Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.017309801939378262
Energy: 0.017779387307104016
Energy: 3.8232405680790427
Energy: 0.017779387307104016
Energy: 0.017779387307104016
Energy: 0.017585005133965333
Energy: 0.17544963724168297
Energy: 0.017585005133965333
Energy: 3.823240487380114
Energy: 0.17544963724246765
Energy: 0.1752891522330202
Energy: 0.17544963724246765
Energy: 0.017779387307104016
Energy: 0.017585005133965333
Energy: 0.17544963724168297
Energy: 0.017585005133965333

minimum gb energy = 0.017309801939378262 eV
minimum distance =  2.71794113433911 Angstroms
sigma value = 1


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

Energy: 1.6493192009110471
Energy: 0.9936023670518482
Energy: 0.7838579241204159
Energy: 0.9936023670740157
Energy: 1.8583805447145592
Energy: 0.9306635656141494
Energy: 0.9159172414594506
Energy: 0.9306635656181798
Energy: 2.1977389478652647
Energy: 0.9141819654619631
Energy: 0.9420282240435037
Energy: 0.9141819654367729
Energy: 1.5155127467182818
Energy: 0.9273535364798619
Energy: 0.9208129085742306
Energy: 0.9273535364919531
Energy: 1.4987322742332272
Energy: 0.9497876797475732
Energy: 1.4572121872305743
Energy: 0.9497876797495883
Energy: 1.8999384584868735
Energy: 0.9336918984099177
Energy: 0.9411487390152212
Energy: 0.933691898411887
Energy: 1.127044130020481
Energy: 1.0410900340912406
Energy: 0.945038544634551
Energy: 1.0410900340327993
Energy: 0.9369200367047722
Energy: 0.9253081033397593
Energy: 1.3584204213848408
Energy: 0.9253081033316986
Energy: 1.2062792812468288
Energy: 0.9078768849175072
Energy: 1.4635228452975069
Energy: 0.9078768848792638
Energy: 1.9363731664615187
Energy: 0.9314976313162154
Energy: 1.2254767913673235
Energy: 0.9314976313162154
Energy: 0.9504632305772801
Energy: 1.0480305814275894
Energy: 1.3317414162811034
Energy: 1.0480307777394402
Energy: 0.6883647855844363
Energy: 0.9534938357156222
Energy: 2.7567909351954727
Energy: 0.9534938357125993
Energy: 1.188359171988485
Energy: 1.0374132783073995
Energy: 1.4467400539397917
Energy: 1.037413278223814
Energy: 0.9322237519249412
Energy: 0.9494632856849189
Energy: 1.4715078272220798
Energy: 0.9494632856818961
Energy: 0.9083987794274059
Energy: 0.8712557910487626
Energy: 1.9159100913194438
Energy: 0.8712562325540344
Energy: 0.9238513087676038
Energy: 0.7164412751170315
Energy: 1.888559108016804
Energy: 0.7502178243967342
Energy: 0.8728466666604525
Energy: 1.0499812448878925
Energy: 1.4691181552248855
Energy: 1.0499812448868846
Energy: 1.2189596353031626
Energy: 1.0944833576093504
Energy: 1.4196169539989276
Energy: 1.0944833576022972
Energy: 0.8611504310300914
Energy: 0.8922028504743736
Energy: 2.1737896097968945
Energy: 0.8922029924710323
Energy: 0.9148586807764174
Energy: 1.0687704978934844
Energy: 1.182110350620317
Energy: 1.0687704979559558
Energy: 1.8434677588844495
Energy: 0.9072274641578949
Energy: 1.244637317276509
Energy: 0.9072274641578949
Energy: 1.193817714881811
Energy: 0.8674326139912513
Energy: 1.4372300730632885
Energy: 0.8674327494101489
Energy: 1.1783610740139285
Energy: 0.9302928768346387
Energy: 1.1944375406687775
Energy: 0.9302928768316159
Energy: 1.4328047694499233
Energy: 1.0453550848443907
Energy: 0.9380634062619462
Energy: 1.0453550848474136
Energy: 1.899889322032401
Energy: 0.931413984335665
Energy: 0.9293777946868883
Energy: 0.9314139843497715
Energy: 1.4319487250474394
Energy: 0.894358315549173
Energy: 1.4651267341144563
Energy: 0.8943583111408392
Energy: 1.5568932732405152
Energy: 0.936223942500671
Energy: 0.9512562298652459
Energy: 0.9362239424070092
Energy: 2.4186961227778117
Energy: 0.930414367415305
Energy: 0.8807615640014899
Energy: 0.9304143674495637
Energy: 1.8844781059520195
Energy: 0.8826962950361449
Energy: 0.6327166209080288
Energy: 0.8826912783786162
Energy: 1.1546341703933731
Energy: 0.9459619155997095
Energy: 0.9098922563366213
Energy: 0.9459619156027325
Energy: 1.890422415611043
Energy: 0.9146896461458928
Energy: 0.9212899016781664
Energy: 0.9146896462667601
Energy: 1.8605833720092677
Energy: 0.9564219062022528
Energy: 0.9154009635426966
Energy: 0.9564219062062832
Energy: 1.4986917540943134
Energy: 0.9056877303896048
Energy: 0.9478904807227347
Energy: 0.9056877334846122

minimum gb energy = 0.6327166209080288 eV
minimum distance =  2.58874552079007 Angstroms
sigma value = 1


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

Energy: 2.0608117593289017
Energy: 1.0496466358969632
Energy: 1.053493804023823
Energy: 1.0496466359669907
Energy: 1.7417310420119099
Energy: 1.0133013992186861
Energy: 1.0495298594830447
Energy: 1.013301399241663
Energy: 1.6986078072802588
Energy: 1.0550864855763362
Energy: 1.0175034667017595
Energy: 1.0550864855717406
Energy: 1.0189296610270124
Energy: 1.1152608914271556
Energy: 0.7003454866565901
Energy: 1.1152608918233002
Energy: 1.0342003895304466
Energy: 1.043610768684463
Energy: 1.7121196912430494
Energy: 1.0436107687016958
Energy: 1.637408563116018
Energy: 0.9037982231634932
Energy: 0.8216167602093686
Energy: 0.9107330430999085
Energy: 1.0349229132312927
Energy: 1.142922223769013
Energy: 0.9820771053928882
Energy: 1.1429222237644179
Energy: 1.0768916238346176
Energy: 1.0044266520097045
Energy: 1.6800905562823927
Energy: 1.0044266527262742
Energy: 1.0073364130541196
Energy: 0.9063938614282812
Energy: 1.734780224511031
Energy: 0.9063942154869267
Energy: 1.040066641545265
Energy: 0.9476469442131196
Energy: 0.9731846977194698
Energy: 0.9476469887388637
Energy: 1.0479524980983888
Energy: 1.0194716214087092
Energy: 1.7251094786642514
Energy: 1.019471621894464
Energy: 1.0526152666756978
Energy: 0.8099126612641832
Energy: 2.762807695582609
Energy: 0.8006558517685823
Energy: 1.0085395544130416
Energy: 1.0905074067853089
Energy: 1.5787035927668573
Energy: 1.0905074014259726
Energy: 1.008539554403851
Energy: 1.099466662908304
Energy: 1.6856884206778584
Energy: 1.0994666629037089
Energy: 0.9884229943725494
Energy: 1.0282932147981354
Energy: 2.8223218541995134
Energy: 1.0282932155755418
Energy: 0.970177596209987
Energy: 1.039481213559611
Energy: 1.6749295456594058
Energy: 1.0394812135607077
Energy: 1.040066641221394
Energy: 1.0155036969671447
Energy: 0.9309512353923157
Energy: 1.0155036967030657
Energy: 0.8343268649957027
Energy: 0.9984649709830058
Energy: 1.7352127435394649
Energy: 0.9984649708647264
Energy: 1.0771147071217284
Energy: 0.9929378396436652
Energy: 1.6800939639509518
Energy: 0.9929378396253358
Energy: 0.9727562602660976
Energy: 0.9795056154471113
Energy: 0.9801592559243778
Energy: 0.9504046025003654
Energy: 1.6908889654236408
Energy: 0.9921871026078096
Energy: 1.0276075741971566
Energy: 0.9921870824969179
Energy: 1.03214815616685
Energy: 0.9850420856536842
Energy: 1.7121196913096306
Energy: 0.9850421135997377
Energy: 0.954236108918234
Energy: 1.1009192456767856
Energy: 0.662990014912442
Energy: 1.100919250867293
Energy: 1.6398595658306312
Energy: 0.972980556818673
Energy: 1.0514962842085787
Energy: 0.9729805588799721
Energy: 1.7824509799392925
Energy: 0.9462027050273459
Energy: 1.0495298570198568
Energy: 0.9462027027719953
Energy: 2.060811759429948
Energy: 1.0496466360783772
Energy: 1.0534861617195073
Energy: 1.0496466361507546
Energy: 1.7417310418213052
Energy: 1.013301399195709
Energy: 1.0495298587469968
Energy: 1.0133013992232813
Energy: 1.698607807200988
Energy: 1.0550864855717406
Energy: 1.0175034667385228
Energy: 1.0550864855717406
Energy: 1.018929661014375
Energy: 1.1152608917968767
Energy: 0.7042886330986393
Energy: 1.115260891817556

minimum gb energy = 0.662990014912442 eV
minimum distance =  2.58857545907795 Angstroms
sigma value = 25


