Energy: 0.6486937843395624
Energy: 0.5773635889036476
Energy: 0.5982858381207714
Energy: 0.633858023119241
Energy: 0.5983871500653642
Energy: 0.618649596114107
Energy: 0.5228884315871857
Energy: 0.5236584721528683
Energy: 0.4936998064076462
Energy: 0.5361106829364802
Energy: 0.5209236474526274
Energy: 0.8410253766296395
Energy: 0.6083430672399159
Energy: 0.6279020056862632
Energy: 0.4810323447746769
Energy: 0.6091520910445337
Energy: 0.6359613807719215

minimum gb energy = 0.4790312937873854 eV
minimum distance =  2.63191879159393 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.6552149532640063
Energy: 0.6185351950492483
Energy: 0.46826933694969153
Energy: 0.6575646391045976
Energy: 0.6175640988202735
Energy: 0.6390053335824121
Energy: 0.5633421125848757
Energy: 0.4094000755769405
Energy: 0.4083407695084827
Energy: 0.41056896351539274
Energy: 0.40998304875979463
Energy: 0.4079425836840221
Energy: 0.54946003398636
Energy: 0.38113332135386035
Energy: 0.4171043246997672
Energy: 0.5490796822979469
Energy: 0.40545710205862995
Energy: 0.4114485181598745
Energy: 0.5127666179702491
Energy: 0.4119185895513535
Energy: 0.4108739646954783
Energy: 0.4101713379438966
Energy: 0.410539476204675
Energy: 0.4104488997028186
Energy: 0.5132784628819221
Energy: 0.41043939896330756
Energy: 0.4105951972538964
Energy: 0.5136434454408729
Energy: 0.42371597161027885
Energy: 0.4103531381255237
Energy: 0.521940045415161
Energy: 0.4170341320283503
Energy: 0.4185603156013061
Energy: 0.522261452247265
Energy: 0.5412809406635312
Energy: 0.5105758718230434
Energy: 0.6866402837381992
Energy: 0.4095935021067048
Energy: 0.4090278959999982
Energy: 0.5292114543917442
Energy: 0.40972752032265747
Energy: 0.40885001662415116

minimum gb energy = 0.38113332135386035 eV
minimum distance =  2.77012153062437 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.8152747511471004
Energy: 0.8677360230659881
Energy: 0.6255360745837645
Energy: 0.7890698078960949
Energy: 0.8459069060928207
Energy: 0.6520325462362448
Energy: 0.6556115908152544
Energy: 0.6189905062621791
Energy: 0.5799606567342005
Energy: 0.6207450150833899
Energy: 0.643918141074564
Energy: 0.548506763703565
Energy: 0.6238030968164558
Energy: 0.4942453259202245
Energy: 0.4940572837253735
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Energy: 0.5215551892811092
Energy: 0.5172317499460835
Energy: 0.4930110395569787
Energy: 0.5091804423812449
Energy: 0.5128600623377508
Energy: 0.4952409513702325
Energy: 0.5087223613872074
Energy: 0.5217462031365969
Energy: 0.5100033550759875
Energy: 0.5095305957746162
Energy: 0.523235785287021
Energy: 0.5492868531137706
Energy: 0.5130286890066772
Energy: 0.6039786414800538
Energy: 0.5915576660740327
Energy: 0.5472072418673495
Energy: 0.5878492263266623
Energy: 0.5579400953071993
Energy: 0.586950374964512
Energy: 0.5932823862914758
Energy: 0.609107814269689
Energy: 0.5980155893495919
Energy: 0.6053736289916508
Energy: 0.6173459893920984
Energy: 0.5712495622982771
Energy: 0.7659798108267455
Energy: 0.7892593632648157
Energy: 0.6356192725036722
Energy: 0.7562521094128803
Energy: 0.7823141175271358
Energy: 0.5976702911544388
Energy: 0.596420397629674
Energy: 0.5547103501538005
Energy: 0.5581923563033427
Energy: 0.6218549529042617
Energy: 0.6258931588190579
Energy: 0.5672839164888491
Energy: 0.7701272618596756
Energy: 0.5100265138855622
Energy: 0.5094293478722359
Energy: 0.7627846085584427
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Energy: 0.6070199981130366
Energy: 0.6329977138517634
Energy: 0.5000102860116459
Energy: 0.5498886899231236
Energy: 0.6075318654306544
Energy: 0.573128660983856
Energy: 0.598963082085888
Energy: 0.6361959309728719
Energy: 0.6036002551257081
Energy: 0.5626166982845667
Energy: 0.6151826046625976
Energy: 0.6258794464609077
Energy: 0.5600545824972362
Energy: 0.6331117378297303
Energy: 0.5446798379532414
Energy: 0.5151389920948664
Energy: 0.6197694912827187
Energy: 0.5112840396192951
Energy: 0.5136240652999744
Energy: 0.6579322745444228
Energy: 0.5140686464501806
Energy: 0.5081482823450545
Energy: 0.5880462428546396
Energy: 0.5094819768809495
Energy: 0.5094493972440489
Energy: 0.6779207573775363
Energy: 0.5160092961595316
Energy: 0.5407774539363447
Energy: 0.6704012865386282
Energy: 0.513600996479776
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Energy: 0.6530182903022396
Energy: 0.5362457398604067
Energy: 0.5127364705140061
Energy: 0.6537606432981793
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Energy: 0.7007434362668902
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Energy: 0.6642520872130533
Energy: 0.5758025708219183
Energy: 0.5552091535995163
Energy: 0.743591219785948
Energy: 0.6570667258979273
Energy: 0.5162144988678173
Energy: 0.5063058587651641
Energy: 0.6537911713260551
Energy: 0.5094053901150498
Energy: 0.7245041332562536
Energy: 0.5494487915748776
Energy: 0.5293895035466867
Energy: 0.510467953710801
Energy: 0.5567278872651369
Energy: 0.5102160931008479
Energy: 0.5887744485377611
Energy: 0.5559228088100832
Energy: 0.5573078098079218
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Energy: 0.5499013272912242
Energy: 0.5853494066780638
Energy: 0.6182274039088533
Energy: 0.6295423798224271
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Energy: 0.5496734439682673
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Energy: 0.5422471656027837
Energy: 0.5507430646272674
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Energy: 0.5107650729228876
Energy: 0.665834223914933
Energy: 0.5882222190398676
Energy: 0.5131057277860254
Energy: 0.8080876046518382
Energy: 0.7166589773049541
Energy: 0.6035023540121243
Energy: 0.4881633552970652
Energy: 0.7115123262621755
Energy: 0.6057972230671244
Energy: 0.7512053881498841
Energy: 0.6575980879389829
Energy: 0.6267996836549947
Energy: 0.4881804169509449
Energy: 0.6480662736093391
Energy: 0.546928829078313
Energy: 0.6341008168101357
Energy: 0.5107808491986588
Energy: 0.5121613546267433
Energy: 0.6383157930754941
Energy: 0.5898359132305132
Energy: 0.5123541638389882
Energy: 0.5164718686210115
Energy: 0.49577876412763444
Energy: 0.49318540504384933
Energy: 0.5138630868251839
Energy: 0.4918561393213653
Energy: 0.5138835706326538
Energy: 0.5076381056491414
Energy: 0.5521151847890657
Energy: 0.509262819693316
Energy: 0.5091658995047644
Energy: 0.5997806103862882
Energy: 0.509377649606712
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Energy: 0.5869945491108612
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Energy: 0.5528268480255828
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Energy: 0.5021933448039644
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Energy: 0.6322847897725589
Energy: 0.5827686417685006
Energy: 0.5588022866563545
Energy: 0.6842959635953467
Energy: 0.5843564520535997
Energy: 0.7094909157595569
Energy: 0.5013247711655084
Energy: 0.49871027630708986
Energy: 0.682379484346494
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Energy: 0.6380912523267689
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Energy: 0.5092307989773377
Energy: 0.6273658519977682
Energy: 0.5098580285718839
Energy: 0.6373268543428525
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Energy: 0.5721978350435343
Energy: 0.5546277281266493
Energy: 0.6064072332762193
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Energy: 0.6382028111644494
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Energy: 0.5224759899026484
Energy: 0.602893717789676
Energy: 0.5053916963721744
Energy: 0.5175079114335708
Energy: 0.5589428892383188
Energy: 0.5094072167772319
Energy: 0.5081943419821764
Energy: 0.6773980235532585
Energy: 0.5095089871401705
Energy: 0.5095571244841441
Energy: 0.5581215726643921
Energy: 0.5102935066267544
Energy: 0.5098741614111453
Energy: 0.6739147917944266
Energy: 0.5146398202281761
Energy: 0.5104532823386264
Energy: 0.6131014674040995
Energy: 0.6400620370394086
Energy: 0.5137033645591357
Energy: 0.6917319274082493
Energy: 0.5553402282177294
Energy: 0.572970392160325
Energy: 0.7094322510767276
Energy: 0.5358359111042851
Energy: 0.6692068854473157
Energy: 0.7433571098965308
Energy: 0.5568172104469531
Energy: 0.5669901455713992
Energy: 0.724787809718992
Energy: 0.5626944695133452
Energy: 0.6704089885809785
Energy: 0.5592502428969169
Energy: 0.5325375020877435
Energy: 0.5215066094379281
Energy: 0.5699445248443473
Energy: 0.665999177227136
Energy: 0.5176290789125643
Energy: 0.7213507879115635
Energy: 0.5562839641828795
Energy: 0.5672948628817807
Energy: 0.7134222375673153
Energy: 0.5555427382981504
Energy: 0.5378875405172971
Energy: 0.5642159914467593
Energy: 0.5442093780355265
Energy: 0.5332150886233475
Energy: 0.5574880400397537
Energy: 0.5467156946552206
Energy: 0.5262787905635122
Energy: 0.5986465024811951
Energy: 0.5752511956115938
Energy: 0.5874381927076229
Energy: 0.5928308599590125
Energy: 0.5945850965978108
Energy: 0.6127456931974704
Energy: 0.5681494941475957
Energy: 0.6065842137451501
Energy: 0.5631001459008067
Energy: 0.569621378390969
Energy: 0.6172002659156508
Energy: 0.5685133367140531
Energy: 0.5583696279830219
Energy: 0.5000435287103336
Energy: 0.512526138498716
Energy: 0.5574887428655992
Energy: 0.5046654472486739
Energy: 0.5111447109736035
Energy: 0.6707284954005017
Energy: 0.5023659635416442
Energy: 0.5024369442247709
Energy: 0.6752172207553746
Energy: 0.49940938480655195
Energy: 0.5179633606800027
Energy: 0.6120931361311017
Energy: 0.6384626092992505
Energy: 0.6268196540900944
Energy: 0.6316705017450815
Energy: 0.6761268714910763
Energy: 0.5749024156713991

