Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839400052
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.17466493497198e-19, 4.1841964320553797e-19, 4.93795645128702e-19, 5.548081335280559e-19, 6.0612585111507595e-19, 6.50240182555632e-19, 6.886683891221219e-19, 7.224246486238679e-19, 7.52225134016268e-19, 7.786001657651759e-19, 8.019599010888959e-19, 8.22624775314228e-19, 8.408559432325139e-19, 8.56869698689344e-19, 8.70843883291092e-19, 8.82930703817988e-19, 8.932631409306539e-19, 9.019533469934699e-19, 9.09100656957744e-19, 9.14791588361712e-19, 9.19107852213708e-19, 9.22115137755726e-19, 9.2387913422976e-19, 9.24455917818e-19, 9.23834273284008e-19, 9.218155307251679e-19, 9.181401375267718e-19, 9.12498873598458e-19, 9.0451682960787e-19, 8.93745396097488e-19, 8.796382308351179e-19, 8.61527226164382e-19, 8.38600078531842e-19, 8.09845814481444e-19, 7.74013134062034e-19, 7.2953510852556e-19, 6.744362540823e-19, 6.061931425337039e-19, 5.2156457054919e-19, 4.1633040487480194e-19, 2.8494070565036395e-19, 1.199791574547534e-19, -8.859588176562479e-20, -3.5464340011253396e-19, -6.97626158682816e-19, -1.1455482824268298e-18, -1.73969145449622e-18, -2.5428465793540796e-18, -3.6539240315004e-18, -5.2355767828188596e-18, -7.56973985559444e-18, -1.117848250601604e-17, -1.71147712397148e-17, -2.77626769316154e-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: 0.018953245830522884
Energy: 1.249879644892903
Energy: 1.2341593621579177
Energy: 0.019248033219983574
Energy: 1.242057294025414
Energy: 0.019446465921171305
Energy: 1.2498796448923986
Energy: 1.2126892581345725
Energy: 0.7039288262953517
Energy: 0.7050596874616516
Energy: 1.203584708860074
Energy: 0.7130981449720886
Energy: 1.2341593621579177
Energy: 0.7039288262945801
Energy: 0.168881697929864
Energy: 0.019574522193367687
Energy: 0.7054171536839451
Energy: 0.16852156843801666
Energy: 0.01924803321971651
Energy: 0.7050596874613846
Energy: 0.019574522193634748
Energy: 0.019442587470338422
Energy: 0.7058260868112126
Energy: 0.01951718644072248
Energy: 1.2420572940259484
Energy: 1.2035847088598068
Energy: 0.7054171536821351
Energy: 0.7058260868086014
Energy: 1.1929494946038484
Energy: 0.7052482619117216
Energy: 0.019446465921438373
Energy: 0.7130981449718213
Energy: 0.16852156843697808
Energy: 0.019517186440218028
Energy: 0.7052482619132944
Energy: 0.019359437320748317

minimum gb energy = 0.018953245830522884 eV
minimum distance =  2.76738616879697 Angstroms
sigma value = 1


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

Energy: 2.2463806629847936
Energy: 2.519580330159983
Energy: 1.9395621866735822
Energy: 2.2495583691602645
Energy: 2.5193074934698267
Energy: 2.0696794054263217
Energy: 2.2397769253404824
Energy: 1.4285849484130078
Energy: 1.4287244987970968
Energy: 2.1214163091937994
Energy: 1.4701970825072943
Energy: 1.5330078721117488
Energy: 2.2365709729331402
Energy: 1.5189803284498749
Energy: 1.5189412500838655
Energy: 2.2305258677550803
Energy: 1.5194142972719737
Energy: 1.489920222645662
Energy: 2.384249424584192
Energy: 2.266592412227345
Energy: 2.0158646869269665
Energy: 2.3863722387414295
Energy: 1.9793419332463924
Energy: 1.915081221394106
Energy: 2.1428175849964766
Energy: 1.613631724471738
Energy: 1.643382990322731
Energy: 2.005979332418594
Energy: 1.6325876059779834
Energy: 1.6091133835805627
Energy: 2.0441107459800545
Energy: 1.5557230874738384
Energy: 1.5557599687260346
Energy: 2.0447273321743573
Energy: 1.655609594035037
Energy: 1.5561627868424444
Energy: 2.0757104174026564
Energy: 1.8614623194893674
Energy: 1.8341447824148298
Energy: 2.0786397405307127
Energy: 2.0118842625325866
Energy: 1.7420157383581012
Energy: 2.09494101093236
Energy: 1.7411872026591313
Energy: 1.6602091458365484
Energy: 2.013423120520439
Energy: 1.8667264179702803
Energy: 1.7934788764668261
Energy: 1.7030054784298507
Energy: 1.6089583785759063
Energy: 1.5088497876616178
Energy: 1.6420319797091005
Energy: 1.911733520777456
Energy: 1.537002768957218
Energy: 1.7089259782793085
Energy: 1.733426720360291
Energy: 1.6597091168351008
Energy: 1.7120040495031132
Energy: 1.8456759323227596
Energy: 1.6611993458669216
Energy: 2.2835383011143673
Energy: 2.0384193282027137
Energy: 1.8159365864746837
Energy: 2.2832959533279977
Energy: 2.192532755244225
Energy: 2.0215306745101675
Energy: 1.55617190201609
Energy: 1.7193212588973459
Energy: 1.4305753457404502
Energy: 1.4631872477538659
Energy: 2.0888055894444517
Energy: 1.5045038923298002
Energy: 1.4702218440112877
Energy: 1.639461934321653
Energy: 1.40942300346515
Energy: 1.4288677484660663
Energy: 1.7663151723072184
Energy: 1.455964304359677
Energy: 1.5395691201965425
Energy: 1.9522818742490704
Energy: 1.9448142041853194
Energy: 1.540205994980014
Energy: 2.385778625537244
Energy: 2.15605572638196
Energy: 1.5195359908315869
Energy: 1.643425982898863
Energy: 1.4974389000987567
Energy: 1.5208075117679005
Energy: 1.8611173481119085
Energy: 1.4976044113381541
Energy: 1.5881828577751682
Energy: 1.6640827056049599
Energy: 1.4729015077402663
Energy: 1.5882965274381542
Energy: 2.079365103164231
Energy: 1.5307226173347857
Energy: 2.1191610870619693
Energy: 1.824838617477455
Energy: 1.735694630072741
Energy: 2.07000084518926
Energy: 2.0422282404798393
Energy: 1.766133542748054
Energy: 1.7864903946667159
Energy: 1.7394555560978169
Energy: 1.7561206707264558
Energy: 1.782702270931588
Energy: 1.9499343125373239
Energy: 1.6563847075385871
Energy: 1.9496061540575866
Energy: 1.5566842697609529
Energy: 1.558148925100075
Energy: 1.9522429032993673
Energy: 1.8519557546947116
Energy: 1.6055369513495195
Energy: 2.0266674510591383
Energy: 1.836828339693407
Energy: 1.7654254274082486
Energy: 1.9565962032146758
Energy: 1.8795350274730092
Energy: 1.762454883752797
Energy: 2.192373867067628
Energy: 2.042299812325496
Energy: 1.9358296950181073
Energy: 2.1951408723131234
Energy: 2.115078539236095
Energy: 1.8232212895938351
Energy: 2.1162085768082717
Energy: 1.5443294784502803
Energy: 1.5440562811066698
Energy: 2.1193686482787517
Energy: 1.5556427901592262
Energy: 1.5264975977489
Energy: 2.2796584275773886
Energy: 1.5412017183534452
Energy: 1.526412051909645
Energy: 2.17480642818915
Energy: 1.5409932060130223
Energy: 1.6280153453218555

minimum gb energy = 1.40942300346515 eV
minimum distance =  2.52394339192514 Angstroms
sigma value = 33


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

Energy: 2.4695792015440996
Energy: 2.343047637145288
Energy: 1.9642615046110066
Energy: 2.3936220020720933
Energy: 2.323608377247997
Energy: 2.0097217299119152
Energy: 2.332230241717574
Energy: 1.4514186991400262
Energy: 1.4802914953222246
Energy: 2.125261166086
Energy: 1.45141577472475
Energy: 1.7352146648944895
Energy: 2.149606627371981
Energy: 1.5353855245836565
Energy: 1.5278637839302756
Energy: 2.1484999030631515
Energy: 1.5278576712957264
Energy: 1.5135323172152784
Energy: 2.0770295706712543
Energy: 2.4424053864919637
Energy: 2.4268820950393994
Energy: 2.075996999096503
Energy: 2.415456084738449
Energy: 1.7798765039243314
Energy: 2.2325635696363504
Energy: 1.66145244597926
Energy: 1.6622945855976965
Energy: 2.253724277020323
Energy: 1.6923347261050539
Energy: 1.6675959243596359
Energy: 2.143048940430829
Energy: 1.7543680560857915
Energy: 1.6477838325168235
Energy: 2.126136681968301
Energy: 1.7870167338360172
Energy: 1.6264942191259542
Energy: 2.1498580403986494
Energy: 1.9694234628782092
Energy: 1.8548274036743757
Energy: 2.1452731222254986
Energy: 2.023262819961124
Energy: 1.935417085163948
Energy: 2.1493834093211546
Energy: 1.626209320572285
Energy: 1.6208640590198795
Energy: 1.8934804378947019
Energy: 1.7069619299424637
Energy: 1.7104730627507783
Energy: 1.7221945278803186
Energy: 1.7290284208773365
Energy: 1.6100696798622298
Energy: 1.7227043142725271
Energy: 1.9321979966878056
Energy: 1.64769068521994
Energy: 1.7228135886695761
Energy: 1.8428443639393062
Energy: 1.8317538097220165
Energy: 1.7213311001100808
Energy: 2.0973956513207628
Energy: 1.7015343717430376
Energy: 2.2000375572851203
Energy: 1.9533903530274008
Energy: 1.95252804636315
Energy: 1.9461343663625794
Energy: 2.3971242612715775
Energy: 1.9578196560879428
Energy: 1.6623314603779853
Energy: 1.811987936631091
Energy: 1.696514381906521
Energy: 1.6623785666660096
Energy: 2.2602631318236797
Energy: 1.5941395717886155
Energy: 1.540876266202881
Energy: 1.6539725828991796
Energy: 1.5474632684549317
Energy: 1.5400469324082728
Energy: 1.6947548010233735
Energy: 1.5665241293383119
Energy: 2.487523376734864
Energy: 1.8179286614743593
Energy: 1.818584155547275
Energy: 2.4038851116366655
Energy: 2.0769453660613006
Energy: 1.7713676424407696
Energy: 1.6901661042379508
Energy: 1.6594585858020994
Energy: 1.663669842121689
Energy: 1.6945666505053938
Energy: 2.204947118587738
Energy: 1.6649860218390446
Energy: 1.73408680109621
Energy: 1.9021787980510854
Energy: 1.558908613132043
Energy: 1.7194192140962945
Energy: 2.115936134430903
Energy: 1.614033656768953
Energy: 2.0753913918871714
Energy: 1.84944085114858
Energy: 1.8555559774930355
Energy: 2.060448110323311
Energy: 2.098791532991118
Energy: 1.8512730777825184
Energy: 1.706531212313457
Energy: 1.8867232280715145
Energy: 1.8885929021165646
Energy: 1.7066983689765949
Energy: 1.8854886765806151
Energy: 1.6092297036044183
Energy: 1.8660940847044267
Energy: 1.659334282339675
Energy: 1.6844947009943205
Energy: 1.8637691411070714
Energy: 1.7248094626773491
Energy: 1.603601214603671
Energy: 2.257133739049099
Energy: 1.7310255031936357
Energy: 1.7204345407856905
Energy: 2.066387277180768
Energy: 1.7293272748950792
Energy: 1.748348459279004
Energy: 2.4156077111763907
Energy: 2.190581548064294
Energy: 1.9830673515214867
Energy: 2.4177826031638086
Energy: 2.136410972305413
Energy: 1.9527461708382143
Energy: 2.2577714806021816
Energy: 1.663439773551187
Energy: 1.5799746347973036
Energy: 2.261122136710557
Energy: 1.6637201593825963
Energy: 1.6962902075005393
Energy: 2.302947077842812
Energy: 1.5428221992229945
Energy: 1.5612861063881447
Energy: 2.1312745928373666
Energy: 1.5421996776137128
Energy: 1.5698209676280126
Energy: 2.1137080349019053
Energy: 2.407929146996699
Energy: 2.4311725442549865
Energy: 2.1144977171750376
Energy: 2.3845727180389695
Energy: 1.820747921977138
Energy: 2.297044846598992
Energy: 1.6607481809161804
Energy: 1.664212746640594
Energy: 2.2090771261302504
Energy: 1.6953822889470924
Energy: 1.6541458196853644
Energy: 2.135798416568612
Energy: 1.693237604503163
Energy: 1.6149729607461392
Energy: 2.125144112557569
Energy: 1.719883719534598
Energy: 1.6131840264149804
Energy: 2.1015111000481133
Energy: 2.0053362320597565
Energy: 1.9392779327700118
Energy: 2.0949520890075894
Energy: 2.045339354642136
Energy: 1.8480944320241717
Energy: 2.1299151254005295
Energy: 1.6675996383242635
Energy: 1.6079399597260022
Energy: 2.112724077001414
Energy: 1.706654033369951
Energy: 1.7757178932839235
Energy: 1.723357229660524
Energy: 1.7079392523315677
Energy: 1.6620535507553504
Energy: 1.7233608583839108
Energy: 1.783500490838115
Energy: 1.6910403075638243
Energy: 1.6466129438316843
Energy: 1.7835323701038879
Energy: 1.828982646635119
Energy: 1.6464313115782132
Energy: 1.9146511801551265
Energy: 1.6389441267677727
Energy: 1.9415678792535704
Energy: 1.9535744933374548
Energy: 1.9528993841796294
Energy: 1.943773506802001
Energy: 2.3960463086024366
Energy: 1.9242809986219016
Energy: 1.663618390070384
Energy: 1.9031549169269741
Energy: 1.696993333739666
Energy: 1.663899655595863
Energy: 2.3032317126051165
Energy: 1.5971990309710338
Energy: 1.5401462902039649
Energy: 1.6863538843770207
Energy: 1.6859616092511973
Energy: 1.539997020680061
Energy: 2.0985704347295986
Energy: 1.5691183305382577
Energy: 2.3482145292069823
Energy: 1.8190324344009778
Energy: 1.8168608531692523
Energy: 2.3477295334821835
Energy: 2.11634139757119
Energy: 1.7560453827249418
Energy: 1.7043187862925144
Energy: 1.660416418996353
Energy: 1.6591419265743417
Energy: 1.6931501425383961
Energy: 1.8783966130310759
Energy: 1.651624852256784
Energy: 1.7291290286230216
Energy: 1.8796818907103043
Energy: 1.6291612352653586
Energy: 1.7171003569442658
Energy: 2.122669323009873
Energy: 1.6139036291095838
Energy: 2.072606247940446
Energy: 1.856595885329277
Energy: 1.8498444358785833
Energy: 2.0368365869268064
Energy: 2.096358877704374
Energy: 1.854966276725572
Energy: 1.8266995728838789
Energy: 1.8649158487363404
Energy: 1.866400693291087
Energy: 1.8260966154509868
Energy: 2.0763937524572267
Energy: 1.8657963477518695
Energy: 1.786644741690456
Energy: 1.654625692005465
Energy: 1.615408240148406
Energy: 1.783535399586728
Energy: 1.7069032043271175
Energy: 1.6888090608327513
Energy: 2.2497189142240472
Energy: 1.6133712338353317
Energy: 1.5546172463629717
Energy: 1.7728128261821903
Energy: 1.5839449562316064
Energy: 1.889571298378551
Energy: 2.375147382721958
Energy: 1.8385162166149571
Energy: 2.0185652819998827
Energy: 2.3978457738178793
Energy: 1.8219738787877564
Energy: 2.0146563595619513

minimum gb energy = 1.45141577472475 eV
minimum distance =  2.49016343803942 Angstroms
sigma value = 51


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

Energy: 2.229150868732154
Energy: 2.5963501612717166
Energy: 2.3449000051679345
Energy: 2.231977519082836
Energy: 2.5976942183596883
Energy: 1.8987471385498726
Energy: 2.2430144190417707
Energy: 1.5873477535662361
Energy: 1.517759328130834
Energy: 2.1703584656189836
Energy: 1.5873280620221069
Energy: 1.6428142931122873
Energy: 2.119789248277799
Energy: 1.5763198738895192
Energy: 1.5763209588778002
Energy: 2.1688029365733676
Energy: 1.5761466131954398
Energy: 1.503739115926579
Energy: 2.0148170583902525
Energy: 2.217179861646873
Energy: 2.1884068311566622
Energy: 2.0155609469877707
Energy: 2.0943644332805076
Energy: 1.8365804606938068
Energy: 2.119632172926713
Energy: 1.7576560595979522
Energy: 1.7516100130232337
Energy: 2.119934686571149
Energy: 1.839055037399734
Energy: 1.7910826435021867
Energy: 1.8675732369947182
Energy: 1.7709488063438201
Energy: 1.6863606094269106
Energy: 1.8686263977740165
Energy: 1.8092245946978895
Energy: 1.6256432414907036
Energy: 1.8409918829782947
Energy: 1.8656125198001725
Energy: 1.7521998794229527
Energy: 1.8399677091890236
Energy: 1.756256341924242
Energy: 1.790082766130422
Energy: 2.082580249975195
Energy: 2.1127146454401986
Energy: 1.8978488421429716
Energy: 2.082178685180538
Energy: 2.2051434799399723
Energy: 1.8950574928461137
Energy: 1.5896910496664356
Energy: 1.8831187458676355
Energy: 1.8747685295893217
Energy: 1.6613147090279352
Energy: 2.261699056783213
Energy: 1.5038220141981398
Energy: 1.5124184518479202
Energy: 1.7239605626122971
Energy: 1.5075516084555276
Energy: 1.512675755684274
Energy: 2.028872110488684
Energy: 1.5118057776080827
Energy: 2.5592537021110346
Energy: 2.1229788999607773
Energy: 2.1224877092752674
Energy: 2.560424020168027
Energy: 2.1872710788878353
Energy: 2.112679949152705
Energy: 1.614815394140428
Energy: 1.640731188163087
Energy: 1.5931236986740906
Energy: 1.614709077217704
Energy: 1.8803752758700394
Energy: 1.5931995351804507
Energy: 1.5872000427858473
Energy: 1.8837131621014722
Energy: 1.539459223548109
Energy: 1.5886223445881151
Energy: 2.1203865073113763
Energy: 1.5350371386141737
Energy: 1.98961035557883
Energy: 1.7918687321082984
Energy: 1.791665708133493
Energy: 1.768175730423148
Energy: 1.9467569040421742
Energy: 1.7877390960990545
Energy: 2.033330023017863
Energy: 2.0171174743461493
Energy: 1.926876403138409
Energy: 2.0045489344431053
Energy: 2.060540647149485
Energy: 1.9269343799486183
Energy: 1.8410586520597845
Energy: 1.6889204484091276
Energy: 1.6829258810348031
Energy: 1.8415243503792693
Energy: 1.6946295490788228
Energy: 1.725395980791225
Energy: 2.1838691307774103
Energy: 1.5756322318061642
Energy: 1.5443080361400854
Energy: 2.008792686701728
Energy: 1.5875100859808036
Energy: 1.670904404271487
Energy: 2.329381769323581
Energy: 1.654093766310812
Energy: 1.6922548961889272
Energy: 2.331373024169689
Energy: 1.6557178617518595
Energy: 1.7781951920428198

minimum gb energy = 1.503739115926579 eV
minimum distance =  2.53898868430246 Angstroms
sigma value = 19