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

Energy: 1.5093299001352147
Energy: 1.402425896952542
Energy: 0.8761719528364963
Energy: 1.4801149150502921
Energy: 1.875245052815716
Energy: 0.8724870147047329
Energy: 0.9093235022006939
Energy: 0.8255610041037431
Energy: 1.9649936113952942
Energy: 0.3284346316321093
Energy: 0.997448651508563
Energy: 0.8154473399837981
Energy: 1.3822020153639338
Energy: 0.7936226990100376
Energy: 0.9665702002468051
Energy: 0.8527722485819473
Energy: 1.374641879786013
Energy: 0.8796632245959851
Energy: 1.3881251101758172
Energy: 0.8643438538510897
Energy: 2.038849946950887
Energy: 0.9606702251561868
Energy: 1.0136706322429496
Energy: 0.6787453361303468
Energy: -0.48049426716725274
Energy: 0.8337351646013687
Energy: 0.8270076913281715
Energy: 0.8337634425007198
Energy: -0.9766488924953388
Energy: 0.723988496275218
Energy: 1.9638970549732198
Energy: 0.8865035759835872
Energy: 0.9444504239571525
Energy: -0.9692832549638315
Energy: 1.339035419649901
Energy: -1.0939551097196236
Energy: 0.7812869215060021
Energy: -1.6626899165378455
Energy: 1.3863401484952673
Energy: -1.7198472599016066
Energy: 0.8306606127639784
Energy: 0.8229106034284771
Energy: 1.9074097981789515
Energy: 0.9230210943436119
Energy: 1.1414679787185282
Energy: 0.5160134150951617
Energy: 1.9800557067219655
Energy: 0.7681276036952256
Energy: 0.9317820039471524
Energy: -1.571347192532736
Energy: 1.4853862865065366
Energy: -1.8173619667797027
Energy: 1.0062663829073857
Energy: 0.8333803772413333
Energy: 1.3772635821122587
Energy: -0.6552029473185305
Energy: 0.9890895721685251
Energy: 0.8713539565984845
Energy: 2.029844197772669
Energy: 0.9220501925711512
Energy: 1.0329243066423461
Energy: 0.8373570729950963
Energy: 0.8281054153059585
Energy: 0.8974323447294503
Energy: 2.3235028959058663
Energy: 0.9781350394111061
Energy: 1.0080348559398595
Energy: 0.9781415680252288
Energy: 1.4615375382973446
Energy: 0.4865332807978707
Energy: 1.3626093275948268
Energy: 0.7246785711447328
Energy: 1.209305175923657
Energy: 0.5511784153419086
Energy: 0.8434440836395186
Energy: 0.9408449061951054
Energy: 1.3483026567865783
Energy: 0.6844340739044282
Energy: 0.9537702236714354
Energy: 0.7172805102409147
Energy: 1.9936433784600969
Energy: 0.4913483341661067
Energy: 0.797962030718725
Energy: 0.23067311472833588
Energy: 1.2563071676635793
Energy: -1.672784655714728
Energy: 1.0196233833736676
Energy: -1.5982087432459786
Energy: 1.9790417973335395
Energy: -1.4567282440203495
Energy: 1.0363473193595436
Energy: -1.5768800273990036
Energy: 2.0042367512656427
Energy: 0.5718180866537667
Energy: 0.9700923294251931
Energy: 0.9113859762792175
Energy: 1.3511002731250399
Energy: 0.855390907539821
Energy: 0.7052841096046955
Energy: 0.9048613869261047

minimum gb energy = -1.8173619667797027 eV
minimum distance =  2.59561760684848 Angstroms
sigma value = 9


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

Energy: -0.3289512847428279
Energy: -0.5247558941534993
Energy: 0.3114376624301345
Energy: -0.394644415154083
Energy: 1.1455766001520402
Energy: -0.4196359142982236
Energy: -0.4855992966986404
Energy: -0.4448456118341873
Energy: -0.4919436444075498
Energy: 1.3536551674231816
Energy: 1.285171154342077
Energy: 1.3140336346200936
Energy: -0.5126403897483166
Energy: -0.5046317864687817
Energy: -0.3949775813433534
Energy: -0.4707761121130559
Energy: -0.38881073600414373
Energy: -0.5454529360210403
Energy: 1.3814863318492192
Energy: -0.4803616773189168
Energy: 1.2744665827975978
Energy: -0.3442943468380821
Energy: -0.45483730104039405
Energy: -0.5339628559231905
Energy: -0.4069424606615822
Energy: -0.5266607230845959
Energy: -0.43979305471060626
Energy: -0.5132418914330346
Energy: 1.2025359575700671
Energy: 1.2972689444360601
Energy: 0.9458191437882859
Energy: 1.297272697765245
Energy: 1.1718463897213374
Energy: -0.4316177671008516
Energy: -0.44159356603673217
Energy: -0.37408320502121356
Energy: 1.3007006684954017
Energy: -0.37831686348744337
Energy: -0.264850329157789
Energy: -0.28810499733877454
Energy: -0.5199745174506081
Energy: -0.35928801378341624
Energy: 1.0015675705416789
Energy: -0.3870262513474544
Energy: 1.329346017413885
Energy: 0.0545314407544294
Energy: 1.6981854081975494
Energy: 0.6990784804002945
Energy: 1.2881121813537326
Energy: -0.4336929005543287
Energy: -0.4933873705239013
Energy: -0.5307871257605423
Energy: 1.2008911607148873
Energy: -0.3426740569593839
Energy: -0.4298727833005373
Energy: -0.3083808174418478
Energy: -0.4558066614618258
Energy: -0.4522665613502449
Energy: 1.2071927715471256
Energy: -0.34177475832972626
Energy: 1.658930388736558
Energy: 0.5780944766112378
Energy: 1.188587254384718
Energy: 0.3953980676476112
Energy: 1.1033093162964898
Energy: -0.40228027326185056
Energy: -0.4198219731265382
Energy: -0.37058773339619944
Energy: -0.3811626825142755
Energy: -0.41231513782432844
Energy: 1.2530642404127277
Energy: -0.4452460766859767
Energy: -0.4389496696059538
Energy: -0.4927104055401319
Energy: 1.2795048894940995
Energy: -0.448699884357135
Energy: 1.1465651320079926
Energy: 1.1456243978535159
Energy: 1.367200755074456
Energy: 1.272644553495775
Energy: -0.5375866183308875
Energy: -0.4461984143562426
Energy: -0.49885961727331496
Energy: -0.4956226253055161

minimum gb energy = -0.5454529360210403 eV
minimum distance =  2.57741939277087 Angstroms
sigma value = 25


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

Energy: 1.4031427984550566
Energy: 1.274706847956458
Energy: 2.006243126663124
Energy: 1.3195785599254453
Energy: 1.9736326434130933
Energy: 1.7171252793358651
Energy: 1.9762305116934584
Energy: 1.7171287732426634
Energy: 1.7659030767357942
Energy: 1.873225212658033
Energy: 1.8533742819442667
Energy: 1.8732252126915276
Energy: 1.674902332998581
Energy: 1.8421754538151986
Energy: 1.8703934715526236
Energy: 1.8421754539708046
Energy: 1.8247015985152266
Energy: 1.8052936840226934
Energy: 2.16773151867378
Energy: 1.8052936840226934
Energy: 2.477790214661171
Energy: 1.6376985339582548
Energy: 1.6243631450477947
Energy: 1.6376985161412145
Energy: 1.9148900721592994
Energy: 1.8571364426717878
Energy: 1.5279396080066854
Energy: 1.8571364427230144
Energy: 1.8276221094702638
Energy: 1.9655517668933116
Energy: 2.116363640580387
Energy: 1.9655517669011926
Energy: 2.0917685772653978
Energy: 1.631984378026503
Energy: 1.6555041399180799
Energy: 1.6319842705235108
Energy: 1.6268121444326058
Energy: 1.6465934264053101
Energy: 1.6100820689380602
Energy: 1.646593430489799
Energy: 1.7977485445422299
Energy: 1.8571079121062306
Energy: 2.07394434641468
Energy: 1.8571079121062306
Energy: 1.8535591766928028
Energy: 1.6642894610095742
Energy: 1.8096534498367913
Energy: 1.6642894610095742
Energy: 1.749462438818091
Energy: 1.8551972062178754
Energy: 1.8340941581240575
Energy: 1.8551972062159052
Energy: 1.8249606720530374
Energy: 1.6521049963191634
Energy: 2.0331527368866893
Energy: 1.6521049967760404
Energy: -0.4350003451406544
Energy: 1.5400501462559246
Energy: 2.0226652831140393
Energy: 1.5068075999931863
Energy: 1.9647851489607866
Energy: 1.659219531261487
Energy: 1.8053183286329073
Energy: 1.6594948288642766
Energy: 1.8294428403696434
Energy: 1.67162989242885
Energy: 1.8532976296142079
Energy: 1.67162989242885

minimum gb energy = -0.4350003451406544 eV
minimum distance =  2.5805798731203 Angstroms
sigma value = 17