minimum gb energy = 0.4881633552970652 eV
minimum distance =  2.56061977585996 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.8225395083806112
Energy: 0.647279240824456
Energy: 0.5147139991645785
Energy: 0.515183340147705
Energy: 0.6157692154382405
Energy: 0.5366202108983009
Energy: 0.5234047892918752
Energy: 0.5280360276229381
Energy: 0.53863208474518
Energy: 0.5373697048793651
Energy: 0.5259426669464585
Energy: 0.5627745473289404
Energy: 0.5236917970001257
Energy: 0.5459411989952813
Energy: 0.5851255307957258
Energy: 0.6114357689572131
Energy: 0.5091860136508563
Energy: 0.557980039102335
Energy: 0.5212625721467274
Energy: 0.5388290948753965
Energy: 0.5263512883006979
Energy: 0.520472501190448
Energy: 0.510101100170212
Energy: 0.5228490150924063
Energy: 0.5264338191847373
Energy: 0.561778990874345
Energy: 0.5388503934606076
Energy: 0.5258423058391803
Energy: 0.555765566432368
Energy: 0.5273341836252766
Energy: 0.6455169203028496
Energy: 0.5505707379691483
Energy: 0.5586410494300224
Energy: 0.6316935045115362
Energy: 0.5530717005877593
Energy: 0.5566782500679366
Energy: 0.6463481806569256
Energy: 0.5302964708283145
Energy: 0.5367925976075363
Energy: 0.6329009821929491
Energy: 0.5351173531270826
Energy: 0.5532900292711195
Energy: 0.6983586751219797
Energy: 0.7615610050059448
Energy: 0.7577390903850172
Energy: 0.5413108749018212
Energy: 0.7315890957927165
Energy: 0.5772432268718433
Energy: 0.6390226250956674
Energy: 0.5325518104011905
Energy: 0.5553346481835184
Energy: 0.6357676274083786
Energy: 0.5381601906290544
Energy: 0.5550802863146396
Energy: 0.6458777706112739
Energy: 0.48758202366393893
Energy: 0.4874301056758705
Energy: 0.6482626402728555
Energy: 0.48770814374938803
Energy: 0.48725002543732737
Energy: 0.5411935055868141
Energy: 0.4875224393990225
Energy: 0.4872023917298786
Energy: 0.5397706270132313
Energy: 0.5336632668491926
Energy: 0.5405918966095196
Energy: 0.508591104815091
Energy: 0.5349426045785876
Energy: 0.5559224318339481
Energy: 0.5091835646959636
Energy: 0.5932080345811482
Energy: 0.549840336681365
Energy: 0.5123787867885272
Energy: 0.5277015369156978
Energy: 0.525792893850062
Energy: 0.5077664215707328
Energy: 0.5275298733400916
Energy: 0.5492625786588574
Energy: 0.5406345006467593
Energy: 0.5242727058882042
Energy: 0.5433519275793702
Energy: 0.5504045255003891
Energy: 0.5256558406662459
Energy: 0.5515257029830476
Energy: 0.7007957409868493
Energy: 0.5877942285592607
Energy: 0.5921268196468955
Energy: 0.5519928404028951
Energy: 0.5431422243934809
Energy: 0.5535449286924872
Energy: 0.5299787393803035
Energy: 0.5626269692765868
Energy: 0.5587036671417711
Energy: 0.5312322203394372
Energy: 0.6485088519160659
Energy: 0.5616611238292767
Energy: 0.7257485095232651
Energy: 0.54503395083801
Energy: 0.5035421898262189
Energy: 0.6998661912469594
Energy: 0.5417884159854611
Energy: 0.5389143106536298
Energy: 0.5163627097141288
Energy: 0.5590388692509207
Energy: 0.5637520756919819
Energy: 0.5798920366174622
Energy: 0.5643222999302505
Energy: 0.5557045665550078
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Energy: 0.6413927267551244
Energy: 0.4868590600006091
Energy: 0.48747214767584224
Energy: 0.6402368645605403
Energy: 0.48712688627166306
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Energy: 0.5469545213410358
Energy: 0.48679627787646607
Energy: 0.4877056921035083
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Energy: 0.5496898730378079
Energy: 0.5546196155105482
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Energy: 0.5567423409989534
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Energy: 0.5562022472393315
Energy: 0.6876847500181522
Energy: 0.5315412373900853
Energy: 0.5338219480370794
Energy: 0.54116001363748
Energy: 0.5313961312817996
Energy: 0.5479966352507556
Energy: 0.6503149987485923
Energy: 0.5369898738437267
Energy: 0.5377245597047116
Energy: 0.540866684667211
Energy: 0.5928418945685262
Energy: 0.5558214796773844
Energy: 0.6315146119458858
Energy: 0.48824997420216154
Energy: 0.5490555163920676
Energy: 0.6319748461741059
Energy: 0.4879814320857306
Energy: 0.5378348295345914
Energy: 0.5413629212529282
Energy: 0.48751289980896373
Energy: 0.48717942742876774
Energy: 0.5399741212400618
Energy: 0.4876763619748668
Energy: 0.5146078667794235
Energy: 0.5412791468385348
Energy: 0.534581487353367
Energy: 0.5526354238520247
Energy: 0.541987556615918
Energy: 0.5330565636498411
Energy: 0.560165736533903
Energy: 0.5079966702371306
Energy: 0.6136431510093446
Energy: 0.5857821219286445
Energy: 0.5090020297420923
Energy: 0.6115679906148512
Energy: 0.5256972345946931
Energy: 0.5457897467440052
Energy: 0.5214715512720455
Energy: 0.5217855474638482
Energy: 0.5364830204111487
Energy: 0.5239446472656578
Energy: 0.5220567745296499
Energy: 0.711461927491624
Energy: 0.5374721089898407
Energy: 0.5575396373129672
Energy: 0.5540000076224989
Energy: 0.540030826698833
Energy: 0.553458719702364
Energy: 0.530150814936749
Energy: 0.6534924321584318
Energy: 0.5629286959340688
Energy: 0.529097842370046
Energy: 0.6377333572950135
Energy: 0.5693015077901176
Energy: 0.5296022067405035
Energy: 0.5257622204591096
Energy: 0.5521360410575362
Energy: 0.5283504188732274
Energy: 0.5484856610778035
Energy: 0.5475066014846665
Energy: 0.7305026188917556
Energy: 0.5479510497759885
Energy: 0.5443914515614432
Energy: 0.7483342496292241
Energy: 0.5413026600078504
Energy: 0.7420777519333707
Energy: 0.5236646002249566
Energy: 0.527836098231058
Energy: 0.528445919536305
Energy: 0.5068706177088936
Energy: 0.6179192699037191
Energy: 0.5620451822883608
Energy: 0.8234385573114136
Energy: 0.5613397239569166
Energy: 0.5150242906542888
Energy: 0.487705166894611
Energy: 0.5615790434569133
Energy: 0.5377361619374544

minimum gb energy = 0.48679627787646607 eV
minimum distance =  2.69928149959574 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.8308163558522922
Energy: 0.8199132406552186
Energy: 0.6731598020661993
Energy: 0.5792111680190879
Energy: 0.8849239973520182
Energy: 0.5852103271013344
Energy: 0.684781967050363
Energy: 0.5566886034056042
Energy: 0.6108833271992261
Energy: 0.6533717680892152
Energy: 0.5449080836962905
Energy: 0.5995962593654612
Energy: 0.670105207131698
Energy: 0.5063213221163383
Energy: 0.5173048756066404
Energy: 0.6682256710383908
Energy: 0.5038125423934845
Energy: 0.5329124253868619
Energy: 0.5324667473393048
Energy: 0.5060002822223407
Energy: 0.5225941337863346
Energy: 0.5237339454905768
Energy: 0.5044407029505205
Energy: 0.5225788950401314
Energy: 0.5235384168554446
Energy: 0.6346834728153757
Energy: 0.6179605462454935
Energy: 0.5234957814960364
Energy: 0.5578307351865274
Energy: 0.5823895525989703
Energy: 0.523428735368551
Energy: 0.5818902841386541
Energy: 0.5978088205376602
Energy: 0.5596294478498878
Energy: 0.5241141489261696
Energy: 0.6298816884358669
Energy: 0.5890999180271589
Energy: 0.5233784477976187
Energy: 0.5233025740567322
Energy: 0.5878753262219746
Energy: 0.5229220497617973
Energy: 0.5233780282870063
Energy: 0.7105651433319798
Energy: 0.5357909084195189
Energy: 0.5297916838125701
Energy: 0.688374349271957
Energy: 0.5268259104003011
Energy: 0.6277756730851174
Energy: 0.6317386333739622
Energy: 0.5357585198206385
Energy: 0.5221934815931402
Energy: 0.6332750857849871
Energy: 0.6623328566031249
Energy: 0.5238478337214673
Energy: 0.6047680513714089
Energy: 0.5853676938782628
Energy: 0.585587277600516
Energy: 0.6170164393320062
Energy: 0.5854021069929501
Energy: 0.5855309224744795
Energy: 0.6313537239261668
Energy: 0.5720523011347537
Energy: 0.5570667637915037
Energy: 0.6167003006869826
Energy: 0.6430417760077476
Energy: 0.6086183683463108
Energy: 0.5882745660228237
Energy: 0.5998482907255145
Energy: 0.533487127146005
Energy: 0.5676960384538382
Energy: 0.657347505879223
Energy: 0.5219109339043214
Energy: 0.7504325122321474
Energy: 0.5331422932699893
Energy: 0.5629739347721677
Energy: 0.6806336821019372
Energy: 0.5345148840046281
Energy: 0.5375596630980702
Energy: 0.5865031661110622
Energy: 0.5363764748099735
Energy: 0.5916163874066828
Energy: 0.605710761834385
Energy: 0.5571638292736362
Energy: 0.6097203790499376
Energy: 0.5824030965155386
Energy: 0.6619628840626676
Energy: 0.6410222142221805
Energy: 0.5268776432204273
Energy: 0.6279331220696981
Energy: 0.5088207884075266
Energy: 0.503820651570999
Energy: 0.5478570061873123
Energy: 0.503415286076673
Energy: 0.5040383738188918
Energy: 0.5481970295456204
Energy: 0.5038684631778012
Energy: 0.530096270197369
Energy: 0.5067489398289119
Energy: 0.5056595653775083
Energy: 0.5170820854350109
Energy: 0.6201978260583114
Energy: 0.5096782769023385
Energy: 0.6093813611597316
Energy: 0.5587710777176326
Energy: 0.5583631110798382
Energy: 0.6037255017921277
Energy: 0.576680376685672
Energy: 0.5029943395392472
Energy: 0.7381334007081147
Energy: 0.5375941829418774
Energy: 0.5360067128492463
Energy: 0.5960965400498969
Energy: 0.5385954220680674
Energy: 0.5314971208086122
Energy: 0.75597168087422
Energy: 0.6425186734951104
Energy: 0.5461628325148146
Energy: 0.5203193797925458
Energy: 0.6247485699436764
Energy: 0.5317667214563571
Energy: 0.6052021696832875
Energy: 0.5985654294064499
Energy: 0.559033190873135
Energy: 0.6105916194514452
Energy: 0.5868099632655958
Energy: 0.5863469367764191
Energy: 0.699742807019176
Energy: 0.5360247962211806
Energy: 0.5948220903647605
Energy: 0.6988754212075248
Energy: 0.6974698778669716
Energy: 0.5973429168284381
Energy: 0.5758822834826764
Energy: 0.5379417921105277
Energy: 0.5958843474383682
Energy: 0.5553442318437628
Energy: 0.5562874979762511
Energy: 0.5584526778433203
Energy: 0.6734866851713794
Energy: 0.63390898443777
Energy: 0.6244514989432461
Energy: 0.6489625964432665
Energy: 0.6345051150766533
Energy: 0.5031287303258762
Energy: 0.5922342686402524
Energy: 0.5032393582505786
Energy: 0.5032442706135517
Energy: 0.5759941819125043
Energy: 0.503021957366797
Energy: 0.5040429639507854
Energy: 0.5749872341446202
Energy: 0.5067534794105423
Energy: 0.5054804676522979
Energy: 0.59928822538305
Energy: 0.515324695153231
Energy: 0.5050726337168324
Energy: 0.5746353286139857
Energy: 0.638811229825474
Energy: 0.6208729218477854
Energy: 0.5809076858869769
Energy: 0.5753874100501084
Energy: 0.6166375582810466
Energy: 0.5558077514846026
Energy: 0.5941621218199775
Energy: 0.5228345468095664
Energy: 0.5332930738773519
Energy: 0.5674248895877926
Energy: 0.534201877636994
Energy: 0.7247331093087452
Energy: 0.5314494706976559
Energy: 0.5321410651083319
Energy: 0.7300738801361434
Energy: 0.6640394661093989
Energy: 0.6096215883850323
Energy: 0.673543048599836
Energy: 0.5611729879968888
Energy: 0.585627819573544
Energy: 0.6658411627556268
Energy: 0.5739744624912839
Energy: 0.535308649338479
Energy: 0.8331587963691001
Energy: 0.6972460988611291
Energy: 0.6921245403686339
Energy: 0.536844785186052
Energy: 0.6970628782562039
Energy: 0.6360221570287578

minimum gb energy = 0.5029943395392472 eV
minimum distance =  2.63491445037594 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.641387918630631
Energy: 0.7873896277354642
Energy: 0.6007077808584058
Energy: 0.6431556641572546
Energy: 0.7890208832978715
Energy: 0.6013772974032486
Energy: 0.7011080910591272
Energy: 0.5224003953744505
Energy: 0.5226407150728124
Energy: 0.6323522006293716
Energy: 0.5226377776327894
Energy: 0.516845605566734
Energy: 0.6472851183693494
Energy: 0.6276252998312924
Energy: 0.5826335230976251
Energy: 0.6482065103984432
Energy: 0.6343460295548478
Energy: 0.5726025708473156
Energy: 0.523049356359218
Energy: 0.6215496188361546
Energy: 0.6088388148420524
Energy: 0.5157079299882494
Energy: 0.6246936590475349
Energy: 0.51525014042063
Energy: 0.5160401825672324
Energy: 0.4975901331439051
Energy: 0.6125046956092168
Energy: 0.5147624089852806
Energy: 0.4976072113502166
Energy: 0.4978918280865944
Energy: 0.4704642564488703
Energy: 0.5804163432098184
Energy: 0.6254396317529781
Energy: 0.49765494612050104
Energy: 0.5159409821908031
Energy: 0.6050778011367239
Energy: 0.6726497033432982
Energy: 0.5157757736201855
Energy: 0.5151798040927349
Energy: 0.5655055082703526
Energy: 0.5163812955933322
Energy: 0.5153934823673738
Energy: 0.6127129812611475
Energy: 0.584648236087982
Energy: 0.5848999379351145
Energy: 0.5587161435234975
Energy: 0.6035623767048103
Energy: 0.5160565901473393
Energy: 0.5227541230366254
Energy: 0.5157427112477073
Energy: 0.5153214374447942
Energy: 0.5233325078144263
Energy: 0.596455113655647
Energy: 0.516501178926799
Energy: 0.7370841683566668
Energy: 0.5139246461741104
Energy: 0.5138678327043702
Energy: 0.5784996899265351
Energy: 0.5136247199271909
Energy: 0.5139238168937209
Energy: 0.5946579473514358
Energy: 0.6085935848801752
Energy: 0.5978227178174532
Energy: 0.59465361026725
Energy: 0.5844437827454616
Energy: 0.599213431954838
Energy: 0.7016553769608581
Energy: 0.5947453266060101
Energy: 0.5151429497990938
Energy: 0.6908938820503062
Energy: 0.5942239160600628
Energy: 0.5586111057068569
Energy: 0.720479906901977
Energy: 0.515320268182922
Energy: 0.5583755384600161
Energy: 0.5582724482617728
Energy: 0.5217291014494992
Energy: 0.5600240517552689
Energy: 0.5963104170217253
Energy: 0.522834164219733
Energy: 0.5151262878335762
Energy: 0.5959744489034312
Energy: 0.5232662476592767
Energy: 0.5157547684061566
Energy: 0.5687633210280576
Energy: 0.6214991321959518
Energy: 0.6365357863164366
Energy: 0.5320307144644801
Energy: 0.6470545561380443
Energy: 0.5265373005932312
Energy: 0.5156113453230531
Energy: 0.4980549649794528
Energy: 0.49859010217289823
Energy: 0.5152442470041847
Energy: 0.523214469316432
Energy: 0.5149003938694034
Energy: 0.5156882233223719
Energy: 0.6145710160127897
Energy: 0.6268731126725675
Energy: 0.5155745957820503
Energy: 0.6332014077323508
Energy: 0.6093570400013482
Energy: 0.5157033353468303
Energy: 0.5155284449885782
Energy: 0.5725879594206413
Energy: 0.5613716758869403
Energy: 0.5153452614512652
Energy: 0.6160435283668976
Energy: 0.6492301320014541
Energy: 0.5160709262507583
Energy: 0.5155189524071496
Energy: 0.6658272817824643
Energy: 0.5227117563345894
Energy: 0.5153227686311965
Energy: 0.6437146611032417
Energy: 0.581553130501244
Energy: 0.5159514903912106
Energy: 0.5233547626136591
Energy: 0.663477648904786
Energy: 0.5165236698294808
Energy: 0.5222445038846559
Energy: 0.5229472238963823
Energy: 0.5223614697131207
Energy: 0.5221317200161734
Energy: 0.5229201285770451
Energy: 0.5154081452906311
Energy: 0.6013661942727457
Energy: 0.6244522806166504
Energy: 0.6306977956695489
Energy: 0.7984822200954735
Energy: 0.6176569278496739
Energy: 0.5679641325235387
Energy: 0.5953738828739801
Energy: 0.5223363838220909
Energy: 0.5150757337444606
Energy: 0.5962166486770193
Energy: 0.5227833239715644
Energy: 0.6002646499619603
Energy: 0.7861621499009158
Energy: 0.581046182026561
Energy: 0.6246114337848755
Energy: 0.5583001940612793
Energy: 0.5948150798170806
Energy: 0.5579210287946508

