Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.935544818639755
cohesive_energy=2.035270138495227
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.448198736139199e-20, 1.097329174449966e-19, 1.3821032537303938e-19, 1.62391817092338e-19, 1.8343800935656199e-19, 2.0198640824837997e-19, 2.18471203635606e-19, 2.3318879819553e-19, 2.4635869012701e-19, 2.58163527566322e-19, 2.6873148464418595e-19, 2.78166702841812e-19, 2.8655890405070396e-19, 2.9398979927919597e-19, 3.00521873416014e-19, 3.0620639611344596e-19, 3.1109463702378e-19, 3.1522665056286595e-19, 3.18647297676456e-19, 3.21383815367328e-19, 3.23468247168162e-19, 3.2492622790510204e-19, 3.25781790227658e-19, 3.26060568961974e-19, 3.2575455322487996e-19, 3.2475639718189796e-19, 3.2293312017240597e-19, 3.2011969800310195e-19, 3.1612226730127197e-19, 3.1071972769142397e-19, 3.0360766561309797e-19, 2.94428795676912e-19, 2.8274091713188196e-19, 2.68000892099082e-19, 2.49521386802526e-19, 2.26437225859854e-19, 1.9766373568984797e-19, 1.6177497908824797e-19, 1.169345411971632e-19, 6.072521812887779e-20, -1.006372004761152e-20, -9.97744283587062e-20, -2.1438084668900398e-19, -3.6223291082779195e-19, -5.552727647519159e-19, -8.11026618660702e-19, -1.155887128246032e-18, -1.63106387871102e-18, -2.30341730316912e-18, -3.2870095605480596e-18, -4.78864961076456e-18, -7.21394449048206e-18, -1.1445869764464298e-17, -1.97110984751118e-17]
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: 0.004210847629658138
Energy: 0.004378460475223351
Energy: 0.4454404911843178
Energy: 0.059761067097099066
Energy: 0.0043784604755504886
Energy: 0.5184079914260556
Energy: 0.05976106709579053
Energy: 0.5184079914257285
Energy: 0.4454404911843178
Energy: 0.059761067097099066
Energy: 0.004210847629658138
Energy: 0.0043784604755504886
Energy: 0.05976106709677194
Energy: 0.5184079914254014
Energy: 0.0043784604755504886
Energy: 0.5184079914260556

minimum gb energy = 0.004210847629658138 eV
minimum distance =  3.40828413399131 Angstroms
sigma value = 1


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

Energy: 0.8273030771299479
Energy: 0.486215510804121
Energy: 0.5200533558379918
Energy: 0.5193833046467953
Energy: 0.5342373548791419
Energy: 0.536404930815037
Energy: 0.5102331215044387
Energy: 0.536404930814629
Energy: 0.5197952813068177
Energy: 0.5193410724171132
Energy: 0.510295105981955
Energy: 0.5193410724171132
Energy: 0.5099104046772127
Energy: 0.5099769129398151
Energy: 0.5101194476173863
Energy: 0.5099769129377747
Energy: 0.5423798099277174
Energy: 0.5103545368712572
Energy: 0.5102494875297638
Energy: 0.5103545368716652
Energy: 0.5098249794212534
Energy: 0.579434891367849
Energy: 0.510229860915662
Energy: 0.5794348913658085
Energy: 0.5434541057005602
Energy: 0.5690569058823344
Energy: 0.5429105334923946
Energy: 0.5690569058823344
Energy: 0.5428219965567296
Energy: 0.5760099334565519
Energy: 0.5181965139831227
Energy: 0.5760099334565519
Energy: 0.5484407172442807
Energy: 0.5976725784658536
Energy: 0.5426730713101897
Energy: 0.5976725784654455
Energy: 0.5490514590085134
Energy: 0.5506027637230123
Energy: 0.5488778473891271
Energy: 0.5506027637221961
Energy: 0.5479518421788194
Energy: 0.5976919046549865
Energy: 0.5489774390415151
Energy: 0.5976919046549865
Energy: 0.5486219691061698
Energy: 0.5970426869369051
Energy: 0.5187215785408947
Energy: 0.5970426869369051
Energy: 0.5434368323931593
Energy: 0.5693383210706066
Energy: 0.5478873395536815
Energy: 0.5693383210706066
Energy: 0.5100060341022906
Energy: 0.5693569147145698
Energy: 0.5415459968944614
Energy: 0.5693569147145698
Energy: 0.534075130094847
Energy: 0.5104287108819607
Energy: 0.5100886054248469
Energy: 0.5104287108819607
Energy: 0.4842158912566883
Energy: 0.5099759794603309
Energy: 0.5102087318809679
Energy: 0.5099759794517611
Energy: 0.5188829389950282
Energy: 0.5185609980650663
Energy: 0.4841406329207286
Energy: 0.5185609980646582
Energy: 0.5101680674200114
Energy: 0.510304313043651
Energy: 0.5345042971405556
Energy: 0.5103043130420186
Energy: 0.5103011523500678
Energy: 0.5202931485872966
Energy: 0.520217358973365
Energy: 0.5202931485872966
Energy: 0.509779195882161
Energy: 0.5101998326049061
Energy: 0.5097986233763173
Energy: 0.5101998326065385
Energy: 0.5100634226886781
Energy: 0.5101386928622949
Energy: 0.5423230942559089
Energy: 0.5101386928618868
Energy: 0.510238189116088
Energy: 0.5101385597141245
Energy: 0.5099218013476521
Energy: 0.5101385597149406
Energy: 0.5429712573810963
Energy: 0.570037597768937
Energy: 0.544263630643023
Energy: 0.5700375977697532
Energy: 0.5181219252895746
Energy: 0.5692054432736467
Energy: 0.543232549475715
Energy: 0.5692054432736467
Energy: 0.5489318191750422
Energy: 0.5978482597892006
Energy: 0.5483927818406598
Energy: 0.5978482597892006
Energy: 0.5495558842644924
Energy: 0.597030741883984
Energy: 0.549379357627339
Energy: 0.5970307418848001
Energy: 0.5493256044146131
Energy: 0.5976315301030367
Energy: 0.5482663152896015
Energy: 0.5976315301034447
Energy: 0.5188625120855053
Energy: 0.5974434084888429
Energy: 0.5486186749594119
Energy: 0.5974434084884349
Energy: 0.5479051494009916
Energy: 0.5695420747870859
Energy: 0.5432408272090467
Energy: 0.5695420747866778
Energy: 0.541489671192839
Energy: 0.5693700644821639
Energy: 0.5101943839548884
Energy: 0.5693700644825719
Energy: 0.510326492790529
Energy: 0.5105137979564385
Energy: 0.5340311423503662
Energy: 0.5105137979560304
Energy: 0.5102046986891496
Energy: 0.5103839060259326
Energy: 0.4841339230548783
Energy: 0.5103839060263408
Energy: 0.48413790173033594
Energy: 0.5182877753719158
Energy: 0.5184007229269559
Energy: 0.5182877753719158

minimum gb energy = 0.4841339230548783 eV
minimum distance =  3.14749646747299 Angstroms
sigma value = 1


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

Energy: 0.615191176240254
Energy: 0.5168182493521563
Energy: 0.5555212607271224
Energy: 0.5545612731966254
Energy: 0.572973214323605
Energy: 0.5705835722729937
Energy: 0.545013497019676
Energy: 0.5705835722720631
Energy: 0.5542177242888823
Energy: 0.5543191037212654
Energy: 0.5445420861047854
Energy: 0.5543191037203349
Energy: 0.5443522305915431
Energy: 0.545519967022445
Energy: 0.5450006265497415
Energy: 0.5455199670229104
Energy: 0.5442288209509425
Energy: 0.5455653266746685
Energy: 0.5444349869010114
Energy: 0.5455653266746685
Energy: 0.5442373095709758
Energy: 0.6199948478002104
Energy: 0.5452558220660592
Energy: 0.6199948478006756
Energy: 0.5448741076982111
Energy: 0.6122477032914574
Energy: 0.5810557121245575
Energy: 0.6122477032933079
Energy: 0.5815111474339826
Energy: 0.6124034603616828
Energy: 0.5529847806036928
Energy: 0.6124034603630788
Energy: 0.5492212306358442
Energy: 0.6385216300124338
Energy: 0.5856766481116488
Energy: 0.6385216300128886
Energy: 0.5533772061622857
Energy: 0.6383700234263545
Energy: 0.5868133773598248
Energy: 0.6383700234263545
Energy: 0.5855546777104098
Energy: 0.6126084532204444
Energy: 0.5825835926399697
Energy: 0.612608453219979
Energy: 0.5798040849586162
Energy: 0.6128374109625687
Energy: 0.5440995668798181
Energy: 0.6128374109634993
Energy: 0.5450642585376725
Energy: 0.545592685319277
Energy: 0.5724411652342457
Energy: 0.5455926853197423
Energy: 0.5450158909922539
Energy: 0.5447993988977444
Energy: 0.5139966368814086
Energy: 0.5447993988977444
Energy: 0.5140348602465272
Energy: 0.5530041260309242
Energy: 0.5539165376318663
Energy: 0.5530041260309242
Energy: 0.5728625746765132
Energy: 0.54489604750726
Energy: 0.5449076878677804
Energy: 0.5448960475081905
Energy: 0.5551980065621761
Energy: 0.5554952574533192
Energy: 0.5448381716645052
Energy: 0.5554952574510034
Energy: 0.5442939199108549
Energy: 0.5451050770506259
Energy: 0.5439994792945625
Energy: 0.5451050770496955
Energy: 0.5442185288232174
Energy: 0.5446160356310038
Energy: 0.5448566684252387
Energy: 0.5446160356319344
Energy: 0.5442450677366031
Energy: 0.5449601270521632
Energy: 0.5451324771039523
Energy: 0.5449601270540244
Energy: 0.5443201628497423
Energy: 0.6129355321068323
Energy: 0.5810529427193393
Energy: 0.6129355321063671
Energy: 0.5446722601493398
Energy: 0.6119005068920014
Energy: 0.5528775568444282
Energy: 0.6119005068924667
Energy: 0.5493604145284806
Energy: 0.6384887357766634
Energy: 0.5858300516320333
Energy: 0.6384887357757435
Energy: 0.5533077921377336
Energy: 0.638359087527902
Energy: 0.586831617898596
Energy: 0.6383590875292978
Energy: 0.5797384127529548
Energy: 0.6127842094231807
Energy: 0.5440030396608618
Energy: 0.6127842094208543
Energy: 0.5798275281087261
Energy: 0.6124969382317536
Energy: 0.5442199696112906
Energy: 0.6124969382317536
Energy: 0.5453701655686315
Energy: 0.5456407501191597
Energy: 0.5725005499952096
Energy: 0.5456407501182291
Energy: 0.544997803064765
Energy: 0.5452627132605736
Energy: 0.5140136718478405
Energy: 0.5452627132615042
Energy: 0.5140081423040604
Energy: 0.5529712662839747
Energy: 0.5532288051472389
Energy: 0.5529712662830442

minimum gb energy = 0.5139966368814086 eV
minimum distance =  3.14886121178038 Angstroms
sigma value = 25