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

Energy: 1.9951208720709255
Energy: 1.8735198105679698
Energy: 2.129484672063337
Energy: 1.8735198105702016
Energy: 1.853524860888428
Energy: 2.0331782871066064
Energy: 1.9440826438267753
Energy: 2.0331782872505015
Energy: 1.8115247374446353
Energy: 2.13897533225636
Energy: 1.9732495295743715
Energy: 2.138975332257476
Energy: 2.0901138901202656
Energy: 2.0701979761846636
Energy: 1.9187444007264862
Energy: 2.0701979761924743
Energy: 1.8155485246872407
Energy: 2.087285509759605
Energy: 1.9215730760323042
Energy: 2.0872855097484457
Energy: 2.4587138668648136
Energy: 1.9641561043842883
Energy: 1.8955429713155294
Energy: 1.9641561043854041
Energy: 2.040040984085776
Energy: 2.042701006950622
Energy: 2.0132853022922697
Energy: 2.042701006935
Energy: 2.0490967150797808
Energy: 2.058656443251751
Energy: 2.2284474130248637
Energy: 2.0586564432907557
Energy: 2.014836470054847
Energy: 2.0943895426680235
Energy: 1.9716568740799734
Energy: 2.0943895426769505
Energy: 2.0815851174322297
Energy: 2.125268174492561
Energy: 1.6339351217063558
Energy: 2.1252681744914446
Energy: 2.018073195635122
Energy: 1.9923268357745039
Energy: 2.1207533377600645
Energy: 1.9923268357733879
Energy: 1.8074300721874943
Energy: 2.09920872057598
Energy: 1.8632794397009682
Energy: 2.0992087205893704
Energy: 2.0991520309054614
Energy: 2.2354914899049034
Energy: 1.886773558127078
Energy: 2.2354914898848177
Energy: 1.9980428602699498
Energy: 1.9963412373586302
Energy: 2.105243219901169
Energy: 1.9963412373586302
Energy: 2.0151507510645033
Energy: 2.040148146926161
Energy: 2.1847441824915985
Energy: 2.0401481469038436
Energy: 2.125227252912653
Energy: 2.09545374268535
Energy: 1.9685381749175372
Energy: 2.0954537426864666
Energy: 2.004246741908776
Energy: 2.1007095734716787
Energy: 2.0964611639244084
Energy: 2.10070957347949
Energy: 2.151557527068328
Energy: 2.222451063732597
Energy: 1.8991058736909439
Energy: 2.222451063732597
Energy: 2.003543383932039
Energy: 2.101064056610479
Energy: 2.099458893284432
Energy: 2.1010640566115955
Energy: 2.174080730691857
Energy: 1.964058793432723
Energy: 2.0680495237590506
Energy: 1.9640587934940954
Energy: 2.0532418909075534
Energy: 2.1473989581750224
Energy: 2.172640748545086
Energy: 2.1473989581828334
Energy: 2.0480681022083687
Energy: 2.100509188401553
Energy: 2.106581547806621
Energy: 2.1005091884060163
Energy: 1.9328100645171593
Energy: 2.12563730528793
Energy: 2.1075238004635297
Energy: 2.125637305274539
Energy: 1.9751730366834328
Energy: 1.9470902822133522
Energy: 1.881441671350991
Energy: 1.9470902822557044
Energy: 1.9708111120995098
Energy: 1.9751072802858152
Energy: 1.8666040695613737
Energy: 1.9751072802869307
Energy: 1.960131432807286
Energy: 2.1232612424732538
Energy: 1.981674503596686
Energy: 2.123261242469906
Energy: 1.9020742677042382
Energy: 2.097522865897798
Energy: 2.1076652205155613
Energy: 2.097522865898914
Energy: 2.073719039918999
Energy: 2.047517155379135
Energy: 2.0937296732180126
Energy: 2.0475171553757874
Energy: 1.7561286108345202
Energy: 2.0996192240324465
Energy: 2.088038347434583
Energy: 2.09961922403691
Energy: 2.1371633104270917
Energy: 1.9671055301218825
Energy: 1.8777246108988144
Energy: 1.9671055301207665

minimum gb energy = 1.6339351217063558 eV
minimum distance =  2.58104189993169 Angstroms
sigma value = 53


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

Energy: 2.449508461383921
Energy: 2.4367683332747774
Energy: 2.181110910136914
Energy: 2.4367683332747774
Energy: 1.4505885817368724
Energy: 2.317465501341148
Energy: 1.5206070065799608
Energy: 2.317465501343717
Energy: 1.5790577928745542
Energy: 1.290518490873398
Energy: 1.543512750942754
Energy: 1.3571738415213115
Energy: 1.5748474859276118
Energy: 1.5682373244285404
Energy: 1.6098682588769193
Energy: 1.4917568815631808
Energy: 1.4654336512179345
Energy: 2.3140089379460274
Energy: 1.5313157311550223
Energy: 2.314008937948596
Energy: 4.085509606320008
Energy: 2.436768333277346
Energy: 2.449508461383921
Energy: 2.4367683332747774
Energy: 1.438094566830637
Energy: 2.317465501343717
Energy: 1.2241041571131637
Energy: 2.317465501338579
Energy: 1.4350353265151212
Energy: 1.4464972862188197
Energy: 1.5913700184772097
Energy: 1.46340417095213
Energy: 1.5618084462569246
Energy: 1.5681875384464217
Energy: 1.5750580779527223
Energy: 1.4977365840283658
Energy: 1.4806777182636532
Energy: 2.314008937948596
Energy: 1.537630814597561
Energy: 2.314008937948596
Energy: 2.449508461383921
Energy: 2.436768333277346
Energy: 2.180137403128264
Energy: 2.436768333277346
Energy: 1.4323709373330729
Energy: 2.317465501338579
Energy: 1.0970538294934953
Energy: 2.317465501341148
Energy: 1.5942795482328374
Energy: 1.4062951269302177
Energy: 1.519427973964885
Energy: 1.3836815088749583

minimum gb energy = 1.0970538294934953 eV
minimum distance =  2.61523279254332 Angstroms
sigma value = 9


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

Energy: 2.408740041207297
Energy: 2.086184870130744
Energy: 2.3062462096925516
Energy: 2.0861848701259906
Energy: 1.9169479332316837
Energy: 1.983650086038691
Energy: 2.087582140017375
Energy: 1.983650086039642
Energy: 2.0496741629560846
Energy: 2.1565067880285853
Energy: 2.1978817755283466
Energy: 2.1565067880323885
Energy: 2.119023742620759
Energy: 2.254510947351803
Energy: 2.0404995738155973
Energy: 2.2545109473508522
Energy: 2.0423080574456347
Energy: 2.0938716236575896
Energy: 1.9786251039235616
Energy: 2.093871623663295
Energy: 2.540775274396459
Energy: 2.23631945134204
Energy: 2.483425668437287
Energy: 2.2363194513391877
Energy: 1.9696714865179497
Energy: 2.1197129498477594
Energy: 2.0632858299840944
Energy: 2.119712949844907
Energy: 2.1414406060890383
Energy: 2.2418655302598185
Energy: 2.052112893547298
Energy: 2.241865530256015
Energy: 2.0104941376440406
Energy: 2.13559185222392
Energy: 2.1856865181782203
Energy: 2.1355918522172646
Energy: 1.8715211392919007
Energy: 2.0373426888269006
Energy: 2.1764783898587527
Energy: 2.0373426888031303
Energy: 2.175102351319889
Energy: 2.0008087370783465
Energy: 2.1877867012109493
Energy: 2.0008087370850016
Energy: 2.109490562282912
Energy: 2.210249093631059
Energy: 1.8751075012473453
Energy: 2.2102490936272554
Energy: 2.151528757911641
Energy: 2.0062918914154744
Energy: 1.9869445030098938
Energy: 2.006291891411671
Energy: 2.071547372982474
Energy: 2.1536225917156884
Energy: 1.8864021871684002
Energy: 2.1536225917194916
Energy: 2.102637581669048
Energy: 2.2295872712583367
Energy: 1.878632989805064
Energy: 2.229587271259288
Energy: 2.166609471898667
Energy: 2.0108835433624153
Energy: 1.9855580088415834
Energy: 2.0108835433624153
Energy: 2.1124777811803055
Energy: 2.0625948016337237
Energy: 2.464054642917711
Energy: 2.0625948016355817
Energy: 2.1395768303519502
Energy: 1.9547630312521997
Energy: 2.1355810806224156
Energy: 1.9547630312521997
Energy: 2.201586900620762
Energy: 2.1302922215522426
Energy: 2.0441547216919855
Energy: 2.1302922215579474
Energy: 2.020000762737377
Energy: 2.0141938097970886
Energy: 2.168856843609363
Energy: 2.01419380979804
Energy: 1.8475085803373565
Energy: 2.072688439923683
Energy: 2.3829643746967304
Energy: 2.072688439921782
Energy: 1.9236859531356763
Energy: 1.8490003631890601
Energy: 2.001763846433221
Energy: 1.8490003631928638
Energy: 2.085305347544662
Energy: 1.9438205028984346
Energy: 2.0953969059569033
Energy: 1.9438205028851232
Energy: 2.0930442224388606
Energy: 2.053479848853974
Energy: 2.184246216647462
Energy: 2.0534798488606296
Energy: 2.0529965818313767
Energy: 2.0689114638305077
Energy: 1.931163209146594
Energy: 2.0689114638276553
Energy: 2.0642419258658284
Energy: 2.227319636654486
Energy: 1.923157783862678
Energy: 2.2273196366573385
Energy: 2.1338123767156345
Energy: 1.7978900379135119
Energy: 2.124971327707855
Energy: 1.7978900379163643
Energy: 2.3220619152354867
Energy: 1.7980865333127785
Energy: 2.1448677900641795
Energy: 1.7980865333175322
Energy: 2.130407123105472
Energy: 2.2246169743389466
Energy: 1.9211342236212519
Energy: 2.224616974315177
Energy: 2.0326634204249996
Energy: 2.069240016870981
Energy: 1.9273893587128725
Energy: 2.0692400168690788
Energy: 2.0111340478663973
Energy: 2.0682092430354637
Energy: 2.136443071726895
Energy: 2.068209243036415
Energy: 2.0948083007884954
Energy: 1.8518040495877235
Energy: 2.071455268887631
Energy: 1.8518040495915264
Energy: 2.395040413466922
Energy: 1.8526772025828002
Energy: 2.0101366623737493
Energy: 1.8526772025808986
Energy: 1.851369797969706
Energy: 2.0878491281571767
Energy: 2.3909805519849576
Energy: 2.0878491281590783
Energy: 1.9353496377248771
Energy: 2.0151256785998046
Energy: 2.1517617791477393
Energy: 2.0151256786017067

minimum gb energy = 1.7978900379135119 eV
minimum distance =  2.57913582513503 Angstroms
sigma value = 73