minimum gb energy = 0.4704642564488703 eV
minimum distance =  2.6513486365524 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.7045681099538705
Energy: 0.6784883969414345
Energy: 0.6188779609344603
Energy: 0.5293944615950288
Energy: 0.6774480767773813
Energy: 0.5298850142422433
Energy: 0.6590465301604073
Energy: 0.5328711078564888
Energy: 0.5322977963461439
Energy: 0.6075251070834777
Energy: 0.5714868028303796
Energy: 0.6198221626599858
Energy: 0.6388595000321864
Energy: 0.4852448044964179
Energy: 0.4846274420961138
Energy: 0.6386991041885197
Energy: 0.4851190136743564
Energy: 0.48464886892201786
Energy: 0.5320202137377482
Energy: 0.48486778644186757
Energy: 0.4846187185536205
Energy: 0.5319756748233275
Energy: 0.4845636952979538
Energy: 0.5320032045936486
Energy: 0.532461108935417
Energy: 0.5406139860036603
Energy: 0.5431633807653381
Energy: 0.5324641038044479
Energy: 0.5409724534559794
Energy: 0.6046032816023089
Energy: 0.6258519573383629
Energy: 0.4709624287242076
Energy: 0.470721903605906
Energy: 0.45729556755393097
Energy: 0.47080161544892934
Energy: 0.5815258257948389
Energy: 0.48633016011030755
Energy: 0.4709734633571727
Energy: 0.4708860816126097
Energy: 0.4864474673972376
Energy: 0.4717602794530418
Energy: 0.5396606916107559
Energy: 0.6136526027460527
Energy: 0.5993779486429731
Energy: 0.5935434390568296
Energy: 0.5899002283924275
Energy: 0.6030070663352284
Energy: 0.5787781877067116
Energy: 0.47240506699821516
Energy: 0.6039286110155563
Energy: 0.5370885770679023
Energy: 0.47188926396302056
Energy: 0.47124248591693313
Energy: 0.47095920667894586
Energy: 0.47142324615159553
Energy: 0.5448385927949692
Energy: 0.5272680969166033
Energy: 0.4714989729581025
Energy: 0.4715615597639012
Energy: 0.5273495715993414
Energy: 0.6070898022957858
Energy: 0.5810918950416842
Energy: 0.5386369113413667
Energy: 0.6015737464512821
Energy: 0.5330045252096989
Energy: 0.6019712342402421
Energy: 0.5687710542935526
Energy: 0.5323485943979223
Energy: 0.53417918456726
Energy: 0.5692348462796673
Energy: 0.5330169072453225
Energy: 0.5323949795785453
Energy: 0.6457898864355255
Energy: 0.5755945707038091
Energy: 0.5330216461268301
Energy: 0.5146722439377898
Energy: 0.6394082453948571
Energy: 0.5336813831167392
Energy: 0.5979930652421721
Energy: 0.532637839477418
Energy: 0.532698377348293
Energy: 0.5730149217101063
Energy: 0.5324761278961155
Energy: 0.5323981772713129
Energy: 0.7041976081824923
Energy: 0.5354780945535447
Energy: 0.5361139831290185
Energy: 0.6766093995142408
Energy: 0.5360897951079582
Energy: 0.5749552875098665
Energy: 0.6452997296497442
Energy: 0.580133547972948
Energy: 0.532338637013941
Energy: 0.6422584985993177
Energy: 0.6074081216221354
Energy: 0.6061577645374832
Energy: 0.6323266466400475
Energy: 0.6598204339532217
Energy: 0.5838035459434101
Energy: 0.6536338020096053
Energy: 0.6385261494768792
Energy: 0.5804492654276543

minimum gb energy = 0.45729556755393097 eV
minimum distance =  2.61281685126118 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7272456885736865
Energy: 0.7297466170338734
Energy: 0.5217399097198642
Energy: 0.5215769575212983
Energy: 0.7294496825897727
Energy: 0.5216834486528463
Energy: 0.625177161020172
Energy: 0.5321873077166854
Energy: 0.532376438000108
Energy: 0.5769022970513134
Energy: 0.5669667055555032
Energy: 0.5323026805698607
Energy: 0.6126045273737583
Energy: 0.445762624930539
Energy: 0.4981139854554673
Energy: 0.6135511717561921
Energy: 0.4459482146865091
Energy: 0.4973842652172591
Energy: 0.5377821486026937
Energy: 0.49678498114456515
Energy: 0.49783864149615364
Energy: 0.5359718835517424
Energy: 0.553197176127809
Energy: 0.4973535360213784
Energy: 0.5332103077378764
Energy: 0.5338056921231533
Energy: 0.5369203672136212
Energy: 0.5298408944994807
Energy: 0.564091168204009
Energy: 0.5898861804318177
Energy: 0.6521883795598841
Energy: 0.4730644887170067
Energy: 0.4466353293786841
Energy: 0.4453694026496484
Energy: 0.47286792862380034
Energy: 0.4454839374527555
Energy: 0.607133665972132
Energy: 0.4685157062913457
Energy: 0.46863459413928477
Energy: 0.590137033729855
Energy: 0.468321557995613
Energy: 0.5244350342576146
Energy: 0.5728761626131581
Energy: 0.5503052633584155
Energy: 0.4396740955766698
Energy: 0.5650609127042605
Energy: 0.5436775947596044
Energy: 0.5537804628352867
Energy: 0.43935147073389785
Energy: 0.5551777634949855
Energy: 0.44137282475055895
Energy: 0.43964264472898185
Energy: 0.5469766439139052
Energy: 0.4400534245772253
Energy: 0.4399046437891503
Energy: 0.5581931287176007
Energy: 0.5476048405942647
Energy: 0.4397714830683667
Energy: 0.55499625449261
Energy: 0.5458098329173707
Energy: 0.5907129845790328
Energy: 0.44018164895846273
Energy: 0.5419123312892877
Energy: 0.5576403246825331
Energy: 0.43978266506696734
Energy: 0.54483014065827
Energy: 0.49617221980245707
Energy: 0.4402949813328642
Energy: 0.44018343513171526
Energy: 0.4955915613618758
Energy: 0.44022367693148123
Energy: 0.44001549467185425
Energy: 0.5024538076177751
Energy: 0.5655111859922687
Energy: 0.49446629584845725
Energy: 0.5732472953653925
Energy: 0.5584967869191544
Energy: 0.49377436276163617
Energy: 0.46872831045418384
Energy: 0.5743956561364538
Energy: 0.564529138260157
Energy: 0.4678871555221669
Energy: 0.6054583525044261
Energy: 0.46820355427172217
Energy: 0.46868082097200975
Energy: 0.5619187863445755
Energy: 0.5900340038957482
Energy: 0.4723750144309733
Energy: 0.4975334346341853
Energy: 0.4723371323769315
Energy: 0.5860788749525391
Energy: 0.5299966254626383
Energy: 0.5901105641205373
Energy: 0.5831479151325787
Energy: 0.5310109713697487
Energy: 0.5395778092461943
Energy: 0.5736314656307964
Energy: 0.5326488710964755
Energy: 0.5326893378579558
Energy: 0.589625505178659
Energy: 0.5324957974062244
Energy: 0.4720213474880453
Energy: 0.5901015176815224
Energy: 0.5629330745044119
Energy: 0.5368968089282047
Energy: 0.5312219759881831
Energy: 0.61185304871429
Energy: 0.47196011211131383
Energy: 0.5793605378323013
Energy: 0.5305234447344251
Energy: 0.528873705813276
Energy: 0.5799553632051343
Energy: 0.5627980171304888
Energy: 0.5764341278873291
Energy: 0.6748725856502543
Energy: 0.548540882104477
Energy: 0.5600616053831357
Energy: 0.6748597848549559
Energy: 0.473507266546737
Energy: 0.613716663413347
Energy: 0.6201351022014897
Energy: 0.5304990542288034
Energy: 0.5298552650790256
Energy: 0.5996952232274111
Energy: 0.5728439704722996
Energy: 0.5300168452330077
Energy: 0.731899306730583
Energy: 0.5736514942428056
Energy: 0.6163486449572123
Energy: 0.49693427113091143
Energy: 0.615380213657115
Energy: 0.49797344593155224
Energy: 0.6221536963215356
Energy: 0.5337404564651054
Energy: 0.6053923013771633
Energy: 0.5707967532879501
Energy: 0.6011596788519395
Energy: 0.5736369589305588
Energy: 0.6096342759423421
Energy: 0.6781376937629849
Energy: 0.5318927159802114
Energy: 0.6108662191372838
Energy: 0.570128971782573
Energy: 0.5307308183905972
Energy: 0.5371388657580483
Energy: 0.4471961133065495
Energy: 0.4989879643348397
Energy: 0.5322622895671086
Energy: 0.5671469140483981
Energy: 0.499030506046035
Energy: 0.5334513690579756
Energy: 0.5390346928308062
Energy: 0.5449624252489286
Energy: 0.5301685029447349
Energy: 0.544096679103429
Energy: 0.5299089355856165
Energy: 0.6542333384174228
Energy: 0.5890983983067007
Energy: 0.4721223778113618
Energy: 0.4454642125676447
Energy: 0.5768804981333023
Energy: 0.44562832584502576
Energy: 0.6018689315367755
Energy: 0.4683859139826088
Energy: 0.46860600736697383
Energy: 0.5423948969988888
Energy: 0.4680621209298457
Energy: 0.46863765511399597
Energy: 0.5727150448214302
Energy: 0.5661951184662327
Energy: 0.561412272780163
Energy: 0.5625644670536086
Energy: 0.46812629542747175
Energy: 0.5609286160841238
Energy: 0.43996076816912655
Energy: 0.5494263647969685
Energy: 0.5554565575829287
Energy: 0.43986049812527633
Energy: 0.5433253274835903
Energy: 0.43979307644969906
Energy: 0.4399166402694006
Energy: 0.5449878169401374
Energy: 0.5417405230737389
Energy: 0.440085348215924
Energy: 0.5542866091701115
Energy: 0.49482833680140276
Energy: 0.5874818186408688
Energy: 0.5491974764692124
Energy: 0.5405983667027985
Energy: 0.5544519051272536
Energy: 0.5522522555380751
Energy: 0.5690312491055085
Energy: 0.5903799598810424
Energy: 0.4401051138833204
Energy: 0.44043572534809877
Energy: 0.5660947195545211
Energy: 0.4394180320132815
Energy: 0.4402417277352586
Energy: 0.628882428338785
Energy: 0.491475955499941
Energy: 0.4941920732889139
Energy: 0.5705288838665407
Energy: 0.4400744190764792
Energy: 0.43948240573563013
Energy: 0.4675590073770898
Energy: 0.5556060967042513
Energy: 0.5546283031635907
Energy: 0.4686022794063304
Energy: 0.5663562924165823
Energy: 0.5581678514328104
Energy: 0.47341016708818656
Energy: 0.5648564279539784
Energy: 0.47229089592887585
Energy: 0.4676303916633185
Energy: 0.5591986432355981
Energy: 0.46760288248261633
Energy: 0.5850201363384614
Energy: 0.6001723753128722
Energy: 0.543471702774356
Energy: 0.5798299614968886
Energy: 0.5299627201003564
Energy: 0.5720805137709251
Energy: 0.5796509207817958
Energy: 0.5322172183083218
Energy: 0.532405276276486
Energy: 0.5720077058394772
Energy: 0.5303249506329379
Energy: 0.5324743661802119
Energy: 0.6917790965159674
Energy: 0.6294759045731069
Energy: 0.47169380692961854
Energy: 0.47188060030805457
Energy: 0.6138653905840796
Energy: 0.4715775049793555
Energy: 0.5826125322485738
Energy: 0.532587754482117
Energy: 0.5295154446240598
Energy: 0.5680107111577923
Energy: 0.5663658470733782
Energy: 0.5140157421795745
Energy: 0.592158618609106
Energy: 0.47263819917080757
Energy: 0.5362389011381951
Energy: 0.5843178436194008
Energy: 0.6052581602921738
Energy: 0.5356744176281724
Energy: 0.6128579171267822
Energy: 0.5341708410923528
Energy: 0.5353972567381593
Energy: 0.6109601899673642
Energy: 0.6122405018803152
Energy: 0.5303843281240884
Energy: 0.5699065250730986
Energy: 0.6297064240781846
Energy: 0.5322420093628126
Energy: 0.5842261667912557
Energy: 0.6249549587503501
Energy: 0.573584852125804