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

Energy: 0.8933311133233698
Energy: 0.5516847731196987
Energy: 0.595011752986653
Energy: 0.5949067446386437
Energy: 0.6182083851382949
Energy: 0.6091009023777428
Energy: 0.5855158651684487
Energy: 0.6091009023772019
Energy: 0.5945236307477746
Energy: 0.5940034896942866
Energy: 0.5845928617809915
Energy: 0.5940034896942866
Energy: 0.5837027133450466
Energy: 0.6090702220865718
Energy: 0.5852351290950435
Energy: 0.6090702220865718
Energy: 0.5844271532531742
Energy: 0.5870230265497507
Energy: 0.5849277416444215
Energy: 0.5870230265492098
Energy: 0.5837698532852031
Energy: 0.5854744628638716
Energy: 0.5853347489179209
Energy: 0.5854744628633308
Energy: 0.5841675338826997
Energy: 0.6642762981118533
Energy: 0.6220765189439724
Energy: 0.6642762981118533
Energy: 0.5846658732256362
Energy: 0.6628840377067801
Energy: 0.5573962292513227
Energy: 0.6628840377067801
Energy: 0.6233402620445055
Energy: 0.6652821428434119
Energy: 0.6182647606981199
Energy: 0.6652821428434119
Energy: 0.5836390527599596
Energy: 0.6639815759889909
Energy: 0.5852705234321675
Energy: 0.6639815759889909
Energy: 0.5475159158681673
Energy: 0.5867907251130917
Energy: 0.5849384190077871
Energy: 0.5867907251130917
Energy: 0.5475219030906413
Energy: 0.5857050844878031
Energy: 0.5851838931879794
Energy: 0.5857050844867213
Energy: 0.5928456252482309
Energy: 0.5928328913875329
Energy: 0.5475434251159256
Energy: 0.5928328913880739
Energy: 0.5851251796349869
Energy: 0.5840560060744739
Energy: 0.6181646192589614
Energy: 0.5840560060744739
Energy: 0.5845673099647976
Energy: 0.5960970156535703
Energy: 0.5960133541318763
Energy: 0.5960970156546521
Energy: 0.5961967548367626
Energy: 0.5838138463593118
Energy: 0.594132363849459
Energy: 0.5838138463593118
Energy: 0.5855156817495005
Energy: 0.5840914012490441
Energy: 0.5844556812354039
Energy: 0.5840914012490441
Energy: 0.5856165891797236
Energy: 0.5869445925163113
Energy: 0.583783830161056
Energy: 0.5869445925163113
Energy: 0.6221141345414102
Energy: 0.6860334910982101
Energy: 0.583730966340252
Energy: 0.6860334910982101
Energy: 0.5579908652558679
Energy: 0.6641638946021248
Energy: 0.5838599230466662
Energy: 0.6641638946021248
Energy: 0.6183442780884733
Energy: 0.6654143272801324
Energy: 0.6234940638353565
Energy: 0.6654143272801324
Energy: 0.6185053394511126
Energy: 0.6646272038356075
Energy: 0.5840202143704593
Energy: 0.6646272038350666
Energy: 0.5861641836602013
Energy: 0.586908760394946
Energy: 0.54757117458423
Energy: 0.5869087603944051
Energy: 0.5851527618641245
Energy: 0.5860751674613612
Energy: 0.5475335353050291
Energy: 0.5860751674613612
Energy: 0.5474370792684423
Energy: 0.5928053306440765
Energy: 0.5930579347159092
Energy: 0.5928053306440765

minimum gb energy = 0.5474370792684423 eV
minimum distance =  3.14973402341368 Angstroms
sigma value = 9


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

Energy: 0.9002079712955113
Energy: 0.6179363402474376
Energy: 0.6502748414525824
Energy: 0.6465652367031202
Energy: 0.6680324209384704
Energy: 0.6592905671520896
Energy: 0.6518529165764204
Energy: 0.6592905671513196
Energy: 0.646358905895582
Energy: 0.6465995089004128
Energy: 0.6690805568041299
Energy: 0.6465995089004128
Energy: 0.6460267504222921
Energy: 0.6597503946751333
Energy: 0.6326174208667847
Energy: 0.6597503946748767
Energy: 0.6117734965335866
Energy: 0.6416135957805762
Energy: 0.6322492203901436
Energy: 0.6416135957812213
Energy: 0.6342069828804971
Energy: 0.6313272642028487
Energy: 0.6315615917614287
Energy: 0.6313272642025921
Energy: 0.6548605752657952
Energy: 0.7141673170031395
Energy: 0.6071107231066151
Energy: 0.7141673170024283
Energy: 0.6738425021756944
Energy: 0.7135808976499965
Energy: 0.6072234612088228
Energy: 0.7135808976499965
Energy: 0.6741078503715053
Energy: 0.6743283596606291
Energy: 0.6118384765910021
Energy: 0.6743283596606291
Energy: 0.6738413982816903
Energy: 0.6836288120895707
Energy: 0.6116629873984036
Energy: 0.6836288120894461
Energy: 0.5832920864839779
Energy: 0.5938004370165224
Energy: 0.5934905247856614
Energy: 0.5938004370162658
Energy: 0.6844507656818193
Energy: 0.5839115652544169
Energy: 0.5938109946607892
Energy: 0.5839115652542263
Energy: 0.6845174983435056
Energy: 0.6852109440589217
Energy: 0.6690603111560496
Energy: 0.6852109440591784
Energy: 0.6857962159895068
Energy: 0.6730965784621654
Energy: 0.6641111960332445
Energy: 0.6730965784624221
Energy: 0.6117797157728592
Energy: 0.6506197067334191
Energy: 0.5940748531865422
Energy: 0.6506197067332872
Energy: 0.6397043103003772
Energy: 0.6504311226826608
Energy: 0.5941482664110364
Energy: 0.6504311226820815
Energy: 0.654791947267879
Energy: 0.7353872873446785
Energy: 0.6277835146627887
Energy: 0.7353872873448105
Energy: 0.6548448925258199
Energy: 0.6912991312940305
Energy: 0.627333282719731
Energy: 0.6912991312938398
Energy: 0.6429177568782823
Energy: 0.6441775499861179
Energy: 0.6117970935425538
Energy: 0.6441775499855386
Energy: 0.6395112130718158
Energy: 0.6437466266668179
Energy: 0.6118049452543789
Energy: 0.6437466266664954
Energy: 0.6122230099216509
Energy: 0.6465765880290734
Energy: 0.6465002944471464
Energy: 0.6465765880290734

minimum gb energy = 0.5832920864839779 eV
minimum distance =  3.14012036101549 Angstroms
sigma value = 25


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

Energy: 0.7530167745221282
Energy: 0.6281782670449726
Energy: 0.694315834333647
Energy: 0.6942500460258495
Energy: 0.6894064205229824
Energy: 0.6714573624516197
Energy: 0.6947377076996718
Energy: 0.6714573624517012
Energy: 0.6880843445170866
Energy: 0.6880304447405655
Energy: 0.6945240941776005
Energy: 0.6880304447400123
Energy: 0.6880819416750287
Energy: 0.6716387770324967
Energy: 0.6391701146261978
Energy: 0.6716387770323426
Energy: 0.6368218319098922
Energy: 0.6390658858815628
Energy: 0.63912063270375
Energy: 0.6390658858812364
Energy: 0.6234719908032775
Energy: 0.7216178920226358
Energy: 0.6382527114517986
Energy: 0.7216178920227174
Energy: 0.620755748414147
Energy: 0.6386943217066948
Energy: 0.6390659344198385
Energy: 0.63869432170606
Energy: 0.6209205463536964
Energy: 0.671934930129074
Energy: 0.6391153255313752
Energy: 0.6719349301293097
Energy: 0.6879454734604449
Energy: 0.6879164786998052
Energy: 0.7502076287740652
Energy: 0.6879164786996419
Energy: 0.6946876811009187
Energy: 0.6239823196978176
Energy: 0.748930127291308
Energy: 0.623982319697736
Energy: 0.6943193130126187
Energy: 0.6881599452392247
Energy: 0.6945160607391576
Energy: 0.6881599452393062
Energy: 0.68722912999623
Energy: 0.6904589775768558
Energy: 0.6883230498277466
Energy: 0.690458977577418
Energy: 0.6385229794461269
Energy: 0.7222198950279102
Energy: 0.6368493243569385
Energy: 0.7222198950283092
Energy: 0.6391841059920967
Energy: 0.6394943759324736
Energy: 0.624234054339665
Energy: 0.6394943759325552
Energy: 0.6389517868383756
Energy: 0.6916649868867798
Energy: 0.6208098689645604
Energy: 0.6916649868878135
Energy: 0.6387781769701079
Energy: 0.6387658797291459
Energy: 0.6208761184157185
Energy: 0.6387658797292276
Energy: 0.7489275511141393
Energy: 0.6876517396368673
Energy: 0.687150756938645
Energy: 0.6876517396367857

minimum gb energy = 0.620755748414147 eV
minimum distance =  3.16444463791527 Angstroms
sigma value = 17