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

Energy: 2.4952109101834496
Energy: 2.452972807336199
Energy: 2.507231985418912
Energy: 2.452972807354301
Energy: 2.038106916528488
Energy: 2.037893497129369
Energy: 2.222880109904456
Energy: 2.0378935068338513
Energy: 2.0587935344450723
Energy: 2.331801756044952
Energy: 2.006672154556195
Energy: 2.331801756041935
Energy: 2.169317375214243
Energy: 2.0776539934090867
Energy: 2.329023417173972
Energy: 2.0776539934121034
Energy: 2.235401487464047
Energy: 2.079229988630903
Energy: 1.6186096754637307
Energy: 2.0792299886339203
Energy: 2.7662419883018012
Energy: 2.0809242985348306
Energy: 1.98594521694926
Energy: 2.080924298527288
Energy: 1.9164702919518088
Energy: 2.0305857788386916
Energy: 1.7245158378594194
Energy: 2.030580684359402
Energy: 2.0732089107111364
Energy: 2.079592796323061
Energy: 2.109814346292168
Energy: 2.079592796323061
Energy: 1.9493458884981252
Energy: 2.323412441357713
Energy: 2.0714033939134557
Energy: 2.3234124413607296
Energy: 1.94372953648925
Energy: 2.329100126411511
Energy: 1.9961871290711848
Energy: 2.3291001264130196
Energy: 2.0713270228829175
Energy: 2.0785607651719276
Energy: 2.6866680835581205
Energy: 2.0785607651749447
Energy: 2.2008668084395704
Energy: 2.078049240729497
Energy: 1.5010440977595787
Energy: 2.0780492407325135
Energy: 2.242062767389266
Energy: 2.0772213855220856
Energy: 1.9446690179463575
Energy: 2.077221385519069
Energy: 2.0308836801447696
Energy: 2.162320970090027
Energy: 2.1858139356269892
Energy: 2.162320970160893
Energy: 2.1150508347964836
Energy: 2.0743176794005755
Energy: 2.325797748219177
Energy: 2.074317679427729
Energy: 2.3893511950936053
Energy: 2.3310559419735863
Energy: 1.8990875866431007
Energy: 2.3310559419750954
Energy: 2.1906705049400923
Energy: 1.9442317994671554
Energy: 2.218537517523047
Energy: 1.9442317994490534
Energy: 2.2188797986755326
Energy: 1.9161724501966162
Energy: 2.288065842128307
Energy: 1.9161724500699355
Energy: 2.3700133840866986
Energy: 2.3319226988663524
Energy: 2.322972209772753
Energy: 2.331922698864844
Energy: 2.165421618886685
Energy: 2.0783110654160044
Energy: 1.9665313803924627
Energy: 2.0783110654160044
Energy: 2.028403757094675
Energy: 2.012604087673266
Energy: 1.917779862049895
Energy: 2.0126040883020426
Energy: 2.234510249773053
Energy: 2.079364061652674
Energy: 1.9076544917099687
Energy: 2.079364061652674

minimum gb energy = 1.5010440977595787 eV
minimum distance =  2.56449454848813 Angstroms
sigma value = 7


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

Energy: 2.6485764608640756
Energy: 1.9499315306863338
Energy: 2.18777047313841
Energy: 1.9499315306863338
Energy: 2.0854593820941156
Energy: 1.9129211269931987
Energy: 2.1642935176657176
Energy: 1.9129211269377313
Energy: 2.162328653113077
Energy: 2.181436982987564
Energy: 2.1700274342774573
Energy: 2.1814369830014306
Energy: 2.0343147996250424
Energy: 1.8930158217624191
Energy: 2.161832173197597
Energy: 1.8930158217538855
Energy: 2.30683585613946
Energy: 2.179795240183139
Energy: 1.88215578213607
Energy: 2.1797952401799394
Energy: 2.2574744021774773
Energy: 1.8976959576970784
Energy: 1.9194625709334863
Energy: 1.897695957701345
Energy: 1.9271392161901961
Energy: 2.072952023585868
Energy: 2.443005422059312
Energy: 2.0729520235976016
Energy: 1.9193248689227107
Energy: 1.894814084429607
Energy: 2.2860114913014
Energy: 1.8948140843539212
Energy: 2.5040832485333424
Energy: 2.17660944114876
Energy: 2.161799038415011
Energy: 2.176609441147694
Energy: 2.151783263623659
Energy: 1.8902135068021044
Energy: 2.0660090627086904
Energy: 1.8902135067925043
Energy: 2.1647987782284113
Energy: 2.1801371607365896
Energy: 2.3318610348093665
Energy: 2.180137160738723
Energy: 2.3610652022339202
Energy: 1.8948624245154093
Energy: 2.3601801087778256
Energy: 1.8948624245026089
Energy: 2.3278719402769745
Energy: 1.9003429928036042
Energy: 2.0597748602658714
Energy: 1.9003429927833375
Energy: 2.155425562550199
Energy: 2.1577018352718054
Energy: 2.1131459028433865
Energy: 2.1577018352803385
Energy: 2.162685319574017
Energy: 1.8979082674729597
Energy: 2.070417588456604
Energy: 1.897908267471893
Energy: 2.347975376029368
Energy: 2.3315291725619702
Energy: 2.1787059899071424
Energy: 2.3315291725619702
Energy: 1.88905676221476
Energy: 1.9005635442225286
Energy: 2.2880827690446424
Energy: 1.900563544224662
Energy: 1.8787493136493194
Energy: 2.1779642852030934
Energy: 2.3475502850881167
Energy: 2.1779642852020267
Energy: 2.306718250908185
Energy: 1.8996115379007505
Energy: 1.8820222425363706
Energy: 1.8996115378996838
Energy: 2.3053185845543793
Energy: 2.1805658789359503
Energy: 1.8784071503865092
Energy: 2.1805658789338174
Energy: 2.0795741187586545
Energy: 2.1512223569803344
Energy: 2.1562476570709523
Energy: 2.151222356977134
Energy: 2.0492166716044684
Energy: 2.180971999624709
Energy: 2.167595493589674
Energy: 2.180971999624709
Energy: 2.0609797636016376
Energy: 2.185306275433533
Energy: 2.172694539713042
Energy: 2.1853062754356665
Energy: 2.06201961726126
Energy: 1.894937656047041
Energy: 2.329771693382228
Energy: 1.8949376560491744
Energy: 2.3965035614706047
Energy: 1.893002634027616
Energy: 2.147183718302498
Energy: 1.893002634027616
Energy: 2.3321272250689637
Energy: 2.1806218758724194
Energy: 2.168449342761032
Energy: 2.1806218758713527
Energy: 2.089649812091393
Energy: 1.891461728242452
Energy: 2.1440053554522445
Energy: 1.8914617282435184
Energy: 2.294322197815246
Energy: 2.1787076075837595
Energy: 2.5701947952988373
Energy: 2.1787076075837595
Energy: 2.2646238065585527
Energy: 1.895302658259882
Energy: 1.918759744028865
Energy: 1.895302658258815
Energy: 2.455152236256716
Energy: 2.0329422878127863
Energy: 2.440287075411893
Energy: 2.032942287786119
Energy: 1.9187077590871886
Energy: 1.8956842225771802
Energy: 2.2646238065500675
Energy: 1.8956842225878472

minimum gb energy = 1.8784071503865092 eV
minimum distance =  2.59222742157688 Angstroms
sigma value = 29


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

Energy: 1.245713512254569
Energy: 1.8158067417261476
Energy: 2.3662638912642238
Energy: 1.8158067417101706
Energy: 2.369445867847482
Energy: 1.7026157067114924
Energy: 1.782087412185384
Energy: 1.7026157067071577
Energy: 2.2008072233321907
Energy: 1.7646944670815268
Energy: 1.7349244328655498
Energy: 1.7646944637511945
Energy: 1.6417265009732058
Energy: 1.7899722321914662
Energy: 1.707790795726106
Energy: 1.7899722314764699
Energy: 1.9291403060635723
Energy: 1.7218466460194684
Energy: 1.7081560021019575
Energy: 1.721846646018395
Energy: 2.2945843701251722
Energy: 1.7242404261586979
Energy: 1.7242019014433756
Energy: 1.724240426159441
Energy: 2.870422042247927
Energy: 1.7610407487134094
Energy: 2.4680415992484037
Energy: 1.7610407483633217
Energy: 1.3032805165337442
Energy: 1.711991447933996
Energy: 2.0721943890142156
Energy: 1.7119914478708318
Energy: 2.2573269031549477
Energy: 1.7732416603208234
Energy: 1.720425003249354
Energy: 1.7732416608466568

minimum gb energy = 1.245713512254569 eV
minimum distance =  2.59094746431962 Angstroms
sigma value = 5


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

Energy: 1.866009432005107
Energy: 1.4354945148888818
Energy: 2.304123086435363
Energy: 1.4354945148888818
Energy: 1.9790736912933253
Energy: 1.3737484137828666
Energy: 1.9654171976519048
Energy: 1.3737484137788363
Energy: 1.6069972770891916
Energy: 1.825671355625821
Energy: 1.8338608337495383
Energy: 1.8256713556217907
Energy: 1.6061995467220285
Energy: 1.7579981710792036
Energy: 2.1419781273970835
Energy: 1.7579981710792036
Energy: 1.4814938931064578
Energy: 1.822194387835789
Energy: 1.590702784924297
Energy: 1.8221943878338194
Energy: 2.12783263172922
Energy: 1.971268512665367
Energy: 1.6351101255732055
Energy: 1.971268512660329
Energy: 2.09516519516845
Energy: 1.7585641885062437
Energy: 1.8677362847505392
Energy: 1.7585641885052363
Energy: 2.07596798898336
Energy: 1.7596891183053702
Energy: 1.8636492988983413
Energy: 1.759689118308393
Energy: 2.304431200249607
Energy: 1.534318956744337
Energy: 1.9781532801756119
Energy: 1.5343189560352553
Energy: 2.1810187535343633
Energy: 1.5469463115365039
Energy: 1.9795381331921256
Energy: 1.5469463115525797
Energy: 1.8706484609044434
Energy: 1.8313322451728964
Energy: 2.080974240444773
Energy: 1.8313322451728964
Energy: 1.871164654254203
Energy: 1.834482691558957
Energy: 1.526476131256668
Energy: 1.8344826915609722
Energy: 2.2833960397742414
Energy: 1.9148137826737481
Energy: 1.5164755594244874
Energy: 1.9148137826757634
Energy: 1.5770322409074333
Energy: 1.825976232749019
Energy: 1.5178645839259823
Energy: 1.825976232740958
Energy: 1.6862570771987597
Energy: 1.4812869707613352
Energy: 2.2439965936124757
Energy: 1.48128697076335
Energy: 2.1464023802936527
Energy: 1.566367694623857
Energy: 1.9430891852439287
Energy: 1.5663676946228495
Energy: 2.2060599000305188
Energy: 1.5642953925287149
Energy: 2.0223105591173525
Energy: 1.5642953925277072
Energy: 1.695048275364561
Energy: 1.7719839776436361
Energy: 1.8688892217252622
Energy: 1.7719839776305373
Energy: 2.082646103123117
Energy: 1.6751005547193747
Energy: 1.5529991735994004
Energy: 1.6751005547184128
Energy: 1.7161166705630764
Energy: 1.8650976026160055
Energy: 1.6473658524173012
Energy: 1.8650976026160055
Energy: 1.7131342857934961
Energy: 1.7712811670477389
Energy: 2.022794285865681
Energy: 1.771281167046731
Energy: 1.7945734376832032
Energy: 1.8340554986198236
Energy: 1.8443929107226638
Energy: 1.8340554986208313
Energy: 1.6018349871038071
Energy: 1.8126773690382756
Energy: 1.8397792168389644
Energy: 1.8126773690986866
Energy: 2.068491226348444
Energy: 1.4166280166417011
Energy: 2.4029614257052634
Energy: 1.4166280166396863
Energy: 2.0428190078957194
Energy: 1.4177153884712097
Energy: 2.4503223250173107
Energy: 1.4177153884712097
Energy: 2.1196182836163886
Energy: 1.8222988361947543
Energy: 1.8430170009281182
Energy: 1.8222988361967696
Energy: 1.6048347942678145
Energy: 1.8219305862345578
Energy: 1.8258921613358436
Energy: 1.821930586244634
Energy: 1.7144616553619636
Energy: 1.7667572266695042
Energy: 2.397073318525074
Energy: 1.766757226665474
Energy: 1.7250594793817011
Energy: 1.8350799305818775
Energy: 1.644638072136663
Energy: 1.8350799305838927
Energy: 2.0664526918593737
Energy: 2.100622243013504
Energy: 1.6927722338603803
Energy: 2.1006222430114887
Energy: 2.0265277541717204
Energy: 1.764660989643589
Energy: 1.8832317814564525
Energy: 1.7646609896425813
Energy: 1.8002294979536146
Energy: 1.5050239679934425
Energy: 2.147211025280765
Energy: 1.505023967986389
Energy: 2.489766655683915
Energy: 1.5168363179227906
Energy: 1.9500713575728785
Energy: 1.516836317806