minimum gb energy = 0.43935147073389785 eV
minimum distance =  2.59933467897905 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.6662078488265208
Energy: 0.6971666865414355
Energy: 0.5143234970098931
Energy: 0.5789913808403346
Energy: 0.6906737283705914
Energy: 0.5121318657039239
Energy: 0.6244037726359013
Energy: 0.5188114427511186
Energy: 0.518741491071133
Energy: 0.5479067386054857
Energy: 0.5500595109590549
Energy: 0.5193130030951448
Energy: 0.587042573999519
Energy: 0.4559385157955209
Energy: 0.4508688209283834
Energy: 0.587908679843256
Energy: 0.5333520674319259
Energy: 0.4856849204559872
Energy: 0.5235942145444734
Energy: 0.5536282561056813
Energy: 0.4892384387618701
Energy: 0.5243141657016008
Energy: 0.5674926986171143
Energy: 0.4882009772036951
Energy: 0.5518397738238262
Energy: 0.5226227414797129
Energy: 0.5235997859416948
Energy: 0.5284066627483179
Energy: 0.5227885483297746
Energy: 0.5329106963672082
Energy: 0.611963483617452
Energy: 0.4651010751702346
Energy: 0.4412652931576307
Energy: 0.5348805127222924
Energy: 0.46500876606987174
Energy: 0.44145393085167833
Energy: 0.5759843737972306
Energy: 0.46231598007935715
Energy: 0.4624031824836299
Energy: 0.5672770962711113
Energy: 0.4659038098186611
Energy: 0.5095829647515077
Energy: 0.5422950451019839
Energy: 0.5254547699008705
Energy: 0.5230875819938211
Energy: 0.5414099218991201
Energy: 0.5333612064117479
Energy: 0.42915863374494306
Energy: 0.43119752192907534
Energy: 0.48740434378595887
Energy: 0.42929110295043427
Energy: 0.4318084510312097
Energy: 0.5560518659728515
Energy: 0.4288591928194443
Energy: 0.42903302935109017
Energy: 0.5245234091888603
Energy: 0.5184898099235803
Energy: 0.42892352162005126
Energy: 0.5240530256355374
Energy: 0.5219427518120613
Energy: 0.5776289250815835
Energy: 0.4121705254578672
Energy: 0.5141814647246484
Energy: 0.5136334671636651
Energy: 0.4122131281787848
Energy: 0.5165898632637274
Energy: 0.5516450052112252
Energy: 0.41230916296731684
Energy: 0.41228026190016803
Energy: 0.550431501333732
Energy: 0.4122054663680341
Energy: 0.5073008619780952
Energy: 0.5562586458129931
Energy: 0.5236386202731207
Energy: 0.5213164890716471
Energy: 0.5171404454556219
Energy: 0.5206577608011844
Energy: 0.5356226539491853
Energy: 0.4127742808552286
Energy: 0.5253398144603939
Energy: 0.48690726977419685
Energy: 0.414095711566366
Energy: 0.549239018570064
Energy: 0.41243076531744843
Energy: 0.4126594165497358
Energy: 0.5259418640855097
Energy: 0.5134653717125999
Energy: 0.4124913819332
Energy: 0.5141241709065709
Energy: 0.5212186488688249
Energy: 0.5525789711772547
Energy: 0.4287806937628768
Energy: 0.5169079368950754
Energy: 0.5298072835643796
Energy: 0.4287683583521719
Energy: 0.5174327414386399
Energy: 0.5796321477072699
Energy: 0.4291714803830268
Energy: 0.4293710525215833
Energy: 0.5419764432459178
Energy: 0.42903429848282837
Energy: 0.49581376889523543
Energy: 0.5766214195280477
Energy: 0.5466541984365044
Energy: 0.43110343585980015
Energy: 0.5337822677576765
Energy: 0.5358728992165973
Energy: 0.5236878651335234
Energy: 0.46271565039962087
Energy: 0.5629403277993118
Energy: 0.46518376422054
Energy: 0.4642850175228359
Energy: 0.576338823177453
Energy: 0.465239732482228
Energy: 0.56988839819574
Energy: 0.5467689719813853
Energy: 0.5424869063138493
Energy: 0.5698873496349897
Energy: 0.556658648723027
Energy: 0.5784547707542359
Energy: 0.564877798243962
Energy: 0.5187659419324393
Energy: 0.5523847687349833
Energy: 0.5461182402848097
Energy: 0.5191211841304443
Energy: 0.531003774131509
Energy: 0.6255358848731433
Energy: 0.5218036951382999
Energy: 0.49717905255707234
Energy: 0.5523318300820581
Energy: 0.521582630026498
Energy: 0.4655210189944519
Energy: 0.5270310924999102
Energy: 0.5502354596625426
Energy: 0.521571007951712
Energy: 0.5688624382330137
Energy: 0.5894492674610993
Energy: 0.5220373295871044
Energy: 0.5592747187116434
Energy: 0.5369946236996722
Energy: 0.5595987452711817
Energy: 0.5573247914951369
Energy: 0.5737609391307991
Energy: 0.521536083947579
Energy: 0.5920132898091922
Energy: 0.47486809553029347
Energy: 0.4711287754349156
Energy: 0.5850580986747409
Energy: 0.5845491539875856
Energy: 0.5215663735658812
Energy: 0.6162923353287441
Energy: 0.5189315299003344
Energy: 0.5187140940456165
Energy: 0.5798535504432577
Energy: 0.5851554272221954
Energy: 0.5190683511677268
Energy: 0.6637670413300965
Energy: 0.5620524670725389
Energy: 0.5099102637306202
Energy: 0.5501974772682495
Energy: 0.5949583912481242
Energy: 0.4887021287763614

minimum gb energy = 0.4121705254578672 eV
minimum distance =  2.59921617942576 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.614846026186368
Energy: 0.5423396134024825
Energy: 0.4820414071928204
Energy: 0.5875553464835019
Energy: 0.5423293428844335
Energy: 0.452767913817332
Energy: 0.5485176014325954
Energy: 0.4738960495815101
Energy: 0.4753223173527876
Energy: 0.4740711573679987
Energy: 0.497046313705198
Energy: 0.4751868682571523
Energy: 0.5241392682478114
Energy: 0.4762476733215105
Energy: 0.4909603989921694
Energy: 0.5258803259805249
Energy: 0.47733269931134426
Energy: 0.41350237516396204
Energy: 0.47714998003800063
Energy: 0.4193539936274349
Energy: 0.4201752697898305
Energy: 0.4752036043088054
Energy: 0.5176938357699145
Energy: 0.450800112255218
Energy: 0.498238919536071
Energy: 0.4323816189386713
Energy: 0.43239943731068275
Energy: 0.48280289720873465
Energy: 0.47209913256272695
Energy: 0.43574588911408224
Energy: 0.5733149365627359
Energy: 0.4366442409968987
Energy: 0.41927943483810814
Energy: 0.46638015715683073
Energy: 0.4355871144463299
Energy: 0.39694734540491655
Energy: 0.5147710321773702
Energy: 0.43060064159652245
Energy: 0.4307621336289016
Energy: 0.5052479686707613
Energy: 0.43073484522045224
Energy: 0.4312155267626415
Energy: 0.4867452556330536
Energy: 0.4609749098573437
Energy: 0.4623800831934438
Energy: 0.4907809914524679
Energy: 0.45561761474959384
Energy: 0.3882681303515489
Energy: 0.40153421507785797
Energy: 0.46376083946416685
Energy: 0.4008326442965834
Energy: 0.4042375150092879
Energy: 0.49371259455438504
Energy: 0.4043265007943529
Energy: 0.4153274172917559
Energy: 0.46454681124904706
Energy: 0.47495550101387174
Energy: 0.4007280231680631
Energy: 0.4562768460519397
Energy: 0.4769045807933825
Energy: 0.5439241142547022
Energy: 0.37876250540341355
Energy: 0.37876840947890905
Energy: 0.45578185279796724
Energy: 0.3785654885916282
Energy: 0.4528403837848008
Energy: 0.4839899502819239
Energy: 0.37839867640814334
Energy: 0.37845729249827226
Energy: 0.48447149598348543
Energy: 0.3783352295658923
Energy: 0.46113533713945004
Energy: 0.4824658981783087
Energy: 0.4494599120221954
Energy: 0.46046359476055454
Energy: 0.4782753536352847
Energy: 0.4626257667571854
Energy: 0.46180038870627416
Energy: 0.36507300673931853
Energy: 0.49344754826653364
Energy: 0.3644598562122231
Energy: 0.36638328402514353
Energy: 0.47953390560762404
Energy: 0.3644840605488831
Energy: 0.3650255467678243
Energy: 0.46040453825664446
Energy: 0.45599325728940376
Energy: 0.3649118082433148
Energy: 0.45176754684642645
Energy: 0.4639280638845873
Energy: 0.49650743834793004
Energy: 0.35776290409515005
Energy: 0.3577884409051374
Energy: 0.4549487654204992
Energy: 0.35785812296547237
Energy: 0.4493063913328697
Energy: 0.47937565472417104
Energy: 0.35799737449533486
Energy: 0.3581339593669071
Energy: 0.4485161096089653
Energy: 0.3581031801412049
Energy: 0.44658135294533813
Energy: 0.47730192756849604
Energy: 0.454521556654478
Energy: 0.4606380386747157
Energy: 0.47825325938273977
Energy: 0.4483622221503727
Energy: 0.4648256948030752
Energy: 0.35774184159599937
Energy: 0.49154651604589167
Energy: 0.3579836503526542
Energy: 0.3591314502159489
Energy: 0.47615890971708497
Energy: 0.3580123414922524
Energy: 0.47140251689831086
Energy: 0.4489126344813571
Energy: 0.4642842020967119
Energy: 0.47251093587886245
Energy: 0.4491494129596061
Energy: 0.46729106308262675
Energy: 0.4865722695166727
Energy: 0.3647442930944457
Energy: 0.3648569259721456
Energy: 0.46915740685134827
Energy: 0.36460336730304915
Energy: 0.4506144056809557
Energy: 0.44845418192156145
Energy: 0.36471392827059407
Energy: 0.364961263018147
Energy: 0.452749143591714
Energy: 0.3643661797729424
Energy: 0.45368094936353026
Energy: 0.3792292747706833
Energy: 0.47074395781995143
Energy: 0.45585907038758244
Energy: 0.37823258120093883
Energy: 0.4632575905902264
Energy: 0.46521248000410576
Energy: 0.37906166515868484
Energy: 0.4853632701372446
Energy: 0.3786656471365416
Energy: 0.3789250098807655
Energy: 0.4922642191997755
Energy: 0.37847537020402955
Energy: 0.4793238377385579
Energy: 0.4610444494368701
Energy: 0.37842310080170055
Energy: 0.47828019416788153
Energy: 0.4583058882206013
Energy: 0.41941646539124744
Energy: 0.4938197500813951
Energy: 0.4003895228676804
Energy: 0.400303882354391
Energy: 0.48521555237321695
Energy: 0.4004566919189966
Energy: 0.4763457720701832
Energy: 0.551184910369917
Energy: 0.40073565064331057
Energy: 0.4010265897839377
Energy: 0.45783926526806307
Energy: 0.4036259541389269
Energy: 0.378618497102578
Energy: 0.4303028131942124
Energy: 0.40031021310167203
Energy: 0.48342742032495406
Energy: 0.43258913413066064
Energy: 0.48882310199887774
Energy: 0.4924371174000665
Energy: 0.4331757488728519
Energy: 0.403781028360057
Energy: 0.43549636863850444
Energy: 0.4342047793221353
Energy: 0.4997116055366239
Energy: 0.4325850031982212
Energy: 0.5024741110381177
Energy: 0.4662130084453258
Energy: 0.4841756205201083
Energy: 0.5060474843179067
Energy: 0.47134576346449536
Energy: 0.4035531842917303
Energy: 0.5224041322701043
Energy: 0.4737039659808307
Energy: 0.4735931223260778
Energy: 0.45872071427674294
Energy: 0.4737142731639934
Energy: 0.5449408597474902
Energy: 0.5923222271357864
Energy: 0.4772096653870846
Energy: 0.4582623961821445
Energy: 0.47204414002545103
Energy: 0.4759236167381802
Energy: 0.4075247313512061
Energy: 0.49305844995757003
Energy: 0.4744357976150528
Energy: 0.4757433749647191
Energy: 0.5042843659260471
Energy: 0.5083100753358415
Energy: 0.4749263552263245
Energy: 0.5048659785768331
Energy: 0.43627675743657773
Energy: 0.4358910937515487
Energy: 0.5062862850412762
Energy: 0.5124409241766549
Energy: 0.47582705266575526
Energy: 0.5232301312195557
Energy: 0.4949941821030726
Energy: 0.4361793282277245
Energy: 0.5228744765376185
Energy: 0.48508589192577767
Energy: 0.43559171687358833
Energy: 0.5611339212207893
Energy: 0.4751745075850751
Energy: 0.4747363538331778
Energy: 0.49256435928234277
Energy: 0.5219389621125923
Energy: 0.47525990818923536

minimum gb energy = 0.35774184159599937 eV
minimum distance =  2.58418433621929 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.08354176259016333
Energy: 0.13722311756375535
Energy: 0.08389097120130815
Energy: 0.08360683772818751
Energy: 0.13726478267852596
Energy: 0.0838929711246636
Energy: 0.1376742784420319
Energy: 0.08499382100753529
Energy: 0.08475789115686388
Energy: 0.13806802360678405
Energy: 0.08671827006805964
Energy: 0.08466554748427911
Energy: 0.13742005371401553
Energy: 0.08380207893193284
Energy: 0.08368190991248443
Energy: 0.13709654294545429
Energy: 0.08378654166682056
Energy: 0.13872314921364218
Energy: 0.0858215190449712
Energy: 0.08396413844700136
Energy: 0.08388812164893622
Energy: 0.08518585296849981
Energy: 0.08389684258223251
Energy: 0.13934420126986394
Energy: 0.13859394082069582
Energy: 0.13737952783989918
Energy: 0.13784612135269195
Energy: 0.13801532508987796
Energy: 0.13705801332366369
Energy: 0.13896955836458577
Energy: 0.08445133108093517
Energy: 0.08495071777750322
Energy: 0.08379831915493348
Energy: 0.08356389100381088
Energy: 0.08464181617335188
Energy: 0.08401409434133189
Energy: 0.13830331091221784
Energy: 0.08506222082225717
Energy: 0.08424044913898983
Energy: 0.13761449035254997
Energy: 0.0874755722000533
Energy: 0.08422423401731563
Energy: 0.13763479580673682
Energy: 0.083785491979727
Energy: 0.08353325870606815
Energy: 0.13760426263571077
Energy: 0.08373177830883291
Energy: 0.13859246894090224
Energy: 0.08453135733178474
Energy: 0.0835543710516031
Energy: 0.13856497055403436
Energy: 0.08501868345936658
Energy: 0.08363439933721789
Energy: 0.13817634072327303
Energy: 0.0837397230228394
Energy: 0.13718650241481034
Energy: 0.13747263343378197
Energy: 0.08370755839134077
Energy: 0.13718722747405773
Energy: 0.13759135499436334