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

Energy: 1.004703247889588
Energy: 0.7099194889776272
Energy: 0.7570314609339482
Energy: 0.7570706777008769
Energy: 0.6376680797142406
Energy: 0.6507260092437814
Energy: 0.7178818119859525
Energy: 0.6507260092433296
Energy: 0.6720120348267179
Energy: 0.6718990608722567
Energy: 0.7550263303486106
Energy: 0.6718990608722567
Energy: 0.6720173481513523
Energy: 0.6775761547934591
Energy: 0.6707584775612832
Energy: 0.6775761551954872
Energy: 0.6721481637000059
Energy: 0.7053837157382122
Energy: 0.638340595566823
Energy: 0.705383715739568
Energy: 0.6712558700277288
Energy: 0.6765607901073918
Energy: 0.6719739075196266
Energy: 0.6765607901060359
Energy: 0.7022026049760506
Energy: 0.6709946652363713
Energy: 0.6711270670613182
Energy: 0.6709946652363713
Energy: 0.7909676806205822
Energy: 0.6708600425247727
Energy: 0.6507069874632377
Energy: 0.6708600425252246
Energy: 0.7558524394759951
Energy: 0.7480103792117689
Energy: 0.7581412953507521
Energy: 0.7480103792122208
Energy: 0.7480162054830158
Energy: 0.7033283158897291
Energy: 0.7170534534708362
Energy: 0.703328315890181
Energy: 0.6707008135411967
Energy: 0.6506703508928156
Energy: 0.6495769270382562
Energy: 0.6506703508914597
Energy: 0.7484525952684403
Energy: 0.6507782415039249
Energy: 0.6510416287153707
Energy: 0.6507782415039249
Energy: 0.7025898074902662
Energy: 0.6506465684828205
Energy: 0.6512680242457514
Energy: 0.6506465684832724
Energy: 0.7028164024707935
Energy: 0.6507028979375634
Energy: 0.6502550397897301
Energy: 0.6507028979371114
Energy: 0.7479702485981268
Energy: 0.7475629545852832
Energy: 0.7918716779465217
Energy: 0.7475629545852832
Energy: 0.7550897510775958
Energy: 0.7475779670468982
Energy: 0.8058495202472942
Energy: 0.7475779670468982
Energy: 0.7479172504620115
Energy: 0.6710144658270526
Energy: 0.6721181611479503
Energy: 0.6710144658270526
Energy: 0.7477487686150072
Energy: 0.6710000883217951
Energy: 0.6702883235779288
Energy: 0.6710000883217951
Energy: 0.6715660264873574
Energy: 0.7056131580417977
Energy: 0.6720618695454201
Energy: 0.7056131580422498
Energy: 0.6395508377671602
Energy: 0.6780531832447018
Energy: 0.6722773920228411
Energy: 0.6780531832447018
Energy: 0.6713837510141379
Energy: 0.6716801953548232
Energy: 0.7911805787432199
Energy: 0.6716801953548232
Energy: 0.6719539139985204
Energy: 0.6713334008078768
Energy: 0.7022410715369094
Energy: 0.6713334008092326
Energy: 0.7171145442281104
Energy: 0.6794067595679159
Energy: 0.7171141408544306
Energy: 0.6794067595688196
Energy: 0.7483974910002512
Energy: 0.7481374680454685
Energy: 0.748157161160168
Energy: 0.7481374680450165
Energy: 0.6506149329976982
Energy: 0.6505945201637864
Energy: 0.7481586933303165
Energy: 0.6505945201642384
Energy: 0.6508399836969173
Energy: 0.6507899151292791
Energy: 0.6706436829476025
Energy: 0.6507899151292791
Energy: 0.6494235004175826
Energy: 0.6509316867889328
Energy: 0.7033404163057319
Energy: 0.6509316867889328
Energy: 0.6509880299914496
Energy: 0.650825336766301
Energy: 0.7025072481017133
Energy: 0.650825336766753
Energy: 0.6506582647187663
Energy: 0.6508225732976877
Energy: 0.7025394587430644
Energy: 0.6508225732972357
Energy: 0.7923779601675901
Energy: 0.7484350134824038
Energy: 0.7481183991989028
Energy: 0.7484350134824038

minimum gb energy = 0.6376680797142406 eV
minimum distance =  3.15711937873477 Angstroms
sigma value = 53


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

Energy: 0.9241250594053483
Energy: 0.6303340166230748
Energy: 0.7160710381465654
Energy: 0.7137272812701934
Energy: 0.7957980170275719
Energy: 0.667163194437817
Energy: 0.7138684063501178
Energy: 0.6671631944374978
Energy: 0.7134711192389581
Energy: 0.7136723324877667
Energy: 0.7201624972485863
Energy: 0.71367233248902
Energy: 0.7135035524160991
Energy: 0.6676013700980892
Energy: 0.7125419942700114
Energy: 0.6676013700981955
Energy: 0.723254484485427
Energy: 0.6670534238832184
Energy: 0.6230808716430573
Energy: 0.6670534238836324
Energy: 0.7127008653539519
Energy: 0.6682631120484093
Energy: 0.6242148166413344
Energy: 0.6682631120484093
Energy: 0.7957677731092325
Energy: 0.7134827566001163
Energy: 0.7137270692621785
Energy: 0.7134827566002228
Energy: 0.7957100339422583
Energy: 0.7128349477880975
Energy: 0.7120085163456676
Energy: 0.7128349477884168
Energy: 0.7133435601540995
Energy: 0.7143122089719639
Energy: 0.7201394123064498
Energy: 0.7143122089720585
Energy: 0.7126283604837343
Energy: 0.713416342714763
Energy: 0.7135753840744955
Energy: 0.7134163427144556
Energy: 0.723072581186411
Energy: 0.6694738578520445
Energy: 0.625025617897094
Energy: 0.6694738578516307
Energy: 0.7133443735937051
Energy: 0.6668366175227739
Energy: 0.6225968605018245
Energy: 0.6668366175226674
Energy: 0.7957562540637522
Energy: 0.7128450428585931
Energy: 0.7121439906020438
Energy: 0.7128450428582856

minimum gb energy = 0.6225968605018245 eV
minimum distance =  3.16701177832345 Angstroms
sigma value = 9


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

Energy: 0.8903377403304232
Energy: 0.728591822070463
Energy: 0.7958683919801084
Energy: 0.7704409214759046
Energy: 0.6951973185791392
Energy: 0.6639015147852187
Energy: 0.7786578499351176
Energy: 0.6639015147875293
Energy: 0.6661807032514804
Energy: 0.6666856904260929
Energy: 0.7695817980579318
Energy: 0.6666856904264781
Energy: 0.6661175946602879
Energy: 0.6652118080483028
Energy: 0.8187539027502193
Energy: 0.6652118080490731
Energy: 0.6635014301442974
Energy: 0.6638765658366143
Energy: 0.8177510609053315
Energy: 0.6638765658369993
Energy: 0.6633747819287349
Energy: 0.6637913817802414
Energy: 0.8177034575668878
Energy: 0.6637913817852473
Energy: 0.7789928127432684
Energy: 0.7700467346505474
Energy: 0.7789756004240138
Energy: 0.7700467346505474
Energy: 0.7790736353063771
Energy: 0.7695392212464728
Energy: 0.770126300054308
Energy: 0.7695392212457026
Energy: 0.6911255450443686
Energy: 0.7248418556889069
Energy: 0.7007621050187669
Energy: 0.7248418556896771
Energy: 0.6665364914392284
Energy: 0.7009546191980438
Energy: 0.7699472172993279
Energy: 0.700954619199584
Energy: 0.6902200177667435
Energy: 0.6901965997853051
Energy: 0.7453470733363164
Energy: 0.6901965997849201
Energy: 0.7000760821944831
Energy: 0.6913938226932579
Energy: 0.8181157821234409
Energy: 0.6913938226932579
Energy: 0.7788026292496494
Energy: 0.6901353306279178
Energy: 0.7007660643103019
Energy: 0.6901353306271476
Energy: 0.7798093344400702
Energy: 0.6908511613054557
Energy: 0.6911706747078042
Energy: 0.6908511613054557
Energy: 0.7695134758526333
Energy: 0.7017201019885034
Energy: 0.6929920208724322
Energy: 0.7017201019896587
Energy: 0.7206068582501824
Energy: 0.7284596499970283
Energy: 0.6995637171558059
Energy: 0.7284596499958732
Energy: 0.7696771875007441
Energy: 0.726683676600456
Energy: 0.6913037656163692
Energy: 0.7266836766008411
Energy: 0.769949167830374
Energy: 0.7709335070665593
Energy: 0.8194197696337862
Energy: 0.7709335070673293
Energy: 0.7784589235744104
Energy: 0.6639477718657772
Energy: 0.6958376831254225
Energy: 0.6639477718657772
Energy: 0.7693905219773154
Energy: 0.6668549937355945
Energy: 0.6652320744295196
Energy: 0.6668549937355945
Energy: 0.8192224464813224
Energy: 0.6645112163944132
Energy: 0.6642644377770973
Energy: 0.6645112163944132
Energy: 0.8177691814106752
Energy: 0.6635667020643726
Energy: 0.6639037930876573
Energy: 0.6635667020639877
Energy: 0.8176999240134506
Energy: 0.6641026476549868
Energy: 0.6632949199786932
Energy: 0.6641026476546018
Energy: 0.7795612362062346
Energy: 0.7696695429972664
Energy: 0.7789900685517446
Energy: 0.7696695429976514
Energy: 0.7703957999000248
Energy: 0.7694511494433791
Energy: 0.7788753455855596
Energy: 0.7694511494437641
Energy: 0.7001386728471065
Energy: 0.727852886004318
Energy: 0.6904988664820173
Energy: 0.7278528860047031
Energy: 0.7700765683456865
Energy: 0.721009038486936
Energy: 0.6663086503612695
Energy: 0.7210090384865511
Energy: 0.7448286504419407
Energy: 0.6905185616693265
Energy: 0.6906349632135634
Energy: 0.6905185616697115
Energy: 0.8182503385658975
Energy: 0.697635247310261
Energy: 0.6994863046050472
Energy: 0.6976352473094909
Energy: 0.7005944145049746
Energy: 0.6903011673549391
Energy: 0.7785966962366349
Energy: 0.6903011673553241
Energy: 0.6915086090369553
Energy: 0.6913028492750563
Energy: 0.7696263456216107
Energy: 0.691302849274286
Energy: 0.6924515231229359
Energy: 0.6908765201757587
Energy: 0.7698039152535455
Energy: 0.6908765201757587
Energy: 0.6997436277078212
Energy: 0.7283781370228694
Energy: 0.7207205520580797
Energy: 0.7283781370224843
Energy: 0.6906702891118973
Energy: 0.7280236098276913
Energy: 0.7203256022681264
Energy: 0.7280236098280763
Energy: 0.8193081036420771
Energy: 0.7705496858679086
Energy: 0.7698038938799546
Energy: 0.7705496858682936

minimum gb energy = 0.6632949199786932 eV
minimum distance =  3.11317670027437 Angstroms
sigma value = 73