minimum gb energy = 1.3737484137788363 eV
minimum distance =  2.5555697236154 Angstroms
sigma value = 1


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

Energy: 1.820175436953967
Energy: 1.6524856588204
Energy: 2.027197701747386
Energy: 1.6524856588050747
Energy: 1.2836776243086372
Energy: 1.3308975259442588
Energy: 1.7545190488347973
Energy: 1.3308975259665181
Energy: 1.8754784545108325
Energy: 1.9469572610064463
Energy: 2.054408516567916
Energy: 1.9469572610370967
Energy: 1.7625836200982685
Energy: 2.0004039065289985
Energy: 2.0701473021608385
Energy: 2.0004039065289985
Energy: 1.2752599935681848
Energy: 1.6513381885327703
Energy: 1.2631594636222345
Energy: 1.6513381885341634
Energy: 1.2825176167376664
Energy: 1.2818230984560741
Energy: 1.285266570902396
Energy: 1.2818230984574672
Energy: 2.0768682533162175
Energy: 1.9828392645166348
Energy: 1.8614705937820464
Energy: 1.982839265249134
Energy: 2.086383203093482
Energy: 2.0150882033577613
Energy: 1.873369470125568
Energy: 2.01508820336612
Energy: 2.5558929944974773
Energy: 1.6532080151103257
Energy: 1.7622604172537673
Energy: 1.6532080150198003
Energy: 2.555892994491905
Energy: 1.6623939148894566
Energy: 1.7452145721348091
Energy: 1.66239391489085
Energy: 2.0437183428592287
Energy: 2.013699985390369
Energy: 1.8733694701367134
Energy: 2.0136999843166974
Energy: 2.073451895688703
Energy: 2.0028727245366578
Energy: 1.8614705937848326
Energy: 2.0028727245352647
Energy: 1.2444200328795056
Energy: 1.275505494931791
Energy: 1.2810190299271564
Energy: 1.2755054949986322
Energy: 1.2779222230250704
Energy: 1.6263343484695059
Energy: 1.2518557459215958
Energy: 1.6263343532097898
Energy: 1.7467822400474704
Energy: 2.0016636279361295
Energy: 2.0652696350203232
Energy: 2.001663627933343
Energy: 1.875478454523371
Energy: 1.954584997472786
Energy: 2.0549673986122445
Energy: 1.9545849995532878
Energy: 1.341165038794208
Energy: 1.3216430747406351
Energy: 1.756831769607764
Energy: 1.3216431457880584
Energy: 1.8201754369525738
Energy: 1.6524856588315453
Energy: 2.0271978219719022
Energy: 1.6524856588134338
Energy: 1.2836776283805083
Energy: 1.330897525987416
Energy: 1.7545190488556952
Energy: 1.330897525994382
Energy: 1.8754784545094392
Energy: 1.9469572609674688
Energy: 2.0544085165929933
Energy: 1.9469572612793844
Energy: 1.7625836201038414
Energy: 2.0004039065289985
Energy: 2.0701473021594454
Energy: 2.000403906530391
Energy: 1.2752599935486801
Energy: 1.651338188525836
Energy: 1.2631594636250207
Energy: 1.6513381885369498
Energy: 1.282517616747419
Energy: 1.2818230984532877
Energy: 1.2852665708982165
Energy: 1.2818230984574672
Energy: 2.076868253323183
Energy: 1.9828392641462373
Energy: 1.8614705937806533
Energy: 1.9828392643690522

minimum gb energy = 1.2444200328795056 eV
minimum distance =  2.56618497798572 Angstroms
sigma value = 17


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

Energy: 1.8502667846781735
Energy: 1.334198779854898
Energy: 2.2923451022125363
Energy: 1.3341987798583426
Energy: 1.6671010761659124
Energy: 1.3494673076947
Energy: 1.8472035006576244
Energy: 1.3494673076964223
Energy: 1.440181501934065
Energy: 1.8407719652307832
Energy: 1.7552050002578656
Energy: 1.8407719652325056
Energy: 1.5319171383989516
Energy: 1.5832806313196603
Energy: 2.2242429944706106
Energy: 1.5832806313222434
Energy: 1.7851905825550884
Energy: 1.8301193541886027
Energy: 1.7725228584678203
Energy: 1.8301193541868808
Energy: 1.9723687129480225
Energy: 1.7855774718828643
Energy: 1.774858841377544
Energy: 1.785577471882003
Energy: 1.8475190947055673
Energy: 1.9658146311671407
Energy: 1.3294118539790147
Energy: 1.9658146311636964
Energy: 1.8429351073855635
Energy: 1.9612910680824815
Energy: 1.6252238141446784
Energy: 1.9612910680833424
Energy: 2.0381029880470405
Energy: 1.444678401716297
Energy: 1.9457725492583435
Energy: 1.4446784017206027
Energy: 1.8330183804063829
Energy: 1.4461213535489774
Energy: 1.9561655586235778
Energy: 1.4461213535326165
Energy: 1.8356056335361641
Energy: 1.5752763932618685
Energy: 1.6261517755677057
Energy: 1.5752763932627298
Energy: 1.8725870018621562
Energy: 1.5751529450065072
Energy: 1.6513049948611642
Energy: 1.5751529449970354
Energy: 1.8568908386457008
Energy: 1.9719494454261715
Energy: 1.9640063176899847
Energy: 1.971949445423588
Energy: 1.550001702235436
Energy: 1.8261307242342828
Energy: 1.9642218839122283
Energy: 1.8261307242351439
Energy: 1.5315560307774112
Energy: 1.9944457221969685
Energy: 1.9156898066810868
Energy: 1.9944457221969685
Energy: 1.5376892330980705
Energy: 1.9643175694600734
Energy: 1.6448786600235215
Energy: 1.9643175694549069
Energy: 2.1271366612811144
Energy: 1.493719982618813
Energy: 1.529581227100964
Energy: 1.4937199826127852
Energy: 1.8545461302365294
Energy: 1.694472193929755
Energy: 1.7765020329132108
Energy: 1.6944721939280325
Energy: 1.7301068978283642
Energy: 1.205417095958808
Energy: 1.5981282376324706
Energy: 1.2054170959545023
Energy: 2.097533648246591
Energy: 1.4782870031777076
Energy: 1.7581699775856872
Energy: 1.4782870031785686
Energy: 1.6205011064851953
Energy: 1.7204966468134324
Energy: 1.9230199530493335
Energy: 1.7204966468220437
Energy: 1.831042004739088
Energy: 1.8312356804054915
Energy: 1.3261868717608167
Energy: 1.8312356804054915
Energy: 2.083235497529316
Energy: 1.7912454605694936
Energy: 1.9085731760759135
Energy: 1.791245460571216
Energy: 1.7515192970148745
Energy: 1.9665674763689078
Energy: 1.52828823353869
Energy: 1.9665674763654635
Energy: 1.7512628848795626
Energy: 1.994760657586565
Energy: 2.050452191155644
Energy: 1.9947606575848429
Energy: 1.4343137172818698
Energy: 1.829924937392629
Energy: 1.7330354125167673
Energy: 1.8299249373909066
Energy: 1.682647964915758
Energy: 1.8051809379448323
Energy: 1.976867898553178
Energy: 1.8051809379405268
Energy: 1.8192531693766023
Energy: 1.2009255091225683
Energy: 2.225209539243738
Energy: 1.200925509110513
Energy: 1.8143505120147954
Energy: 1.173842386817998
Energy: 2.042424619843682
Energy: 1.1738423721832123
Energy: 1.4308091880553417
Energy: 1.8285074062340492
Energy: 1.7079133786159826
Energy: 1.8285074062366322
Energy: 1.4326316522930866
Energy: 1.8266797378881034
Energy: 1.9800989724034235
Energy: 1.826679737884659
Energy: 1.7547199425253217
Energy: 2.006321972006943
Energy: 1.768972263045434
Energy: 2.0063219720060825
Energy: 1.7537875585454978
Energy: 1.9652664967742866
Energy: 1.5259074450402625
Energy: 1.9652664967760085
Energy: 2.103868301399839
Energy: 1.9685408008537646
Energy: 1.3245666837239807
Energy: 1.9685408008537646
Energy: 1.8251770663580666
Energy: 1.829509759608362
Energy: 1.6379861431381486
Energy: 1.829509759608362
Energy: 1.7312230858308781
Energy: 1.3490257774508514
Energy: 1.9915645616014797
Energy: 1.349025777448268
Energy: 2.38719249491629
Energy: 1.4692560483328716
Energy: 1.723091243331169
Energy: 1.4692560483285664
Energy: 1.7450107905573822
Energy: 1.2051279319866328
Energy: 1.7645449639843902
Energy: 1.2051279319866328

minimum gb energy = 1.1738423721832123 eV
minimum distance =  2.52754737401139 Angstroms
sigma value = 89