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

Energy: 1.9477724710915758
Energy: 2.2111474770060524
Energy: 1.646392326675999
Energy: 1.8441848374490917
Energy: 2.21123457341778
Energy: 1.7370509084431813
Energy: 2.3118143622013836
Energy: 1.5015691547909762
Energy: 1.45201482011556
Energy: 1.950362046920926
Energy: 1.4587041485925318
Energy: 1.7972825875851501
Energy: 2.185012973352982
Energy: 1.565149924234996
Energy: 1.5477505245189802
Energy: 2.1499430172277543
Energy: 1.5480648555201728
Energy: 1.6003821976075463
Energy: 1.6508687535019635
Energy: 2.3258923702732277
Energy: 2.3888067629952014
Energy: 1.6494529806080163
Energy: 2.3253434195107636
Energy: 2.3797942483454424
Energy: 2.327810809901268
Energy: 1.7993083863858181
Energy: 1.8185766971199326
Energy: 2.1883816055680767
Energy: 1.7908392621580105
Energy: 1.8020150184862924
Energy: 1.7413403844512851
Energy: 1.4629152191950343
Energy: 1.7434642548167731
Energy: 1.741341060733357
Energy: 1.4633502923751731
Energy: 1.8141537881999934
Energy: 1.7411345763644857
Energy: 2.0541569335376155
Energy: 1.859426320658244
Energy: 1.7437872907042236
Energy: 2.0618182914665364
Energy: 1.8605486933438677
Energy: 1.976643133667109
Energy: 1.646520335176923
Energy: 1.646330812666853
Energy: 1.9813329595337692
Energy: 1.8433998417991988
Energy: 1.6067053546133947
Energy: 1.6697134747636746
Energy: 1.833520490521069
Energy: 1.7566343477732123
Energy: 1.6700564356048142
Energy: 2.015028771956335
Energy: 1.6153301568434069
Energy: 1.5748522276251462
Energy: 1.760784679808536
Energy: 1.7965052543903004
Energy: 1.5748843925328329
Energy: 2.0399388869802597
Energy: 1.7902950760828398
Energy: 1.6382653876715643
Energy: 1.6486385614587258
Energy: 1.5711597995872675
Energy: 2.257856136990352
Energy: 1.6509752180794879
Energy: 2.345110180358266
Energy: 2.0303896260392476
Energy: 1.8153368145186892
Energy: 1.8148114430770297
Energy: 1.7551021233147353
Energy: 2.106671561669755
Energy: 1.810943271340989
Energy: 1.405652737411402
Energy: 1.8445027956962345
Energy: 1.65404895881624
Energy: 1.4055439590414762
Energy: 1.8836945612374707
Energy: 1.653415982359372
Energy: 2.1627994062794604
Energy: 1.666573808334989
Energy: 1.717136337019001
Energy: 2.05295188311794
Energy: 1.7473607664007742
Energy: 1.8578990252223266
Energy: 2.0149123176435833
Energy: 1.9773935172596435
Energy: 1.8806949146225145
Energy: 2.019365035551359
Energy: 1.9769813497876059
Energy: 1.6859993831792195
Energy: 1.8418652345904503
Energy: 1.6724082570620467
Energy: 1.5725864467002988
Energy: 1.8428091102605546
Energy: 1.6721187552813128
Energy: 1.646258379289706
Energy: 2.1876502172371115
Energy: 1.530375338827397
Energy: 1.5673708343079473
Energy: 2.0708852944786287
Energy: 1.5298186608529092
Energy: 1.7490967627719893
Energy: 1.700197723460581
Energy: 1.615204951438589
Energy: 1.6150043610261915
Energy: 1.699226211811976
Energy: 1.575920841267286
Energy: 1.7668416102443147
Energy: 1.7604292644526698
Energy: 1.7867722462705
Energy: 1.787303878374731
Energy: 1.7603583438001296
Energy: 1.7529115685541223
Energy: 1.8139814361042081
Energy: 1.911183443945167
Energy: 1.405575567224134
Energy: 1.753528747830785
Energy: 1.911260085159034
Energy: 1.4053372152849515
Energy: 1.6608147286728991
Energy: 1.7437601709412156
Energy: 1.743562700782346
Energy: 1.6962290228145134
Energy: 1.7453139144246261
Energy: 1.745569910910271
Energy: 1.7080701681116164
Energy: 1.8432730957900436
Energy: 2.0650113872509377
Energy: 1.9683566323496176
Energy: 1.8432859159379855
Energy: 2.004077976395241
Energy: 1.9606373765241294
Energy: 1.7398067867134996
Energy: 1.6453628514394825
Energy: 1.6454871808244913
Energy: 1.7521653179054109
Energy: 1.8458983184038082
Energy: 1.6453228933174906
Energy: 1.5258386568447802
Energy: 1.8955306386478386
Energy: 1.7412374066526075
Energy: 1.5284431615756902
Energy: 2.0383818433401584
Energy: 1.7185250993868175
Energy: 1.5718395493260018
Energy: 1.779841167353066
Energy: 1.7912964131757647
Energy: 1.5745011054741205
Energy: 1.7715957296574483
Energy: 1.6085927951400956
Energy: 2.294643392892786
Energy: 1.6484248572223528
Energy: 1.6377487326278113
Energy: 2.269509024108642
Energy: 1.6494194634516455
Energy: 2.3643656415632477
Energy: 1.870579482731989
Energy: 1.8001115997269996
Energy: 1.8090011506679111
Energy: 1.8486565924580651
Energy: 2.101880503509339
Energy: 1.8238914315559422
Energy: 1.4634263262407625
Energy: 1.730171329173487
Energy: 1.8056821913765966
Energy: 1.463571683274333
Energy: 1.71732243297875
Energy: 1.7691058177799148
Energy: 2.145492014796298
Energy: 1.6571472679134394
Energy: 1.5862983339790453
Energy: 2.0167547893018223
Energy: 1.7172820641810742
Energy: 1.925253843962189
Energy: 1.9494828194296723
Energy: 1.7470442209589094
Energy: 1.6066818864076051
Energy: 1.8426640285898688
Energy: 1.876511227408705
Energy: 1.737014982099471

minimum gb energy = 1.4053372152849515 eV
minimum distance =  2.50611160435348 Angstroms
sigma value = 27


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

Energy: 1.5651269490493636
Energy: 2.5308342823154972
Energy: 1.9748520248376764
Energy: 1.5687036693421113
Energy: 2.5302528179554526
Energy: 2.158972527930515
Energy: 2.210698740819891
Energy: 1.5275786732414163
Energy: 1.527764866663849
Energy: 1.915841514312857
Energy: 1.5296144153700804
Energy: 1.529276615032998
Energy: 2.151667209429125
Energy: 1.4414245455704748
Energy: 1.4416351915503596
Energy: 1.741354844618502
Energy: 1.4405194568421922
Energy: 1.4764950734437121
Energy: 2.0762122003462062
Energy: 1.7747460480370683
Energy: 1.9067022077647617
Energy: 2.0795717499076654
Energy: 1.6503353494122097
Energy: 1.8352882897898675
Energy: 1.8319541175076324
Energy: 1.671932616762936
Energy: 1.5615878504868266
Energy: 1.7686906976519614
Energy: 1.7775953490024774
Energy: 1.7610909061584388
Energy: 1.4671518689746272
Energy: 1.4833532242223602
Energy: 1.483381723620381
Energy: 1.4671081257086596
Energy: 1.568027006465673
Energy: 1.6291625888120869
Energy: 1.5361528105648463
Energy: 1.5719179344237686
Energy: 1.516513496139567
Energy: 1.5356729436984229
Energy: 1.9492393984774363
Energy: 1.4560566540459503
Energy: 1.5281550809132816
Energy: 1.8260207002417868
Energy: 1.8296287089774188
Energy: 1.5279681008044121
Energy: 2.067599732471244
Energy: 1.8873221415808825
Energy: 1.9925021727537051
Energy: 1.9915529529365048
Energy: 2.0192664629228814
Energy: 1.9123868074148418
Energy: 2.1555312306243324
Energy: 1.7364499930133368
Energy: 1.4316745314410144
Energy: 1.6110795246459901
Energy: 1.5000565935431094
Energy: 1.4323512809935337
Energy: 1.5580036553840748
Energy: 1.4466126820658964
Energy: 1.6200181437573724
Energy: 1.394642186544678
Energy: 1.396264829121621
Energy: 1.5589726596821596
Energy: 1.430513844147546
Energy: 1.4191380093809647
Energy: 2.2248359729940743
Energy: 1.7301639184573454
Energy: 1.7297820976183975
Energy: 1.8170347455764428
Energy: 1.7535663692925527
Energy: 1.7274721794620849

minimum gb energy = 1.394642186544678 eV
minimum distance =  2.55347208441496 Angstroms
sigma value = 9


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

Energy: 2.397263623671769
Energy: 2.7348763334601998
Energy: 1.8833555867086946
Energy: 2.3988300735848442
Energy: 2.734860367421283
Energy: 2.040701331088682
Energy: 1.8136920603094044
Energy: 1.3095714962862848
Energy: 1.3097125727314913
Energy: 1.6050092387178918
Energy: 1.3093714301663046
Energy: 1.2873447953179078
Energy: 1.639786462214228
Energy: 1.20349472929906
Energy: 1.2179174082424429
Energy: 1.6423009280735978
Energy: 1.2034539191900075
Energy: 1.3414534165448908
Energy: 1.5559445200800661
Energy: 1.355608616245963
Energy: 1.5682769557426275
Energy: 1.5563070399366818
Energy: 1.4550208591743594
Energy: 1.4921632047402347
Energy: 1.8722758950072493
Energy: 1.753051554590034
Energy: 1.6747537586314827
Energy: 1.9035032173781616
Energy: 1.838446648975015
Energy: 1.4871402213152156
Energy: 1.4787645553215019
Energy: 1.726544985531504
Energy: 1.8990913988035207
Energy: 1.478980480175869
Energy: 1.8284835096522376
Energy: 1.7681241119782984
Energy: 1.357023292228158
Energy: 1.6928604882985943
Energy: 1.6866781635406563
Energy: 1.3602733620286926
Energy: 1.9314294339917384
Energy: 1.358972929426054
Energy: 1.3234086488065737
Energy: 1.4870191267530373
Energy: 1.761325126191454
Energy: 1.3244192236741843
Energy: 1.5526996260138015
Energy: 1.3999540600735743
Energy: 1.922026789963251
Energy: 1.7062539318638947
Energy: 1.6539473035624728
Energy: 1.9247580521918362
Energy: 1.8827891467471982
Energy: 1.647641381399779
Energy: 1.8385254870330905
Energy: 1.6481179791882097
Energy: 1.6374763369934802
Energy: 1.8320635395218237
Energy: 1.6500522738080834
Energy: 1.6400970536519681
Energy: 1.9145847814189918
Energy: 1.2936932871724116
Energy: 1.2930688484972488
Energy: 1.7194279973207165
Energy: 1.293918955934164
Energy: 1.3749616771299202
Energy: 1.902252221535859
Energy: 1.3062268607695107
Energy: 1.3060234670438815
Energy: 1.9021178421825702
Energy: 1.3064972428211221
Energy: 1.3056837436103659
Energy: 2.113147503955081
Energy: 2.1613122416753514
Energy: 1.769203146320538
Energy: 2.1153979361201913
Energy: 2.161252073209882
Energy: 1.8392728901517252
Energy: 1.693096775576763
Energy: 1.5399963424312266
Energy: 1.5821191026913366
Energy: 1.8488037263438648
Energy: 1.7509551597459234
Energy: 1.5865646652824377
Energy: 1.339793977398218
Energy: 1.2417410207513697
Energy: 1.247422915897907
Energy: 1.339806383884545
Energy: 1.2826164930253174
Energy: 1.5249318738267763
Energy: 1.2150372659691837
Energy: 1.4321929917578595
Energy: 1.431924817957413
Energy: 1.2152109086496647
Energy: 1.4862377464090657
Energy: 1.2932322780212726
Energy: 1.3089963898741626
Energy: 1.5821532562094962
Energy: 1.6415226323979861
Energy: 1.3086874705243934
Energy: 1.7751303638784033
Energy: 1.310818059035149
Energy: 1.4871703505572473
Energy: 1.9226139327858
Energy: 1.6194997953308738
Energy: 1.6291749082798668
Energy: 2.12315308369815
Energy: 1.6079937169551133
Energy: 1.4675257261668087
Energy: 1.45955994166865
Energy: 1.3419427255543341
Energy: 1.4674736453822568
Energy: 1.4868949082452374
Energy: 1.3508817006495988
Energy: 1.2103157809095364
Energy: 1.264351229355502
Energy: 1.3636924242939044
Energy: 1.2115951415259967
Energy: 1.211599362821005
Energy: 1.4199859858292396
Energy: 1.3139310346029869
Energy: 1.4379707464978897
Energy: 1.4013081911496985
Energy: 1.3141667075645882
Energy: 1.4658424074013552
Energy: 1.293636998710769
Energy: 2.456789088216281
Energy: 1.308604665036942
Energy: 1.306648222840967
Energy: 2.4590234035290783
Energy: 1.6262110336440578
Energy: 2.037353105502653
Energy: 2.4231581977788896
Energy: 1.3097072386540343
Energy: 1.3089386165525696
Energy: 1.9965781887734748
Energy: 1.3091093741073154
Energy: 1.630389816128336
Energy: 1.6889059442153336
Energy: 1.2038121771848111
Energy: 1.2182874232541914
Energy: 1.6890354696926653
Energy: 1.2283203847099975
Energy: 1.3402341011551069
Energy: 1.554104769261199
Energy: 1.378804989541303
Energy: 1.4954408508973682
Energy: 1.556844502695105
Energy: 1.306801675041457
Energy: 1.4911155506757607
Energy: 1.81595328818617
Energy: 1.7359816517633382
Energy: 1.6717539412285005
Energy: 1.81823067959785
Energy: 1.7548099754435091
Energy: 1.73512408051082
Energy: 2.123697414665979
Energy: 1.7172256515963575
Energy: 1.636378518348766
Energy: 2.123897039937813
Energy: 1.8321005936954984
Energy: 2.038334351601115
Energy: 1.3076763587019788
Energy: 1.7439692479706563
Energy: 1.53607918931502
Energy: 1.3071134204644799
Energy: 1.740644894591151
Energy: 1.3065653737996863
Energy: 1.3613201537640887
Energy: 1.682233047377646
Energy: 1.622775574770072
Energy: 1.3614364309307139
Energy: 1.8583466527024581
Energy: 1.4399206182909854
Energy: 1.8240497640051192
Energy: 1.4803249490658865
Energy: 1.7416958150274005
Energy: 1.827142437888682
Energy: 1.5528418370113604
Energy: 1.71138487672385
Energy: 1.987157364591533
Energy: 1.874331953582566
Energy: 1.518715801218339
Energy: 1.7912970140502025
Energy: 1.8094877787990504
Energy: 1.5947448312653014
Energy: 1.8345481572854683
Energy: 1.3945661751622804
Energy: 1.4652142127285572
Energy: 1.8366171973691237
Energy: 1.39295384206049
Energy: 1.707762643822571
Energy: 1.9746618844296873
Energy: 1.3109442003816163
Energy: 1.310438315106485
Energy: 1.9762203861390812
Energy: 1.397148393139632
Energy: 1.6041770040341303
Energy: 2.1471397231196407
Energy: 1.3057360164111478
Energy: 1.3071613592033122
Energy: 2.1487016953518516
Energy: 1.306189881606729
Energy: 1.8719252482706883
Energy: 2.182957797718748
Energy: 1.7129472425927348
Energy: 1.7482930660738318
Energy: 1.8569882648603693
Energy: 1.7664864658926722
Energy: 1.8249090344466161
Energy: 1.4888831614133493
Energy: 1.241327785710727
Energy: 1.4168833068607687
Energy: 1.4891926192563671
Energy: 1.2766558311382517
Energy: 1.4551132373410913
Energy: 1.2148203398996937
Energy: 1.4412793850143464
Energy: 1.434676674363051
Energy: 1.2132563186341239
Energy: 1.5092126870967624
Energy: 1.3678893021611382
Energy: 1.310893763031874
Energy: 1.4969196387503547
Energy: 1.5261039907192675
Energy: 1.3104027011638304
Energy: 1.4419638899637164
Energy: 1.30955616434255
Energy: 2.6401963705010565
Energy: 1.9266994750716564
Energy: 1.8796831353848062
Energy: 2.6402488048497625
Energy: 2.1141686768725187
Energy: 2.214257507198034
Energy: 1.4995284914919143
Energy: 1.497693158831293
Energy: 1.3708786616830255
Energy: 1.497741032782245
Energy: 1.4414614032463968
Energy: 1.309559395575408
Energy: 1.20966097277236
Energy: 1.2652171787282973
Energy: 1.3641134688112848
Energy: 1.211239376251061
Energy: 1.211258519566265
Energy: 1.320611931568134
Energy: 1.3149088491308984
Energy: 1.1863610569022014
Energy: 1.1965470572435124
Energy: 1.3148563052131348
Energy: 1.2011323108799905
Energy: 1.292368371057856
Energy: 2.4926735284064967
Energy: 1.3111523180098756
Energy: 1.4944648582336442
Energy: 1.9349981460019599
Energy: 1.3092674716489947
Energy: 1.5934490756545416

minimum gb energy = 1.1863610569022014 eV
minimum distance =  2.53110436915015 Angstroms
sigma value = 57