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

Energy: 0.9667587328460017
Energy: 0.7051517205338975
Energy: 0.7402764448885316
Energy: 0.7393658962627078
Energy: 0.7034285355881256
Energy: 0.6751952570344415
Energy: 0.7460091310343804
Energy: 0.6751952570340112
Energy: 0.6786538703591084
Energy: 0.6789476585348867
Energy: 0.7649408268735176
Energy: 0.6789476585345812
Energy: 0.6770514977462502
Energy: 0.6770727349647628
Energy: 0.8096585837195855
Energy: 0.6770727349651309
Energy: 0.6787437380094007
Energy: 0.6780547521156043
Energy: 0.8143152966429266
Energy: 0.6780547521153613
Energy: 0.7186396274228407
Energy: 0.6781693048493097
Energy: 0.7826661346623925
Energy: 0.6781693048493652
Energy: 0.751671280281599
Energy: 0.7651771128523248
Energy: 0.77533874943043
Energy: 0.7651771128529358
Energy: 0.7170123157868048
Energy: 0.7637560451237199
Energy: 0.7637435392324601
Energy: 0.7637560451244557
Energy: 0.7035572574164275
Energy: 0.763822047704196
Energy: 0.76420178160996
Energy: 0.7638220477045641
Energy: 0.6934157163620573
Energy: 0.7109574605731961
Energy: 0.7641128419892732
Energy: 0.7109574605733142
Energy: 0.704253842694688
Energy: 0.6616875884558516
Energy: 0.7641276365745283
Energy: 0.6616875884559696
Energy: 0.706101619082952
Energy: 0.6625843181735994
Energy: 0.8036025119603362
Energy: 0.662584318173905
Energy: 0.7647442352385192
Energy: 0.7114019825777409
Energy: 0.6992665598767863
Energy: 0.7114019825773175
Energy: 0.7646960186365159
Energy: 0.6997833800050208
Energy: 0.6993082561053314
Energy: 0.6997833800050833
Energy: 0.7773537520114554
Energy: 0.7000789742637277
Energy: 0.6999232939786608
Energy: 0.7000789742643387
Energy: 0.7768961324235807
Energy: 0.7012084594437764
Energy: 0.7001165528652583
Energy: 0.7012084594445123
Energy: 0.8146575828297611
Energy: 0.699338721081997
Energy: 0.699482773435812
Energy: 0.699338721081997
Energy: 0.7487241289978425
Energy: 0.7479555782279868
Energy: 0.8024043300737375
Energy: 0.7479555782279244
Energy: 0.7432003566023505
Energy: 0.7434485652255788
Energy: 0.7172823339436596
Energy: 0.7434485652256968
Energy: 0.7433663583935695
Energy: 0.724279797113827
Energy: 0.7397481334311913
Energy: 0.7242797971142574
Energy: 0.7430209319900093
Energy: 0.729499167864115
Energy: 0.7054220974560662
Energy: 0.7294991678637469
Energy: 0.8161698029859045
Energy: 0.7389983991942614
Energy: 0.7392829853609367
Energy: 0.7389983991943239

minimum gb energy = 0.6616875884558516 eV
minimum distance =  3.09558178429889 Angstroms
sigma value = 7


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

Energy: 0.8181580547753816
Energy: 0.7124000917538887
Energy: 0.7839537187649466
Energy: 0.7356380022451757
Energy: 0.7028348301029089
Energy: 0.7366197313340413
Energy: 0.7416204581853031
Energy: 0.7366197313331773
Energy: 0.6788041810526506
Energy: 0.6794461821694513
Energy: 0.7592024665647695
Energy: 0.6794461821681553
Energy: 0.6814409563167352
Energy: 0.6815042587090099
Energy: 0.8075780033668342
Energy: 0.6815042587085779
Energy: 0.6784312834354744
Energy: 0.6776715904738149
Energy: 0.7611852207335161
Energy: 0.6776715904733829
Energy: 0.7059561428520962
Energy: 0.6775342674437368
Energy: 0.7603995981013162
Energy: 0.6775342674424408
Energy: 0.7083748553703103
Energy: 0.6792652145290637
Energy: 0.683215993863754
Energy: 0.6792652145290637
Energy: 0.7074444421737575
Energy: 0.6770310997314979
Energy: 0.6771594765527645
Energy: 0.6770310997306339
Energy: 0.8005498071576505
Energy: 0.6828452358005259
Energy: 0.68277571932667
Energy: 0.6828452358005259
Energy: 0.7844086883078705
Energy: 0.8026028065811899
Energy: 0.6782425571937336
Energy: 0.8026028065811899
Energy: 0.8003985622035394
Energy: 0.7561760089957034
Energy: 0.712341387025899
Energy: 0.7561760089948395
Energy: 0.7567880649701172
Energy: 0.7583458273824034
Energy: 0.7502177113782825
Energy: 0.7583458273824034
Energy: 0.7568695011543443
Energy: 0.7562173283053663
Energy: 0.711476058847978
Energy: 0.7562173283053663
Energy: 0.7569566832033676
Energy: 0.74296976781348
Energy: 0.7054554049229392
Energy: 0.742969767813912
Energy: 0.7572363821841328
Energy: 0.6795550656894453
Energy: 0.7050699795847609
Energy: 0.6795550656894453
Energy: 0.7714383941342775
Energy: 0.6802701443126262
Energy: 0.7198060841369351
Energy: 0.6802701443121943
Energy: 0.7298318453132652
Energy: 0.6774648614141786
Energy: 0.7236286819319442
Energy: 0.6774648614141786
Energy: 0.6981722127602873
Energy: 0.710780557582192
Energy: 0.7790849746966501
Energy: 0.710780557582192
Energy: 0.7023366907663072
Energy: 0.7029246921758187
Energy: 0.7573781141220695
Energy: 0.7029246921762508
Energy: 0.6973599177644296
Energy: 0.6972501494455128
Energy: 0.756484695395736
Energy: 0.6972501494455128
Energy: 0.7409483818718391
Energy: 0.6985805344594586
Energy: 0.7637962563050922
Energy: 0.6985805344585946
Energy: 0.7508392900981117
Energy: 0.6793715277265655
Energy: 0.6820236259580604
Energy: 0.6793715277278615
Energy: 0.7513927950609693
Energy: 0.679257792818933
Energy: 0.6799157959062263
Energy: 0.679257792818933
Energy: 0.7939896855994301
Energy: 0.6823479039954664
Energy: 0.6822446583003213
Energy: 0.6823479039950344
Energy: 0.7844524680683128
Energy: 0.6809957467586377
Energy: 0.6799941858804254
Energy: 0.6809957467590697
Energy: 0.8028915389663764
Energy: 0.7664683045263236
Energy: 0.6806236300043876
Energy: 0.7664683045181253
Energy: 0.7368379436174118
Energy: 0.7374254758333824
Energy: 1.0585815899731081
Energy: 0.7374254758338143
Energy: 0.7370259674236617
Energy: 0.737554549557741
Energy: 0.7355425138857332
Energy: 0.737554549558173
Energy: 0.7453630243017664
Energy: 0.7206095276554283
Energy: 0.7361154265944834
Energy: 0.7206095276567243
Energy: 0.7363901814671223
Energy: 0.7689765420038502
Energy: 0.7055048388588793
Energy: 0.7689765420034183
Energy: 0.7901686552964365
Energy: 0.7356485696981083
Energy: 0.7370610350001161
Energy: 0.7356485696989723

minimum gb energy = 0.6770310997306339 eV
minimum distance =  3.09017614892739 Angstroms
sigma value = 29


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

Energy: 0.649959337512357
Energy: 0.6504932248678483
Energy: 0.6647376777999922
Energy: 0.7048164817621859
Energy: 0.6605845890152314
Energy: 0.7101067312378263
Energy: 0.6603439470645156
Energy: 0.7101067312379769
Energy: 0.6615813865872539
Energy: 0.7011945532757341
Energy: 0.651939771078142
Energy: 0.7011945532758762
Energy: 0.6559644780505997
Energy: 0.6610095093521012
Energy: 0.6623643843813859
Energy: 0.6610095093519592
Energy: 0.6618566015826156
Energy: 0.6620216197135167
Energy: 0.6537101065779558
Energy: 0.6620216197133745
Energy: 0.6623204456586531
Energy: 0.7064696531484542
Energy: 0.6547086954439068
Energy: 0.7064696531490394
Energy: 0.6515099375632503
Energy: 0.7012438224957965
Energy: 0.6617584697504311
Energy: 0.7012438224953534
Energy: 0.6602228060240252
Energy: 0.6616535186464609
Energy: 0.659865397638672
Energy: 0.6616535186467537
Energy: 0.6609430986572613
Energy: 0.6611011654472639
Energy: 0.6608262638709931
Energy: 0.6611011654475566

minimum gb energy = 0.649959337512357 eV
minimum distance =  3.13321043467215 Angstroms
sigma value = 5