minimum gb energy = 0.08353325870606815 eV
minimum distance =  2.85059205804154 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6200155539459881
Energy: 0.6900902491172943
Energy: 0.5446165433426959
Energy: 0.6331932433721629
Energy: 0.5629980278682594
Energy: 0.5254006375056474
Energy: 0.5456461475049839
Energy: 0.5154397148428829
Energy: 0.5259567547263936
Energy: 0.5272750887968375
Energy: 0.5280021021091335
Energy: 0.5274762578533239
Energy: 0.5377795493975078
Energy: 0.5125850067392246
Energy: 0.5091031356129414
Energy: 0.534184734429536
Energy: 0.5160023849183523
Energy: 0.5378330393683796
Energy: 0.4797080925619118
Energy: 0.5056885379409372
Energy: 0.5066360512322263
Energy: 0.48069226017007216
Energy: 0.5317783702019202
Energy: 0.5464986871127856
Energy: 0.49959900355384734
Energy: 0.5178980031118293
Energy: 0.5442727482776668
Energy: 0.5040344634417167
Energy: 0.529417432699522
Energy: 0.5399993473225742
Energy: 0.5119010498460629
Energy: 0.505655776118112
Energy: 0.4978476188851136
Energy: 0.4883028770402083
Energy: 0.5502572603630052
Energy: 0.4922759310947973
Energy: 0.4868201920491099
Energy: 0.4790989025753088
Energy: 0.49843891705617904
Energy: 0.4778926499302899
Energy: 0.4690862477459132
Energy: 0.5671160166897931
Energy: 0.48202334472573527
Energy: 0.4781232285013897
Energy: 0.47715698323217726
Energy: 0.4844139056469477
Energy: 0.4689774852954126
Energy: 0.45837056147772876
Energy: 0.4993843277748218
Energy: 0.4781272483160005
Energy: 0.5035547472609949
Energy: 0.4876586838113808
Energy: 0.4762353162224069
Energy: 0.4971126600599626
Energy: 0.478460911046183
Energy: 0.4358849042243481
Energy: 0.4356808598496693
Energy: 0.47586942213456196
Energy: 0.4356440165599784
Energy: 0.45219562565533783
Energy: 0.493157072884823
Energy: 0.4855278785476135
Energy: 0.48614185112177144
Energy: 0.4647796292694413
Energy: 0.4818516431792821
Energy: 0.46465650734300595
Energy: 0.40498529633672886
Energy: 0.4827903903697312
Energy: 0.4883107482449881
Energy: 0.40508025494053274
Energy: 0.45703537991829307
Energy: 0.40640743555237446
Energy: 0.40791081077848157
Energy: 0.4535317625166347
Energy: 0.4609043994278744
Energy: 0.4077981328441854
Energy: 0.45740469044815757
Energy: 0.40770869706168894
Energy: 0.4510166594785546
Energy: 0.4685706776971266
Energy: 0.46158897857900305
Energy: 0.45737217451935014
Energy: 0.46600208237080315
Energy: 0.46281690593016006
Energy: 0.4499265676402567
Energy: 0.38588085915127984
Energy: 0.38581863249197446
Energy: 0.4480418082126266
Energy: 0.3859120442433854
Energy: 0.3858631640941722
Energy: 0.4685591484871301
Energy: 0.4514659380376873
Energy: 0.4556556185383854
Energy: 0.468823347712263
Energy: 0.45552848704555104
Energy: 0.4537685114503366
Energy: 0.37663253266002156
Energy: 0.45634972925794837
Energy: 0.46842681623707205
Energy: 0.3766991311258532
Energy: 0.4457077243653896
Energy: 0.3770175160799266
Energy: 0.37703517311070656
Energy: 0.44804633752454975
Energy: 0.4486405435233793
Energy: 0.3769681755693878
Energy: 0.44827820424399273
Energy: 0.4674749140139753
Energy: 0.4640363189382032
Energy: 0.4552537588369481
Energy: 0.4626276265783057
Energy: 0.4476216556586892
Energy: 0.4523330858720889
Energy: 0.4482431214040862
Energy: 0.4445577236383898
Energy: 0.3765157160170663
Energy: 0.37661319068672244
Energy: 0.43820789327211457
Energy: 0.3766244750578387
Energy: 0.3770195329622293
Energy: 0.4521481581226578
Energy: 0.4521687179232261
Energy: 0.45098690852036255
Energy: 0.45606165856596104
Energy: 0.4686009987515335
Energy: 0.4514934821773945
Energy: 0.39174057986359156
Energy: 0.4524168178925679
Energy: 0.42712001077572437
Energy: 0.3881584232384995
Energy: 0.4624334981893122
Energy: 0.3882073310372145
Energy: 0.38567550210317086
Energy: 0.4741314248359565
Energy: 0.4722727179199028
Energy: 0.3857045775835059
Energy: 0.48344138948305976
Energy: 0.4789418501921703
Energy: 0.47085874462463645
Energy: 0.4076467911064386
Energy: 0.4077965025062711
Energy: 0.4589191710779762
Energy: 0.40801028376328646
Energy: 0.4629570119752694
Energy: 0.4534090787978911
Energy: 0.40530768861981237
Energy: 0.4051026818544727
Energy: 0.4540087312881295
Energy: 0.40522053610892045
Energy: 0.40501104849908987
Energy: 0.4766151586001173
Energy: 0.47185222013895023
Energy: 0.4724517216233932
Energy: 0.47598518087299524
Energy: 0.4773727939745825
Energy: 0.48896852660614537
Energy: 0.43602063461022195
Energy: 0.47282393605269724
Energy: 0.4702349983461312
Energy: 0.436594709218844
Energy: 0.48929170413680134
Energy: 0.43598158240122775
Energy: 0.4832833078192583
Energy: 0.5044824484492679
Energy: 0.5089720677014454
Energy: 0.48328250764970787
Energy: 0.49088755503468406
Energy: 0.5189946127085445
Energy: 0.48312313622976266
Energy: 0.48574878695669077
Energy: 0.47906399712307246
Energy: 0.47256996369657867
Energy: 0.48200125616350675
Energy: 0.47318781830550544
Energy: 0.5123828034851705
Energy: 0.47082584903828995
Energy: 0.4677069176254938
Energy: 0.46873529035669237
Energy: 0.471145423138312
Energy: 0.4851236163514964
Energy: 0.48852692646587503
Energy: 0.492022724554042
Energy: 0.48882550565789756
Energy: 0.4854753837801567
Energy: 0.47207580164889407
Energy: 0.498243663940624
Energy: 0.5395272550361686
Energy: 0.4863852309740979
Energy: 0.5096759338026123
Energy: 0.532641201566208
Energy: 0.4916675224151751
Energy: 0.5410293168046465
Energy: 0.4541850416642241
Energy: 0.48640375134475955
Energy: 0.5335484996617423
Energy: 0.4534526669069566
Energy: 0.5209952768527533
Energy: 0.5633649630696506

minimum gb energy = 0.3765157160170663 eV
minimum distance =  2.58065348645812 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6240214520722862
Energy: 0.6410508664031558
Energy: 0.5938962083526251
Energy: 0.5978997655999826
Energy: 0.6761845558245172
Energy: 0.6086985677079529
Energy: 0.6002579555012967
Energy: 0.5949009667333779
Energy: 0.6025019225832646
Energy: 0.5857002182878542
Energy: 0.5845682732255515
Energy: 0.580195705151173
Energy: 0.5941613681503555
Energy: 0.5746724618190677
Energy: 0.6188537490577803
Energy: 0.5898771077802659
Energy: 0.5947906363523123
Energy: 0.615606340115349
Energy: 0.5160846434613996
Energy: 0.6077794120952603
Energy: 0.612517533938954
Energy: 0.5194002294718212
Energy: 0.5871864146384326
Energy: 0.6192640606139768
Energy: 0.5178750196228642
Energy: 0.5882797639474818
Energy: 0.6032586722258915
Energy: 0.5208927157723744
Energy: 0.5833818942236231
Energy: 0.6077171238277752
Energy: 0.5823279554273816
Energy: 0.6063196476355915
Energy: 0.5693773857658874
Energy: 0.5698590190207409
Energy: 0.6226287838639948
Energy: 0.5808055348529516
Energy: 0.5183744123601725
Energy: 0.5833673516924227
Energy: 0.6047848482714561
Energy: 0.5199146271766232
Energy: 0.5619551581651744
Energy: 0.5324513204959256
Energy: 0.521031978473965
Energy: 0.5316436810572884
Energy: 0.5383318261380464
Energy: 0.5225935154652084
Energy: 0.5319973925123385
Energy: 0.5295061508556376
Energy: 0.5491979041260684
Energy: 0.593402066638905
Energy: 0.5559292119651322
Energy: 0.5495099877515507
Energy: 0.5513370540888805
Energy: 0.5542338154110559
Energy: 0.5337575531986858
Energy: 0.4654560689706299
Energy: 0.4654471022268029
Energy: 0.5374531816328559
Energy: 0.4653844221947804
Energy: 0.46549043449502375
Energy: 0.5542438849846647
Energy: 0.529615274492661
Energy: 0.5326367198394761
Energy: 0.528244259549458
Energy: 0.5260215320168338
Energy: 0.5343729197820026
Energy: 0.4409300745340483
Energy: 0.5353263155146009
Energy: 0.5356109540794737
Energy: 0.44094005375371176
Energy: 0.5226980890984817
Energy: 0.44039072518924205
Energy: 0.4435204134966176
Energy: 0.5229090376353898
Energy: 0.5254404802382163
Energy: 0.44351561549211116
Energy: 0.5237416828714933
Energy: 0.4414364435944677
Energy: 0.5218597651165519
Energy: 0.51573232692884
Energy: 0.5325405747111689
Energy: 0.5202600047914584
Energy: 0.5136727652905554
Energy: 0.5252108929649946
Energy: 0.5104393572775101
Energy: 0.4399987842385032
Energy: 0.44002941601184403
Energy: 0.5132254848901631
Energy: 0.4398375826949209
Energy: 0.44035120248178483
Energy: 0.5181072329437004
Energy: 0.5323863543548303
Energy: 0.5306167863780137
Energy: 0.5191642109848515
Energy: 0.5313144740035693
Energy: 0.5288987349804332
Energy: 0.4699407941164176
Energy: 0.5262301127024323
Energy: 0.522605416071976
Energy: 0.46625421904223846
Energy: 0.5261487566037123
Energy: 0.4683514869010318
Energy: 0.4660389240676471
Energy: 0.5573636292750371
Energy: 0.5699171835455532
Energy: 0.4661972283887051
Energy: 0.529009898655949
Energy: 0.5339567860834508
Energy: 0.5588404227074271
Energy: 0.559003086806641
Energy: 0.5491366149344478
Energy: 0.5434843022545585
Energy: 0.5586601897437679
Energy: 0.5341460363376528
Energy: 0.544708571804643
Energy: 0.519016277356287
Energy: 0.5294647703580182
Energy: 0.5416480217507565
Energy: 0.5195668623739219
Energy: 0.540463249668539
Energy: 0.526083480347076
Energy: 0.5962237719392388
Energy: 0.5694836216853186
Energy: 0.5269917747097915
Energy: 0.5467830381277689
Energy: 0.5712660043931554
Energy: 0.5915092003540743
Energy: 0.5582366966567263
Energy: 0.5707598014410323
Energy: 0.5900504656596256
Energy: 0.5571271560387104
Energy: 0.5692383621142325
Energy: 0.5489800242394548
Energy: 0.589868888150541
Energy: 0.6081078440760054
Energy: 0.5462675872925941
Energy: 0.5716422944759738
Energy: 0.6047189140648624