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

Energy: 0.5487876291037925
Energy: 2.2558592230060177
Energy: 0.5639666635320931
Energy: 0.553136262179327
Energy: 2.255337851544556
Energy: 0.5497419383374222
Energy: 0.6845494976684825
Energy: 0.6171719743876467
Energy: 0.7969552142929028
Energy: 0.6144655458646193
Energy: 0.6164190272959634
Energy: 0.7985684074857095
Energy: 0.6876308477526192
Energy: 0.8217974858725516
Energy: 0.8218605544887087
Energy: 0.6878434400293171
Energy: 0.6190444519999775
Energy: 0.8219230022656081
Energy: 0.6877950305382691
Energy: 0.8493852052738201
Energy: 0.8492629874860325
Energy: 0.688340828340405
Energy: 0.687137670342098
Energy: 0.849150823385211
Energy: 0.6835593562708923
Energy: 0.5502735621511161
Energy: 0.5503317385163848
Energy: 0.6845645662978612
Energy: 0.5499432141646561
Energy: 0.8203535232783753
Energy: 0.619287241933944
Energy: 0.5497767225428248
Energy: 0.5500457948488692
Energy: 0.6193310633108889
Energy: 0.5497562384840141
Energy: 0.6000221870028898
Energy: 0.6127008025068394
Energy: 0.8208814409641041
Energy: 0.8199493716604799
Energy: 0.6138831860519061
Energy: 0.8474833424250042
Energy: 0.8186699393694472
Energy: 0.618459069226677
Energy: 0.8549485768669789
Energy: 0.8552506446176594
Energy: 0.6200600961880084
Energy: 0.6887409289728095
Energy: 0.8541802351908895
Energy: 0.6831003552912648
Energy: 0.695230454588603
Energy: 0.8487984031497131
Energy: 0.6843638818947769
Energy: 0.688428421879487
Energy: 0.8482426243344265
Energy: 0.5496162353057863
Energy: 0.6882346358859368
Energy: 0.7758424286481966
Energy: 0.5497073760400268
Energy: 0.6876257308613569
Energy: 0.5500026745322614
Energy: 0.5496331669682469
Energy: 0.6183927751357199
Energy: 0.8001663290618088
Energy: 0.5497281967741515
Energy: 0.6186982412684829
Energy: 0.6003640000637892
Energy: 0.6865690157041416
Energy: 0.82033748780872
Energy: 0.8204953710042584
Energy: 0.686190557288809
Energy: 0.6166398883535349
Energy: 0.8205621588611205
Energy: 0.6886344365714901
Energy: 1.7440307351742073
Energy: 1.7434275842919187
Energy: 0.6890251566801707
Energy: 1.5333216908637284
Energy: 1.7415470567918097
Energy: 0.6843477885354101
Energy: 0.8196899199512209
Energy: 0.8206998524657227
Energy: 0.6854391565655275
Energy: 0.6164859046194459
Energy: 0.8200258757136399
Energy: 0.6887377944629237
Energy: 0.5494291775412357
Energy: 0.5496605694832993
Energy: 0.688708443531026
Energy: 0.5498320266611322
Energy: 0.7757278744339074
Energy: 0.616618852710111
Energy: 0.8169705875628082
Energy: 0.7992343694037846
Energy: 0.6167628429244839
Energy: 0.5499513777510436
Energy: 0.7978895304059572
Energy: 0.6183734321253566
Energy: 0.8216917165639661
Energy: 0.8217949813214551
Energy: 0.618540191308074
Energy: 0.6875089170664926
Energy: 0.8218149546525659
Energy: 0.6875783892441971
Energy: 0.8499688327951986
Energy: 0.8501300883111762
Energy: 0.6895654139871489
Energy: 0.6887807713699915
Energy: 0.8488646345511641
Energy: 0.5497235832065838
Energy: 0.6869707430967713
Energy: 0.8206683224884037
Energy: 0.549789512726886
Energy: 0.6849003814468808
Energy: 0.819356953031113

minimum gb energy = 0.5487876291037925 eV
minimum distance =  2.64264468011159 Angstroms
sigma value = 11


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

Energy: 2.0184073636276896
Energy: 2.52649810979273
Energy: 1.903211199947638
Energy: 2.0210204365508324
Energy: 2.5233178419876303
Energy: 2.0784971476465386
Energy: 0.9771346710905543
Energy: 1.0273195955125753
Energy: 1.058327099630873
Energy: 1.046686807458403
Energy: 1.0270728736302999
Energy: 1.1393841373753564
Energy: 1.0227160526484531
Energy: 1.122668501721616
Energy: 1.150406048154795
Energy: 1.0245871533717426
Energy: 1.0663093645359658
Energy: 1.243125881390718
Energy: 1.0546231830607786
Energy: 1.1474345938712238
Energy: 1.2497368805918148
Energy: 1.0562122655156443
Energy: 1.02507737436412
Energy: 1.1777359452825977
Energy: 1.206360017965991
Energy: 1.4501016317422444
Energy: 1.3488092997774923
Energy: 1.1742535374596899
Energy: 1.975249641269086
Energy: 1.278439940760318
Energy: 1.4181029689670575
Energy: 1.9462806259757301
Energy: 1.9304309017052022
Energy: 1.418479478448861
Energy: 2.260602250954849
Energy: 2.1706154449104895
Energy: 1.3821667279501444
Energy: 1.4159392037360445
Energy: 1.3330778781135355
Energy: 1.3821784357841052
Energy: 1.288589063489441
Energy: 1.3405556341593716
Energy: 1.0892965744382108
Energy: 1.206928677135752
Energy: 1.284542800685452
Energy: 1.0918554767175572
Energy: 1.1433614022850116
Energy: 1.3781164629489302
Energy: 1.4519067892322866
Energy: 1.134592750793626
Energy: 1.2023318689820857
Energy: 1.438104046195801
Energy: 1.1608330250123349
Energy: 1.2480769781257153
Energy: 1.7734769788431763
Energy: 1.9398960935461438
Energy: 1.3265559650205858
Energy: 1.7765529330511458
Energy: 1.9430241987700259
Energy: 1.9038291224971597
Energy: 2.22323017667875
Energy: 1.6316654664933945
Energy: 1.5577837842036084
Energy: 1.723259385773553
Energy: 1.7989815705835617
Energy: 1.5587565324456192
Energy: 1.7079888627477984
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Energy: 1.5296661273802934
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Energy: 1.429586020567726
Energy: 1.488119080072343
Energy: 1.406801431888552
Energy: 1.55062085733145
Energy: 1.4497251257158286
Energy: 1.2862675998945614
Energy: 1.3414141772244
Energy: 1.323162943470673
Energy: 1.2878007242894665
Energy: 1.5713328907144803
Energy: 1.2957755340105237
Energy: 1.7376234898867207
Energy: 1.6926775703834431
Energy: 1.6414757010283292
Energy: 1.734358522648866
Energy: 1.7915701742806327
Energy: 1.875840060223289
Energy: 1.8133419095179053
Energy: 1.6106134239481322
Energy: 1.5584467527976125
Energy: 1.7988251596610503
Energy: 1.7551853636002002
Energy: 1.5591244956168624
Energy: 1.5393232377887638
Energy: 1.816931066071231
Energy: 1.6931583730832749
Energy: 1.5315441290716514
Energy: 1.8281435980187477
Energy: 1.76312277319351
Energy: 2.0434790642720193
Energy: 1.3716395021145558
Energy: 1.3054870782077908
Energy: 1.746596510227479
Energy: 1.3799862087630856
Energy: 1.3795122881550919
Energy: 1.8833686946909869
Energy: 1.3163311150848778
Energy: 1.349492494926237
Energy: 1.7933108857117113
Energy: 1.3216500032211074
Energy: 1.3541734416204374
Energy: 1.3079733321999771
Energy: 1.4742657389687193
Energy: 1.5538070330974436
Energy: 1.3112560407118048
Energy: 1.4206766585283954
Energy: 1.6138497054136143
Energy: 1.7878636853649454
Energy: 1.6258911531868072
Energy: 1.5181341016001053
Energy: 1.7881834215282366
Energy: 2.034524548818049
Energy: 1.5239546231549075
Energy: 2.0897537618693
Energy: 1.8660823526821717
Energy: 1.7759210780986436
Energy: 2.0882941757384126
Energy: 2.0249073070828154
Energy: 2.021219065311681
Energy: 1.1696192228522222
Energy: 1.2453449645504933
Energy: 1.263934931464829
Energy: 1.1730376939905802
Energy: 1.6733083483971958
Energy: 1.2118574118996017
Energy: 1.146597721075907
Energy: 1.3325369958210105
Energy: 1.4004712446917047
Energy: 1.1492852397493403
Energy: 1.320866000836103
Energy: 1.2476239892347263
Energy: 1.1065720981811729
Energy: 1.2833121836205266
Energy: 1.2948573504495753
Energy: 1.1099771191300138
Energy: 1.2916064763583421
Energy: 1.3703557392907748
Energy: 2.439950408913663
Energy: 1.4892221251672855
Energy: 1.3639195178744694
Energy: 1.944225743015626
Energy: 1.3561538777383833
Energy: 1.4031912149090102

minimum gb energy = 0.9771346710905543 eV
minimum distance =  2.53713303009477 Angstroms
sigma value = 41


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

Energy: 1.9732126941354116
Energy: 2.377184051640959
Energy: 2.0320889441297725
Energy: 1.9767698918343815
Energy: 2.376830383618835
Energy: 1.7665012653323127
Energy: 1.5673550786775177
Energy: 1.1436408805842055
Energy: 1.19498880321333
Energy: 1.5183204948800921
Energy: 1.1439836019781253
Energy: 1.2952701559018334
Energy: 1.1523019889087431
Energy: 1.2106633365816846
Energy: 1.3000353253363
Energy: 1.1411711979694272
Energy: 1.2107272568614842
Energy: 1.3390219593827415
Energy: 1.2899584865300793
Energy: 1.3043469938003758
Energy: 1.3457276137460326
Energy: 1.1927780966831305
Energy: 1.094669225588181
Energy: 1.259473789886429
Energy: 1.3370203181573865
Energy: 1.6948392814554423
Energy: 1.9039910965503637
Energy: 1.3910382825431982
Energy: 1.4830936661779845
Energy: 1.436196774181441
Energy: 1.609952859096615
Energy: 2.071583389854651
Energy: 1.8940861568880678
Energy: 1.610598569852978
Energy: 2.073028944426002
Energy: 1.893915282419304
Energy: 1.6924327466341853
Energy: 1.6891131482490738
Energy: 1.5140528712776329
Energy: 1.2858257824542831
Energy: 1.4665726702069248
Energy: 1.513313460546031
Energy: 1.2721518945759496
Energy: 1.3167623550125112
Energy: 1.431431543586299
Energy: 1.2483335913797005
Energy: 1.3167845411490064
Energy: 1.4811813053942169
Energy: 2.030064247297017
Energy: 1.260685891252159
Energy: 1.2598154701575992
Energy: 1.311981496648916
Energy: 1.2577029878393369
Energy: 1.3513925707365082
Energy: 1.604409219299212
Energy: 1.7575537144260196
Energy: 1.8366799160430918
Energy: 1.6077721268614278
Energy: 1.7574843961462667
Energy: 1.8421341033667968
Energy: 1.6002526167222648
Energy: 1.6261131312478785
Energy: 1.5748658648744407
Energy: 1.5978390848677002
Energy: 1.9642240486753282
Energy: 1.639659880165644
Energy: 2.022484499599992
Energy: 1.8486921987640839
Energy: 1.7077160353022032
Energy: 2.0244871705621503
Energy: 1.8484394464445555
Energy: 1.7709820359884743
Energy: 1.6464067752237463
Energy: 1.8328445310924837
Energy: 1.7051634340337598
Energy: 1.6469863265608056
Energy: 1.847669930850708
Energy: 1.6983072479473635
Energy: 1.366022780973026
Energy: 1.413959662702162
Energy: 1.3830163107932645
Energy: 1.3534221375040192
Energy: 1.7338651817180222
Energy: 1.3161458628382305
Energy: 1.2829579515528011
Energy: 1.6439312848681629
Energy: 1.6616534880218088
Energy: 1.2837235367017812
Energy: 1.6461115615461368
Energy: 1.484602807506194
Energy: 1.4933101782304266
Energy: 1.4765982978018581
Energy: 1.511981751946937
Energy: 1.4928733380131298
Energy: 1.5590612124203853
Energy: 1.564527222356563
Energy: 1.9597006016456806
Energy: 1.6059577577583306
Energy: 2.0412092620253235
Energy: 1.9628869799089215
Energy: 1.8969160090088184
Energy: 1.7702581367909536
Energy: 1.8636037365609939
Energy: 1.4282456579586613
Energy: 1.3669226677396755
Energy: 1.8971459234435863
Energy: 1.4283028814490564
Energy: 1.7342743844174018
Energy: 1.1410681536488703
Energy: 1.209352910911104
Energy: 1.2993648993569227
Energy: 1.14121071409711
Energy: 1.1931222444117338
Energy: 1.297252575123547
Energy: 1.154025210735591
Energy: 1.1986819140782483
Energy: 1.2740637149489822
Energy: 1.1424192125160864
Energy: 1.1647792559909607
Energy: 1.3000099345902694
Energy: 1.2444749854810524
Energy: 1.5205764380475018
Energy: 1.2467903880764344
Energy: 1.2443019982357715
Energy: 1.5704485529729
Energy: 1.290803068613514
Energy: 1.6101575469656069
Energy: 2.146535106577543
Energy: 2.07397437109122
Energy: 1.7806800900871913
Energy: 2.149777045859398
Energy: 1.843465839029225
Energy: 1.6520346987787773
Energy: 1.3790478860977915
Energy: 1.5140748556465338
Energy: 1.6524706457886849
Energy: 1.5439516950693455
Energy: 1.5137188707185345
Energy: 1.2711586758705622
Energy: 1.2776245417874619
Energy: 1.4309477162744417
Energy: 1.2483091813258609
Energy: 1.278193348427886
Energy: 1.4871541848163372
Energy: 1.6630089722581156
Energy: 1.2585797228722222
Energy: 1.351964080280356
Energy: 1.3012061549736156
Energy: 1.2724162866292992
Energy: 1.3521073222764395
Energy: 1.6055926374806326
Energy: 1.7075193549696108
Energy: 1.7595526970517206
Energy: 1.6050874810186746
Energy: 1.56734281235723
Energy: 1.5655335206977434
Energy: 1.605238610602438
Energy: 1.8608306338113159
Energy: 2.0400054029181485
Energy: 1.6063741971080714
Energy: 1.7845689459217842
Energy: 2.016823185765262
Energy: 1.963349930062972
Energy: 1.6372653685603085
Energy: 1.7749114937698085
Energy: 2.0180973746293773
Energy: 1.556952055489136
Energy: 1.7900725509684432
Energy: 1.8054778709444403
Energy: 1.9003652923770593
Energy: 1.746634971002605
Energy: 1.805404237512745
Energy: 1.9171107901637359
Energy: 1.659761417996595
Energy: 1.35397278035489
Energy: 1.5013204582658808
Energy: 1.3450955181277446
Energy: 1.3541749388573905
Energy: 1.9340301468585193
Energy: 1.3158971039521403
Energy: 1.2899521909453828
Energy: 1.5633093855363491
Energy: 1.5089067839054608
Energy: 1.2904556629883743
Energy: 1.5638363600060243
Energy: 1.5144828251063107
Energy: 1.4996709430761839
Energy: 1.2457058430845498
Energy: 1.2600800096473608
Energy: 1.4993839142849776
Energy: 1.1482904729027796
Energy: 1.5460045322879605
Energy: 1.9602741379629247
Energy: 1.629886152701094
Energy: 1.9216912972082265
Energy: 1.9605516184826048
Energy: 1.63025994437233
Energy: 2.0228830424481172

minimum gb energy = 1.094669225588181 eV
minimum distance =  2.52527214874637 Angstroms
sigma value = 33