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

Energy: 0.9781302792294776
Energy: 0.616458601656042
Energy: 0.7349448485269726
Energy: 0.6261160523016703
Energy: 0.6821367501709027
Energy: 0.6278285554488939
Energy: 0.7355661161919514
Energy: 0.6278285554497101
Energy: 0.7358392346146775
Energy: 0.6738198607914722
Energy: 0.7387513402645856
Energy: 0.6738198607906559
Energy: 0.6957853490171578
Energy: 0.6731417314246128
Energy: 0.730420439755898
Energy: 0.6731417314246128
Energy: 0.6798102198175388
Energy: 0.6253530215559067
Energy: 0.6937145234948581
Energy: 0.6253530215550904
Energy: 0.6263611566737076
Energy: 0.6256590042372143
Energy: 0.6939990471127236
Energy: 0.6256590042384386
Energy: 0.6252947135621999
Energy: 0.6249375856900675
Energy: 0.7309455001665566
Energy: 0.6249375856904755
Energy: 0.6290647079138746
Energy: 0.6285959406343784
Energy: 0.7755896827576733
Energy: 0.6285959406347864
Energy: 0.7214152145213788
Energy: 0.647885711337097
Energy: 0.7745621318883826
Energy: 0.6478857113326082
Energy: 0.7875637442870815
Energy: 0.6183307042769374
Energy: 0.6198638221659867
Energy: 0.6183307042765294
Energy: 0.7205460460706544
Energy: 0.6165319159253163
Energy: 0.6171446590044435
Energy: 0.6165319159261325
Energy: 0.7737424799332284
Energy: 0.6162915501734317
Energy: 0.6167286988169628
Energy: 0.6162915501709832
Energy: 0.7891648909024053
Energy: 0.6165455620831666
Energy: 0.622969063249852
Energy: 0.6165455620811261
Energy: 0.7202241082643923
Energy: 0.6118886928742143
Energy: 0.7881950690493479
Energy: 0.611888692872174
Energy: 0.6730828127057026
Energy: 0.609939652730396
Energy: 0.7736464192127572
Energy: 0.6099396527291717
Energy: 0.6657598727700613
Energy: 0.6103949926454841
Energy: 0.6357722653262401
Energy: 0.6103949926467084
Energy: 0.6678922894585952
Energy: 0.6096335269379515
Energy: 0.6349857139179872
Energy: 0.6096335269387677
Energy: 0.76730474244436
Energy: 0.6119556341148242
Energy: 0.6364871088431627
Energy: 0.6119556341152323
Energy: 0.7677001356227138
Energy: 0.6589201147403267
Energy: 0.6519078059462458
Energy: 0.6589201147395105
Energy: 0.7680217135675704
Energy: 0.7142621682173113
Energy: 0.6956857657846487
Energy: 0.7142621682177194
Energy: 0.6882843535415767
Energy: 0.629630319118257
Energy: 0.6368589944853145
Energy: 0.6296303191186651
Energy: 0.6965570574807497
Energy: 0.6289219987225256
Energy: 0.6294882675235778
Energy: 0.6289219987253822
Energy: 0.8115086916599997
Energy: 0.6290239931946505
Energy: 0.6300417381192991
Energy: 0.6290239931950586
Energy: 0.7747774268324387
Energy: 0.6311402358836354
Energy: 0.632693257074394
Energy: 0.6311402358836354
Energy: 0.7746942604431696
Energy: 0.7009739627887873
Energy: 0.6394421154530828
Energy: 0.7009739627879711
Energy: 0.6134158404135673
Energy: 0.6530636791752086
Energy: 0.7876290352789997
Energy: 0.6530636791760248
Energy: 0.6137660030258607
Energy: 0.613486463733661
Energy: 0.6408353328280378
Energy: 0.6134864637344771
Energy: 0.613227831011201
Energy: 0.6127804393093333
Energy: 0.6800634964868715
Energy: 0.612780439307701
Energy: 0.6689200711919255
Energy: 0.6134013910886612
Energy: 0.7889891657272864
Energy: 0.6134013910870474
Energy: 0.7881237432532997
Energy: 0.6455651574688475
Energy: 0.6385215711791918
Energy: 0.6455651574696636
Energy: 0.7923780365799394
Energy: 0.625852718952963
Energy: 0.6277792650420267
Energy: 0.6258527189533711
Energy: 0.7297823965455601
Energy: 0.625602959283447
Energy: 0.6271085234560834
Energy: 0.625602959283447
Energy: 0.6300772268175645
Energy: 0.6246928536293828
Energy: 0.6250610487183049
Energy: 0.6246928536293828

minimum gb energy = 0.6096335269379515 eV
minimum distance =  3.09352046589664 Angstroms
sigma value = 1


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

Energy: 0.8391473302280894
Energy: 0.585480352898962
Energy: 0.598572911431895
Energy: 0.598263988413424
Energy: 0.6743228781824586
Energy: 0.599868119124318
Energy: 0.7513837312039374
Energy: 0.5998681191237538
Energy: 0.6918470417653629
Energy: 0.6602388993271104
Energy: 0.7526617224640434
Energy: 0.6602388993271104
Energy: 0.6892538036757756
Energy: 0.6604878183966078
Energy: 0.7445396105348733
Energy: 0.6604878183954793
Energy: 0.6831335034803465
Energy: 0.6025543907059242
Energy: 0.6822350822256297
Energy: 0.6025543907064884
Energy: 0.6025770662780529
Energy: 0.6026300878824539
Energy: 0.6819368295600149
Energy: 0.6026300878818898
Energy: 0.6025323141823229
Energy: 0.6021935382474816
Energy: 0.7452267170926213
Energy: 0.6021935382480458
Energy: 0.6062236050300561
Energy: 0.6060144781009172
Energy: 0.8074474832499773
Energy: 0.606014478100353
Energy: 0.6066023501993452
Energy: 0.6332058664919573
Energy: 0.8073638581686402
Energy: 0.6332058664919573
Energy: 0.8036936523861672
Energy: 0.5773571186970357
Energy: 0.6520698216638872
Energy: 0.5773571186970357
Energy: 0.6084759582848245
Energy: 0.5768532696670484
Energy: 0.651796571119021
Energy: 0.5768532696670484
Energy: 0.8670182751007597
Energy: 0.5759522143962258
Energy: 0.6513053892332799
Energy: 0.5759522143956616
Energy: 0.8671247939835101
Energy: 0.5767852778932379
Energy: 0.6515900308102454
Energy: 0.5767852778926736
Energy: 0.6065726437585994
Energy: 0.6381271908597682
Energy: 0.7977912519611587
Energy: 0.6381271908592039
Energy: 0.6815163746071417
Energy: 0.6373852000784155
Energy: 0.7976574106772168
Energy: 0.637385200079544
Energy: 0.6799518469453207
Energy: 0.7109113445144518
Energy: 0.745255104792005
Energy: 0.7109113445144518
Energy: 0.6030160959956019
Energy: 0.6029846947599958
Energy: 0.6830287111414157
Energy: 0.60298469476056
Energy: 0.6039945971056557
Energy: 0.6065080785271799
Energy: 0.6752049004148697
Energy: 0.6065080785266157
Energy: 0.6025633655730329
Energy: 0.602282088651793
Energy: 0.8072386486031801
Energy: 0.6022820886523573
Energy: 0.6031625755666545
Energy: 0.6066452061466298
Energy: 0.807316902830622
Energy: 0.606645206147194
Energy: 0.8038765549829651
Energy: 0.5980346725567642
Energy: 0.7444381557522584
Energy: 0.5980346725562
Energy: 0.8038056733142945
Energy: 0.5989870831129904
Energy: 0.5993151703866942
Energy: 0.5989870831118619
Energy: 0.6830241294360678
Energy: 0.5975919194879118
Energy: 0.5978710147908032
Energy: 0.5975919194879118
Energy: 0.8061935027413518
Energy: 0.597579335547465
Energy: 0.5974928232716475
Energy: 0.597579335547465

minimum gb energy = 0.5759522143956616 eV
minimum distance =  3.09388784554621 Angstroms
sigma value = 17


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

Energy: 0.6542443307404293
Energy: 0.5687101176840224
Energy: 0.7043908231661015
Energy: 0.5801036090469186
Energy: 0.5886090120107347
Energy: 0.5807829202333853
Energy: 0.6744086171266064
Energy: 0.5807829202319904
Energy: 0.7562145692770406
Energy: 0.5780169156212107
Energy: 0.6760323619182287
Energy: 0.578016915622257
Energy: 0.7536601139964478
Energy: 0.6103621423494149
Energy: 0.6712711963204898
Energy: 0.610362142350461
Energy: 0.6619237015222085
Energy: 0.5687858803304802
Energy: 0.7606126833367453
Energy: 0.568785880329434
Energy: 0.5692342917124613
Energy: 0.5684222442166312
Energy: 0.7603897203402611
Energy: 0.56842224421698
Energy: 0.5692072029785543
Energy: 0.5683569483822517
Energy: 0.5882426999168596
Energy: 0.5683569483822517
Energy: 0.5695874433141945
Energy: 0.5686317306974837
Energy: 0.6392602691036327
Energy: 0.5686317306978326
Energy: 0.7631721282429805
Energy: 0.5682247806595808
Energy: 0.756891519090271
Energy: 0.5682247806595808
Energy: 0.6776648155177677
Energy: 0.611616618669962
Energy: 0.6719413704048185
Energy: 0.6116166186640333
Energy: 0.7620961894052635
Energy: 0.5779131964703926
Energy: 0.5865333767220225
Energy: 0.5779131964707412
Energy: 0.7601622862586972
Energy: 0.578138776945701
Energy: 0.6717681523166823
Energy: 0.578138776945701
Energy: 0.7602267726868475
Energy: 0.5776262290351314
Energy: 0.5781059612874248
Energy: 0.5776262290365264
Energy: 0.6778985007759113
Energy: 0.5783787603917048
Energy: 0.5793550817119589
Energy: 0.578378760391356
Energy: 0.7548429153619869
Energy: 0.5797849476723343
Energy: 0.5811157960219806
Energy: 0.5797849476716368
Energy: 0.7658454384313284
Energy: 0.5783875174885639
Energy: 0.5793668503376277
Energy: 0.5783875174906564
Energy: 0.5783691615860855
Energy: 0.5812962284619487
Energy: 0.6973786547852362
Energy: 0.5812962284629949
Energy: 0.5781715346277333
Energy: 0.5778246212918048
Energy: 0.7637054659748558
Energy: 0.5778246212911073
Energy: 0.5791651156588161
Energy: 0.5811765422309877
Energy: 0.6733872129755828
Energy: 0.5811765422309877
Energy: 0.5796155963380291
Energy: 0.5780129905188338
Energy: 0.6395421560168159
Energy: 0.5780129905170901
Energy: 0.6751291923424622
Energy: 0.5797103197912352
Energy: 0.578510926635313
Energy: 0.5797103197905377
Energy: 0.6750500404825334
Energy: 0.5800603516719934
Energy: 0.7579070940096229
Energy: 0.5800603516765271
Energy: 0.6714675242759367
Energy: 0.6091136133421843
Energy: 0.7537449288596226
Energy: 0.6091136133418353
Energy: 0.6969876097542139
Energy: 0.5696792216946681
Energy: 0.661905138284116
Energy: 0.569679221695017
Energy: 0.7603449605655355
Energy: 0.5681977751001642
Energy: 0.5687301231303904
Energy: 0.568197775100513
Energy: 0.6718855335503039
Energy: 0.568985091743808
Energy: 0.5701398105719698
Energy: 0.5689850917431103
Energy: 0.6390504044929289
Energy: 0.5683226396685009
Energy: 0.5689231687294061
Energy: 0.5683226396688497
Energy: 0.6732654647392682
Energy: 0.5689702612489854
Energy: 0.7612524058812341
Energy: 0.5689702612486367
Energy: 0.6733853441300721
Energy: 0.6098044967110985
Energy: 0.6770815164356706
Energy: 0.6098044967107497
Energy: 0.5871604153228649
Energy: 0.5779013723392961
Energy: 0.7613698286602751
Energy: 0.5779013723382498
Energy: 0.671534126368101
Energy: 0.577694438538716
Energy: 0.7601267401359679
Energy: 0.5776944385390649
Energy: 0.5779907898262172
Energy: 0.5776727036671425
Energy: 0.7601634558294399
Energy: 0.5776727036667939
Energy: 0.5781403276860108
Energy: 0.5777910778896117
Energy: 0.6784121107012341
Energy: 0.5777910778889143
Energy: 0.5821756605149742
Energy: 0.5809051529111208
Energy: 0.7530552963772215
Energy: 0.5809051529111208
Energy: 0.6806729503384937
Energy: 0.596659999076892
Energy: 0.7658446815316142
Energy: 0.596659999075497
Energy: 0.6971920222738799
Energy: 0.579566403036496
Energy: 0.5784680128194183
Energy: 0.5795664030361474
Energy: 0.7632449377210165
Energy: 0.5777945255231216
Energy: 0.5778423332530271
Energy: 0.5777945255220753
Energy: 0.7563414546709875
Energy: 0.5785188662278278
Energy: 0.5787865313327174
Energy: 0.5785188662278278

minimum gb energy = 0.5681977751001642 eV
minimum distance =  3.10759586830207 Angstroms
sigma value = 89