minimum gb energy = 0.4398375826949209 eV
minimum distance =  2.58101060668253 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.6968889561448268
Energy: 0.6110053271985364
Energy: 0.695548779507519
Energy: 0.6972351413070719
Energy: 0.7093169823048033
Energy: 0.6185874212729773
Energy: 0.621830907462829
Energy: 0.589151159463125
Energy: 0.6273677597493091
Energy: 0.6334596971974927
Energy: 0.6077469213505348
Energy: 0.6415619792709127
Energy: 0.6970639819649364
Energy: 0.6535891201595272
Energy: 0.6523477591633793
Energy: 0.6076859390215228
Energy: 0.6003759089627002
Energy: 0.6311722936180304
Energy: 0.5884000886273034
Energy: 0.6513356520843286
Energy: 0.6419301224840859
Energy: 0.5887459535870843
Energy: 0.6273387518385006
Energy: 0.6393097854002205
Energy: 0.5290148563732215
Energy: 0.6120991991426732
Energy: 0.6282629261128199
Energy: 0.5287561093511166
Energy: 0.6143636516918658
Energy: 0.6311214629338396
Energy: 0.6212085699029942
Energy: 0.6361253457348771
Energy: 0.6364075296861682
Energy: 0.622507478152914
Energy: 0.635127811421414
Energy: 0.5817466985910434
Energy: 0.527893142501666
Energy: 0.6094366980801936
Energy: 0.626026298143874
Energy: 0.5280601942018838
Energy: 0.5984937786030234
Energy: 0.5237643567207879
Energy: 0.5300428398658323
Energy: 0.5937873481394881
Energy: 0.5815372731838103
Energy: 0.5291537685762786
Energy: 0.5744494364109626
Energy: 0.5259029695738042
Energy: 0.5828344250852058
Energy: 0.5891169880625138
Energy: 0.5785360497438156
Energy: 0.57492261496365
Energy: 0.5421522643063352
Energy: 0.5782637585696148
Energy: 0.5508889738950071
Energy: 0.47869904047749906
Energy: 0.47889059912602966
Energy: 0.5513218032117709
Energy: 0.47816592547575437
Energy: 0.47877009451317126
Energy: 0.5660215668013867
Energy: 0.5421032243391565
Energy: 0.5612797749564249
Energy: 0.5604725721297065
Energy: 0.5463959646412051
Energy: 0.5671338126200794
Energy: 0.47957222078742684
Energy: 0.5658747142158793
Energy: 0.5687121134564342
Energy: 0.4795786819305749
Energy: 0.5567630992247963
Energy: 0.47970575417378075
Energy: 0.4780694053005741
Energy: 0.5795339624583679
Energy: 0.5967087029717301
Energy: 0.478146966785574
Energy: 0.5549750879014176
Energy: 0.47897439599308284
Energy: 0.5674179602805867
Energy: 0.5714648409638761
Energy: 0.5757446119068699
Energy: 0.5767910394481505
Energy: 0.5693581334103776
Energy: 0.562979719839818
Energy: 0.5619742351601826
Energy: 0.5284762285295014
Energy: 0.5278596489418166
Energy: 0.5497550154037293
Energy: 0.5283138228956461
Energy: 0.5413310707930727
Energy: 0.5947813657223171
Energy: 0.6152093267410202
Energy: 0.5948263514786172
Energy: 0.600899121342324
Energy: 0.4900828241694389
Energy: 0.6237243102193956
Energy: 0.615177398823233
Energy: 0.5957541735384434
Energy: 0.595294280660242
Energy: 0.6099399456900674
Energy: 0.5962919050607134
Energy: 0.5883099957519915
Energy: 0.6103428480710629
Energy: 0.5935945287535248
Energy: 0.6174077623081008
Energy: 0.6088291160314526
Energy: 0.6030562949004142
Energy: 0.597143638982482
Energy: 0.6896360620502495
Energy: 0.6471408969301532
Energy: 0.6634843325333711
Energy: 0.6634045937462751
Energy: 0.6237448437037266
Energy: 0.5810133591491474
Energy: 0.565908064489715
Energy: 0.6126544427727405
Energy: 0.5913809016122415
Energy: 0.5666215461078064
Energy: 0.6077783783415558
Energy: 0.634065728390084
Energy: 0.6081784635033155
Energy: 0.6356910026793906
Energy: 0.6426607681303645
Energy: 0.6066510512276623
Energy: 0.5256623857768262
Energy: 0.6359295854513691
Energy: 0.5911469531598059
Energy: 0.6558917943251419
Energy: 0.6488182826099348
Energy: 0.5895651957161628
Energy: 0.6009466341001019
Energy: 0.6364568938842475
Energy: 0.528817658856814
Energy: 0.6134757098072143
Energy: 0.6302540964516603
Energy: 0.5815705395855921
Energy: 0.6051082712616809
Energy: 0.6328074863282294
Energy: 0.6396831316683554
Energy: 0.6331458508741369
Energy: 0.6362520077259612
Energy: 0.6351255367363516
Energy: 0.6429617579893738
Energy: 0.5868052666820894
Energy: 0.528000462019979
Energy: 0.6033559686948273
Energy: 0.6434078605577523
Energy: 0.5280436018039554
Energy: 0.5925358268590737
Energy: 0.6382714277120224
Energy: 0.526931810199885
Energy: 0.5739648604273334
Energy: 0.581445227490403
Energy: 0.531412271645916
Energy: 0.5770705253206624
Energy: 0.5507328292454341
Energy: 0.5661003496258794
Energy: 0.5749449973298377
Energy: 0.5789870030201415
Energy: 0.5684417534815299
Energy: 0.5637671997130259
Energy: 0.5791179325707979
Energy: 0.5414012029651081
Energy: 0.4789558490719788
Energy: 0.47907602144866146
Energy: 0.5459117611824403
Energy: 0.47868790334912653
Energy: 0.4781282803463654
Energy: 0.5652246675024826
Energy: 0.5474993472769574
Energy: 0.5666834082114214
Energy: 0.5676097458638709
Energy: 0.5417484086440467
Energy: 0.5638776523387059
Energy: 0.4793160777127278
Energy: 0.5705088846908949
Energy: 0.5757161079650273
Energy: 0.47939737119305686
Energy: 0.5676086325147657
Energy: 0.47964154254992825
Energy: 0.4778988443573765
Energy: 0.5775091426636968
Energy: 0.4781993495852944
Energy: 0.47806538731929143
Energy: 0.5422418746199071
Energy: 0.47906443735476456
Energy: 0.5768186110741731
Energy: 0.5810428090952406
Energy: 0.5773871887009436
Energy: 0.5711372143667719
Energy: 0.5673448628136418
Energy: 0.561960467550265
Energy: 0.5523469565827935
Energy: 0.5283490976505523
Energy: 0.5259316367859949
Energy: 0.5583783016585553
Energy: 0.5279871776635763
Energy: 0.5458595957600559
Energy: 0.5922958079410351
Energy: 0.48995378757072855
Energy: 0.6379871140248126
Energy: 0.5704561710390978
Energy: 0.5694509144236587
Energy: 0.6410129708930644
Energy: 0.6131215777495155
Energy: 0.5953597494477515
Energy: 0.5953180079293651
Energy: 0.6092087480910953
Energy: 0.5777205870263951
Energy: 0.5833678373681866
Energy: 0.6198729972237218
Energy: 0.596366175722761
Energy: 0.6377300320378689
Energy: 0.6145421883936081
Energy: 0.6006295069120091
Energy: 0.6337613029438436
Energy: 0.6892427214565718
Energy: 0.614835463983964
Energy: 0.6577881441040927
Energy: 0.6500689506298711
Energy: 0.6247812217529696
Energy: 0.5823865974702

minimum gb energy = 0.4778988443573765 eV
minimum distance =  2.59777896205931 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6505388532783676
Energy: 0.7553781319122803
Energy: 0.7318948327063065
Energy: 0.6522876733591416
Energy: 0.860384620025655
Energy: 0.7208377813133441
Energy: 0.6421408693595262
Energy: 0.6196487701761271
Energy: 0.6385191835061608
Energy: 0.632325216557277
Energy: 0.6178332923890069
Energy: 0.6602570927248859
Energy: 0.6182811458283872
Energy: 0.6774559984083427
Energy: 0.670701502675701
Energy: 0.6178848768209146
Energy: 0.5363459709888316
Energy: 0.6396170216125561
Energy: 0.6034507399541135
Energy: 0.6535504403214473
Energy: 0.6525001055160452
Energy: 0.6056110845003899
Energy: 0.6112113365298938
Energy: 0.6036188041883763
Energy: 0.5920375024854294
Energy: 0.6178817501582606
Energy: 0.6161788696764271
Energy: 0.5748689719573354
Energy: 0.6164412521143999
Energy: 0.6583026936353439
Energy: 0.6208782671290248
Energy: 0.6554287009010971
Energy: 0.6569902533130327
Energy: 0.6195852052727162
Energy: 0.6518403090345489
Energy: 0.6477779152905888
Energy: 0.5365862219294438
Energy: 0.6216622638764112
Energy: 0.6542700965329746
Energy: 0.5368061698924755
Energy: 0.6167476752665418
Energy: 0.537587884093228
Energy: 0.534986955037565
Energy: 0.6135330014605441
Energy: 0.5621521676206775
Energy: 0.539840220438772
Energy: 0.6249181226425811
Energy: 0.5792334333874474
Energy: 0.5997825972299307
Energy: 0.5956248636906625
Energy: 0.6154956898675988
Energy: 0.583034749918222
Energy: 0.5856377101456708
Energy: 0.6094384087482588
Energy: 0.5805182028159759
Energy: 0.5370527542429342
Energy: 0.536475323477849
Energy: 0.5803961099284702
Energy: 0.5364817001215192
Energy: 0.5615557120677054
Energy: 0.6098509689938848
Energy: 0.5394995424020699
Energy: 0.6266705621976265
Energy: 0.5526741984169966
Energy: 0.5708595103461809
Energy: 0.62616757603265
Energy: 0.6276953070168384
Energy: 0.6228185642966136
Energy: 0.6163463959407834
Energy: 0.6279748607567273
Energy: 0.6567597063783068
Energy: 0.6016413941747473
Energy: 0.6248212351016345
Energy: 0.6252836358740161
Energy: 0.6406019557157863
Energy: 0.6178852573258794
Energy: 0.6035303554845527
Energy: 0.6052925988589073
Energy: 0.6543397263399461
Energy: 0.6510626542523587
Energy: 0.6618279716951935
Energy: 0.6554849147057945
Energy: 0.6393699983084865
Energy: 0.668187613098801

minimum gb energy = 0.534986955037565 eV
minimum distance =  2.60674498024144 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.7962256543420014
Energy: 0.6875619674644374
Energy: 0.6529206248713769
Energy: 0.7981192082650189
Energy: 0.6891950215460728
Energy: 0.7097252576616786
Energy: 0.6478633329036162
Energy: 0.5646482702827537
Energy: 0.5641405038952084
Energy: 0.6386530954169425
Energy: 0.5665659329715377
Energy: 0.5831149048758696
Energy: 0.6394521894167954
Energy: 0.5668836299100681
Energy: 0.6387650663737181
Energy: 0.6371975432873805
Energy: 0.6364877329721664
Energy: 0.6320628778971988
Energy: 0.6417296466512706
Energy: 0.5708732970114705
Energy: 0.649022955031393
Energy: 0.6369709521304658
Energy: 0.5827867854112022
Energy: 0.6302335080441289
Energy: 0.606585990193081
Energy: 0.5654701633713503
Energy: 0.5605174010393627
Energy: 0.6068914459337342
Energy: 0.5655827990065773
Energy: 0.569342286271582
Energy: 0.6360675165496144
Energy: 0.5977102642520451
Energy: 0.5972511268557451
Energy: 0.635219585445686
Energy: 0.6003033990609645
Energy: 0.6315749826539784
Energy: 0.5978713657270502
Energy: 0.6291666264416341
Energy: 0.6302552744924723
Energy: 0.5872516595359374
Energy: 0.6162917381648884
Energy: 0.5867149460035914
Energy: 0.5697408299760461
Energy: 0.6176624510104745
Energy: 0.6007675283790772
Energy: 0.5644645925540954
Energy: 0.6128822811310475
Energy: 0.5614894901396461
Energy: 0.6268993773631859
Energy: 0.6290245066010436
Energy: 0.6288823845764693
Energy: 0.6053771009867974
Energy: 0.6819986388577404
Energy: 0.6289445671506583
Energy: 0.6354257353268556
Energy: 0.6349988871944692
Energy: 0.6221937918071491
Energy: 0.6283199196909229
Energy: 0.6353667909961755
Energy: 0.6724875515640418
Energy: 0.6086871372616437
Energy: 0.581425761496509
Energy: 0.5825685080647764
Energy: 0.5650666852071611
Energy: 0.6085658902191363
Energy: 0.5650915987026914
Energy: 0.647990962382171
Energy: 0.6491041635231803
Energy: 0.6367324221959354
Energy: 0.6191863333934454
Energy: 0.7605781949465635
Energy: 0.67376130998384
Energy: 0.5812565290210744
Energy: 0.6298036903263644
Energy: 0.6420441299264759
Energy: 0.5751276353072435
Energy: 0.6344405829080734
Energy: 0.5826093622226245
Energy: 0.6515074639737214
Energy: 0.6377139067360623
Energy: 0.6365222553022053
Energy: 0.6738552954646714
Energy: 0.6379960255876109
Energy: 0.6374745698413797
Energy: 0.6073090817034003
Energy: 0.667200278456767
Energy: 0.6713343447317347
Energy: 0.5958907740186941
Energy: 0.6163290762340026
Energy: 0.6696808523401145
Energy: 0.5522487507870415
Energy: 0.6146882716680567
Energy: 0.6146044935130124
Energy: 0.5518878437718148
Energy: 0.6003018020101965
Energy: 0.5501852614953623
Energy: 0.5822692082753144
Energy: 0.6348770933763749
Energy: 0.6433386486030016
Energy: 0.5853765577572582
Energy: 0.6044906229812917
Energy: 0.6419944020366914
Energy: 0.660322042727223
Energy: 0.5956154037897619
Energy: 0.6057768171073665
Energy: 0.6614728091923473
Energy: 0.5954551519357205
Energy: 0.5964802093003707
Energy: 0.5950861325669363
Energy: 0.5917569909677748
Energy: 0.5898794496111625
Energy: 0.590097224942799
Energy: 0.5923479242693738
Energy: 0.6145227396659625
Energy: 0.6894955256934686
Energy: 0.6026697380690215
Energy: 0.6708609600699101
Energy: 0.6196702838353202
Energy: 0.6473154635425434
Energy: 0.6102374475378459
Energy: 0.59395427756062
Energy: 0.5733427357576917
Energy: 0.6394645345613656
Energy: 0.5936064214613503
Energy: 0.5690130731719901
Energy: 0.5948155502795132
Energy: 0.625991014581007
Energy: 0.5935641925793911
Energy: 0.5928880878906903
Energy: 0.6076404497017798
Energy: 0.5926568850918587
Energy: 0.5822765282789623
Energy: 0.6369850905907251
Energy: 0.6110141278277846
Energy: 0.6262553380501444
Energy: 0.7432769349135827
Energy: 0.6242391133859653
Energy: 0.6162652139604253
Energy: 0.5963089290875276
Energy: 0.5829620382726566
Energy: 0.6083321677046474
Energy: 0.5947116449795542
Energy: 0.5876193345659475
Energy: 0.6158673740519174
Energy: 0.6090103653584835
Energy: 0.6218754761090638
Energy: 0.597670314356261
Energy: 0.600721971124594
Energy: 0.6353836028762986
Energy: 0.6050287619441906
Energy: 0.6049996523437661
Energy: 0.5772513922898045
Energy: 0.6173210743561391
Energy: 0.6111718920368555
Energy: 0.5842788319199409
Energy: 0.6430286154095718
Energy: 0.6103241107800704
Energy: 0.5518902062913249
Energy: 0.5514695544636576
Energy: 0.6036930892072656
Energy: 0.551633284588526
Energy: 0.5519312547515101
Energy: 0.5999254987953556
Energy: 0.5757979941830033
Energy: 0.6642992749058133
Energy: 0.6217829897603432
Energy: 0.5941323897893769
Energy: 0.6743704552558952
Energy: 0.6494985939708857
Energy: 0.6055902635987103
Energy: 0.6075888799863455
Energy: 0.6419349163645052
Energy: 0.6571655531066052
Energy: 0.6104780905275397
Energy: 0.639521325545385
Energy: 0.5689763289013746
Energy: 0.5814759289112329
Energy: 0.6340178916168625
Energy: 0.5804402667035645
Energy: 0.6406686914038361
Energy: 0.798818000792677
Energy: 0.5721966949286514
Energy: 0.610215343254577
Energy: 0.8001601498049784
Energy: 0.6192828327062592
Energy: 0.6549000558493888