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

Energy: 1.4814029109537177
Energy: 2.238517532218832
Energy: 1.7868722386765798
Energy: 1.4842125108273545
Energy: 2.2382904835326847
Energy: 2.1845003982763456
Energy: 1.6749329239393635
Energy: 1.2533440646685612
Energy: 1.3238925240198358
Energy: 1.8158773895658722
Energy: 1.255621998128866
Energy: 1.3233287484546397
Energy: 1.2893611514128784
Energy: 1.344748510401235
Energy: 1.2846784581094892
Energy: 1.2909410289158447
Energy: 1.3435933569282403
Energy: 1.5357021389243322
Energy: 1.4273758428654633
Energy: 1.4439990880502103
Energy: 1.3496220698707173
Energy: 1.327017310441752
Energy: 1.2282107609586836
Energy: 1.3685842490931175
Energy: 1.398611250337812
Energy: 1.7710372678746185
Energy: 1.3970401501523153
Energy: 1.3978798352304895
Energy: 1.8805609379300645
Energy: 1.5083605295563225
Energy: 1.6915925296609353
Energy: 1.8988341389496786
Energy: 1.6927985903498934
Energy: 2.198680842224774
Energy: 1.9289268050653108
Energy: 1.5816680531185883
Energy: 1.7282009422434998
Energy: 1.4567115537781816
Energy: 1.5616156530803869
Energy: 1.4195166052984152
Energy: 1.330849589584219
Energy: 1.6591732273068696
Energy: 1.4830786959183417
Energy: 1.5162300830584001
Energy: 1.4060259269355448
Energy: 1.486400262877582
Energy: 1.5063042066230665
Energy: 1.5587209169547724
Energy: 1.7519992456716684
Energy: 1.3251682470231345
Energy: 1.323725332890192
Energy: 1.8735514353459708
Energy: 1.3235458439357493
Energy: 1.3884330137402108
Energy: 1.9347620363353368
Energy: 1.5582584540958144
Energy: 1.556033649648956
Energy: 1.9363861026067846
Energy: 1.4668673015970666
Energy: 1.5558733572123506
Energy: 1.8111888414510915
Energy: 1.5863822905414584
Energy: 1.8250439283564492
Energy: 1.262498805229964
Energy: 1.4682058230589456
Energy: 1.7727196761845156
Energy: 1.544323060149317
Energy: 2.156249706149345
Energy: 1.957591137438799
Energy: 1.5454572669656137
Energy: 2.184480903454622
Energy: 1.9581356775607899
Energy: 1.5361034423888098
Energy: 2.1562801458098413
Energy: 2.1596115464842036
Energy: 1.5397197549926225
Energy: 2.1844106456230894
Energy: 1.9543349374898717
Energy: 1.2611476426903627
Energy: 1.3627984580063388
Energy: 1.4354032152238825
Energy: 1.2629185756643784
Energy: 1.267665191936463
Energy: 1.3209657249924125
Energy: 1.1996137008812116
Energy: 1.3974737140475908
Energy: 1.4870002802168778
Energy: 1.3309244199681463
Energy: 1.356382328395782
Energy: 1.5109712825799226
Energy: 1.2243987100378566
Energy: 1.419132680747945
Energy: 1.3977540156726316
Energy: 1.210306832619056
Energy: 1.4219942195668689
Energy: 1.3990957865447489
Energy: 1.9238802590298913
Energy: 1.6793794812293215
Energy: 1.6420516184620428
Energy: 1.9263574791110576
Energy: 1.6784684137458123
Energy: 1.9001055201055121
Energy: 2.1034407483411295
Energy: 1.3980222212557276
Energy: 1.5016938446991683
Energy: 1.8398647845887282
Energy: 1.3982079684880822
Energy: 1.4080349065212399
Energy: 1.2264782041772724
Energy: 1.5103601758418783
Energy: 1.4833794342953126
Energy: 1.227878883634869
Energy: 1.4405165296899944
Energy: 1.3774193032101314
Energy: 1.3710430352975158
Energy: 1.4497092430060763
Energy: 1.3910976242409552
Energy: 1.3714190074675692
Energy: 1.4405091424855774
Energy: 1.4709623358994346
Energy: 1.326178663307866
Energy: 1.4877916766977428
Energy: 1.3118607452906348
Energy: 1.3267683143867468
Energy: 1.8771805705295348
Energy: 1.3127352756936645
Energy: 1.4685530904619442
Energy: 1.928849147398625
Energy: 1.940376050892407
Energy: 1.4686156125363519
Energy: 1.9130613615385108
Energy: 1.5619493654092116
Energy: 1.6705075628567922
Energy: 1.439223979692906
Energy: 1.5326616313045551
Energy: 1.6698737803595085
Energy: 1.2566597802603707
Energy: 1.64620339271898
Energy: 1.4837488822082472
Energy: 2.067994698597858
Energy: 1.8004185024806418
Energy: 2.419515503779434
Energy: 2.07035404909722
Energy: 2.1257679964858167
Energy: 2.27786755424053
Energy: 1.2550288800312066
Energy: 1.324188672787656
Energy: 1.7325778153153533
Energy: 1.2569568916726233
Energy: 1.3223831926778247
Energy: 1.284814106398398
Energy: 1.3397168936409292
Energy: 1.3232670119741168
Energy: 1.2864656566099248
Energy: 1.338227391818042
Energy: 1.4554553499684793
Energy: 1.2850491716359682
Energy: 1.3422261543025147
Energy: 1.3536934405908287
Energy: 1.2864454413410573
Energy: 1.2825816887711057
Energy: 1.44367554011606
Energy: 1.350679786084629
Energy: 1.5734733643625276
Energy: 1.3986085059824345
Energy: 1.350107995320073
Energy: 1.8307535616089872
Energy: 1.3972394811960624
Energy: 2.1977935635723784
Energy: 1.9228451140598466
Energy: 1.686253801988621
Energy: 2.198109651199372
Energy: 1.92954155585354
Energy: 1.576303792024745
Energy: 1.7300961183388046
Energy: 1.4765045526011742
Energy: 1.5588506555662716
Energy: 1.7312978650374862
Energy: 1.3181127888064916
Energy: 1.659166014114078
Energy: 1.4826180383927956
Energy: 1.4866819852088342
Energy: 1.4501575558541695
Energy: 1.4858474073041212
Energy: 1.5253943305744402
Energy: 1.5597607840405754
Energy: 2.1497954377125312
Energy: 1.3262692666921778
Energy: 1.325389108088332
Energy: 1.4119151725419383
Energy: 1.3238701966634228
Energy: 1.3672528728137114
Energy: 1.7676585517608114
Energy: 1.5548878485194189
Energy: 1.5575896116018535
Energy: 1.7585715695992505
Energy: 1.4632749586344134
Energy: 1.5585198855235463
Energy: 1.8281123460582687
Energy: 1.5857412805337878
Energy: 1.8382792878806002
Energy: 1.7684928572991994
Energy: 1.4671856575138804
Energy: 1.8488637155177297
Energy: 1.7900570819153372
Energy: 1.2132972279184355
Energy: 1.4754939000566292
Energy: 1.7913207720654063
Energy: 1.3209100705268848
Energy: 1.5077888273313962
Energy: 1.5392670194010254
Energy: 2.2319107644941463
Energy: 2.1418601876908094
Energy: 1.5387696103082098
Energy: 2.2314064148140123
Energy: 1.9522303616003975
Energy: 1.2634840496177293
Energy: 1.4436288245656497
Energy: 1.4412143373148936
Energy: 1.264100832171411
Energy: 1.8014583471524823
Energy: 1.3206040920266982
Energy: 1.2253560164131319
Energy: 1.478883292925343
Energy: 1.4800240327710983
Energy: 1.227514036721357
Energy: 1.332290542079389
Energy: 1.567110670025245
Energy: 1.2206177767310393
Energy: 1.2638908253006975
Energy: 1.3960257707067698
Energy: 1.2218118141936742
Energy: 1.4199434886704356
Energy: 1.3980850923770909
Energy: 1.923326109915629
Energy: 1.6576144223951172
Energy: 1.6585385636735352
Energy: 1.9261830025851114
Energy: 1.5085042464789085
Energy: 1.8460168408270052
Energy: 2.1131544574380268
Energy: 1.3987046756382195
Energy: 1.5556668780970895
Energy: 1.9300508456310512
Energy: 1.3986873717211161
Energy: 1.3898860201918668
Energy: 1.2254544316356155
Energy: 1.503979869353746
Energy: 1.449951138377943
Energy: 1.2369296152851403
Energy: 1.4345086167587215
Energy: 1.377666546176679
Energy: 1.4971761171596776
Energy: 1.5631087410675435
Energy: 1.538809748798437
Energy: 1.498505850832243
Energy: 1.4395569071453496
Energy: 1.4384839220259553
Energy: 1.3525614175969196
Energy: 1.3863750842555826
Energy: 1.3145046402891962
Energy: 1.3263575402814487
Energy: 1.7723420212703858
Energy: 1.3131600608046767
Energy: 1.5207529408772391
Energy: 1.9447180352656286
Energy: 1.9405062824827177
Energy: 1.51907349838345
Energy: 1.9136670711219044
Energy: 1.563040336780637
Energy: 1.6673418198411105
Energy: 1.2638238266784063
Energy: 1.3978349107437487
Energy: 1.6700580488340209
Energy: 1.265125236502603
Energy: 1.553521056209795
Energy: 2.420773118148555
Energy: 1.6559324444651542
Energy: 1.8004256008104607
Energy: 2.420746254996768
Energy: 1.6259836533366447
Energy: 1.9581755532095702

minimum gb energy = 1.1996137008812116 eV
minimum distance =  2.51038715320008 Angstroms
sigma value = 67


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

Energy: 1.7021878967240855
Energy: 1.9292022298935216
Energy: 1.2388621575416392
Energy: 1.7065926869243413
Energy: 1.9288773943877464
Energy: 1.7536053791343738
Energy: 1.5642735418125773
Energy: 1.2976859956519744
Energy: 1.278966866005017
Energy: 1.5661561200841543
Energy: 1.2975231781658634
Energy: 1.189484931186391
Energy: 1.4668057539683685
Energy: 1.2129633276483334
Energy: 1.4365240364864833
Energy: 1.4685188698785747
Energy: 1.2129272073555382
Energy: 1.6999138877625655
Energy: 1.4629368490472878
Energy: 1.4196596512453918
Energy: 1.6253983155833132
Energy: 1.4644591879226119
Energy: 1.4197815510814653
Energy: 1.4341935773700436
Energy: 1.3408489711276534
Energy: 1.3744722660691064
Energy: 1.6150446977245394
Energy: 1.3414331671548336
Energy: 1.3564988518498806
Energy: 1.5501659949948725
Energy: 1.3454016694669033
Energy: 1.4656210822114784
Energy: 1.5493522731519676
Energy: 1.3316462079846623
Energy: 1.466715496390228
Energy: 1.5226319865713125
Energy: 1.825462708793615
Energy: 1.5553237521648604
Energy: 1.5433396213400752
Energy: 1.8265969223492067
Energy: 1.341554712634325
Energy: 1.4048009865869737

minimum gb energy = 1.189484931186391 eV
minimum distance =  2.55827050785168 Angstroms
sigma value = 3


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

Energy: 2.189333649335427
Energy: 2.192661678130104
Energy: 1.71819164312626
Energy: 2.1383140191275127
Energy: 2.183054491298679
Energy: 1.7707549315100188
Energy: 2.0258275102599965
Energy: 1.7805944140472543
Energy: 1.7808735372940754
Energy: 1.9140762152095663
Energy: 1.7925805474122418
Energy: 1.5131236613470616
Energy: 1.8059283823410472
Energy: 1.81402472024569
Energy: 1.8048454840773795
Energy: 1.7132733495535217
Energy: 1.896202055082277
Energy: 1.7269340506644684
Energy: 1.4397971842545327
Energy: 1.827235468487412
Energy: 1.5326240654438112
Energy: 1.4015430296364861
Energy: 1.9393839423393568
Energy: 1.4525801530894786
Energy: 1.527600478257973
Energy: 1.7703668623244149
Energy: 1.7173284330100125
Energy: 1.494811115625243
Energy: 1.9016386509991996
Energy: 1.492430086714272
Energy: 1.7266911775460234
Energy: 1.7555065841620965
Energy: 1.7573350820170204
Energy: 1.661892988511448
Energy: 1.799454265267957
Energy: 1.8175790394016844
Energy: 1.907579956320402
Energy: 1.7124171671571493
Energy: 1.7058449479010804
Energy: 1.8972889976346978
Energy: 1.7006392421245964
Energy: 1.5860176058768651
Energy: 2.0663828396332855
Energy: 2.1878550605941665
Energy: 1.855622949915192
Energy: 2.069663964734959
Energy: 2.1870375208941115
Energy: 1.7511824319235454
Energy: 1.9752547292385636
Energy: 1.6882869695114495
Energy: 1.731450134240275
Energy: 1.8398479028792787
Energy: 1.8928210481428895
Energy: 1.6931495301553525
Energy: 2.025046385659948
Energy: 2.0086434007916996
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Energy: 2.0564501912999837
Energy: 2.200860810250194
Energy: 2.0197635466729533
Energy: 1.6757812669652568
Energy: 1.8779310036968133
Energy: 1.6147394145698304
Energy: 1.6785762468808014
Energy: 1.8933315983404762
Energy: 1.678554460633787
Energy: 1.8712424175604288
Energy: 1.6960890522518017
Energy: 1.709292223799893
Energy: 1.8779623574342295
Energy: 1.8118195551454963
Energy: 1.7279245602715008
Energy: 1.8367664674849735
Energy: 1.5634739507350197
Energy: 1.5595716487919844
Energy: 1.770114778334524
Energy: 1.5489450485692249
Energy: 1.719936253589304
Energy: 2.1337472077112194
Energy: 1.398806595877516
Energy: 1.4135138530935523
Energy: 2.0224528636742383
Energy: 1.3782319216340706
Energy: 1.413333036112724
Energy: 1.850786475973645
Energy: 1.5502500213737465
Energy: 1.7731012699687174
Energy: 1.8535805464945498
Energy: 1.5258876015930634
Energy: 1.8774524056808908
Energy: 1.9823223927107934
Energy: 1.4713498102722555
Energy: 1.5091134902850674
Energy: 1.9793637706992768
Energy: 1.9419336456408847
Energy: 1.9024309618009434
Energy: 1.9315920644217344
Energy: 2.150953712987003
Energy: 1.8167122765794108
Energy: 1.933035822700572
Energy: 2.410206238414024
Energy: 2.1244033290400233
Energy: 2.0390453074738843
Energy: 1.699305947083727
Energy: 1.5117156926366508
Energy: 2.0002523124626608
Energy: 1.9916038162166363
Energy: 1.8181346813849775
Energy: 2.299716645544055
Energy: 1.7568942940404357
Energy: 1.6530007955559656
Energy: 2.1469726738519337
Energy: 1.8552659124641686
Energy: 1.7411603556944322
Energy: 2.0845976870255734
Energy: 1.5575605830883272
Energy: 1.5811608203467518
Energy: 2.288301509735997
Energy: 1.52535346677027
Energy: 1.5922525025517351
Energy: 1.9049151085977816
Energy: 1.501998144846471
Energy: 1.5664266673989389
Energy: 1.7177258780765157
Energy: 1.531346891539078
Energy: 1.552236256931246
Energy: 1.6624412124215089
Energy: 1.7582391861083735
Energy: 1.816576523937391
Energy: 1.664427208578045
Energy: 1.686858077992963
Energy: 1.804497561691627
Energy: 1.5278985814728372
Energy: 1.6226108158849384
Energy: 1.5271250730547261
Energy: 1.5108459013033646
Energy: 1.619968144794552
Energy: 1.5454710589573277
Energy: 1.678735488341799
Energy: 1.9763649717554483
Energy: 1.7848681319395971
Energy: 1.6519036761818315
Energy: 2.0770453238385937
Energy: 1.9046600366988593
Energy: 1.9720291934825958
Energy: 1.9432849290709333
Energy: 1.8558470486421592
Energy: 1.9767254669589214
Energy: 2.0794105080729217
Energy: 1.6168878406760643
Energy: 2.321427619465961
Energy: 1.919147504198691
Energy: 1.839129427008699
Energy: 2.2252512701993585
Energy: 2.119529417596923
Energy: 1.6929069060285753
Energy: 2.189188752156833
Energy: 1.9248754828341326
Energy: 1.7561450576507378
Energy: 2.1554249691714618
Energy: 1.8591722666132746
Energy: 1.663389204898998
Energy: 1.8960180022999173
Energy: 1.8799287547555712
Energy: 1.8278766356250915
Energy: 1.9017459841400148
Energy: 2.005102218806554
Energy: 1.7686285189988
Energy: 1.5446269213178492
Energy: 1.8714280496557718
Energy: 1.8870713029233204
Energy: 1.5474435152873827
Energy: 1.9557739504320912
Energy: 1.7854933875320038
Energy: 1.4003800396490909
Energy: 1.6649236900880036
Energy: 1.4082541253878496
Energy: 1.403412540981332
Energy: 1.8881360458511498
Energy: 1.4082057117417655
Energy: 1.5889057272882592
Energy: 1.8601549001450264
Energy: 1.8647558812496523
Energy: 1.5881017490351945
Energy: 1.8589672532949093
Energy: 1.7842291859772594
Energy: 1.8643254444542772
Energy: 1.744246458356972
Energy: 1.7265917589885875
Energy: 1.8995445328080898
Energy: 1.7178111425081193
Energy: 1.7342546958423384
Energy: 2.2162775102295575
Energy: 1.7902772400142648
Energy: 1.7994006543585073
Energy: 2.218794854418822
Energy: 1.8135900592397063
Energy: 1.6135373375670023
Energy: 2.1891512736326963
Energy: 1.7397617158129546
Energy: 1.738672827244964
Energy: 2.164887040954051
Energy: 1.8822254844224988
Energy: 1.7637825302190002
Energy: 1.9665566965999455
Energy: 1.8166017350606969
Energy: 1.763479517794446
Energy: 1.96993242383953
Energy: 1.88974869261191
Energy: 1.704967330079169
Energy: 1.867473940407482
Energy: 2.0084713815629147
Energy: 1.6695076870152463
Energy: 1.8693605749073217
Energy: 2.200929348657744
Energy: 1.784830615272784
Energy: 1.729663166274566
Energy: 1.6182420303036416
Energy: 1.6729590933486496
Energy: 1.706213313675293
Energy: 1.848346317936972
Energy: 1.7441891710853363
Energy: 1.752685560022559
Energy: 1.6613053442464927
Energy: 1.758725699476238
Energy: 1.7544878576519218
Energy: 1.5768910285970819
Energy: 1.8445317410568665
Energy: 2.0354594068469
Energy: 1.379701894004035
Energy: 1.3999147211341518
Energy: 2.0327714033982467
Energy: 1.3861527766586605
Energy: 1.4800892750507468
Energy: 1.8936303749393637
Energy: 1.5087705369649826
Energy: 1.5068628992651358
Energy: 1.8555613742064139
Energy: 1.5208769865338043
Energy: 1.8007570969295552
Energy: 2.115028066090166
Energy: 1.725751628872679
Energy: 1.5664037455722835
Energy: 2.105186639999568
Energy: 1.9118168375277549
Energy: 1.7579287114994055
Energy: 1.8890410154028947
Energy: 1.9760924724301818
Energy: 1.7183072381888949
Energy: 1.8212206123996442
Energy: 2.4093123039317974
Energy: 1.8165359919058401
Energy: 1.995201620613004
Energy: 1.89105412124916
Energy: 1.8433229069202264
Energy: 1.981921898173926
Energy: 2.298648602019691
Energy: 1.8472610917466432
Energy: 2.162745951807031
Energy: 1.6821257021070366
Energy: 1.5443654619749605
Energy: 2.0050753057377304
Energy: 1.9634181662250785
Energy: 1.6513785852983325
Energy: 1.948810436153665
Energy: 1.7215059966142816
Energy: 1.6573396213734768
Energy: 1.9535468908834814
Energy: 1.728133117572136
Energy: 1.5742667317278534
Energy: 1.9114463743156531
Energy: 1.4853579008620534
Energy: 1.4774563203729452
Energy: 1.9270759823394785
Energy: 1.472892413556178
Energy: 1.460688425510752
Energy: 1.726467666773632
Energy: 1.6435196508094307
Energy: 1.7311591428987376
Energy: 1.7143657433056985
Energy: 1.6400242959988978
Energy: 1.8122058088654367
Energy: 1.663641567180781
Energy: 1.6706847533960991
Energy: 1.7430687656063963
Energy: 1.5911960775997218
Energy: 1.8039785017753094
Energy: 1.624901431266529
Energy: 1.5624881914765656
Energy: 1.8970384452388116
Energy: 1.7355860181745861
Energy: 1.5767012291107347
Energy: 2.1066275726322816
Energy: 1.5989318506075887
Energy: 1.9725640701907028
Energy: 1.8842471741933138
Energy: 1.8057840986671818
Energy: 1.9691737571681176
Energy: 2.0171071291527833
Energy: 1.8644604303335925
Energy: 2.0386263307609207
Energy: 1.7787645820022997
Energy: 1.7607031990952933
Energy: 1.9187091722711778
Energy: 1.7948280934279544
Energy: 1.48667220058431

minimum gb energy = 1.3782319216340706 eV
minimum distance =  2.50487697959072 Angstroms
sigma value = 81