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

Energy: 1.1293267053556404
Energy: 0.5264765204859552
Energy: 0.5310366502359078
Energy: 0.5300038471713036
Energy: 0.5262459495328208
Energy: 0.581010883741185
Energy: 0.5311420725577504
Energy: 0.5810108837402727
Energy: 0.5262954770253653
Energy: 0.5812554291037471
Energy: 0.539566202339869
Energy: 0.5812554291039336
Energy: 0.526302919626138
Energy: 0.5771722845186953
Energy: 0.5291970804074695
Energy: 0.5771722845186953
Energy: 0.5289792023071518
Energy: 0.5300077280266485
Energy: 0.5367137170494566
Energy: 0.5300077280265554
Energy: 0.5299283720667977
Energy: 0.5290172043208694
Energy: 0.5360935256343583
Energy: 0.5290172043209628
Energy: 0.5291314963240117
Energy: 0.5285140747206227
Energy: 0.529945531685947
Energy: 0.5285140747202496
Energy: 0.5288824689415177
Energy: 0.5296281651757098
Energy: 0.5255356302972293
Energy: 0.5296281651755336
Energy: 0.5303279099870247
Energy: 0.5283809776561097
Energy: 0.5257734468355257
Energy: 0.5283809776563897
Energy: 0.5311568345222913
Energy: 0.5768648121997755
Energy: 0.5305771551889712
Energy: 0.5768648121997755
Energy: 0.5300157756774176
Energy: 0.5760329325282169
Energy: 0.5254553883078953
Energy: 0.5760329325280302
Energy: 0.5267868207391687
Energy: 0.5284938056902877
Energy: 0.5299415427128417
Energy: 0.5284938056898314
Energy: 0.5356287145256236
Energy: 0.529921693615358
Energy: 0.5290137626752859
Energy: 0.5299216936155342
Energy: 0.5295639969153436
Energy: 0.5281451645218588
Energy: 0.5284515744694025
Energy: 0.528145164521952
Energy: 0.525495716646845
Energy: 0.5300218986906315
Energy: 0.5309795655358338
Energy: 0.5300218986905382

minimum gb energy = 0.5254553883078953 eV
minimum distance =  3.13414224433863 Angstroms
sigma value = 13


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

Energy: 0.9867032504057296
Energy: 0.4853334039840915
Energy: 0.6354954729453369
Energy: 0.4887192376154833
Energy: 0.49055752737849667
Energy: 0.48780043008202556
Energy: 0.5931906439835056
Energy: 0.48780043008202556
Energy: 0.49041406109701197
Energy: 0.4874589869613664
Energy: 0.5950213399766795
Energy: 0.48745898695983647
Energy: 0.6927806832887224
Energy: 0.48673037197892
Energy: 0.5942462962343306
Energy: 0.4867303719766252
Energy: 0.5952028730289272
Energy: 0.48800304838881103
Energy: 0.5946796987488192
Energy: 0.48800304838881103
Energy: 0.5949003385541358
Energy: 0.4882058375774776
Energy: 0.5932353021348805
Energy: 0.4882058375770952
Energy: 0.5946709466001006
Energy: 0.48753821678013354
Energy: 0.5932559477062116
Energy: 0.48753821678051595
Energy: 0.5935352650718646
Energy: 0.4872163150268635
Energy: 0.593193747683653
Energy: 0.4872163150260987
Energy: 0.48699036568943094
Energy: 0.48653527052980206
Energy: 0.595738420311135
Energy: 0.4865352705320968
Energy: 0.48707720335786603
Energy: 0.4866539946723331
Energy: 0.5954651324719542
Energy: 0.4866539946715681
Energy: 0.4886742606527854
Energy: 0.4875930813597133
Energy: 0.4916524785456129
Energy: 0.48759308136392043
Energy: 0.5932802864169938
Energy: 0.48632101249062765
Energy: 0.5949842018131616
Energy: 0.4863210124898628
Energy: 0.5949447703531203
Energy: 0.5152608374163272
Energy: 0.592457645388264
Energy: 0.5152608374163272
Energy: 0.5939120307361017
Energy: 0.5151552569178484
Energy: 0.6936582729206645
Energy: 0.5151552569197607
Energy: 0.5935600411518379
Energy: 0.48831307114342576
Energy: 0.5946770240139593
Energy: 0.4883130711441907
Energy: 0.5936815725075951
Energy: 0.4881473687844924
Energy: 0.48902948396467777
Energy: 0.4881473687864047
Energy: 0.592883950438222
Energy: 0.48756357705092157
Energy: 0.4875633094235451
Energy: 0.48756357704977427
Energy: 0.4939117410380183
Energy: 0.487352622610912
Energy: 0.4883022528075182
Energy: 0.4873526226124419
Energy: 0.6925581153339092
Energy: 0.48652257290857437
Energy: 0.5922456400756259
Energy: 0.48652257289977774
Energy: 0.5956694371423111
Energy: 0.48681703189953646
Energy: 0.5961532199584986
Energy: 0.48681703189877157
Energy: 0.7370465455420695
Energy: 0.4874190138214219
Energy: 0.5924802112682762
Energy: 0.4874190138183623
Energy: 0.5955571541037294
Energy: 0.48737072020655403
Energy: 0.5928765285582764
Energy: 0.48737072020770145
Energy: 0.5923400596009442
Energy: 0.48862715698724835
Energy: 0.5952441365206936
Energy: 0.4886271569899256
Energy: 0.4900956358153799
Energy: 0.4867843093405298
Energy: 0.6989034729711178
Energy: 0.4867843093416771
Energy: 0.5921271961910127
Energy: 0.48672496509229013
Energy: 0.5933885626003057
Energy: 0.48672496509420243
Energy: 0.48791359338088613
Energy: 0.48689334624490765
Energy: 0.5937882328078726
Energy: 0.48689334624490765
Energy: 0.4872489219501674
Energy: 0.4868093788568042
Energy: 0.5941842163130644
Energy: 0.4868093788568042
Energy: 0.4872774133594019
Energy: 0.48674984778781244
Energy: 0.4916189154193295
Energy: 0.4867498477885774
Energy: 0.5922028477479053
Energy: 0.4872306029806755
Energy: 0.6929784191054004
Energy: 0.48723060297876325
Energy: 0.59556950353488
Energy: 0.5150944729868655
Energy: 0.5922317415378524
Energy: 0.5150944729857181
Energy: 0.5928823981169379
Energy: 0.5162965929742168
Energy: 0.7370417512983556
Energy: 0.5162965929745993
Energy: 0.5938000386366409
Energy: 0.48787246101527476
Energy: 0.5920504676237887
Energy: 0.4878724610137448
Energy: 0.593446119235712
Energy: 0.48683932538231683
Energy: 0.4867995077885767
Energy: 0.4868393253830817
Energy: 0.6989416081725268
Energy: 0.486874282489883
Energy: 0.4872585984405517
Energy: 0.4868742824891181
Energy: 0.6925688583299977
Energy: 0.4869536384439737
Energy: 0.48730266892498564
Energy: 0.48695363843976663

minimum gb energy = 0.4853334039840915 eV
minimum distance =  3.12928462736798 Angstroms
sigma value = 37


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

Energy: 0.972315142718546
Energy: 0.4460293372427976
Energy: 0.4498695082179893
Energy: 0.450004419290304
Energy: 0.5433439812232405
Energy: 0.45090296289301396
Energy: 0.6269742599291279
Energy: 0.4509029628936047
Energy: 0.7147489337009993
Energy: 0.4498517447307117
Energy: 0.630303554078667
Energy: 0.44985174473136974
Energy: 0.7144686390261602
Energy: 0.5025547395097667
Energy: 0.6264284713575302
Energy: 0.5025547395123988
Energy: 0.6203133441428129
Energy: 0.4438621675387525
Energy: 0.7082473193483249
Energy: 0.4438621675381618
Energy: 0.6243333341238846
Energy: 0.4417685210600532
Energy: 0.5326983502709334
Energy: 0.4417685210607112
Energy: 0.5350290620301154
Energy: 0.4415859171850962
Energy: 0.7923796724131205
Energy: 0.4415859171854925
Energy: 0.5398648172938136
Energy: 0.43963559988194656
Energy: 0.5393413707037668
Energy: 0.43963559988194656
Energy: 0.5343978513769692
Energy: 0.4394536892390312
Energy: 0.7169683027867939
Energy: 0.4394536892385677
Energy: 0.5339217133651128
Energy: 0.43954541303442307
Energy: 0.6196218744059973
Energy: 0.4395454130338324
Energy: 0.5452364733296826
Energy: 0.5449050900427947
Energy: 0.8668618625863275
Energy: 0.544905090043722
Energy: 0.7103738924306818
Energy: 0.4395129086439605
Energy: 0.4392805868343078
Energy: 0.43951290864422227
Energy: 0.7104270568330442
Energy: 0.4392554324645767
Energy: 0.7147696216879675
Energy: 0.43925543246483845
Energy: 0.7104186512794334
Energy: 0.49401690028238027
Energy: 0.7144730462297706
Energy: 0.494016900282642
Energy: 0.7082473193482575
Energy: 0.4938741762223386
Energy: 0.6202303431433682
Energy: 0.4938741762216133
Energy: 0.5326983502640242
Energy: 0.4942169164654999
Energy: 0.44241509255881456
Energy: 0.49421691646602334
Energy: 0.797844486739454
Energy: 0.49351231723018046
Energy: 0.5350763706483849
Energy: 0.4935123172321546
Energy: 0.5393425743575018
Energy: 0.4504664040842479
Energy: 0.45464524099263337
Energy: 0.4504664040845769
Energy: 0.7169683027723252
Energy: 0.44971434627553447
Energy: 0.4501582705312689
Energy: 0.4497143462760579
Energy: 0.7975231938530014
Energy: 0.44982487866569454
Energy: 0.4536014042923825
Energy: 0.4498248786658291

minimum gb energy = 0.4392554324645767 eV
minimum distance =  3.11494777491739 Angstroms
sigma value = 25