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

Energy: 1.65275858591934
Energy: 1.4581671813406765
Energy: 1.6734244440277988
Energy: 1.4581671807596375
Energy: 1.3133014862567929
Energy: 1.5971510946021565
Energy: 1.6332081785987531
Energy: 1.5971510918951815
Energy: 1.6321154961381075
Energy: 1.4432216816178256
Energy: 1.4560507964381642
Energy: 1.443221681604307
Energy: 1.7274533335363693
Energy: 1.681891802952628
Energy: 2.074174603680304
Energy: 1.6818918029661465
Energy: 1.5807299854350054
Energy: 1.733593828134652
Energy: 1.4041104411474867
Energy: 1.733593828132399
Energy: 1.6945362251226552
Energy: 2.15554434644172
Energy: 1.4416090034373494
Energy: 2.1555443464394672
Energy: 1.6526120449157549
Energy: 1.4517141492952765
Energy: 1.446853840030286
Energy: 1.451714149308795
Energy: 1.7040750158758144
Energy: 1.7038498016342234
Energy: 2.154370078639818
Energy: 1.7038498016252108
Energy: 1.626170440693737
Energy: 1.709576686072336
Energy: 1.4562503590807334
Energy: 1.70957668606783
Energy: 1.7122862326736135
Energy: 1.6890698743787302
Energy: 1.4794658136806997
Energy: 1.6890698745701909
Energy: 1.5673491708868226
Energy: 1.4173497315742116
Energy: 2.1540864644824307
Energy: 1.417349731788152
Energy: 1.3074678625698222
Energy: 1.4420008572641305
Energy: 2.1514785231596414
Energy: 1.4420008571515277
Energy: 1.6605518715640564
Energy: 1.7230460384754498
Energy: 1.4875318043464028
Energy: 1.7230460384754498
Energy: 1.6253700273958893
Energy: 1.6997352280165103
Energy: 1.4340348696472558
Energy: 1.6997352280210165
Energy: 1.6845586286814709
Energy: 1.6608879808002752
Energy: 2.152244347701656
Energy: 1.6608879825321265

minimum gb energy = 1.3074678625698222 eV
minimum distance =  2.54604945500766 Angstroms
sigma value = 13


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

Energy: 1.4127353371071203
Energy: 1.3966313051059607
Energy: 1.4666478001590284
Energy: 1.3966313051078494
Energy: 1.2930224873751328
Energy: 1.3994651808489282
Energy: 1.457114846556883
Energy: 1.3994651808527057
Energy: 1.3375659351747982
Energy: 1.5177033044885906
Energy: 1.6026259184734788
Energy: 1.517703304486702
Energy: 1.6436841414488037
Energy: 1.588789070677683
Energy: 1.5903218400508943
Energy: 1.5887890706757946
Energy: 1.4110957842354606
Energy: 1.8129171906632395
Energy: 1.2927943027740183
Energy: 1.8129171906622954
Energy: 1.8809829064831782
Energy: 1.7771536511970465
Energy: 1.6448038052378944
Energy: 1.7771536511998796
Energy: 1.514655324564741
Energy: 1.518471769774588
Energy: 1.5438235960730267
Energy: 1.5184717697727423
Energy: 1.5182612100684847
Energy: 1.5703670742063942
Energy: 1.4982080467415198
Energy: 1.5703670742290587
Energy: 1.2852574251326931
Energy: 1.7166700767104632
Energy: 1.395463673824687
Energy: 1.7166700767114076
Energy: 1.8444771046611013
Energy: 1.7201019268600182
Energy: 1.7611393698391942
Energy: 1.7201019268656845
Energy: 1.5961294152572016
Energy: 1.51594169175555
Energy: 1.3401582419916198
Energy: 1.5159416917527166
Energy: 1.5900404816169553
Energy: 1.47841082191459
Energy: 1.4989503599355964
Energy: 1.478410821907035
Energy: 1.7348846292510287
Energy: 1.3982039324189028
Energy: 1.3363416955811673
Energy: 1.3982039324189028
Energy: 1.4224054848778422
Energy: 1.3912729490942541
Energy: 1.255852834723177
Energy: 1.3912729490951985
Energy: 1.59590519807527
Energy: 1.5157652098070513
Energy: 1.3371863899600933
Energy: 1.5157652098098846
Energy: 1.5903004029948724
Energy: 1.4827397247090315
Energy: 1.3331097189637815
Energy: 1.4827397247770246
Energy: 1.7362971923512294
Energy: 1.719876359829652
Energy: 1.3894024333433637
Energy: 1.7198763598305962
Energy: 1.287936707239442
Energy: 1.8390469690199722
Energy: 1.8833875592311056
Energy: 1.8390469690218607
Energy: 1.6304211583967416
Energy: 1.4861013594130252
Energy: 1.5177093266690562
Energy: 1.486101359402637
Energy: 1.5166028340028332
Energy: 1.4843667805632044
Energy: 1.6256149376061408
Energy: 1.4843667805499834
Energy: 1.8832103035893555
Energy: 1.8391932545832033
Energy: 1.2879167104244662
Energy: 1.8391932545841476
Energy: 1.389476766526645
Energy: 1.8274673667963452
Energy: 1.7362971923474522
Energy: 1.8274673667774581
Energy: 1.33310971894116
Energy: 1.4811214186136379
Energy: 1.5921959727892068
Energy: 1.4811214186145822
Energy: 1.3371863899525387
Energy: 1.5153773845870981
Energy: 1.595874951281317
Energy: 1.5153773845861536
Energy: 1.2457784125374167
Energy: 1.3930666854640086
Energy: 1.422169844252196
Energy: 1.3930666854621199
Energy: 1.3362451223046283
Energy: 1.3969618337860317
Energy: 1.7348846292434736
Energy: 1.3969618337860317
Energy: 1.4986550554904643
Energy: 1.479970573244251
Energy: 1.5900897299543895
Energy: 1.4799705732461397
Energy: 1.340158241988787
Energy: 1.515196611690712
Energy: 1.596045498590799
Energy: 1.515196611690712
Energy: 1.7549917753495938
Energy: 1.7194810733590506
Energy: 1.8444904765862242
Energy: 1.7194810733618837
Energy: 1.3953792812513306
Energy: 1.7169082683432293
Energy: 1.2890722957901093
Energy: 1.7169082683460624
Energy: 1.497500262271004
Energy: 1.5712667405872838
Energy: 1.5193691657075323
Energy: 1.571266740596727
Energy: 1.5442365746426217
Energy: 1.5188953479681921
Energy: 1.5172331083119162
Energy: 1.5188953479681921
Energy: 1.646792163931375
Energy: 1.7392487787341198
Energy: 1.878518206019351
Energy: 1.7392487787341198
Energy: 1.291710402957244
Energy: 1.8041560150437945
Energy: 1.4110974797011044
Energy: 1.8041560150343512
Energy: 1.590287670233171
Energy: 1.588018420379291
Energy: 1.6446068693998974
Energy: 1.5880184203802354

minimum gb energy = 1.2457784125374167 eV
minimum distance =  2.55750508794773 Angstroms
sigma value = 37


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

Energy: 0.6331528636228784
Energy: 0.8567947225577144
Energy: 1.8413975220347252
Energy: 0.8400008909559814
Energy: 0.9472081241947684
Energy: 1.2888493209988825
Energy: 1.3375086287475013
Energy: 1.2888493208657295
Energy: 1.6057746763943863
Energy: 1.350124042932021
Energy: 1.1922252809242826
Energy: 1.350124046553522
Energy: 1.5345704249974195
Energy: 1.4897719914018284
Energy: 1.501605186842094
Energy: 1.4897719914050778
Energy: 1.3482367177219456
Energy: 1.2899983109227602
Energy: 1.8351063117507942
Energy: 1.2899983239440063
Energy: 1.7021724036727828
Energy: 1.6945887779765625
Energy: 1.6366747755965818
Energy: 1.6945887779749378
Energy: 1.4416843198889444
Energy: 1.3289480483260603
Energy: 1.4108566817460002
Energy: 1.328948025177601
Energy: 1.450722656576624
Energy: 1.9345113548682977
Energy: 1.6273401370477085
Energy: 1.9345113548699227
Energy: 1.4226907615539208
Energy: 1.361895180518576
Energy: 1.6320710766095323
Energy: 1.3618951804471253
Energy: 1.7020445925011904
Energy: 1.678998278333949
Energy: 1.6266908436762353
Energy: 1.6789982783664066
Energy: 1.3565498263142182
Energy: 1.3327589366516968
Energy: 1.501114614075385
Energy: 1.332758938452736
Energy: 1.3842402401654432
Energy: 1.6825387285114826
Energy: 1.622665550788463
Energy: 1.6825387285098579
Energy: 1.6051194259970207
Energy: 1.3256861726981415
Energy: 1.4263314933540097
Energy: 1.3256861726673088
Energy: 1.053936525698929
Energy: 1.3208646777715878
Energy: 1.3486655387599582
Energy: 1.3208608716883057
Energy: 0.7855852236887478
Energy: 0.8299856316577067
Energy: 1.847034161613158
Energy: 0.8299854934375169
Energy: 0.7583230743668871
Energy: 1.0749877891737338
Energy: 1.360554691504692
Energy: 1.0749877899353952
Energy: 1.6033080947088882
Energy: 1.339115768157481
Energy: 1.4548380392924387
Energy: 1.3391157673503642
Energy: 1.5435050551646496
Energy: 1.390426805962231
Energy: 1.401488648754614
Energy: 1.3904268059638554
Energy: 1.3441490738358552
Energy: 1.3779286416316816
Energy: 1.8453407090628355
Energy: 1.3779286416251826
Energy: 1.3321011279754642
Energy: 1.6661304408711715
Energy: 1.8342336624459095
Energy: 1.6661304408922926

minimum gb energy = 0.6331528636228784 eV
minimum distance =  2.55832748529934 Angstroms
sigma value = 25