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

Energy: 2.3719369068829437
Energy: 1.7398879387037585
Energy: 1.5913672333498612
Energy: 2.3077612523951037
Energy: 2.0140879414790724
Energy: 1.972426781660941
Energy: 2.1969049228697353
Energy: 1.554331715677654
Energy: 1.552497057619863
Energy: 2.0331811906342865
Energy: 1.553968553148094
Energy: 1.6457268451773983
Energy: 1.7903256274424657
Energy: 1.6930689099225564
Energy: 1.6855001323368723
Energy: 1.76046783118913
Energy: 1.695064376556144
Energy: 1.9035540751067828
Energy: 1.6243678677924072
Energy: 1.6482379676596954
Energy: 1.6306157597853945
Energy: 1.4872855546885517
Energy: 1.7402387288179701
Energy: 1.4851231543112047
Energy: 1.5324441847915116
Energy: 1.8162237546754538
Energy: 1.8771220210655424
Energy: 1.5290921145396026
Energy: 1.9518124748938308
Energy: 1.5094422406123529
Energy: 1.8855391883999797
Energy: 1.8101301341336875
Energy: 1.8113687787505857
Energy: 1.855565007681032
Energy: 1.8092193006496438
Energy: 1.8482891130499555
Energy: 1.9368222661420846
Energy: 1.5097700579650037
Energy: 1.4729643041643392
Energy: 1.8907394312401158
Energy: 1.5055546513341442
Energy: 1.514601050764699
Energy: 2.0288203981833637
Energy: 2.239021166778648
Energy: 2.2048083891614985
Energy: 2.0299853649933004
Energy: 2.2431384456376553
Energy: 1.5813322807137669
Energy: 1.8371483038000023
Energy: 1.6547746580813767
Energy: 1.6037514265742678
Energy: 1.8060756762065344
Energy: 1.5854505111015873
Energy: 1.545568290038969
Energy: 1.7095962368179145
Energy: 1.8725051601323741
Energy: 1.7214693314538767
Energy: 1.7030439146161382
Energy: 2.2700251045293918
Energy: 1.720213481585398
Energy: 1.5799184089461171
Energy: 1.7041795127994013
Energy: 1.412852000690492
Energy: 1.591331342915218
Energy: 2.1537979855119986
Energy: 1.5504090656871532
Energy: 1.7522259423300408
Energy: 1.6610305798474274
Energy: 1.7278709643989452
Energy: 1.725015655014511
Energy: 1.7619132032692957
Energy: 1.7452918538600026
Energy: 1.6972933525942067
Energy: 1.7350178486472356
Energy: 1.7283762154365845
Energy: 1.6991080526420448
Energy: 1.7372356489763576
Energy: 1.6172803393639381
Energy: 2.0903082503537678
Energy: 1.5368737171025517
Energy: 1.531378842449217
Energy: 2.0868295106978936
Energy: 1.5509080344203234
Energy: 1.4770756333137711
Energy: 2.040672489355336
Energy: 1.9134563084544507
Energy: 1.864364164959966
Energy: 2.037283819779253
Energy: 1.6648963809138781
Energy: 1.824444800993203
Energy: 1.9425200932623619
Energy: 1.5280503825508747
Energy: 1.486703020565816
Energy: 1.958223519165679
Energy: 1.964660086550169
Energy: 1.5427521334042107
Energy: 2.2119274164810645
Energy: 2.044681024611661
Energy: 1.580627118481866
Energy: 2.2106201321940677
Energy: 2.0309090890641386
Energy: 1.5812315439244442
Energy: 1.6794035881116554
Energy: 1.515559909710384
Energy: 1.5134922369009796
Energy: 1.6655836527876327
Energy: 1.5164396154528887
Energy: 1.6348683198055753
Energy: 2.0902955710004307
Energy: 1.792977775670785
Energy: 1.6064960172232587
Energy: 2.0905238397011034
Energy: 1.8319952666645147
Energy: 1.6083108313630716
Energy: 2.3691342492235923
Energy: 1.6611249642807435
Energy: 1.5971704560137632
Energy: 2.082705526637212
Energy: 1.6752178181202708
Energy: 1.5973793801963267
Energy: 1.7929261201322626
Energy: 1.4658054145086146
Energy: 1.5102198215432092
Energy: 1.6655635805491167
Energy: 1.5213694048988933
Energy: 1.7924327051516407
Energy: 1.8158882252543007
Energy: 1.7280889179169676
Energy: 1.7101064645027007
Energy: 1.818164079756589
Energy: 1.727265042446111
Energy: 1.7212103527232088
Energy: 1.5327291020751508
Energy: 1.6612082421578795
Energy: 1.4758849979068938
Energy: 1.5298161058271689
Energy: 1.6655415794413075
Energy: 1.4923613551453347
Energy: 1.6562779712584776
Energy: 1.898514812265909
Energy: 1.8609862263531312
Energy: 1.6501732995550926
Energy: 2.0696396423710812
Energy: 1.5987872689663083
Energy: 1.9497136693872505
Energy: 1.5357566938144043
Energy: 1.54010919761327
Energy: 1.945352263293198
Energy: 1.95945788493232
Energy: 1.4897376512149814
Energy: 2.038276432227548
Energy: 1.789066437522397
Energy: 1.9144474846606179
Energy: 2.0278216434684757
Energy: 1.85798639746888
Energy: 1.9006011848358546
Energy: 2.166747613386888
Energy: 1.5452606612991746
Energy: 1.621662467757537
Energy: 2.168541602761105
Energy: 1.655201399183491
Energy: 1.6372963247180676
Energy: 1.8447681940940814
Energy: 1.6613607169442373
Energy: 1.9085035722930654
Energy: 1.8749581258011458
Energy: 2.1536852674002724
Energy: 1.550103040045832
Energy: 1.7006819224360126
Energy: 1.8730177707431337
Energy: 1.872749895975703
Energy: 1.6700513162906596
Energy: 2.265216473281346
Energy: 1.510172820123012
Energy: 1.5709669448309287
Energy: 1.7335593195417367
Energy: 1.5384690552415397
Energy: 1.5392526059157186
Energy: 1.6333741780210975
Energy: 1.5452440166589685
Energy: 1.7223946544488904
Energy: 1.8274731035110945
Energy: 1.9454908806461837
Energy: 1.726080138678608
Energy: 1.8454134899181893
Energy: 1.7407429664239116
Energy: 1.9884809030964405
Energy: 1.4741716116602703
Energy: 1.4622862349136618
Energy: 1.555491746807546
Energy: 1.4991401636633652
Energy: 1.4585718919968715
Energy: 2.163477945177908
Energy: 1.6001246416677823
Energy: 1.6030301075576294
Energy: 2.1310197194794718
Energy: 1.6026301016054347
Energy: 1.8459287697779847
Energy: 1.942246485621661
Energy: 1.6302003321513512
Energy: 1.8764236216409986
Energy: 1.937769237049423
Energy: 1.8139041336788506
Energy: 1.795645926954522
Energy: 1.4838622453676926
Energy: 1.512529192637039
Energy: 1.5283499619785539
Energy: 1.4924341901642457
Energy: 2.1238733182381337
Energy: 1.4925471359732279
Energy: 2.2192833635256233
Energy: 1.8739855562095349
Energy: 1.586489355598651
Energy: 2.1626143441500814
Energy: 2.0338059261180215
Energy: 1.9682420364696782
Energy: 2.159976864647035
Energy: 1.5546886174562349
Energy: 1.5211968546009242
Energy: 2.0787444730010005
Energy: 1.8250329957846172
Energy: 1.635533560304488
Energy: 2.3731861616864447
Energy: 1.6470097229476472
Energy: 1.591182474746346
Energy: 2.308722454022823
Energy: 1.6405017375697337
Energy: 1.9974060471792277

minimum gb energy = 1.412852000690492 eV
minimum distance =  2.52647412677 Angstroms
sigma value = 43


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

Energy: 2.2773896618183147
Energy: 2.14446977152317
Energy: 1.749905392712453
Energy: 2.2806535424165024
Energy: 2.227602514293918
Energy: 1.5268252723812732
Energy: 1.8711881221732682
Energy: 1.512775422696121
Energy: 1.5129481213660414
Energy: 1.8733853133338982
Energy: 1.5130566490343356
Energy: 1.4792113995852276
Energy: 1.8344283352289599
Energy: 1.8117197013222206
Energy: 1.7730417064357937
Energy: 1.7491632412590057
Energy: 1.852007178529469
Energy: 1.6566910499106435
Energy: 1.3561065614902288
Energy: 1.6027303238721
Energy: 1.3497273832684444
Energy: 1.356065142385642
Energy: 1.8349667952173772
Energy: 1.3436530558605004
Energy: 1.5719062391857834
Energy: 1.6631920292574
Energy: 1.6391501716141272
Energy: 1.466362881463615
Energy: 1.6706881024608697
Energy: 1.4588821678955957
Energy: 1.7035312181072695
Energy: 1.5974587497567556
Energy: 1.57774390470083
Energy: 1.7073457017180764
Energy: 1.6183646950179909
Energy: 1.651256367106798
Energy: 1.9710815841822509
Energy: 1.3333062255917751
Energy: 1.3333827250352217
Energy: 1.8397052328747934
Energy: 1.333230870454473
Energy: 1.3337030934971013
Energy: 1.975479249993922
Energy: 1.4922536129825117
Energy: 1.7690668861233578
Energy: 1.9804641915462942
Energy: 1.4914455539712828
Energy: 1.88191314822606
Energy: 1.7994531790744712
Energy: 1.420148043517655
Energy: 1.4206920082906298
Energy: 1.8211165147015203
Energy: 1.7810138093214378
Energy: 1.4419040855484355
Energy: 2.04842658388858
Energy: 1.8794564002174377
Energy: 1.640122231733386
Energy: 2.048223597445737
Energy: 2.2207765569706432
Energy: 1.781658201181602
Energy: 1.7807834991242544
Energy: 1.7260726526557155
Energy: 1.7265844315979506
Energy: 1.738689069578115
Energy: 2.028679303421055
Energy: 1.6915724951252311
Energy: 1.932324816313971
Energy: 1.8332238654199615
Energy: 1.4699858364089462
Energy: 2.0093621755618063
Energy: 1.8330082373935939
Energy: 1.4461826039839705
Energy: 2.204546476653836
Energy: 1.5227695499882286
Energy: 1.4944506742327397
Energy: 2.1555411551326067
Energy: 1.5226913367239805
Energy: 1.4944452221906075
Energy: 1.920118051471039
Energy: 1.5756482895656347
Energy: 1.5295805672892449
Energy: 1.7454893623723897
Energy: 1.59532426421856
Energy: 1.5915195512712146
Energy: 1.5298430222917099
Energy: 1.8016311525216795
Energy: 1.794741287087597
Energy: 1.5298578155420581
Energy: 1.7286270580215866
Energy: 1.7831969215913457
Energy: 1.298013566057775
Energy: 1.7307729446075752
Energy: 1.297661999087904
Energy: 1.29883549257688
Energy: 1.7477246788794587
Energy: 1.2966507994552916
Energy: 1.5037676330732264
Energy: 1.5300764853657418
Energy: 1.8059543155788016
Energy: 1.5038478732442175
Energy: 1.8156788659292507
Energy: 1.5835298333204366
Energy: 1.7793290649285722
Energy: 1.7721330504507176
Energy: 1.5261733665717654
Energy: 1.7243127061732437
Energy: 1.7207337663940714
Energy: 1.4997518273658896
Energy: 2.2026117958386693
Energy: 1.6719538508490177
Energy: 1.671987057203165
Energy: 2.163158375464187
Energy: 1.6678641110608705
Energy: 1.5882292838702223
Energy: 2.233946206363949
Energy: 1.8823798333479491
Energy: 1.6914873645301505
Energy: 2.038605257958527
Energy: 1.8835881444536746
Energy: 1.6123859131089522
Energy: 1.7375062848677614
Energy: 1.6172639862839149
Energy: 1.6422457004155864
Energy: 1.7944022513594282
Energy: 1.882083030201634
Energy: 1.5968182276226504
Energy: 1.802583053642121
Energy: 1.7368316421496321
Energy: 1.6985826603302614
Energy: 1.8831537068761588
Energy: 2.107677258014887
Energy: 1.6386973067492512
Energy: 1.6264474781369458
Energy: 1.5971864485250937
Energy: 1.5697411101073073
Energy: 1.6217437455787227
Energy: 1.8512887608256354
Energy: 1.5790205406863262
Energy: 1.9098073771919588
Energy: 1.6948619613002853
Energy: 1.7762508585769912
Energy: 1.874524506464827
Energy: 1.6886195621964286
Energy: 1.7588920304930047
Energy: 1.964804797872133
Energy: 1.293685878939826
Energy: 1.2935060307633772
Energy: 1.9260886263973864
Energy: 1.2934628409142706
Energy: 1.299834518487377
Energy: 1.8352915818274138
Energy: 1.374055740855169
Energy: 1.4707846215261433
Energy: 1.8160493100972044
Energy: 1.421746316946235
Energy: 1.5718646982858757
Energy: 1.761020693223066
Energy: 1.6566403473487366
Energy: 1.6192125170287726
Energy: 1.7210344912730722
Energy: 1.6270774389013396
Energy: 1.67516708843547
Energy: 1.4315039326140313
Energy: 1.503283508487293
Energy: 1.507452990734387
Energy: 1.4306555675329538
Energy: 1.8431925679371275
Energy: 1.4311385795867169
Energy: 1.8331887036453434
Energy: 1.8732367069164813
Energy: 1.7377678019950635
Energy: 1.8343590169042447
Energy: 2.0031873648958287
Energy: 1.5200825390421346
Energy: 1.837060006586935
Energy: 1.5121269380686038
Energy: 1.5661445374163672
Energy: 1.8374497475655847
Energy: 1.5880440301583902
Energy: 1.4737011482752411
Energy: 2.2810247511412065
Energy: 2.1163086083652267
Energy: 1.900111977692907
Energy: 2.29440534867187
Energy: 2.166404704803943
Energy: 1.7965817783740148

minimum gb energy = 1.2934628409142706 eV
minimum distance =  2.56486016960817 Angstroms
sigma value = 57


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

Energy: 1.8516951141142932
Energy: 1.9220243675884516
Energy: 1.513121763705221
Energy: 1.8550998968701788
Energy: 1.9224169614740765
Energy: 1.9691025913176985
Energy: 1.735513402785385
Energy: 1.380582212063562
Energy: 1.379977256924483
Energy: 1.6106467450520643
Energy: 1.3801491993812967
Energy: 1.4580740175685187
Energy: 1.7319120854034582
Energy: 1.5889989914564275
Energy: 1.5890203546688109
Energy: 1.7337814837724168
Energy: 1.690227811539643
Energy: 1.6778183606601538
Energy: 1.3186018563119426
Energy: 1.6389408234572422
Energy: 1.6387674498951001
Energy: 1.3189757436910825
Energy: 1.824881853163452
Energy: 1.317885087651223
Energy: 1.5470480428357083
Energy: 1.5873753476364847
Energy: 1.5888993577049175
Energy: 1.5379251197764656
Energy: 1.7458257647206963
Energy: 1.4707561243549592
Energy: 1.581586108587556
Energy: 1.543754835671927
Energy: 1.5431194622124385
Energy: 1.7427698152236382
Energy: 1.543230174394674
Energy: 1.5435587450740147
Energy: 1.5283040103893106
Energy: 1.3118195766594762
Energy: 1.3126108696658723
Energy: 1.5281591549529
Energy: 1.315163928528399
Energy: 1.3128012488534329
Energy: 1.6799882899720058
Energy: 1.8307009580823357
Energy: 1.6263254504049363
Energy: 1.6806411860306867
Energy: 1.5100333401225434
Energy: 1.5380323334666115
Energy: 1.5293692158929366
Energy: 1.5008087267843968
Energy: 1.4987924850292587
Energy: 1.8034945760553285
Energy: 1.6960176105842912
Energy: 1.509563838019261
Energy: 1.8801875285346956
Energy: 1.5475829332875966
Energy: 1.5476105458925307
Energy: 1.8803771816644292
Energy: 2.1068253681473377
Energy: 1.7520162584464989
Energy: 1.6170930799787955
Energy: 1.4860440580093766
Energy: 1.4568709926692698
Energy: 1.735097615844742
Energy: 1.698268724561728
Energy: 1.3805514390033509
Energy: 1.8797318431243815
Energy: 1.5919529788376414
Energy: 1.5140160828252585
Energy: 1.882043130175095
Energy: 1.5922639329910684
Energy: 1.4751277889976209
Energy: 2.4919483566553766
Energy: 1.5162725048855363
Energy: 1.481896064835459
Energy: 1.8839811819845593
Energy: 1.4263336834355071
Energy: 1.4824457605597743
Energy: 1.6925795131405188
Energy: 1.3794891728291543
Energy: 1.4843519679027635
Energy: 1.6124927430240696
Energy: 1.3808122695620992
Energy: 1.5626922998244286
Energy: 1.651863336309323
Energy: 1.617197851212134
Energy: 1.6181636032711626
Energy: 1.6527110170004111
Energy: 1.863468483172115
Energy: 1.668247229446203
Energy: 1.3115775305576056
Energy: 1.377149860685105
Energy: 1.3763226248593416
Energy: 1.3133843479255256
Energy: 1.4952807467247478
Energy: 1.4556216099280435
Energy: 1.6088897408379328
Energy: 1.5891351118283683
Energy: 1.5880356191317768
Energy: 1.6160575107244195
Energy: 1.7674826063347282
Energy: 1.5884247763096067
Energy: 1.6333626846156089
Energy: 1.3188420837918888
Energy: 1.4671644075710994
Energy: 1.6334853918189425
Energy: 1.3195748250458719
Energy: 1.544044939452883
Energy: 1.7678826627993385
Energy: 1.319948233882346
Energy: 1.3434837556973307
Energy: 1.4935644300593034
Energy: 1.3198437974483512
Energy: 1.4984540453390391
Energy: 1.4925632258971582
Energy: 1.694770833893719
Energy: 1.5376417769991975
Energy: 1.8111533117793577
Energy: 1.7356702501124577
Energy: 1.5378869213212925
Energy: 1.3805939145122028
Energy: 1.471517542191292
Energy: 1.4814269383156802
Energy: 1.3803493810488616
Energy: 1.6111005949893233
Energy: 1.5228644359520929
Energy: 2.075484661562238
Energy: 1.56719307949046
Energy: 1.5668399564632167
Energy: 2.0757165954426995
Energy: 2.1021705529989054
Energy: 1.615469800422846
Energy: 1.934374959470192
Energy: 1.3797760238967633
Energy: 1.484216749186291
Energy: 1.9364702063570411
Energy: 1.6112247741367274
Energy: 1.3800573973232113
Energy: 2.4915777537851187
Energy: 1.6758476477256283
Energy: 1.4818240580913296
Energy: 1.3301104653923257
Energy: 1.5935389452567887
Energy: 1.4827429039442304

minimum gb energy = 1.3115775305576056 eV
minimum distance =  2.57509643519915 Angstroms
sigma value = 17