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

Energy: 1.0448871791770735
Energy: 0.38624511064070466
Energy: 0.3834882978630411
Energy: 0.3836844659008357
Energy: 0.6760568548330513
Energy: 0.3834344559208332
Energy: 0.5293069499294917
Energy: 0.38343445591826414
Energy: 0.9205528523889948
Energy: 0.3825651499410607
Energy: 0.5312029448482327
Energy: 0.3825651499426022
Energy: 0.6745838135960902
Energy: 0.38415508129937737
Energy: 0.5295364767113423
Energy: 0.38415508129937737
Energy: 0.6798812233387765
Energy: 0.4264685754633496
Energy: 0.7984510117215673
Energy: 0.42646857546283573
Energy: 0.6757796442597683
Energy: 0.4255601326199158
Energy: 0.7997096954329117
Energy: 0.4255601326199158
Energy: 0.6772470354471348
Energy: 0.4264676748244379
Energy: 0.6799805682251382
Energy: 0.4264676748244379
Energy: 0.5291361405439031
Energy: 0.38428901015544903
Energy: 0.7970524856421042
Energy: 0.3842890101549352
Energy: 0.5311591773973123
Energy: 0.3824715764010427
Energy: 0.7984508921175555
Energy: 0.3824715764010427
Energy: 0.5294336011024872
Energy: 0.3832029804583798
Energy: 0.798526028766863
Energy: 0.3832029804583798
Energy: 0.38376553730128254
Energy: 0.3837835531350122
Energy: 0.8779704085943354
Energy: 0.383783553135526
Energy: 0.38242735616181966
Energy: 0.38316986948961557
Energy: 0.7983352999142213
Energy: 0.3831698694891017
Energy: 0.3831501854330732
Energy: 0.3826271350020565
Energy: 0.6751810585238424
Energy: 0.3826271350020565
Energy: 0.38896755302125335
Energy: 0.38247424050296447
Energy: 0.9174556413360719
Energy: 0.3824742405050197
Energy: 0.530909151998726
Energy: 0.3822701686114281
Energy: 0.7991223278748544
Energy: 0.3822701686098866
Energy: 0.5292289515209178
Energy: 0.384185583413948
Energy: 0.9186921094062958
Energy: 0.384185583413948
Energy: 0.6797747973342524
Energy: 0.3828678873652273
Energy: 0.9186119163984735
Energy: 0.3828678873652273
Energy: 0.5309783183295002
Energy: 0.42643248995336996
Energy: 0.6797017716517076
Energy: 0.4264324899538837
Energy: 0.7981982658403552
Energy: 0.42612268400999587
Energy: 0.6767710922217426
Energy: 0.42612268400999587
Energy: 0.6804617943143804
Energy: 0.42554229158965023
Energy: 0.6760919941001268
Energy: 0.42554229159273316
Energy: 0.7971871309076549
Energy: 0.38346110242367937
Energy: 0.5321781506065849
Energy: 0.383461102428806
Energy: 0.7986262413035526
Energy: 0.381931217655477
Energy: 0.38288434777348446
Energy: 0.381931217655477
Energy: 0.7970840131319483
Energy: 0.38276500630149424
Energy: 0.5288448486062182
Energy: 0.38276500630098037
Energy: 0.796945759812677
Energy: 0.3842737360743017
Energy: 0.3826999589781002
Energy: 0.3842737360753294
Energy: 0.7992087195898403
Energy: 0.3822822777927058
Energy: 0.38258519370023064
Energy: 0.3822822777927058
Energy: 0.9174510652769927
Energy: 0.3837981843958412
Energy: 0.3825697946988552
Energy: 0.3837981843958412

minimum gb energy = 0.381931217655477 eV
minimum distance =  3.13816856887042 Angstroms
sigma value = 41


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

Energy: 1.0121311030784481
Energy: 0.34147390936291205
Energy: 0.3423288570681237
Energy: 0.3413827789223809
Energy: 0.798735850865755
Energy: 0.34159026750536864
Energy: 0.46386408979097105
Energy: 0.34159026750536864
Energy: 0.9998794944832946
Energy: 0.3404815109598549
Energy: 0.467165899769503
Energy: 0.3404815109606974
Energy: 0.7975898070146284
Energy: 0.3426059943889187
Energy: 0.592616154863966
Energy: 0.3426059944423886
Energy: 0.8017175959225956
Energy: 0.339800660516908
Energy: 0.6955285704809532
Energy: 0.339800660508483
Energy: 0.8001030578220905
Energy: 0.34097776289500525
Energy: 0.6940236335804338
Energy: 0.34097776290595777
Energy: 0.8018501735660004
Energy: 0.37735895485154636
Energy: 0.801502400394616
Energy: 0.3773589548502922
Energy: 0.6976325847067424
Energy: 0.37660049990168376
Energy: 0.696232831754823
Energy: 0.3766004999058963
Energy: 0.5877233946333569
Energy: 0.34063163996171425
Energy: 0.9003312053168808
Energy: 0.34063163996171425
Energy: 0.5869876335791013
Energy: 0.33990265462298463
Energy: 0.8021460579476071
Energy: 0.3399026546242484
Energy: 0.4684290083516128
Energy: 0.3421981867545086
Energy: 0.8977605375615265
Energy: 0.34219818676250274
Energy: 0.46479450828500884
Energy: 0.33996704841896797
Energy: 0.8994483315844496
Energy: 0.3399670484181255
Energy: 0.4638491665899927
Energy: 0.34070804514218017
Energy: 0.8989932323040158
Energy: 0.34070804514260145
Energy: 0.34141349138136884
Energy: 0.34088436297625196
Energy: 0.897549063570599
Energy: 0.340884362974567
Energy: 0.34133747339785425
Energy: 0.3403934922771395
Energy: 0.8994230674573291
Energy: 0.3403934922775607
Energy: 0.34085881763857506
Energy: 0.34153223730572013
Energy: 1.001116322332967
Energy: 0.34153223730614146
Energy: 0.46706629876209826
Energy: 0.3416239515994685
Energy: 0.9963984879837473
Energy: 0.34162395159651976
Energy: 0.4654800751712919
Energy: 0.34017060072991606
Energy: 0.8014572616511253
Energy: 0.34017060073033734
Energy: 0.4650225436953334
Energy: 0.3409451587373002
Energy: 0.8009191044955492
Energy: 0.3409451587381427
Energy: 0.6940358170416574
Energy: 0.3402793459177005
Energy: 0.7999553430839639
Energy: 0.3402793459156038
Energy: 0.6935501855644319
Energy: 0.34024078138035385
Energy: 0.8020710346661377
Energy: 0.3402407813757201
Energy: 0.6944729290173577
Energy: 0.37677328291109563
Energy: 0.7980439121324265
Energy: 0.37677328291025314
Energy: 0.9004391843993664
Energy: 0.3756709374977211
Energy: 0.7989603904455643
Energy: 0.37567093749729985
Energy: 0.696202105391099
Energy: 0.37708492693781487
Energy: 0.6938598406485487
Energy: 0.37708492693781487
Energy: 0.8994099990607642
Energy: 0.34007491590903655
Energy: 0.5903596576109372
Energy: 0.34007491590903655
Energy: 0.9007684370085202
Energy: 0.34144513757975925
Energy: 0.6931578515665883
Energy: 0.34144513758186557
Energy: 0.897846410703584
Energy: 0.3412299708052806
Energy: 0.4647486164424021
Energy: 0.3412299708057019
Energy: 0.9006196676390777
Energy: 0.34030376199283097
Energy: 0.46556136340476767
Energy: 0.34030376199283097
Energy: 0.8977143691021046
Energy: 0.3413080340101329
Energy: 0.46665431180173594
Energy: 0.3413080340097117
Energy: 0.9006092882686263
Energy: 0.3405408239067867
Energy: 0.34126187641206535
Energy: 0.3405408239063654
Energy: 0.8997741917490353
Energy: 0.3403065773338858
Energy: 0.3401767200967277
Energy: 0.3403065773347283
Energy: 0.9963799308341791
Energy: 0.34081286015743106
Energy: 0.341635928800874
Energy: 0.34081286015617684

minimum gb energy = 0.339800660508483 eV
minimum distance =  3.13679208788088 Angstroms
sigma value = 15