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

Energy: 0.622771521888218
Energy: 0.9996728432495554
Energy: 1.2580915764051257
Energy: 0.9996728431988652
Energy: 0.9560053538172237
Energy: 1.1068802867364134
Energy: 1.1901996346072563
Energy: 1.1068802867795489
Energy: 1.2364416503776923
Energy: 1.0957020507059612
Energy: 0.8220365394854396
Energy: 1.0957020507059612
Energy: 1.2927437316637465
Energy: 1.244116290722835
Energy: 1.2644300640141097
Energy: 1.244116290722835
Energy: 0.9838433560821802
Energy: 1.3193079565469121
Energy: 1.45616758927448
Energy: 1.3193079564809977
Energy: 1.300272875529044
Energy: 1.421943363845352
Energy: 1.4717512482704735
Energy: 1.4219433638466208
Energy: 1.1876330383774438
Energy: 1.3397434762603864
Energy: 1.2645590319854383
Energy: 1.3397434762591174
Energy: 1.6156739686967325
Energy: 1.4696127921760818
Energy: 1.4942847173185958
Energy: 1.4696127921824254
Energy: 1.1855112484999242
Energy: 1.35552716160501
Energy: 1.335934835092382
Energy: 1.3555271616062785
Energy: 1.4807702373972165
Energy: 1.66989615668094
Energy: 1.3327172186703484
Energy: 1.669896156682209
Energy: 1.1315655699625762
Energy: 1.35501355012463
Energy: 1.4509431084286846
Energy: 1.3550135501220926
Energy: 1.4742855425632662
Energy: 1.4782972488289918
Energy: 1.4913302018504928
Energy: 1.4782972488289918
Energy: 1.208778051358076
Energy: 1.3498143023830884
Energy: 1.219261717608162
Energy: 1.3498143023830884
Energy: 1.3996794882218007
Energy: 1.5711593883780042
Energy: 1.2893115265685042
Energy: 1.571159388379273
Energy: 1.010614897982959
Energy: 1.3487920330972079
Energy: 1.4447091810084551
Energy: 1.3487920330984766
Energy: 1.2864799708770154
Energy: 1.3226615326637636
Energy: 1.3612285342786627
Energy: 1.32266153265742
Energy: 1.2411995854785098
Energy: 0.9754045733063804
Energy: 0.9200500743717296
Energy: 0.9754045728321198
Energy: 0.8950524274892532
Energy: 1.0293580890127958
Energy: 0.9378464079116892
Energy: 1.0293580890127958
Energy: 0.7133353758999451
Energy: 0.9813441051899177
Energy: 1.4581868037254675
Energy: 0.9813441051911862
Energy: 0.9517044694788214
Energy: 0.9470578848779748
Energy: 1.190694488917354
Energy: 0.9470578848805122
Energy: 1.2407994838902494
Energy: 0.9929075600218664
Energy: 0.9217982287560886
Energy: 0.9929075691929621
Energy: 1.2874347417557095
Energy: 1.269391938490955
Energy: 0.9428186353908675
Energy: 1.2693919384896863
Energy: 1.0062304198964487
Energy: 1.3378600211333103
Energy: 1.4566995913354004
Energy: 1.3378600211358476
Energy: 1.301267028136036
Energy: 1.3329191676531735
Energy: 1.4539689385115597
Energy: 1.332919167654442
Energy: 1.1634267326404255
Energy: 1.350748653747098
Energy: 1.2416068644349234
Energy: 1.350748653747098
Energy: 1.5741504582498829
Energy: 1.4566837902602816
Energy: 1.2830553273622796
Energy: 1.4566837903224474

minimum gb energy = 0.622771521888218 eV
minimum distance =  2.56443227607726 Angstroms
sigma value = 41


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

Energy: 0.6278002249379357
Energy: 0.8892533531222083
Energy: 1.100904467006483
Energy: 0.8892533531232485
Energy: 0.9013613441239149
Energy: 1.0450277536062635
Energy: 1.0098477662863865
Energy: 1.0450277536052235
Energy: 1.0444242824648495
Energy: 1.03391829956923
Energy: 0.6785336513032791
Energy: 1.0339182995775507
Energy: 1.1589723807386645
Energy: 1.1803548220218485
Energy: 1.0085382790292508
Energy: 1.1803548220208084
Energy: 0.8831129592129621
Energy: 1.0653164875844494
Energy: 1.2038837604383166
Energy: 1.0653164875834094
Energy: 1.2568214153119126
Energy: 1.3029495362869947
Energy: 1.1632594516869137
Energy: 1.3029495362880348
Energy: 1.3315417835843746
Energy: 1.2592803129154313
Energy: 0.9556252002289026
Energy: 1.259280312913351
Energy: 1.3147131679717732
Energy: 1.4165845540165467
Energy: 1.167566701334024
Energy: 1.4165845540217472
Energy: 1.0908591953704225
Energy: 1.2609559297915984
Energy: 1.16023380131104
Energy: 1.2609559297905581
Energy: 1.340813998144246
Energy: 1.5507076231030301
Energy: 1.411881076535497
Energy: 1.5507076231071908
Energy: 1.301114565878979
Energy: 1.262199185208797
Energy: 1.0916068906733225
Energy: 1.2621991852108774
Energy: 1.3798668911105543
Energy: 1.5567453165409444
Energy: 1.3672903345367335
Energy: 1.5567453165409444
Energy: 1.284268177278288
Energy: 1.2640603806182684
Energy: 1.1680877056516827
Energy: 1.2640603806193085
Energy: 1.3257660573973027
Energy: 1.4147640316087555
Energy: 1.411704462857759
Energy: 1.4147640316077152
Energy: 1.30838388156134
Energy: 1.2546015437901568
Energy: 1.230147254534681
Energy: 1.2546015437911966
Energy: 1.2738781937351764
Energy: 1.416301982020147
Energy: 1.3501746148918745
Energy: 1.4163019820191072
Energy: 1.3449420832493009
Energy: 1.2541083014036858
Energy: 1.1224280408255307
Energy: 1.2541083013984853
Energy: 1.10393620006605
Energy: 1.223483752780287
Energy: 1.1874916365246813
Energy: 1.2234837527698859
Energy: 0.9827537511064772
Energy: 1.0655052812790096
Energy: 1.2326442061405296
Energy: 1.06550528128109
Energy: 1.027612231712463
Energy: 1.0407881407470798
Energy: 1.1761438563767348
Energy: 1.0407881407449995
Energy: 1.040030823353148
Energy: 1.0321614511331703
Energy: 0.7962341359836975
Energy: 1.0321614511290096
Energy: 0.8978565582062367
Energy: 0.8568911148593822
Energy: 1.018134041895942
Energy: 0.856891114857302
Energy: 0.6966178236232731
Energy: 0.8921231221663738
Energy: 1.2240840688879686
Energy: 0.892123122167414
Energy: 0.887930034719431
Energy: 0.8779112086510337
Energy: 1.0542012307843127
Energy: 0.8779112086635151
Energy: 1.0546872475170923
Energy: 1.0242498760777656
Energy: 0.8155491237883044
Energy: 1.024249876063204
Energy: 1.1562622530349758
Energy: 0.9758647323512956
Energy: 1.0110039088524363
Energy: 0.9758647322847278
Energy: 0.9828320148607127
Energy: 1.0642836419273742
Energy: 1.2231643133432903
Energy: 1.0642836419273742
Energy: 1.0296908117726207
Energy: 1.1956833606912913
Energy: 1.3054006024240168
Energy: 1.19568336068089
Energy: 1.3294988558642549
Energy: 1.2535457178158989
Energy: 1.1230891210025125
Energy: 1.2535457178200593
Energy: 1.394534026007197
Energy: 1.241911527066503
Energy: 1.1673791847188189
Energy: 1.241911527066503
Energy: 1.3092727217246336
Energy: 1.2571580826784836
Energy: 1.245497115052498
Energy: 1.2571580826795237
Energy: 1.285631815844695
Energy: 1.4225606158653146
Energy: 1.555233054756648
Energy: 1.4225606158653146

minimum gb energy = 0.6278002249379357 eV
minimum distance =  2.56706001057557 Angstroms
sigma value = 15