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

Energy: 1.9958822359198545
Energy: 1.7984681638205096
Energy: 1.503378476327846
Energy: 1.998624069799799
Energy: 1.7990767880995364
Energy: 1.5027536967120265
Energy: 1.7318670196162416
Energy: 1.491771838903029
Energy: 1.554286023359661
Energy: 1.7324318288033371
Energy: 1.4999094538185267
Energy: 1.6463835124487867
Energy: 1.6683322735088884
Energy: 1.4830433329667383
Energy: 1.4828303236990055
Energy: 1.6703278247177116
Energy: 1.48308228467583
Energy: 1.4833000469033117
Energy: 1.3485755324248436
Energy: 1.4844634429202632
Energy: 1.4837184588036216
Energy: 1.3455748385910324
Energy: 1.6609915245020779
Energy: 1.452423109009285
Energy: 1.4740911253965718
Energy: 1.521511492701114
Energy: 1.501909551715978
Energy: 1.4738194040302783
Energy: 1.6419977991802377
Energy: 1.5035410065312413
Energy: 1.7483922788811945
Energy: 1.235956223208097
Energy: 1.429720467540108
Energy: 1.7492133993095536
Energy: 1.235289454977333
Energy: 1.4590252807422843
Energy: 1.5549825509890332
Energy: 1.1714903416396465
Energy: 1.1712195811986938
Energy: 1.5530798279896225
Energy: 1.1727547703412504
Energy: 1.2977524495208737
Energy: 1.695329591914847
Energy: 1.6032006791169129
Energy: 1.5503942557645638
Energy: 1.6975998587372887
Energy: 1.6052334054438486
Energy: 1.4367254136185048
Energy: 1.1752871591265626
Energy: 1.5290399499252667
Energy: 1.4630388089438728
Energy: 1.1731281925393484
Energy: 1.624717381326175
Energy: 1.1726688129027072
Energy: 1.2357861937586154
Energy: 1.4666703653692372
Energy: 1.4666143658833
Energy: 1.2350222753417193
Energy: 1.5025577407324455
Energy: 1.4486423147723986
Energy: 1.7701000120696182
Energy: 1.5564878126001345
Energy: 1.4615157574802904
Energy: 1.7680199152315053
Energy: 1.49453451408677
Energy: 1.4612644437838433
Energy: 1.6781070448900077
Energy: 1.3268249888733823
Energy: 1.3263551140011003
Energy: 1.6739887502350377
Energy: 1.3275577275854953
Energy: 1.3273774400188174
Energy: 1.945089201218497
Energy: 1.694929580290165
Energy: 1.593669490527842
Energy: 1.8194292307903759
Energy: 1.6726232308534712
Energy: 1.4798265950685487
Energy: 1.7402358275986598
Energy: 1.4885630150207656
Energy: 1.4889921294851687
Energy: 1.7430417989609035
Energy: 1.4915061512281034
Energy: 1.6800829488970017
Energy: 1.7594453235919556
Energy: 1.4782152888097009
Energy: 1.477965473316639
Energy: 1.759717652426071
Energy: 1.4778878293251658
Energy: 1.5055215482959956
Energy: 1.7997055076272892
Energy: 1.334238082026694
Energy: 1.488979082204728
Energy: 1.8016989627809583
Energy: 1.735689897422759
Energy: 1.5793738248190565
Energy: 1.874815978221598
Energy: 1.6843564309033907
Energy: 1.5739760698015468
Energy: 1.6910946525407953
Energy: 1.6846146440227585
Energy: 1.4477601113533476

minimum gb energy = 1.1712195811986938 eV
minimum distance =  2.57671541400775 Angstroms
sigma value = 17


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

Energy: 2.0614402754905616
Energy: 1.6477237951348123
Energy: 1.4166924036624238
Energy: 2.06541670573029
Energy: 1.647791341255605
Energy: 1.4164679264277484
Energy: 1.7527630626351967
Energy: 1.4751642601650972
Energy: 1.4747157723310844
Energy: 1.643165433249966
Energy: 1.540369344237955
Energy: 1.4321758553119037
Energy: 1.5583190735227332
Energy: 1.372265287402773
Energy: 1.2969663752272587
Energy: 1.5587174903801089
Energy: 1.410453145225817
Energy: 1.2955133723279464
Energy: 1.2936754926452647
Energy: 1.4053775533925417
Energy: 1.1957354224239696
Energy: 1.2946834106798342
Energy: 1.5230882311562186
Energy: 1.3341319109393137
Energy: 1.5464933651706028
Energy: 1.465320943580513
Energy: 1.287680201000551
Energy: 1.5468049041366763
Energy: 1.5964640281898397
Energy: 1.3956343109446943
Energy: 1.878225597691619
Energy: 1.1633861904751672
Energy: 1.3292595473321078
Energy: 1.59923302154622
Energy: 1.1640807288860966
Energy: 1.3288890471682153
Energy: 1.5423569910133974
Energy: 1.129212083404675
Energy: 1.1298704163600075
Energy: 1.5454054020558765
Energy: 1.1315544142610372
Energy: 1.2190211197793108
Energy: 1.5545705177651346
Energy: 1.3582384662774896
Energy: 1.3667415003112724
Energy: 1.5570285034335185
Energy: 1.4938163116227958
Energy: 1.3681566784377441
Energy: 1.066854938676457
Energy: 1.3384312315946398
Energy: 1.080724871778342
Energy: 1.068634430174687
Energy: 1.5506496846025852
Energy: 1.0789302706135138
Energy: 1.120300649831209
Energy: 1.3617985354636368
Energy: 1.3128051264670484
Energy: 1.1207561987724572
Energy: 1.3602238371132667
Energy: 1.3012236375692443
Energy: 1.7075149168499872
Energy: 1.1195278518034577
Energy: 1.3010782982561737
Energy: 1.626938778871137
Energy: 1.1200330425791891
Energy: 1.3003502675889278
Energy: 1.4994346417616133
Energy: 1.0777376864507193
Energy: 1.077914181213067
Energy: 1.4992979016601145
Energy: 1.0829013489712893
Energy: 1.2172797408242686
Energy: 1.3470207155289518
Energy: 1.4820604034332474
Energy: 1.324509096232672
Energy: 1.4082757473290335
Energy: 1.5200959579002724
Energy: 1.3537126033266063
Energy: 1.1298297365562575
Energy: 1.4159919456697965
Energy: 1.4150265739183854
Energy: 1.1297947185205843
Energy: 1.5552988935679763
Energy: 1.137740727589205
Energy: 1.1631982295915353
Energy: 1.3357036716110586
Energy: 1.3365860869716955
Energy: 1.1639452478583674
Energy: 1.5834825866829092
Energy: 1.3650881619692634
Energy: 1.5338024712827023
Energy: 1.320566601973753
Energy: 1.3818297565522921
Energy: 1.5347669709592027
Energy: 1.3208517857661854
Energy: 1.3678930599219101
Energy: 1.604149562570625
Energy: 1.2929418518191007
Energy: 1.2930834324518161
Energy: 1.527489890154097
Energy: 1.2920177581189154
Energy: 1.381794181299103
Energy: 1.5757349078505078
Energy: 1.394825321307477
Energy: 1.494958652422676
Energy: 1.4863697726373208
Energy: 1.5579045823330893
Energy: 1.4228107517432598
Energy: 1.6283337822616517
Energy: 1.4365622376917109
Energy: 1.4010456894923375
Energy: 1.6242115873489194
Energy: 1.6321900851320745
Energy: 1.5919308320328351
Energy: 1.6471015241785978
Energy: 1.3797938185870096
Energy: 1.3831938680565727
Energy: 1.7028502706898758
Energy: 1.6388542164600406
Energy: 1.40147458649739
Energy: 1.6318456049249346
Energy: 1.5666379258198277
Energy: 1.400825928931223
Energy: 1.6331562494428478
Energy: 1.765211892594234
Energy: 1.5029953777445848
Energy: 1.843997542548263
Energy: 1.5757514989717116
Energy: 1.4891976181410835
Energy: 1.5645012072427604
Energy: 1.5643339910592324
Energy: 1.393740543202768
Energy: 1.5988989862868352
Energy: 1.4778440454503858
Energy: 1.4745929304694978
Energy: 1.5983496973882831
Energy: 1.5476232756744794
Energy: 1.387911114047719
Energy: 1.655749052624118
Energy: 1.1960728716360558
Energy: 1.381209157296859
Energy: 1.5599797560439805
Energy: 1.598978686608272
Energy: 1.395766284550884
Energy: 1.2990157966550524
Energy: 1.3841909983344507
Energy: 1.394475576764989
Energy: 1.2992351313445922
Energy: 1.6004279944569997
Energy: 1.3943178267478218
Energy: 1.4107323711826347
Energy: 1.4421485954244797
Energy: 1.41149702696787
Energy: 1.3580284609045798
Energy: 1.4096964168631179
Energy: 1.4069145926562145
Energy: 1.879707736493378
Energy: 1.4855555477535918
Energy: 1.4377061283676351
Energy: 1.5991450523727795
Energy: 1.507278770843061
Energy: 1.3286606294633005
Energy: 1.529440148579552
Energy: 1.1292315696532675
Energy: 1.1495807620441736
Energy: 1.5320842063290476
Energy: 1.1318960727578338
Energy: 1.1494636825032414
Energy: 1.6313284512007857
Energy: 1.3345456874913595
Energy: 1.3380125932807225
Energy: 1.5795778919836003
Energy: 1.1966984451505824
Energy: 1.3553948081894842
Energy: 1.1182944900086238
Energy: 1.346934854945949
Energy: 1.3408591488781154
Energy: 1.102461120925592
Energy: 1.3936100842990549
Energy: 1.3124099426885514
Energy: 1.0868852412738597
Energy: 1.3585871367927738
Energy: 1.324530575902073
Energy: 1.0667224389018723
Energy: 1.4904423235790785
Energy: 1.2299462097548013
Energy: 1.6295078168139527
Energy: 1.3423716706663573
Energy: 1.3432154566982657
Energy: 1.5923490793652553
Energy: 1.1201126834679356
Energy: 1.364135127719156
Energy: 1.5132139071527928
Energy: 1.0658074602722352
Energy: 1.0660534533455543
Energy: 1.4899697220047432
Energy: 1.0670644395852849
Energy: 1.066023341714518
Energy: 1.7374606550517075
Energy: 1.2087288121032898
Energy: 1.3087514419189392
Energy: 1.7406231083580863
Energy: 1.1098490095085165
Energy: 1.3231374622993777
Energy: 1.1292238616488162
Energy: 1.3707828981685206
Energy: 1.361086116061037
Energy: 1.1296020003067233
Energy: 1.5189110865786235
Energy: 1.376622739638795
Energy: 1.1495792862627718
Energy: 1.3732167153933021
Energy: 1.2828391386360745
Energy: 1.149858117206969
Energy: 1.3725896466161471
Energy: 1.2582073832789147
Energy: 1.5693799958292267
Energy: 1.3726496418344294
Energy: 1.3572671335962805
Energy: 1.5430157373079265
Energy: 1.4804029579355962
Energy: 1.379395460405176
Energy: 1.5709913526837433
Energy: 1.2838282743941076
Energy: 1.2921806287245434
Energy: 1.479773307778634
Energy: 1.2873560298207682
Energy: 1.2928670744207755
Energy: 1.998472343047457
Energy: 1.540759288320499
Energy: 1.4310946621599123
Energy: 1.6389210370115588
Energy: 1.5448795816218226
Energy: 1.3624107702063344
Energy: 1.6204803475350262
Energy: 1.2917279733341924
Energy: 1.4021615108705123
Energy: 1.6014670444733339
Energy: 1.6179588362364246
Energy: 1.4011459236039665
Energy: 1.5550505053023578
Energy: 1.4335712586208451
Energy: 1.4814991942514641
Energy: 1.5515643114068682
Energy: 1.7272941161570967
Energy: 1.4931887320513832
Energy: 1.6362211205821258
Energy: 1.4068789337042948
Energy: 1.291813892454451
Energy: 1.6377710602621607
Energy: 1.4803112362079112
Energy: 1.4982066136846537
Energy: 1.6137949438726866
Energy: 1.5776580609489919
Energy: 1.4754452273918688
Energy: 1.5980928253296882
Energy: 1.6400397536969762
Energy: 1.3876113870300206

minimum gb energy = 1.0658074602722352 eV
minimum distance =  2.56303771234184 Angstroms
sigma value = 57


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

Energy: 1.8665191553762102
Energy: 1.530723408990886
Energy: 1.3357669128976293
Energy: 1.869693539305455
Energy: 1.6834290605375906
Energy: 1.3394440839234496
Energy: 1.6745439457531335
Energy: 1.3976653527825305
Energy: 1.390582958219005
Energy: 1.52434914564767
Energy: 1.436802248161302
Energy: 1.450687979815647
Energy: 1.4555302988228034
Energy: 1.304892733656601
Energy: 1.2946355352328172
Energy: 1.4582210859156823
Energy: 1.3791630580405454
Energy: 1.3374053360142975
Energy: 1.2377422530937647
Energy: 1.2949611041634348
Energy: 1.14771541725455
Energy: 1.239818381036604
Energy: 1.380690832858243
Energy: 1.2610098255847404
Energy: 1.407103714963142
Energy: 1.2181853583238096
Energy: 1.216760031131163
Energy: 1.4091659668347434
Energy: 1.447046952052186
Energy: 1.3230550501415221
Energy: 1.7476359539896729
Energy: 1.1114341600406086
Energy: 1.1589547082961105
Energy: 1.7052509864560756
Energy: 1.1106978707211268
Energy: 1.2458598181880876
Energy: 1.4562870905548482
Energy: 1.0965712496873936
Energy: 1.1750016434470796
Energy: 1.4511162919340646
Energy: 1.0947427308269637
Energy: 1.303075961630941
Energy: 1.4278752602355416
Energy: 1.2598786381293159
Energy: 1.2695412305545328
Energy: 1.4305830251996159
Energy: 1.2423660564470285
Energy: 1.2501997764119253
Energy: 1.0289169464856847
Energy: 1.375401305831215
Energy: 1.0276546702432396
Energy: 1.031966710736471
Energy: 1.3842092865863131
Energy: 1.0272637189495766
Energy: 1.0580943901301187
Energy: 1.2291474794253539
Energy: 1.233397143807442
Energy: 1.0589950664152357
Energy: 1.5008964782808825
Energy: 1.221011734929868
Energy: 1.6107710963142345
Energy: 1.013588383277996
Energy: 1.1927112532789952
Energy: 1.6136350858830388
Energy: 1.0130226433067582
Energy: 1.2167908839921668
Energy: 1.358162437557135
Energy: 0.9892546769266781
Energy: 0.9892389636416167
Energy: 1.361026597514587
Energy: 0.9986015789040809
Energy: 1.1230361536328473
Energy: 1.5359939659332855
Energy: 1.2444870842252853
Energy: 1.2411316539011894
Energy: 1.397544006537169
Energy: 1.3485319182978783
Energy: 1.2867838243120522
Energy: 0.9797270851783043
Energy: 1.240268360919187
Energy: 0.978426525009806
Energy: 0.9817908508855592
Energy: 1.364790636255097
Energy: 0.9785197351919637
Energy: 1.013836686330577
Energy: 1.2108517166089077
Energy: 1.212515859615607
Energy: 1.013417507487096
Energy: 1.2099180646249443
Energy: 1.208891545270475
Energy: 1.5329341041009892
Energy: 1.0352414687788802
Energy: 1.2200580333891635
Energy: 1.4738571003561172
Energy: 1.0451930853706501
Energy: 1.217978857528069
Energy: 1.5946980420992427
Energy: 1.0273779086420542
Energy: 1.0279136268940678
Energy: 1.3563928625117805
Energy: 1.0352491486921174
Energy: 1.2510534038077494
Energy: 1.4184960041735541
Energy: 1.3526560000757117
Energy: 1.247308002030182
Energy: 1.421112832820513
Energy: 1.45920288209591
Energy: 1.237048260142444
Energy: 1.092291749130617
Energy: 1.3517871947751108
Energy: 1.3514525115060199
Energy: 1.0943916709425872
Energy: 1.4371773732261006
Energy: 1.0919072108652188
Energy: 1.3941064103223555
Energy: 1.2467552791747742
Energy: 1.2469827000601523
Energy: 1.3961370007111045
Energy: 1.245543266974547
Energy: 1.281964686569734
Energy: 1.598241282326617
Energy: 1.2564054002062994
Energy: 1.2880196413430525
Energy: 1.4790005757494502
Energy: 1.266785904348685
Energy: 1.2904495912246474
Energy: 1.835041574081309
Energy: 1.2332421181912199
Energy: 1.21520410749965
Energy: 1.2994632976341887
Energy: 1.2440962223838812
Energy: 1.2940869488488072
Energy: 1.461126444209784
Energy: 1.4193654795896953
Energy: 1.2409535542305565
Energy: 1.4630378977042184
Energy: 1.45895936638867
Energy: 1.3136368114987524
Energy: 1.449257871202868
Energy: 1.473043738398217
Energy: 1.5010265096721533
Energy: 1.5265662850632316
Energy: 1.5327610665714932
Energy: 1.502618987159922
Energy: 1.562297239334454
Energy: 1.281128267871614
Energy: 1.2813544529701781
Energy: 1.5442372572684995
Energy: 1.2801395618284899
Energy: 1.3896445096983923
Energy: 1.5629745088165947
Energy: 1.4358003949544658
Energy: 1.324661181627852
Energy: 1.5255728308305825
Energy: 1.5667359873532338
Energy: 1.541986385609157
Energy: 1.9156870355296463
Energy: 1.4614687752648978
Energy: 1.2358338298578673
Energy: 1.9190262488422958
Energy: 1.5275914497140062
Energy: 1.3131588522447317

minimum gb energy = 0.978426525009806 eV
minimum distance =  2.52872389892219 Angstroms
sigma value = 43