minimum gb energy = 0.5501852614953623 eV
minimum distance =  2.54292787290051 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.7247202531915499
Energy: 0.6829117386250747
Energy: 0.6704241199130081
Energy: 0.7275772552069647
Energy: 0.8300264302312682
Energy: 0.6714361676955206
Energy: 0.5726389008320936
Energy: 0.5575281242955783
Energy: 0.5441835936920867
Energy: 0.5655367164896611
Energy: 0.5653377299723296
Energy: 0.5825641280549424
Energy: 0.5607385467099956
Energy: 0.5990654361304146
Energy: 0.6000797847497291
Energy: 0.556935114651449
Energy: 0.6337167200745077
Energy: 0.5478550458983341
Energy: 0.53065092899111
Energy: 0.5331803842954461
Energy: 0.5478956962810849
Energy: 0.5318030196594329
Energy: 0.5699261143263229
Energy: 0.545005097267937
Energy: 0.5422723440053588
Energy: 0.5571789910113003
Energy: 0.5321141658049257
Energy: 0.5694193127838963
Energy: 0.5659541384792898
Energy: 0.5477352562409108
Energy: 0.5817997446822605
Energy: 0.6072102771844725
Energy: 0.6062238453372102
Energy: 0.562256035907964
Energy: 0.6090665847428192
Energy: 0.5364682411635026
Energy: 0.6062530698985468
Energy: 0.5515706632155356
Energy: 0.5502665391433524
Energy: 0.6066694804842462
Energy: 0.5513852958652724
Energy: 0.5669058085197513
Energy: 0.5628015064457864
Energy: 0.5488329501583905
Energy: 0.5310682880686551
Energy: 0.5665081640072197
Energy: 0.5492026946496141
Energy: 0.5469452949323876
Energy: 0.5917281722122211
Energy: 0.5563502393790277
Energy: 0.6291485324341168
Energy: 0.5930552983982433
Energy: 0.5991711465958979
Energy: 0.5075352169836227
Energy: 0.5862263463318572
Energy: 0.5564616274095887
Energy: 0.5058058441796724
Energy: 0.5803785293140884
Energy: 0.5648539061092045
Energy: 0.5047064028125448
Energy: 0.5660688476222631
Energy: 0.5481005337318294
Energy: 0.5489403362007682
Energy: 0.5613137388606191
Energy: 0.5656945356945215
Energy: 0.5467681322270187
Energy: 0.7315632007183193
Energy: 0.633663980348767
Energy: 0.5266460044285415
Energy: 0.7357219544230272
Energy: 0.63411399883405
Energy: 0.5565195556887648
Energy: 0.547584931031277
Energy: 0.544044563669237
Energy: 0.5456617899188828
Energy: 0.5477772433690705
Energy: 0.5658942265404981
Energy: 0.5443168614997074
Energy: 0.6396685600764322
Energy: 0.5986942213261783
Energy: 0.5296625325608723
Energy: 0.6406005157105691
Energy: 0.6055673993171428
Energy: 0.5564329743299797
Energy: 0.5432511935629252
Energy: 0.5417346263044619
Energy: 0.533029803381077
Energy: 0.5529935645657774
Energy: 0.5494406557385876
Energy: 0.5467886099627133
Energy: 0.5603543671658748
Energy: 0.5472834073244734
Energy: 0.546571301620476
Energy: 0.5578741218369866
Energy: 0.547949147766438
Energy: 0.5304167051187433
Energy: 0.535488463817922
Energy: 0.5384650599011276
Energy: 0.5400446553043898
Energy: 0.5090424580320229
Energy: 0.5442429529905691
Energy: 0.5466432708027398

minimum gb energy = 0.5047064028125448 eV
minimum distance =  2.56170324393262 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.8502986878102096
Energy: 0.9326268793289724
Energy: 0.6178157920335218
Energy: 0.8503586688532091
Energy: 0.9340489534585082
Energy: 0.5833909821782504
Energy: 0.6250627636735475
Energy: 0.58876604430088
Energy: 0.6020873403324739
Energy: 0.6185840949226934
Energy: 0.5918664760370054
Energy: 0.59594626658702
Energy: 0.6407735140428117
Energy: 0.628436963980731
Energy: 0.6006583216340776
Energy: 0.6380283575515155
Energy: 0.6258222541845909
Energy: 0.5984664788902113
Energy: 0.5913877989269097
Energy: 0.5922569433766876
Energy: 0.589596876616743
Energy: 0.5909461422930287
Energy: 0.6141650217528647
Energy: 0.5900439101605791
Energy: 0.5883844966571247
Energy: 0.5874150120499712
Energy: 0.5758377571856959
Energy: 0.5853142351521454
Energy: 0.5966208495699399
Energy: 0.5957993126287506
Energy: 0.5885968178084248
Energy: 0.5944907701630966
Energy: 0.5898344661410058
Energy: 0.5878482922718565
Energy: 0.5833514244305094
Energy: 0.5926467077919197
Energy: 0.6335943436039232
Energy: 0.6785424750613059
Energy: 0.5805394555985717
Energy: 0.6313545014677993
Energy: 0.6646336351728355
Energy: 0.5845874580764049
Energy: 0.5858780085781519
Energy: 0.5841588170839065
Energy: 0.5891979969268661
Energy: 0.5857102510300569
Energy: 0.5929489172835439
Energy: 0.592492221058491
Energy: 0.6696323363931728
Energy: 0.6090169700281002
Energy: 0.5967169176042326
Energy: 0.659365229231529
Energy: 0.614851818730245
Energy: 0.587082269930106
Energy: 0.6773527861101275
Energy: 0.5846976143664996
Energy: 0.5958618922710743
Energy: 0.6787805746754209
Energy: 0.611652452908677
Energy: 0.5919794669054075
Energy: 0.586423916276012
Energy: 0.5930851951143001
Energy: 0.5850320469857299
Energy: 0.5865031295893304
Energy: 0.6053224104294421
Energy: 0.5923906559284625
Energy: 0.5926241215751662
Energy: 0.5945871132572853
Energy: 0.5939481613282295
Energy: 0.5893198114157444
Energy: 0.5899375894398489
Energy: 0.5991250859766092
Energy: 0.6709573297911168
Energy: 0.6138177481582144
Energy: 0.6128706388446283
Energy: 0.6694545781591479
Energy: 0.611928219588535
Energy: 0.6464014526665802
Energy: 0.6452390672661734
Energy: 0.6049379044427505
Energy: 0.6115055516243091
Energy: 0.6472959851521585
Energy: 0.6105586928794637
Energy: 0.5902840657001072
Energy: 0.6567824742393483
Energy: 0.6323724535461194
Energy: 0.6268134543124263
Energy: 0.6229258415211809
Energy: 0.5960824343917238
Energy: 0.6256211056705896
Energy: 0.7062292357284097
Energy: 0.6508273393086995
Energy: 0.6460461067119089
Energy: 0.7001189799597765
Energy: 0.6354041051828228
Energy: 0.6275621905399941
Energy: 0.5988913244013464
Energy: 0.59729510581957
Energy: 0.5946951285966412
Energy: 0.6033398465660408
Energy: 0.6100647290381094
Energy: 0.5922203779794823
Energy: 0.6295902560041416
Energy: 0.6249545138650785
Energy: 0.6199409822578813
Energy: 0.6283638130585181
Energy: 0.6204992059511335
Energy: 0.6439109412621126
Energy: 0.5955308393195256
Energy: 0.6019433686945662
Energy: 0.5930396153842742
Energy: 0.5970888960138663
Energy: 0.5864009256579512
Energy: 0.5911392083990364
Energy: 0.6130770432811596
Energy: 0.5966323096960502
Energy: 0.5950031079591246
Energy: 0.6133734417930149
Energy: 0.6292484354485183
Energy: 0.5922428023954737
Energy: 0.5912990606046794
Energy: 0.5957380774127339
Energy: 0.5934476931327828
Energy: 0.591903802447634
Energy: 0.6020958599571229
Energy: 0.6210822928796973

minimum gb energy = 0.5758377571856959 eV
minimum distance =  2.56514255831758 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5465956520734256
Energy: 0.8265187855508729
Energy: 0.5515209524525587
Energy: 0.5482051187473177
Energy: 0.826128548606091
Energy: 0.5930092522365993
Energy: 0.5847619378024296
Energy: 0.5735081188364439
Energy: 0.5730847520943024
Energy: 0.5849633660982314
Energy: 0.5916025268885627
Energy: 0.5870628548998519
Energy: 0.5660546531930861
Energy: 0.5913652061998557
Energy: 0.5723271972585492
Energy: 0.5662098694128163
Energy: 0.551940300868639
Energy: 0.5528277451756792
Energy: 0.5658399547851922
Energy: 0.586976004514313
Energy: 0.5875350534821441
Energy: 0.5524039466648866
Energy: 0.5860566987489253
Energy: 0.5723729457196105
Energy: 0.5594018327074458
Energy: 0.5659230680599113
Energy: 0.5736694919152993
Energy: 0.5596773613229757
Energy: 0.567029337264593
Energy: 0.5810109100502339
Energy: 0.556364395513664
Energy: 0.5808667717802668
Energy: 0.5878725099941873
Energy: 0.5553910270142532
Energy: 0.5826066624574813
Energy: 0.5864554978221159
Energy: 0.5593881349006876
Energy: 0.5469185534673903
Energy: 0.5475813537881564
Energy: 0.5562720788223984
Energy: 0.5469072962647753
Energy: 0.5473616591453095
Energy: 0.6047379856450008
Energy: 0.584045576458265
Energy: 0.5888123572352847
Energy: 0.5901837054146938
Energy: 0.5619162195304549
Energy: 0.5722341070619976
Energy: 0.6002380854702943
Energy: 0.5814128430569253
Energy: 0.5528147619807992
Energy: 0.5949484895830182
Energy: 0.5840813057676816
Energy: 0.572666441437318
Energy: 0.5984255635688688
Energy: 0.5520242001248896
Energy: 0.5746016998421631
Energy: 0.599298583872114
Energy: 0.5623361328078386
Energy: 0.5722188369525347
Energy: 0.5816279948081535
Energy: 0.5537361481321468
Energy: 0.5800556283866418
Energy: 0.5849312708653694
Energy: 0.5597626765947549
Energy: 0.5724380282282788
Energy: 0.5806861488538433
Energy: 0.5536674682008388
Energy: 0.5992753108016438
Energy: 0.5802594464280363
Energy: 0.5531877782713781
Energy: 0.5793608784080383
Energy: 0.5494565659746856
Energy: 0.5532796458189143
Energy: 0.5469627745263725
Energy: 0.5474593723109957
Energy: 0.5537723545628387
Energy: 0.5923857237899635
Energy: 0.5593836652285464
Energy: 0.5801720574401077
Energy: 0.5728443588177053
Energy: 0.5600046459941554
Energy: 0.5821744529841288
Energy: 0.5834387281621047
Energy: 0.5828841869706274
Energy: 0.5938095043086554
Energy: 0.5879657557596751
Energy: 0.582056057566716
Energy: 0.5931869185952069
Energy: 0.572594492693322
Energy: 0.5637346813445623
Energy: 0.5733892153982074
Energy: 0.5722951005984863
Energy: 0.6906067766468237
Energy: 0.5943830184423784
Energy: 0.5525178869859286
Energy: 0.5607190653134164
Energy: 0.5729923395828408
Energy: 0.5731545101924558
Energy: 0.5601666778449275
Energy: 0.5817537211743312
Energy: 0.5790537741895577
Energy: 0.5546986588722064
Energy: 0.5813211407023627
Energy: 0.5729959217928627
Energy: 0.5541969656423464
Energy: 0.5815999029257783
Energy: 0.5728304464776237
Energy: 0.5596148140498252
Energy: 0.5808860267010272
Energy: 0.5794450948102126
Energy: 0.5532979519696157
Energy: 0.5473742063580656
Energy: 0.5836986221353293
Energy: 0.5846354077264095
Energy: 0.5782692129360565
Energy: 0.589095662726522
Energy: 0.5659935315558959
Energy: 0.5472605591283256
Energy: 0.5833054789955213
Energy: 0.5820056430542505
Energy: 0.5796929395862467
Energy: 0.5742758706768506
Energy: 0.581731908962627
Energy: 0.5811910155147793
Energy: 0.5912551589710565
Energy: 0.561400291085236
Energy: 0.5624596999958335
Energy: 0.552655540763232
Energy: 0.546947533488369
Energy: 0.5567608221542366
Energy: 0.5537082490883902
Energy: 0.5845866095224564
Energy: 0.5781127274183248
Energy: 0.5871732657609768
Energy: 0.5950007454881725
Energy: 0.5544869264368738
Energy: 0.5781680658653405
Energy: 0.5839505320105425
Energy: 0.5535565612123994
Energy: 0.5797524687186101
Energy: 0.5833784931475615
Energy: 0.5906438837697908
Energy: 0.5735522067217846
Energy: 0.5596449996530409
Energy: 0.55401024170977
Energy: 0.5723791925131714
Energy: 0.5600878363738324
Energy: 0.5539487533007749
Energy: 0.5835135140987279