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

Energy: 0.6319377626269203
Energy: 0.8650110226543524
Energy: 0.9688762617008035
Energy: 0.8650110226578769
Energy: 0.864731930823579
Energy: 0.9360682628634542
Energy: 0.935805359585364
Energy: 0.9360682628652164
Energy: 0.9039184743557244
Energy: 0.909320049079667
Energy: 0.7760246576116594
Energy: 0.9093200491246047
Energy: 1.0112246203837647
Energy: 1.0347406281320823
Energy: 0.9343876489248257
Energy: 1.0347406281400122
Energy: 0.8189164883105796
Energy: 1.0274410597557617
Energy: 1.1361834782913323
Energy: 1.0274410597346146
Energy: 1.023939976421127
Energy: 1.1315912349843467
Energy: 1.1311700951568533
Energy: 1.1315912349825843
Energy: 1.2435894053232863
Energy: 1.042449654116757
Energy: 0.8418016696242415
Energy: 1.042449654116757
Energy: 1.154628858805269
Energy: 1.2060075332208957
Energy: 1.1432735365325322
Energy: 1.206007533221777
Energy: 0.9556296120598076
Energy: 1.176785329904289
Energy: 1.1059622929710327
Energy: 1.1767853299086946
Energy: 1.1482644214601339
Energy: 1.2372788709002642
Energy: 1.2570401748484519
Energy: 1.2372788709020266
Energy: 1.2231179170829691
Energy: 1.1674432711891427
Energy: 0.9552922231454868
Energy: 1.1674432711864995
Energy: 1.2557976715844832
Energy: 1.3761013699209992
Energy: 1.2162656084828543
Energy: 1.376101369920118
Energy: 1.037639966639329
Energy: 1.1803666458921236
Energy: 1.053012744393455
Energy: 1.1803666458859556
Energy: 1.25549621584199
Energy: 1.3955842656462942
Energy: 1.251107819700213
Energy: 1.3955842656533435
Energy: 1.160516096074464
Energy: 1.1820766933719313
Energy: 1.0020788593939975
Energy: 1.1820766933772182
Energy: 1.2557446782147603
Energy: 1.3957558901728824
Energy: 1.231481463299743
Energy: 1.3957558901720013
Energy: 1.1574133882002022
Energy: 1.1766587531746886
Energy: 1.0239914630505949
Energy: 1.1766587531711643
Energy: 1.2229581628086856
Energy: 1.290112890845023
Energy: 1.1643086883012146
Energy: 1.2901128908397363
Energy: 1.0158416001156187
Energy: 1.1739094518526643
Energy: 1.1097950190581143
Energy: 1.1739094518482587
Energy: 1.1575522372343519
Energy: 1.2652187572697404
Energy: 1.1418011942830242
Energy: 1.2652187572715026
Energy: 1.1650201533714677
Energy: 1.0503521854756837
Energy: 0.9013406949712487
Energy: 1.050352185477446
Energy: 1.07485359663796
Energy: 1.0250971512158724
Energy: 1.0018447813208669
Energy: 1.0250971512114668
Energy: 0.8760998541666314
Energy: 1.0258909366038214
Energy: 1.1409127227688631
Energy: 1.0258909366064648
Energy: 1.0024800687705593
Energy: 0.9505429056596876
Energy: 0.9668175594228695
Energy: 0.9505429056658554
Energy: 0.9013759919927619
Energy: 0.9078867566476344
Energy: 0.7693825270857627
Energy: 0.9078867566097458
Energy: 0.8300662523197837
Energy: 0.821171412436416
Energy: 0.8977082819101109
Energy: 0.821171412436416
Energy: 0.7107334680402672
Energy: 0.8677615356697215
Energy: 1.1532334598908558
Energy: 0.8677615356776516
Energy: 0.8112792341366762
Energy: 0.8455757236483554
Energy: 0.9379484905940569
Energy: 0.8455757236518799
Energy: 0.9053347035416386
Energy: 0.9158806358466073
Energy: 0.7669348012248846
Energy: 0.9158806358395581
Energy: 1.0487040459452521
Energy: 0.9597458652380417
Energy: 0.9208477141103265
Energy: 0.9597458652371604
Energy: 0.8709558195932783
Energy: 1.0270478142440773
Energy: 1.1367267441090263
Energy: 1.0270478142467205
Energy: 1.0287471009228102
Energy: 1.0927156468613586
Energy: 1.1316505332175695
Energy: 1.092715646864002
Energy: 1.2480257838091726
Energy: 1.0505451343440015
Energy: 0.8997904340993657
Energy: 1.0505451343448826
Energy: 1.2399433194955065
Energy: 1.1403917873918714
Energy: 1.0109180079568292
Energy: 1.1403917873927525
Energy: 1.0202673944789764
Energy: 1.1775041405694395
Energy: 1.285947165196338
Energy: 1.177504140572083
Energy: 1.1488716011790718
Energy: 1.2748555746425427
Energy: 1.2573109243599987
Energy: 1.2748555746416617
Energy: 1.2492855062240869
Energy: 1.1767439660726495
Energy: 1.0251542597255185
Energy: 1.1767439660735306

minimum gb energy = 0.6319377626269203 eV
minimum distance =  2.56829239763537 Angstroms
sigma value = 85


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

Energy: 0.723003430356571
Energy: 0.7808189214824985
Energy: 0.9062104939779979
Energy: 0.7808189214832628
Energy: 0.6141997861731787
Energy: 0.8154066982171446
Energy: 0.7184169453904963
Energy: 0.8154066982186732
Energy: 0.8219850882236707
Energy: 0.7622439484191279
Energy: 0.7407337594341511
Energy: 0.7622439484175995
Energy: 0.7629864418020397
Energy: 0.8365312790522802
Energy: 0.7099483842955532
Energy: 0.8365312790545729
Energy: 0.7351459182947382
Energy: 0.8003193195634356
Energy: 0.9450556921076673
Energy: 0.8003193195664924
Energy: 0.7510614654492833
Energy: 0.821388589365653
Energy: 0.7952289965203783
Energy: 0.8213885893664171
Energy: 1.0506277943869313
Energy: 0.8141372838715226
Energy: 0.7028191125033364
Energy: 0.8141372838738153
Energy: 0.8685140193969388
Energy: 0.9085471970781994
Energy: 0.7852962168313423
Energy: 0.9085471974731192
Energy: 0.7207166251640913
Energy: 0.8755980647708744
Energy: 1.0715173221038397
Energy: 0.8755980647685819
Energy: 0.8744517905639085
Energy: 0.9903766152002904
Energy: 0.8541308652009144
Energy: 0.9903766151987619
Energy: 0.9391427779663463
Energy: 0.872926227765019
Energy: 0.763460783407045
Energy: 0.8729262277673118
Energy: 1.0245996292228268
Energy: 1.083278389756262
Energy: 0.8773892117104632
Energy: 1.083278389756262
Energy: 0.7559530519570985
Energy: 0.9003510466265581
Energy: 1.0749721559203094
Energy: 0.9003510466288507
Energy: 0.945471653981644
Energy: 1.258626259085635
Energy: 1.0219383131904778
Energy: 1.2586262590848707
Energy: 0.8569388699981146
Energy: 0.9010982989548435
Energy: 0.893395776137364
Energy: 0.9010982989571361
Energy: 1.0168321712461625
Energy: 1.270054742058092
Energy: 0.985134821808122
Energy: 1.2700547420603847
Energy: 0.7552155376200653
Energy: 0.8773605878463532
Energy: 0.9046106772954217
Energy: 0.8773605878425322
Energy: 0.9473553459054788
Energy: 1.2697609921863067
Energy: 1.0228118829625135
Energy: 1.2697609921878352
Energy: 0.7440228621269785
Energy: 0.8987027739964624
Energy: 0.9511715709326855
Energy: 0.8987027739972265
Energy: 0.9277636267298929
Energy: 1.0941026405586602
Energy: 0.9076733005329802
Energy: 1.0941026405563676
Energy: 0.9371119895380954
Energy: 0.8919544315781687
Energy: 0.7456666285887389
Energy: 0.891954431578933
Energy: 0.8735138309998525
Energy: 1.081609518656167
Energy: 0.8731844927087884
Energy: 1.0816095186584247
Energy: 0.709211425002766
Energy: 0.8733040568981689
Energy: 1.0868077756078314
Energy: 0.8733040568996975
Energy: 0.7606793823053347
Energy: 0.8605652079008692
Energy: 0.8037990442233567
Energy: 0.8605652079039261
Energy: 1.0573735665475967
Energy: 0.8739227136110361
Energy: 0.7108465464880224
Energy: 0.8739227137775631
Energy: 0.7499123135911661
Energy: 0.7962404982073261
Energy: 0.7925860078856081
Energy: 0.7962404982065618
Energy: 0.5931931287082558
Energy: 0.821105701160535
Energy: 0.9474253908030587
Energy: 0.8211057011620634
Energy: 0.7104888526317745
Energy: 0.77129651059382
Energy: 0.6493067258233263
Energy: 0.7712965105846495
Energy: 0.8235932171695132
Energy: 0.6849041301163968
Energy: 0.5857616428141753
Energy: 0.6849041483452697
Energy: 0.6084788788222536
Energy: 0.7010257180164816
Energy: 0.6970271329977613
Energy: 0.7010257180111322
Energy: 0.47860385280822537
Energy: 0.6367579900986167
Energy: 0.9475421714131091
Energy: 0.6367579901054945
Energy: 0.6000881060259543
Energy: 0.7704955665431211
Energy: 0.647017787118671
Energy: 0.7704955665438854
Energy: 0.8241263152683076
Energy: 0.6806727455140807
Energy: 0.5811213372191503
Energy: 0.680672745518666
Energy: 0.7876064730029361
Energy: 0.7639724049969138
Energy: 0.7088327872156274
Energy: 0.7639724049992064
Energy: 0.5961378021003413
Energy: 0.8215279408938765
Energy: 0.94841805958667
Energy: 0.8215279408931123
Energy: 0.7221143165357402
Energy: 0.8251035757551229
Energy: 0.8528095712261626
Energy: 0.8251035757551229
Energy: 1.0457250902592392
Energy: 0.8836715532442064
Energy: 0.7087347110093846
Energy: 0.8836715532380929
Energy: 0.8684220523064328
Energy: 0.8799385077154773
Energy: 0.7652051408516327
Energy: 0.8799385077162416
Energy: 0.7087915051253343
Energy: 0.8818051302875364
Energy: 1.068387440329352
Energy: 0.8818051302890647
Energy: 0.7945796891671595
Energy: 0.899977440030938
Energy: 1.020268703879199
Energy: 0.8999774400324664
Energy: 1.0048403057899995
Energy: 0.8963754616465124
Energy: 0.7448810243678115
Energy: 0.8963754616457483
Energy: 1.0232706091649875
Energy: 1.0770037773805898
Energy: 0.8770356213161036
Energy: 1.0770037773790617
Energy: 0.7429680136269071
Energy: 0.8828961459557012
Energy: 1.0748923351426205
Energy: 0.8828961459579938

minimum gb energy = 0.47860385280822537 eV
minimum distance =  2.56735643400357 Angstroms
sigma value = 113


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

Energy: 0.019614785741468944
Energy: 0.020254985882460077
Energy: 1.4753634443876755
Energy: 0.02025498588301492
Energy: 0.021100340588535875
Energy: 1.2297528522060936
Energy: 0.02110034058912335
Energy: 1.229752852202634
Energy: -2.1767664825710464
Energy: 0.020254985882460077
Energy: 0.019614785741468944
Energy: 0.02025498588301492
Energy: 0.021100340589678197
Energy: 1.2297528522101082
Energy: 0.02110034058912335
Energy: 1.2297528522078236
Energy: 0.019614785741468944
Energy: 0.02025498588301492
Energy: 1.4753634437003886
Energy: 0.020254985882460077
Energy: 0.021100340588535875
Energy: 1.2297528522095205
Energy: 0.02110034058912335
Energy: 1.229752852202634

minimum gb energy = -2.1767664825710464 eV
minimum distance =  2.7018531872687 Angstroms
sigma value = 1