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

Energy: 1.7387967467686114
Energy: 1.3253057217610962
Energy: 1.1757240952150148
Energy: 1.7408640925286207
Energy: 1.325491405199792
Energy: 1.1170039686315043
Energy: 1.2564763466072624
Energy: 1.2222370632138855
Energy: 1.1973368246378102
Energy: 1.2640251307049324
Energy: 1.2590357082022978
Energy: 1.196861370081711
Energy: 1.253442168948031
Energy: 1.089791921348232
Energy: 1.1213737110733863
Energy: 1.25564000165045
Energy: 1.1645525229200708
Energy: 1.1027500321615857
Energy: 1.0891249095927107
Energy: 1.12160656335067
Energy: 1.1210809620374182
Energy: 1.1399064136886001
Energy: 1.121407226942686
Energy: 1.101883794177811
Energy: 1.207758897965211
Energy: 1.172829150436454
Energy: 1.1331402834732993
Energy: 1.2060998727468213
Energy: 1.2893410895787032
Energy: 1.0980683105520153
Energy: 1.6504863066430093
Energy: 0.9845501408573484
Energy: 1.0173083949014408
Energy: 1.3495829279641811
Energy: 0.9843406145241921
Energy: 1.0521545199369207
Energy: 1.310450590928563
Energy: 0.977222158365046
Energy: 1.044210583924528
Energy: 1.2695854622832838
Energy: 0.9774298444885948
Energy: 1.1112630796137601
Energy: 1.2407176870983312
Energy: 1.060525846492965
Energy: 1.0601794917380067
Energy: 1.2428351466626184
Energy: 1.0518953314441504
Energy: 1.0602866159675477
Energy: 0.9136378002547214
Energy: 1.0688599953251277
Energy: 0.9120892700664233
Energy: 0.9160646912632102
Energy: 1.2224038601489107
Energy: 0.912009538615576
Energy: 0.9346917995398286
Energy: 1.1207790837572746
Energy: 1.0953376275500892
Energy: 0.9396566261271926
Energy: 1.3531622769145508
Energy: 1.0528800566886225
Energy: 1.546153753226947
Energy: 0.8821376889689114
Energy: 0.8818207271682988
Energy: 1.5488743426033573
Energy: 0.8823039209029617
Energy: 1.0320523519302287
Energy: 1.2365388308192913
Energy: 0.8623625947840391
Energy: 0.8619186250128361
Energy: 1.2134642165843348
Energy: 0.8623032612073251
Energy: 1.0640627999668475
Energy: 1.2877864081086616
Energy: 1.053223926424681
Energy: 1.0523381718470932
Energy: 1.190807574603658
Energy: 1.0299911203460468
Energy: 1.0526957233660763
Energy: 0.8372529693948447
Energy: 1.1468938987797832
Energy: 0.8472999759023763
Energy: 0.8395908366972878
Energy: 1.1487728366957788
Energy: 0.8478072156535402
Energy: 1.1415691124375706
Energy: 1.1641110376199102
Energy: 1.1513384837927731
Energy: 1.0101329179753322
Energy: 1.1337011416673086
Energy: 1.060285469102579
Energy: 1.458898974784935
Energy: 0.8493211122715114
Energy: 0.8427490068062485
Energy: 1.1089983176643026
Energy: 0.8491889204470257
Energy: 1.0288957298724006
Energy: 1.3197010867136294
Energy: 0.8387289175208571
Energy: 0.8385449111131098
Energy: 1.1430144430765008
Energy: 0.8387504157785833
Energy: 1.0283779334572505
Energy: 1.1910346599715453
Energy: 1.0720082731136609
Energy: 1.0754175956391092
Energy: 1.1701588706849786
Energy: 1.200161013537357
Energy: 1.0834697178047998
Energy: 0.8250961457925785
Energy: 1.2242899277294073
Energy: 0.8304077119203698
Energy: 0.8269123818392483
Energy: 1.144578252624726
Energy: 0.8252877669508376
Energy: 1.2610656333174004
Energy: 1.0843597571139485
Energy: 1.0848730685116585
Energy: 1.2155889402330542
Energy: 1.0225183824665334
Energy: 1.103505692146858
Energy: 1.304793573506245
Energy: 0.8440251842823955
Energy: 0.84364441698264
Energy: 1.1905652958706934
Energy: 0.8438438558366762
Energy: 1.038388311701182
Energy: 1.4649936207681238
Energy: 0.8591324938375408
Energy: 0.8472944513906557
Energy: 1.1473408646909664
Energy: 0.8592435662340255
Energy: 1.037115411296722
Energy: 1.1661838647184475
Energy: 1.1425267062819136
Energy: 1.1117183012978653
Energy: 1.1637875658818657
Energy: 1.290160558529164
Energy: 1.069848477054155
Energy: 0.8663205314287026
Energy: 1.2335631967564598
Energy: 0.8711380076873861
Energy: 0.8688225972245243
Energy: 1.1639465540253346
Energy: 0.8716785998186878
Energy: 1.2327061766145462
Energy: 1.0584230119661324
Energy: 1.0431033835335544
Energy: 1.2145314180554425
Energy: 1.039083446959638
Energy: 1.0435601774224892
Energy: 1.3412115039978072
Energy: 0.9076308118437149
Energy: 0.9072962480107224
Energy: 1.2630397449891304
Energy: 0.9043110772780121
Energy: 1.0985434356377415
Energy: 1.5990720908794398
Energy: 0.9213964705531844
Energy: 0.9214988436179326
Energy: 1.6016272146943356
Energy: 0.9215476617909588
Energy: 1.0429845503706412
Energy: 1.0899897967856507
Energy: 1.166445805245343
Energy: 1.0820153470992049
Energy: 1.107482389849536
Energy: 1.344831046743723
Energy: 1.0503915908581627
Energy: 0.9785567841382316
Energy: 1.0860444424886155
Energy: 0.977190693993331
Energy: 0.9809883360146007
Energy: 1.245337851021255
Energy: 0.9768282617042933
Energy: 1.2300418267226871
Energy: 1.0758359634937358
Energy: 1.0780201898884119
Energy: 1.2255425258506865
Energy: 1.0630456755849167
Energy: 1.0783361848013875
Energy: 1.3651412313012128
Energy: 1.0838899026390891
Energy: 1.2071202966613988
Energy: 1.335506595256559
Energy: 1.1049284053681834
Energy: 1.1267217803969554
Energy: 1.712189118028963
Energy: 1.091217229635019
Energy: 1.1143666363499742
Energy: 1.4097930321963879
Energy: 1.0868945572075297
Energy: 1.0710034435775786
Energy: 1.2309874685449216
Energy: 1.146981584281428
Energy: 1.1571673747047564
Energy: 1.2313197756907768
Energy: 1.2576543975909666
Energy: 1.1335966630506942
Energy: 1.2641626194365079
Energy: 1.1583050707907199
Energy: 1.1600411699238302
Energy: 1.3085973168441183
Energy: 1.1605776804976857
Energy: 1.0837992402356256
Energy: 1.3166818803406806
Energy: 1.1079768478587895
Energy: 1.0820505935262446
Energy: 1.3183371493020961
Energy: 1.1820940472269625
Energy: 1.0632698515000396
Energy: 1.3268383071762306
Energy: 1.285102022814671
Energy: 1.143862472119056
Energy: 1.2578231213917053
Energy: 1.2997273183967828
Energy: 1.1405429723867397

minimum gb energy = 0.8250961457925785 eV
minimum distance =  2.5427336905047 Angstroms
sigma value = 81


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

Energy: 0.3614989331460221
Energy: 1.1844623055603694
Energy: 0.08641589125465746
Energy: 0.08841937872510962
Energy: 1.348737027937455
Energy: 0.3621995487177203
Energy: 1.2592610918669793
Energy: 0.8792875415977643
Energy: 0.6345027541184948
Energy: 0.7889615471338683
Energy: 0.6378894530362487
Energy: 0.5801271905882379
Energy: 1.2698948925480773
Energy: 0.08613494893765516
Energy: 0.08605285473994616
Energy: 1.2934256219389375
Energy: 0.08598374824939203
Energy: 0.08682168433045154
Energy: 0.6539535645083122
Energy: 0.08616556297509015
Energy: 0.08700004065985002
Energy: 0.6453115383143238
Energy: 0.08610879367251513
Energy: 0.14551078182862823
Energy: 0.14460870248046626
Energy: 1.2809492207994544
Energy: 0.6908416541864514
Energy: 0.14539564076799746
Energy: 1.2726726646071698
Energy: 0.6985410432253697
Energy: 0.08704996911751366
Energy: 0.6435775318349398
Energy: 0.08653902240257597
Energy: 0.08572994716396541
Energy: 0.6424939001556046
Energy: 0.08611168498845313
Energy: 1.2770752482188734
Energy: 0.6420328722236117
Energy: 0.6422402915253212
Energy: 2.176691161972316
Energy: 0.6346563280802785
Energy: 0.6347772687019673
Energy: 1.2947222989186609
Energy: 0.08605649273855737
Energy: 0.08616130634461558
Energy: 1.2890763322968235
Energy: 0.0858394080191073
Energy: 0.08652372643062108
Energy: 0.6353094015120997
Energy: 0.08630251048222816
Energy: 0.08648832378844677
Energy: 0.6642984462135912
Energy: 0.08620088171588283
Energy: 0.1438661524926931
Energy: 0.36275284913717215
Energy: 1.5140825229553496
Energy: 0.9211341185197592
Energy: 0.08738664338787082
Energy: 1.2649466011349761
Energy: 1.1172778206931617

minimum gb energy = 0.08572994716396541 eV
minimum distance =  2.60142313925199 Angstroms
sigma value = 3


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

Energy: 1.8003808655031217
Energy: 1.3948053686189146
Energy: 1.2282063329772672
Energy: 1.8030546422556053
Energy: 1.4215821232749202
Energy: 1.4126296400950769
Energy: 1.286028794458058
Energy: 1.2507374964234161
Energy: 1.249765218122436
Energy: 1.2860259551297402
Energy: 1.2594215528267254
Energy: 1.2781240095432755
Energy: 1.2346479169402942
Energy: 1.195671955530873
Energy: 1.2000887107256109
Energy: 1.2347952535269344
Energy: 1.1983938203865794
Energy: 1.1528807813477222
Energy: 1.1098779751413366
Energy: 1.2269662675600679
Energy: 1.2268535504098712
Energy: 1.1038363376627336
Energy: 1.2086419296742916
Energy: 1.2642639688718262
Energy: 1.1098532755188033
Energy: 1.2426781178976847
Energy: 1.2782537877775002
Energy: 1.1083912167692966
Energy: 1.2550024363664725
Energy: 1.278325849226332
Energy: 1.7884775327799907
Energy: 1.3322752969034357
Energy: 1.2175191604474944
Energy: 1.4712609331751294
Energy: 1.2999967197976112
Energy: 1.1539722841079822
Energy: 1.1088079139855758
Energy: 1.2280110000706768
Energy: 1.0708586305343113
Energy: 1.1400787887802346
Energy: 1.129436845424769
Energy: 1.1750286612161953
Energy: 1.1013191617079892
Energy: 1.1415361594003657
Energy: 1.1591311474364696
Energy: 1.1007595295851074
Energy: 1.1168803282267386
Energy: 1.062658298654415
Energy: 1.2817419423092582
Energy: 1.1671324709696658
Energy: 1.2012405598904303
Energy: 1.2839926522712517
Energy: 1.1145538461043503
Energy: 1.1978603668106036
Energy: 1.1661308029730901
Energy: 0.998201734672993
Energy: 0.9978396967828433
Energy: 1.1656758654502366
Energy: 1.002233101308673
Energy: 1.079412475805244
Energy: 1.6490968334132896
Energy: 1.1200115698810267
Energy: 1.1479742754367939
Energy: 1.3874997341013482
Energy: 1.1183824225295058
Energy: 1.1240008257450376
Energy: 0.9430194654133274
Energy: 1.1538038950370102
Energy: 1.1561306483342466
Energy: 0.9419935203174967
Energy: 1.1942137047197952
Energy: 1.01845362663864
Energy: 0.9374515533165048
Energy: 1.0935055401685365
Energy: 1.1380452565510912
Energy: 0.9375991714965064
Energy: 1.266465200953687
Energy: 1.1294055871976245
Energy: 1.3355364597593122
Energy: 1.1147942522982544
Energy: 1.1156233238481776
Energy: 1.3380019788646043
Energy: 1.0581524407858482
Energy: 1.123969671854617
Energy: 1.1253680419825736
Energy: 0.8952271055605426
Energy: 0.8945770881845028
Energy: 1.125611829290293
Energy: 0.8983271927859287
Energy: 1.0101660539534616
Energy: 1.0569283626711519
Energy: 1.0950727584931237
Energy: 1.094439570411861
Energy: 1.0527615517313673
Energy: 1.0627514219153065
Energy: 1.120516046744215
Energy: 0.879567129471416
Energy: 1.0787706050582766
Energy: 1.1185596609374995
Energy: 0.8794638603072177
Energy: 1.059704289713393
Energy: 0.9525168661018961
Energy: 0.8827595692109899
Energy: 1.0989152998704055
Energy: 1.099051998692319
Energy: 0.8826636239292466
Energy: 1.3689198244853669
Energy: 1.109501521287627
Energy: 1.4254263586639422
Energy: 1.051138094641099
Energy: 1.0842787492158947
Energy: 1.2097641629159812
Energy: 1.052175000888752
Energy: 1.084273152012815
Energy: 1.1135288690567295
Energy: 0.8796178769734316
Energy: 0.9170257294027875
Energy: 1.0838560141760951
Energy: 0.8795315767735457
Energy: 0.9528901813341143
Energy: 1.0598441437909663
Energy: 1.1238553938507625
Energy: 1.1248646865296419
Energy: 1.0616424258876296
Energy: 1.1074875045305927
Energy: 1.1202899289093842
Energy: 0.8969502613786049
Energy: 1.0650001219734087
Energy: 1.1062685782396402
Energy: 0.8955277116889465
Energy: 1.0590104140356242
Energy: 0.894904708237851
Energy: 0.9070635791671647
Energy: 1.1912762477845995
Energy: 1.1636689121427646
Energy: 0.9067833239583872
Energy: 1.218860369896249
Energy: 1.1531427267846976
Energy: 1.520109235083003
Energy: 0.935083521389988
Energy: 1.0938177361837045
Energy: 1.5226540518441378
Energy: 0.9349648187119829
Energy: 1.1055161769456159
Energy: 1.2155061703721792
Energy: 0.9369771903785049
Energy: 1.0130824744986586
Energy: 1.1285403913914334
Energy: 0.9372726176318369
Energy: 1.0144244208562496
Energy: 1.1206616545545216
Energy: 1.1374672998288131
Energy: 1.137727470775043
Energy: 1.122573076277821
Energy: 1.0858071681017334
Energy: 1.1627845025954693
Energy: 0.9980521291786848
Energy: 1.1429354941099688
Energy: 1.1382231889101897
Energy: 1.0004240523167622
Energy: 1.1796206178591548
Energy: 0.998079598831671
Energy: 0.978347709505671
Energy: 1.2109760599528863
Energy: 1.1986299914738614
Energy: 0.9834108676194172
Energy: 1.1761681852747279
Energy: 1.1376481009901733
Energy: 1.7123051778457843
Energy: 1.1026928646582557
Energy: 1.1039712946267972
Energy: 1.4082012245341589
Energy: 1.1027329704099817
Energy: 1.1302286153749432
Energy: 1.1278762781514369
Energy: 1.174822308203169
Energy: 1.1783228533473518
Energy: 1.127655654926866
Energy: 1.1679509866454298
Energy: 1.1748037765871964
Energy: 1.1254419535893936
Energy: 1.1844305797820656
Energy: 1.1792403006114085
Energy: 1.1249582913333918
Energy: 1.13351470762546
Energy: 1.1789871855624992
Energy: 1.2524556040437143
Energy: 1.1704668382658696
Energy: 1.2451137277141588
Energy: 1.2549603189295861
Energy: 1.0680189569355318
Energy: 1.2421999659661516
Energy: 1.1940907588277512
Energy: 1.2722662751478153
Energy: 1.1173865818783566
Energy: 1.1941093532689353
Energy: 1.267433209606653
Energy: 1.2207657358987296

minimum gb energy = 0.8794638603072177 eV
minimum distance =  2.52034858876407 Angstroms
sigma value = 67