minimum gb energy = 0.5465956520734256 eV
minimum distance =  2.60955539651923 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.7733212003980571
Energy: 0.9306325559501377
Energy: 0.7016582501040034
Energy: 0.8311927905997705
Energy: 0.932524937118272
Energy: 0.7138341061570614
Energy: 0.6689939125220612
Energy: 0.601911788873103
Energy: 0.5883126133323706
Energy: 0.6681931140749647
Energy: 0.5898382507939267
Energy: 0.623004315555951
Energy: 0.6160406701780492
Energy: 0.5588008000881665
Energy: 0.551393259598366
Energy: 0.6160726148604083
Energy: 0.5509942124338303
Energy: 0.6221805612261099
Energy: 0.5934930119361
Energy: 0.6170382781219119
Energy: 0.6191161852606812
Energy: 0.595523833990362
Energy: 0.592570982046447
Energy: 0.6320904565371986
Energy: 0.5584407998445249
Energy: 0.6142048518228994
Energy: 0.6168669093193573
Energy: 0.5580981689020323
Energy: 0.6116608547194569
Energy: 0.5512072960053613
Energy: 0.6063433931768561
Energy: 0.6139599090465306
Energy: 0.6173635281962746
Energy: 0.5982111091833792
Energy: 0.6241920870577609
Energy: 0.6179235017291406
Energy: 0.7446925797345072
Energy: 0.719203631059785
Energy: 0.5954132287652522
Energy: 0.7019305858453867
Energy: 0.7387082198216147
Energy: 0.6357907669008809
Energy: 0.6503213298466735
Energy: 0.6179580400483567
Energy: 0.6166440254608259
Energy: 0.6008970948946787
Energy: 0.6081421848363131
Energy: 0.5949882082823498
Energy: 0.5545355155625802
Energy: 0.5918060872576885
Energy: 0.6112502382042623
Energy: 0.5537246331481637
Energy: 0.5924217638436018
Energy: 0.5499831355299398
Energy: 0.5565769374056618
Energy: 0.582889347872371
Energy: 0.6143678016748145
Energy: 0.559927595492061
Energy: 0.5970088233709236
Energy: 0.6125172585190991
Energy: 0.6373896557262753
Energy: 0.5412768034941569
Energy: 0.5389969610589523
Energy: 0.642660095520002
Energy: 0.6901025284492034
Energy: 0.6628674519585002
Energy: 0.6219124786988032
Energy: 0.6039747593424825
Energy: 0.6136793497965594
Energy: 0.6221629823825178
Energy: 0.5707341786299844
Energy: 0.5800152124095678
Energy: 0.7213724167228063
Energy: 0.6407382938397516
Energy: 0.6465598453021161
Energy: 0.6590293568831317
Energy: 0.7224749768727879
Energy: 0.6803382223853752
Energy: 0.6104182359921331
Energy: 0.6000148106203613
Energy: 0.5996624562230868
Energy: 0.6044808581723761
Energy: 0.6001397581723262
Energy: 0.6335622055475932
Energy: 0.6039337434681863
Energy: 0.5576575030563388
Energy: 0.5394579778551374
Energy: 0.6049461740294286
Energy: 0.5519895724639442
Energy: 0.592391265998034
Energy: 0.598107052949267
Energy: 0.558679292562888
Energy: 0.6153823923026778
Energy: 0.6004762352325896
Energy: 0.5429376212798602
Energy: 0.576407046639061
Energy: 0.6738363248460859
Energy: 0.6359264878317181
Energy: 0.6134966977830096
Energy: 0.6751251311558912
Energy: 0.665907514628378
Energy: 0.6100254450704032
Energy: 0.6024733588118378
Energy: 0.5974247207137833
Energy: 0.5780336189792374
Energy: 0.6052794034751638
Energy: 0.6017739409800325
Energy: 0.5785716937277163
Energy: 0.647489004428175
Energy: 0.5399924488240356
Energy: 0.5981498141815789
Energy: 0.6519072426333351
Energy: 0.5383071391743828
Energy: 0.6282224280534398
Energy: 0.6384388517585872
Energy: 0.5587016410197012
Energy: 0.6038828111153294
Energy: 0.6437051730971647
Energy: 0.540068292483524
Energy: 0.5992938443332879
Energy: 0.5439173309929308
Energy: 0.58868216888449
Energy: 0.5783955325520334
Energy: 0.544440291927013
Energy: 0.5973891251783515
Energy: 0.5937718293902795
Energy: 0.5532809691532462
Energy: 0.6111975731624233
Energy: 0.5812959963552631
Energy: 0.5560546875232044
Energy: 0.6211740095326479
Energy: 0.5917265822504465
Energy: 0.6794656845894309
Energy: 0.5407489970347971
Energy: 0.6482057479255176
Energy: 0.7032419566688425
Energy: 0.5633090604822224
Energy: 0.6462240738810487
Energy: 0.6763989182225283
Energy: 0.5411873059931315
Energy: 0.6421131738745018
Energy: 0.6291174204952281
Energy: 0.5473307558659147
Energy: 0.637349119886851
Energy: 0.605087568817613
Energy: 0.6203630563046425
Energy: 0.5809474338567199
Energy: 0.6058753270414838
Energy: 0.6161384666761923
Energy: 0.5840723816152921
Energy: 0.6186587434150237
Energy: 0.6107708315301608
Energy: 0.6101661714498485
Energy: 0.57333870802223
Energy: 0.634171092614203
Energy: 0.6015787060907215
Energy: 0.5907790391261304
Energy: 0.5527771010699032
Energy: 0.6137256454115948
Energy: 0.5915766605600781
Energy: 0.5546232252776998
Energy: 0.5844987024539148
Energy: 0.595010575488682
Energy: 0.5514875547601691
Energy: 0.6111562857412673
Energy: 0.5991070479720572
Energy: 0.5676356763581235
Energy: 0.6106972744846082
Energy: 0.6437169146835664
Energy: 0.6174595339756471
Energy: 0.5880566131299159
Energy: 0.6218515994771678
Energy: 0.6052208443826239
Energy: 0.6093307226751785

minimum gb energy = 0.5383071391743828 eV
minimum distance =  2.55081740000124 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.7522531083842383
Energy: 0.9046471326909953
Energy: 0.7281376953869029
Energy: 0.7536718467343426
Energy: 0.9105879564195063
Energy: 0.5206966629791742
Energy: 0.6185430251910069
Energy: 0.5783765558275191
Energy: 0.6129532459738648
Energy: 0.616543410186508
Energy: 0.5828594497152936
Energy: 0.607595964711504
Energy: 0.6169987043844448
Energy: 0.5185416207494097
Energy: 0.5192060995917182
Energy: 0.6186659696754265
Energy: 0.6409904228945761
Energy: 0.6061994057506143
Energy: 0.5942039617233956
Energy: 0.6045390699945005
Energy: 0.6056922840715585
Energy: 0.5859752266140725
Energy: 0.5860362052864784
Energy: 0.6322334378129449
Energy: 0.5277474991305264
Energy: 0.5905511537780804
Energy: 0.5878909071464644
Energy: 0.530121268985918
Energy: 0.6131876537028815
Energy: 0.528240952068622
Energy: 0.5538415658518128
Energy: 0.6046274519412561
Energy: 0.6071858793288749
Energy: 0.5544962679272643
Energy: 0.6123740990614058
Energy: 0.6077681779548585
Energy: 0.7338216308693943
Energy: 0.602793251825966
Energy: 0.6023660552382224
Energy: 0.6897431383490193
Energy: 0.5882672745005852
Energy: 0.6760405389560341
Energy: 0.5822472505558892
Energy: 0.6058632082926032
Energy: 0.6053759937612023
Energy: 0.5825913666001594
Energy: 0.6030815193347795
Energy: 0.5774053196971126
Energy: 0.5225566033912618
Energy: 0.5913728845162938
Energy: 0.5243990991209732
Energy: 0.5221568485935753
Energy: 0.5921089504754035
Energy: 0.5209042460996552
Energy: 0.5198720063829156
Energy: 0.5792754905214902
Energy: 0.6089623211561314
Energy: 0.5227708370925458
Energy: 0.6040526815146118
Energy: 0.6100924081401975
Energy: 0.6431261725269439
Energy: 0.5009120583039012
Energy: 0.5011142556232658
Energy: 0.677916707853136
Energy: 0.7093214766605519
Energy: 0.6828937773382188
Energy: 0.6007360976005831
Energy: 0.6136765823705508
Energy: 0.5805972981509138
Energy: 0.6003091230987063
Energy: 0.5598109191876068
Energy: 0.578042454048975
Energy: 0.6175187837515586
Energy: 0.5898860877058969
Energy: 0.5910806072880199
Energy: 0.6181289653618273
Energy: 0.6334133655528945
Energy: 0.6241837862730065
Energy: 0.5754278591975563
Energy: 0.5900351780324199
Energy: 0.5801262092421234
Energy: 0.5294649375342884
Energy: 0.6071176409006638
Energy: 0.5766241136160426
Energy: 0.5867480244848743
Energy: 0.5328562803699585
Energy: 0.5170543808447488
Energy: 0.5894446215127263
Energy: 0.5260007775369561
Energy: 0.5954043172999793
Energy: 0.6217854772385045
Energy: 0.5332020418091843
Energy: 0.5775254185041404
Energy: 0.6110435588106284
Energy: 0.534756748845111
Energy: 0.6084957061955655
Energy: 0.698974867039846
Energy: 0.6648025841346773
Energy: 0.5858297564408005
Energy: 0.6990977383665639
Energy: 0.6556385594417306
Energy: 0.6855890338648041
Energy: 0.610393966949617
Energy: 0.5818486345510269
Energy: 0.5871900611245862
Energy: 0.6105059877895843
Energy: 0.5820022900958914
Energy: 0.6104992402353807
Energy: 0.5973871911608617
Energy: 0.5312106194941584
Energy: 0.5163943632770246
Energy: 0.630687221786021
Energy: 0.5653965073904117
Energy: 0.6094611773839226
Energy: 0.5827213901745097
Energy: 0.5274170403771803
Energy: 0.6390819695059604
Energy: 0.6167256124417329
Energy: 0.5160483234822959
Energy: 0.632878984076251
Energy: 0.5296303392192153
Energy: 0.614489007612813
Energy: 0.6121019186797187
Energy: 0.528537469326662
Energy: 0.5855094658476427
Energy: 0.5287577493648589
Energy: 0.5505227745706165
Energy: 0.6010486615990689
Energy: 0.6083607738709138
Energy: 0.5514295729624862
Energy: 0.6101461412391553
Energy: 0.6131367687644543
Energy: 0.7208924805555189
Energy: 0.5936076551005631
Energy: 0.5960956454868948
Energy: 0.6556443415306324
Energy: 0.5601933900035978
Energy: 0.6541152382669982
Energy: 0.6171586028457982
Energy: 0.6138701430089759
Energy: 0.6351025349638427
Energy: 0.5827116158436682
Energy: 0.586228729027313
Energy: 0.5800429192334259
Energy: 0.5256912065342897
Energy: 0.5932764027546356
Energy: 0.6160586193134238
Energy: 0.5271628615282556
Energy: 0.5985627377377545
Energy: 0.5220196679723419
Energy: 0.5233208333365374
Energy: 0.5975076992678849
Energy: 0.5862432563781668
Energy: 0.5224924442783414
Energy: 0.60281332693664
Energy: 0.610847336148064
Energy: 0.6301526521393477
Energy: 0.5177213950514992
Energy: 0.5016409718584531
Energy: 0.633504073209207
Energy: 0.5006900328465267
Energy: 0.6331918928393501
Energy: 0.6184185416236941
Energy: 0.5011319855372544
Energy: 0.5741053500526418
Energy: 0.6166929252664174
Energy: 0.5144505627573753
Energy: 0.5827907099495625
Energy: 0.6186775777999068
Energy: 0.6006750975546926
Energy: 0.6095247582857143
Energy: 0.6185263675800883
Energy: 0.632377209832508
Energy: 0.5919951196153284
Energy: 0.6177088652351007
Energy: 0.6219430879317063
Energy: 0.6026031986514438
Energy: 0.618188241553867
Energy: 0.6677540994023807
Energy: 0.5828832904758052
Energy: 0.5918838783421468
Energy: 0.5420342652503656
Energy: 0.5173678109469708
Energy: 0.59279516302351
Energy: 0.5339955696105074
Energy: 0.5965488522489167
Energy: 0.6085179354887632
Energy: 0.5523249332090269
Energy: 0.568898807791024
Energy: 0.601519337441504
Energy: 0.5446251455258511
Energy: 0.5943572194600865
Energy: 0.700738768547567
Energy: 0.5891593393264833
Energy: 0.6044824370570766
Energy: 0.6997227084751315
Energy: 0.6512752740150267
Energy: 0.6373973457894906

minimum gb energy = 0.5006900328465267 eV
minimum distance =  2.5657063425236 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011593854315758729
Energy: 0.5204361511029751
Energy: 0.012089000676614671
Energy: 0.011726504423932558
Energy: 0.6819475611028045
Energy: 0.012087049603524986
Energy: 0.25247718163686533
Energy: 0.09198203353949028
Energy: 0.09118908966511648
Energy: 0.0911828573539707
Energy: 0.09112335151579985
Energy: 0.09171626950117798
Energy: 0.6868200163363327
Energy: 0.5200343316657404
Energy: 0.5182350363023562
Energy: 0.6865586908492071
Energy: 0.5179325027975376
Energy: 0.520125040833667
Energy: 0.2524771816365156
Energy: 0.09198203353982058
Energy: 0.09118908966511648
Energy: 0.09118285735364043
Energy: 0.09112335151614957
Energy: 0.09171626950117798

minimum gb energy = 0.011593854315758729 eV
minimum distance =  2.83881896413903 Angstroms
sigma value = 1