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

Energy: 0.9341824297770642
Energy: 0.3136561374818058
Energy: 0.4866499131054586
Energy: 0.3125108877195611
Energy: 0.9252523473326596
Energy: 0.3107070872602435
Energy: 0.4175882928270767
Energy: 0.3107070872602435
Energy: 1.0124669291678383
Energy: 0.3103529738928836
Energy: 0.4182080189873586
Energy: 0.3103529738946679
Energy: 0.9245233984875529
Energy: 0.3105256541316314
Energy: 0.6178923033550601
Energy: 0.3105256541334156
Energy: 0.8874392141517459
Energy: 0.3092333042052339
Energy: 0.61586823036331
Energy: 0.30923330420487705
Energy: 0.9285196401358565
Energy: 0.3096864050475153
Energy: 0.6139383413952656
Energy: 0.3096864050489428
Energy: 0.752023786469102
Energy: 0.3105532588555388
Energy: 0.7955186272994125
Energy: 0.3105532588580368
Energy: 0.7979813108910426
Energy: 0.3418711014679154
Energy: 0.6620221086820037
Energy: 0.34187110146896976
Energy: 0.7515544832780213
Energy: 0.3400219365792707
Energy: 0.7946631146558626
Energy: 0.3400219366295551
Energy: 0.750677575216624
Energy: 0.3088419997160161
Energy: 0.848455341377899
Energy: 0.3088421423206279
Energy: 0.617875636390712
Energy: 0.30887161229710786
Energy: 0.8379882444994771
Energy: 0.30887161228497473
Energy: 0.5686909598362283
Energy: 0.30871221761547296
Energy: 0.9674893847389026
Energy: 0.3087122176158298
Energy: 0.6143153099778079
Energy: 0.3094068791383714
Energy: 1.011940777466176
Energy: 0.30940687914194
Energy: 0.41258354384944274
Energy: 0.30970036376339277
Energy: 0.8428455116742918
Energy: 0.3097003637616085
Energy: 0.41323023356823774
Energy: 0.3087265277324654
Energy: 0.8830453197330178
Energy: 0.3087265277313948
Energy: 0.41110159120945533
Energy: 0.30894880928420393
Energy: 1.0124605391021368
Energy: 0.3089488092831333
Energy: 0.3644762418735362
Energy: 0.311258788884919
Energy: 1.0147272230908786
Energy: 0.31125878889241304
Energy: 0.36272439942157064
Energy: 0.3076821607347775
Energy: 0.968417269673713
Energy: 0.3076821607358481
Energy: 0.36469804388441535
Energy: 0.3087621326493477
Energy: 0.8854862661546835
Energy: 0.3087621326475634
Energy: 0.4702454790213932
Energy: 0.30759562344621755
Energy: 1.0556454678552403
Energy: 0.30759562344550384
Energy: 0.4734275740231333
Energy: 0.30858978989653746
Energy: 1.051497917000408
Energy: 0.30858978989368263
Energy: 0.4708546097877028
Energy: 0.3094885950994064
Energy: 0.9306487363417613
Energy: 0.309488595100477
Energy: 0.6071958594930768
Energy: 0.30855777902752457
Energy: 0.926581959149922
Energy: 0.30855777902681086
Energy: 0.612539757479478
Energy: 0.3090547416116299
Energy: 0.882458398561361
Energy: 0.309054741613771
Energy: 0.6102490191704741
Energy: 0.30993156907943215
Energy: 0.754420291049041
Energy: 0.30993156979032416
Energy: 0.7969066955130771
Energy: 0.3396084328578692
Energy: 0.8828695410290798
Energy: 0.33960843237989136
Energy: 0.6602787991105881
Energy: 0.33969969505434094
Energy: 0.7934899240529691
Energy: 0.33969969500905256
Energy: 0.7984417429776712
Energy: 0.33982767746284137
Energy: 0.7539190195666708
Energy: 0.3398276774845934
Energy: 0.8412137586383329
Energy: 0.3397863690733993
Energy: 0.7562387360171415
Energy: 0.3397863818178905
Energy: 0.8404895636654716
Energy: 0.3097933766204531
Energy: 0.6135319546652961
Energy: 0.3097933766200962
Energy: 0.8867702497917886
Energy: 0.3092894356313315
Energy: 0.5687211945392712
Energy: 0.3092894356309746
Energy: 0.8428278931855688
Energy: 0.31191013002133905
Energy: 0.5848243642257541
Energy: 0.31191013002133905
Energy: 1.0125863751937052
Energy: 0.31077239253538114
Energy: 0.4181865064289016
Energy: 0.31077239253431055
Energy: 0.9695378638568839
Energy: 0.3102512437644635
Energy: 0.41824268278763976
Energy: 0.3102512437623224
Energy: 1.0082645507703814
Energy: 0.3119917817427026
Energy: 0.31395890486116895
Energy: 0.31199178172380543
Energy: 0.9264129788786507
Energy: 0.3109943936173656
Energy: 0.3103063649239817
Energy: 0.31099439361558134
Energy: 1.011334814054286
Energy: 0.311660554468149
Energy: 0.31075010890042726
Energy: 0.311660554468149

minimum gb energy = 0.30759562344550384 eV
minimum distance =  3.13774480283054 Angstroms
sigma value = 85


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

Energy: 0.9548517590519985
Energy: 0.2769128921320786
Energy: 0.2772058346912674
Energy: 0.27719597594856527
Energy: 0.9398088964567829
Energy: 0.27813608355822966
Energy: 0.37112594304235424
Energy: 0.2781360835579202
Energy: 0.9400523276845231
Energy: 0.2778802839795042
Energy: 0.3715370283163633
Energy: 0.27788028398012327
Energy: 0.7832066588915978
Energy: 0.27738603541818
Energy: 0.5466719418182199
Energy: 0.27738603541972756
Energy: 0.9420407092326869
Energy: 0.276670062711188
Energy: 0.5476366302340091
Energy: 0.276670062711188
Energy: 0.7854486513323724
Energy: 0.2773950926056823
Energy: 0.5466404997643727
Energy: 0.27739509261063433
Energy: 0.7843620183601553
Energy: 0.2782287413388214
Energy: 0.7069419620704135
Energy: 0.2782287414090434
Energy: 0.8633100640356487
Energy: 0.2767654421366781
Energy: 0.5447874895186857
Energy: 0.27676544222732724
Energy: 0.7854906016848263
Energy: 0.27706388965920553
Energy: 0.706702303820433
Energy: 0.2770638846657347
Energy: 0.7855096242384694
Energy: 0.3294313711609272
Energy: 0.862608350430011
Energy: 0.3294313711581417
Energy: 0.7069380844655303
Energy: 0.3292028391228855
Energy: 0.7057341012602562
Energy: 0.3292028391235045
Energy: 0.6265506587661073
Energy: 0.2770465442947685
Energy: 0.8627065096939048
Energy: 0.2770465443909817
Energy: 0.7067947782605072
Energy: 0.27690225797496154
Energy: 0.8630032167975178
Energy: 0.27690225805415913
Energy: 0.5464909801721943
Energy: 0.27784253014944454
Energy: 0.7044491496519081
Energy: 0.27784253015284205
Energy: 0.46527604129661626
Energy: 0.276773876866241
Energy: 1.0135373522003952
Energy: 0.276773876867479
Energy: 0.5478588605378434
Energy: 0.27910281068125903
Energy: 0.8615845253247835
Energy: 0.27910281068156856
Energy: 0.371101766067111
Energy: 0.2794759175567778
Energy: 0.8615940662819747
Energy: 0.27947591755646833
Energy: 0.3724035645858341
Energy: 0.2769178504914589
Energy: 0.9415864036794074
Energy: 0.2769178504914589
Energy: 0.37166693987171145
Energy: 0.27741727313518344
Energy: 1.0116700486529722
Energy: 0.2774172731348739
Energy: 0.2769186965658962
Energy: 0.2789124613813299
Energy: 1.011599516247892
Energy: 0.2789124613807109
Energy: 0.2770380727906176
Energy: 0.2770070747059738
Energy: 0.9419739988719892
Energy: 0.2770070747062834
Energy: 0.27707454203517673
Energy: 0.27797184412819387
Energy: 0.9380890012103559
Energy: 0.2779718441288128
Energy: 0.37260518230220097
Energy: 0.27859506997124867
Energy: 1.0850711415580303
Energy: 0.27859506997124867
Energy: 0.3719348764222814
Energy: 0.27684628692504637
Energy: 1.0136392759697932
Energy: 0.27684628692473684
Energy: 0.37225660404562794
Energy: 0.27688896595946466
Energy: 0.7831278980539437
Energy: 0.2768889659953529
Energy: 0.5464643521933478
Energy: 0.2772950184469561
Energy: 1.0130090493480384
Energy: 0.2772950184475751
Energy: 0.546975412996338
Energy: 0.27675522018680837
Energy: 0.940014983619613
Energy: 0.2767552201852679
Energy: 0.546550999398454
Energy: 0.2782666979462171
Energy: 0.7844806969603976
Energy: 0.27826669794652664
Energy: 0.7068907138431922
Energy: 0.2766748961790787
Energy: 0.9419242687127559
Energy: 0.27667489716348087
Energy: 0.7073762609533228
Energy: 0.276901397980933
Energy: 0.7857909351990876
Energy: 0.27690139825471644
Energy: 0.7890756114738515
Energy: 0.3293062382990644
Energy: 0.6249244155162691
Energy: 0.3293062382993739
Energy: 0.7057939064516864
Energy: 0.32927606746861166
Energy: 0.7891377242631208
Energy: 0.32927606746861166
Energy: 0.8637628726932959
Energy: 0.2770409378372565
Energy: 0.6268238614681134
Energy: 0.27704093783632805
Energy: 0.9416971698181544
Energy: 0.27667211844869244
Energy: 0.6275921360551445
Energy: 0.27667211845920847
Energy: 0.7043195221442131
Energy: 0.27892002800560173
Energy: 0.5464669514653153
Energy: 0.27892002800714927
Energy: 1.0142509002898858
Energy: 0.2767292740776943
Energy: 0.5471397581678136
Energy: 0.27672927407707526
Energy: 1.0125736373213134
Energy: 0.27740997444216403
Energy: 0.5464971862716251
Energy: 0.2774099744415451
Energy: 0.8616923504599233
Energy: 0.27732543781733277
Energy: 0.3716533200342694
Energy: 0.27732543780588115
Energy: 0.9417132888731913
Energy: 0.27672013110158955
Energy: 0.3719519789038608
Energy: 0.27672013110220856
Energy: 1.011664005157905
Energy: 0.27714378544381923
Energy: 0.3732284047326415
Energy: 0.27714378544381923
Energy: 0.860400953340355
Energy: 0.27923892469574196
Energy: 0.27727934343939176
Energy: 0.27923892469574196
Energy: 1.0138161571265607
Energy: 0.2768379748666413
Energy: 0.2770231802395668
Energy: 0.2768379748666413
Energy: 0.938077370805341
Energy: 0.2771529575321483
Energy: 0.2769223472245787
Energy: 0.27715295753183883

minimum gb energy = 0.276670062711188 eV
minimum distance =  3.13624191703998 Angstroms
sigma value = 113


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

Energy: 0.004764030257424621
Energy: 0.005113213447792766
Energy: 0.8289224484177203
Energy: 0.2491453907350042
Energy: 0.005110463544478591
Energy: 0.06153136011106902
Energy: 0.63396971309078
Energy: 0.06153136011106902
Energy: 0.005042257888554226
Energy: 0.06185491275980313
Energy: 0.6334492126994553
Energy: 0.06185491275980313
Energy: 0.005521807943253435
Energy: 0.06271682227088897
Energy: 0.6340231524654137
Energy: 0.06271682227088897
Energy: 0.6338487853842295
Energy: 0.06209550546357805
Energy: 0.6338736484501307
Energy: 0.06209550546357805
Energy: 0.005023237593867592
Energy: 0.06179647159697048
Energy: 0.6330956665438765
Energy: 0.06179647159673255

minimum gb energy = 0.004764030257424621 eV
minimum distance =  3.43989496151749 Angstroms
sigma value = 1