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

Energy: 1.7554713504161237
Energy: 1.6721201739849068
Energy: 1.401235708204035
Energy: 1.758342487406706
Energy: 1.6715603292677061
Energy: 1.4403093918000134
Energy: 1.4906685834393874
Energy: 1.4474016018381421
Energy: 1.4499299883356744
Energy: 1.4894606317139887
Energy: 1.4433288867126033
Energy: 1.5044127022853542
Energy: 1.4259050233666102
Energy: 1.3924753117323954
Energy: 1.5568526326202519
Energy: 1.4271514407009445
Energy: 1.2980092587874927
Energy: 1.448601275987657
Energy: 1.3346132786791995
Energy: 1.539370097912277
Energy: 1.5404824061835451
Energy: 1.3228264163562664
Energy: 1.3909538809640458
Energy: 1.5934992506026675
Energy: 1.262359667374722
Energy: 1.5578126153311693
Energy: 1.481979331364274
Energy: 1.2626687406544908
Energy: 1.4263007994980863
Energy: 1.4784498384032148
Energy: 1.7473134738344427
Energy: 1.458287879912393
Energy: 1.4058060585048515
Energy: 1.6970546508906563
Energy: 1.4581034853939667
Energy: 1.4075111353753713
Energy: 1.2636632883527028
Energy: 1.4808009471417487
Energy: 1.316950181787282
Energy: 1.2654352250405951
Energy: 1.476751113176787
Energy: 1.3724008372279075
Energy: 1.2426199945064151
Energy: 1.3300038347820993
Energy: 1.3461443940277407
Energy: 1.2444774530085714
Energy: 1.3601398610760187
Energy: 1.3116347198052216
Energy: 1.5080148095652717
Energy: 1.3750037660984449
Energy: 1.3787166098388903
Energy: 1.509592527362114
Energy: 1.2315698756056281
Energy: 1.376144884317102
Energy: 1.3752295744862542
Energy: 1.1294284113632327
Energy: 1.1188979982444327
Energy: 1.3740756381907933
Energy: 1.1268014332321796
Energy: 1.2927056243549484
Energy: 1.8305935785464031
Energy: 1.2999104628352003
Energy: 1.3259069453694423
Energy: 1.3105092932482627
Energy: 1.27152532836006
Energy: 1.3321459474426844
Energy: 1.0720428018322268
Energy: 1.3770448670786501
Energy: 1.343463071700806
Energy: 1.0719851043620956
Energy: 1.3962807676819606
Energy: 1.2006770304791756
Energy: 1.0757010108462524
Energy: 1.3541495041483862
Energy: 1.338771691590361
Energy: 1.0727600770311931
Energy: 1.5066666394872712
Energy: 1.2069092201489895
Energy: 1.6692706335360126
Energy: 1.3037978275495106
Energy: 1.3032811386357372
Energy: 1.516322615893836
Energy: 1.2393691045461177
Energy: 1.3114363766335264
Energy: 1.3332619326187898
Energy: 1.0779335715452798
Energy: 1.0725085796937752
Energy: 1.308394877567555
Energy: 1.0751046329411151
Energy: 1.1986019843928628
Energy: 1.5580091828307068
Energy: 1.3239983836863152
Energy: 1.322325660113195
Energy: 1.3907658374193346
Energy: 1.2260393940846355
Energy: 1.3439449339776266
Energy: 1.1228917697670775
Energy: 1.3045232683824175
Energy: 1.3208187869787686
Energy: 1.1212019808173643
Energy: 1.2909738974378775
Energy: 1.2661386039421727
Energy: 1.1338742654482463
Energy: 1.411193162907236
Energy: 1.4213051711357705
Energy: 1.1347469302345872
Energy: 1.3870418313521962
Energy: 1.3507305022661549
Energy: 1.6524814249583972
Energy: 1.3375453997457118
Energy: 1.358267920712319
Energy: 1.5740211211950055
Energy: 1.3418049976290773
Energy: 1.3638483283384006
Energy: 1.2834546285448798
Energy: 1.242913701304938
Energy: 1.3497334948039565
Energy: 1.2695951466416027
Energy: 1.2412340801430428
Energy: 1.3482774181485497
Energy: 1.4647826176070422
Energy: 1.4339038241299555
Energy: 1.4414110144004297
Energy: 1.4666647139333688
Energy: 1.341660426545164
Energy: 1.4836576207272558
Energy: 1.4255480424723737
Energy: 1.3810019852349882
Energy: 1.4605227319747698
Energy: 1.426922156162982
Energy: 1.3200809480458235
Energy: 1.3884642942435323
Energy: 1.3561486651365342
Energy: 1.3912534305389597
Energy: 1.442770407532429
Energy: 1.3440419809028077
Energy: 1.2740532823179898
Energy: 1.339824607987015

minimum gb energy = 1.0719851043620956 eV
minimum distance =  2.49641779105075 Angstroms
sigma value = 33


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

Energy: 1.9626493599701855
Energy: 1.8446015827410631
Energy: 1.8053632509418849
Energy: 1.9590227816227728
Energy: 2.0607120169763986
Energy: 1.5274375586926365
Energy: 1.5942723700972414
Energy: 1.5361086724820672
Energy: 1.5356191537847146
Energy: 1.5923802355340257
Energy: 1.5348055645186387
Energy: 1.6085369177940103
Energy: 1.5637525547700526
Energy: 1.6763973738419147
Energy: 1.6771112242595487
Energy: 1.5477142995227007
Energy: 1.6763513814387365
Energy: 1.5463295449038543
Energy: 1.4272192126424021
Energy: 1.6611471583928767
Energy: 1.6641970593549038
Energy: 1.429103048627605
Energy: 1.53952720397601
Energy: 1.6521511216437852
Energy: 1.3292063734615447
Energy: 1.6730283757299498
Energy: 1.607099356224464
Energy: 1.3294317160802307
Energy: 1.670816209755902
Energy: 1.6031373390818398
Energy: 1.82634875036266
Energy: 1.568307325145536
Energy: 1.6663513905306455
Energy: 1.826545883009723
Energy: 1.568315204519412
Energy: 1.499437572772527
Energy: 1.3319321398739363
Energy: 1.5331921556805632
Energy: 1.5671669606128653
Energy: 1.3309639062417857
Energy: 1.5974742336119852
Energy: 1.4842400842366552
Energy: 1.2993736626995354
Energy: 1.5009571673260298
Energy: 1.4756363044909206
Energy: 1.3002165701650654
Energy: 1.5008974800042778
Energy: 1.3725401707253697
Energy: 1.6603384523444613
Energy: 1.4656829353366458
Energy: 1.4659727892981642
Energy: 1.502952703284186
Energy: 1.2840925554149107
Energy: 1.464761652884487
Energy: 1.642491641611263
Energy: 1.1975687702211186
Energy: 1.1971880257041583
Energy: 1.4593144874016044
Energy: 1.2006412618734152
Energy: 1.3763208819505517
Energy: 1.7836031230845792
Energy: 1.3997776198034921
Energy: 1.4303652046166135
Energy: 1.3862954795581597
Energy: 1.3441243778122978
Energy: 1.4420269281482818
Energy: 1.1912659660098905
Energy: 1.499587060237935
Energy: 1.4902493662443652
Energy: 1.1913852974132628
Energy: 1.5178151413895284
Energy: 1.3404522244718682
Energy: 1.2007778968094986
Energy: 1.5329945646345664
Energy: 1.4902172969016347
Energy: 1.200750287860826
Energy: 1.520530196237077
Energy: 1.3544303487323146
Energy: 1.7817570433014074
Energy: 1.4089776895618042
Energy: 1.4755955424643554
Energy: 1.689662984795542
Energy: 1.4103624588012098
Energy: 1.4764974445421526
Energy: 1.4824884407435839
Energy: 1.363995597734136
Energy: 1.3749282490299373
Energy: 1.4018692991152353
Energy: 1.2996684463195223
Energy: 1.4358445419649124
Energy: 1.5380884510303259
Energy: 1.5288090423577991
Energy: 1.5313430570954938
Energy: 1.5382032680815865
Energy: 1.2314206807105579
Energy: 1.4766335410629001
Energy: 1.5476781566459445
Energy: 1.5505850426681134
Energy: 1.557403015173492
Energy: 1.5464996422436739
Energy: 1.5562663538822064
Energy: 1.4719933530199563
Energy: 1.598211438308691
Energy: 1.494658848078166
Energy: 1.5344932419172164
Energy: 1.5996132545024333
Energy: 1.4958332025118233
Energy: 1.6072324765576724
Energy: 1.9645131601299977
Energy: 1.5287088009861507
Energy: 1.7447684751439996
Energy: 1.9660924946971527
Energy: 1.5295166939076792
Energy: 1.5257178966569636
Energy: 1.4266499892967464
Energy: 1.5359604299590888
Energy: 1.5357608513550212
Energy: 1.4266372186182106
Energy: 1.5340058850950733
Energy: 1.5276604891935828
Energy: 1.5612054540375115
Energy: 1.5974356095729296
Energy: 1.5976758641892463
Energy: 1.6064251366565787
Energy: 1.6777919934116188
Energy: 1.546118351390174
Energy: 1.4265085658293835
Energy: 1.6737590185213558
Energy: 1.6847554486581118
Energy: 1.426349739862804
Energy: 1.6689558415169756
Energy: 1.6813556743109312
Energy: 1.3290734459931772
Energy: 1.6336483252768608
Energy: 1.6079099883024128
Energy: 1.3293225461044782
Energy: 1.6325056699340748
Energy: 1.6025664480138244
Energy: 1.8175431136119085
Energy: 1.5675436992352896
Energy: 1.665914910347988
Energy: 1.8238873092215462
Energy: 1.6679329175202473
Energy: 1.6191760193364189
Energy: 1.3308644747400318
Energy: 1.5321758832591004
Energy: 1.5647676821180856
Energy: 1.330640915819488
Energy: 1.550746657383772
Energy: 1.4842133549769139
Energy: 1.2971792726348648
Energy: 1.5033694178417605
Energy: 1.5156657570666803
Energy: 1.2984704327458831
Energy: 1.500142193269093
Energy: 1.3719999455404757
Energy: 1.5016273020953472
Energy: 1.4660069581017563
Energy: 1.5043457641131461
Energy: 1.5031224769360776
Energy: 1.2844716391050994
Energy: 1.54728154480517
Energy: 1.5663126178406193
Energy: 1.2028592085721392
Energy: 1.3422254352896927
Energy: 1.4963884070068452
Energy: 1.2027772619021686
Energy: 1.342882508253164
Energy: 1.695259600894118
Energy: 1.4219750028921054
Energy: 1.4317841106387919
Energy: 1.6033454434270762
Energy: 1.3467015659409902
Energy: 1.4439772196556737
Energy: 1.1907010007632595
Energy: 1.5012876751200248
Energy: 1.4968707739324556
Energy: 1.1905820072310118
Energy: 1.515924752034473
Energy: 1.4187759557823099
Energy: 1.2027329139764396
Energy: 1.502884365980712
Energy: 1.444862922927837
Energy: 1.201250392624917
Energy: 1.5189887856041837
Energy: 1.3548549089610071
Energy: 1.7841925467923705
Energy: 1.455825973897214
Energy: 1.4874468568215358
Energy: 1.410499449915991
Energy: 1.4108779331331118
Energy: 1.4752771282407278
Energy: 1.4532256676836968
Energy: 1.2981884897282026
Energy: 1.3646668252225056
Energy: 1.4017225338205497
Energy: 1.3007096579145405
Energy: 1.4366457809098152
Energy: 1.5353582767547642
Energy: 1.4970947903127736
Energy: 1.4780486919592655
Energy: 1.537144517354353
Energy: 1.2309016102527637
Energy: 1.476692242463962
Energy: 1.5461878081208447
Energy: 1.5505992460756277
Energy: 1.5572890844213914
Energy: 1.546074809909847
Energy: 1.6837994858830616
Energy: 1.5599531480196278
Energy: 1.595978822916162
Energy: 1.4945897538001234
Energy: 1.608386092455582
Energy: 1.55568914010988
Energy: 1.5465387304268432
Energy: 1.6074056812117177
Energy: 2.059569597143472
Energy: 1.5300263024137228
Energy: 1.7416820953968664
Energy: 1.9681437401786488
Energy: 1.528895991765567
Energy: 1.5252460589719152

minimum gb energy = 1.1905820072310118 eV
minimum distance =  2.52987639197682 Angstroms
sigma value = 41


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

Energy: 1.8314271100181223
Energy: 2.2261751553202793
Energy: 1.9305815109123887
Energy: 1.833835465502527
Energy: 2.3629415185563287
Energy: 1.966350459740186
Energy: 1.687592312285948
Energy: 1.6121520274686059
Energy: 1.6155273377067394
Energy: 1.6877045761518739
Energy: 1.6859666777547648
Energy: 1.7078380744568507
Energy: 1.8229490848006291
Energy: 1.8057663969179194
Energy: 1.810654362128708
Energy: 1.8054061852241863
Energy: 1.6104583342560643
Energy: 1.613336127054527
Energy: 1.5185999091389086
Energy: 1.7782610097550882
Energy: 1.7731858180128044
Energy: 1.6391160289653832
Energy: 1.666525246141624
Energy: 1.3988939531436073
Energy: 1.4002621145339895
Energy: 1.7751268376996296
Energy: 1.8302064095421953
Energy: 1.4003152387343387
Energy: 1.8385188932994316
Energy: 1.8281132087701262
Energy: 1.7077320971247831
Energy: 1.7166645475563158
Energy: 1.7926428459165573
Energy: 1.7092647804430867
Energy: 1.7713435961956139
Energy: 1.8067908682999736
Energy: 1.4004601109619024
Energy: 1.608007116495061
Energy: 1.663837879515387
Energy: 1.4006457281689204
Energy: 1.65720653120607
Energy: 1.5887742998468073
Energy: 1.3716556723942088
Energy: 1.643138096466368
Energy: 1.5865791381029577
Energy: 1.373372938694882
Energy: 1.7152564299807462
Energy: 1.469712892290473
Energy: 1.7086961666674487
Energy: 1.6004513548583001
Energy: 1.629665339039206
Energy: 1.7105115316915747
Energy: 1.4254443011436377
Energy: 1.642115243432698
Energy: 1.5654514758261293
Energy: 1.506531079920471
Energy: 1.5040355417877138
Energy: 1.4753037445301123
Energy: 1.5235993363263471
Energy: 1.5336745190604872
Energy: 1.691073929774858
Energy: 1.6647742392839966
Energy: 1.4640770807652825
Energy: 1.6931269078896602
Energy: 1.317364220753045
Energy: 1.4640705622455252
Energy: 1.804761483277715
Energy: 1.6780204234068865
Energy: 1.6952455503867392
Energy: 1.6783821905188157
Energy: 1.8404275251369042
Energy: 1.6525200548564987
Energy: 1.7681293873739539
Energy: 1.5248548847389876
Energy: 1.7093865184024455
Energy: 1.6872173423276566
Energy: 1.6465180758983617
Energy: 1.7055903300867572
Energy: 1.9811853111793596
Energy: 1.675092657331081
Energy: 1.9263747019142652
Energy: 1.8627880192272275
Energy: 1.6700657249921886
Energy: 1.9375042931057564

minimum gb energy = 1.317364220753045 eV
minimum distance =  2.47540953192572 Angstroms
sigma value = 11


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

Energy: 2.2599150852155274
Energy: 2.476882125278911
Energy: 2.144996639354555
Energy: 2.2637040748542456
Energy: 2.47640546953731
Energy: 1.9533528617540588
Energy: 1.9478903830011818
Energy: 1.6371561114406668
Energy: 1.6400896227800157
Energy: 1.948583359208016
Energy: 1.7193034632565496
Energy: 1.7867630349545187
Energy: 2.0693384252829845
Energy: 1.966545321397652
Energy: 1.9395991618358759
Energy: 2.0708064924444365
Energy: 1.999813738264237
Energy: 2.052195259897754
Energy: 1.899768516870008
Energy: 1.9544158524350794
Energy: 1.87952276236878
Energy: 1.901092563896496
Energy: 1.6426833443981113
Energy: 1.8882423826856125
Energy: 1.9056876159744054
Energy: 1.645930355183826
Energy: 1.689046255267243
Energy: 1.766270608702225
Energy: 1.681108302376212
Energy: 1.7716457370066994
Energy: 1.8419775794457482
Energy: 1.62838280752638
Energy: 1.750007553092308
Energy: 1.7937822067664264
Energy: 1.5927436261511845
Energy: 1.7492463544666532
Energy: 1.5781814497153022
Energy: 1.7771188624783796
Energy: 1.7420069945016945
Energy: 1.580487797123074
Energy: 1.729356595858338
Energy: 1.7442662976208696
Energy: 1.5687995759431599
Energy: 1.71428567939971
Energy: 1.739342311003509
Energy: 1.5710055388653843
Energy: 1.7168514717803345
Energy: 1.7117945015797604
Energy: 1.7819023198972652
Energy: 1.8332048908326328
Energy: 1.8624277972972587
Energy: 1.7818891815369742
Energy: 1.8318799800657646
Energy: 2.0090065957309813
Energy: 1.7818529604752236
Energy: 1.8804097994845748
Energy: 1.8808314495369032
Energy: 1.7818457608557023
Energy: 1.977911821764046
Energy: 2.00875084244683
Energy: 1.8414717630263944
Energy: 1.7943950060066196
Energy: 1.839199535202269
Energy: 1.8435043647071434
Energy: 1.6742228108506962
Energy: 1.7065771012308595
Energy: 2.1028945923431395
Energy: 2.1532364894362024
Energy: 2.089260016643745
Energy: 2.1030379607327045
Energy: 2.155233415719222
Energy: 2.0291787366532206
Energy: 1.5182099389849433
Energy: 1.9311374721115697
Energy: 1.8423967331076727
Energy: 1.5180846690369632
Energy: 2.0434557299996805
Energy: 1.7884813325313431
Energy: 1.9855496726256836
Energy: 1.8724387042505592
Energy: 1.8717999110923798
Energy: 1.9626607876069393
Energy: 1.9111873576000766
Energy: 1.9315402220525035
Energy: 1.5174815249235758
Energy: 1.9462554459653152
Energy: 1.8196301894460785
Energy: 1.5171057836664705
Energy: 1.8752054281290855
Energy: 1.7424388425878412
Energy: 1.5142215546451743
Energy: 1.7321601522373227
Energy: 1.7471545361060503
Energy: 1.5149590402070334
Energy: 1.7323506306328973
Energy: 1.6224910298294792
Energy: 1.5291175355490108
Energy: 1.7390926170100562
Energy: 1.7058591454412173
Energy: 1.5289718431110435
Energy: 1.7360780963427023
Energy: 1.716482486763144
Energy: 1.8662967793204484
Energy: 1.6869507115434377
Energy: 1.7764710550060054
Energy: 1.858993855910588
Energy: 1.6938609218805152
Energy: 1.8467879224571009
Energy: 1.6335326122677813
Energy: 1.7338157673777863
Energy: 1.8002674304448152
Energy: 1.5579318681278542
Energy: 1.7332861991015636
Energy: 1.740870026317713
Energy: 1.850881774593899
Energy: 2.0408236665411095
Energy: 1.988116545494989
Energy: 2.067247990716627
Energy: 2.1401046973316094
Energy: 2.1324173888250133
Energy: 1.8360445625449706
Energy: 1.9883076387316772
Energy: 1.8028336786872936
Energy: 1.8944932966148889
Energy: 1.639459147999955
Energy: 1.713226744809562
Energy: 1.5847054386374737
Energy: 1.7482842104454597
Energy: 1.7812025692998168
Energy: 1.7242065626702126
Energy: 1.9965422718335195
Energy: 1.7936400877000176
Energy: 2.2549733408749137
Energy: 1.8405012341552391
Energy: 2.043882155745188
Energy: 2.1542499486724536
Energy: 1.9042274416731728
Energy: 2.0626976286698713
Energy: 1.786828255101026
Energy: 1.5708833711791375
Energy: 1.6819372917497768
Energy: 1.7554517182413998
Energy: 1.5707251787063525
Energy: 1.7864663600817248
Energy: 1.6727432234976187
Energy: 1.8958441492090734
Energy: 1.8476666125997165
Energy: 1.675449065943726
Energy: 1.7929363803136977
Energy: 1.8276157159602253
Energy: 1.9943350847470873
Energy: 1.6653503568834296
Energy: 1.7043090912202254
Energy: 1.8030404544985439
Energy: 1.5367600591726371
Energy: 1.7187255597461881
Energy: 1.8255068219999642
Energy: 1.542696299405387
Energy: 1.5389154538749559
Energy: 1.7966992503561463
Energy: 1.5453245989517181
Energy: 1.66729887195641
Energy: 1.9630005034321105
Energy: 1.7262021924139868
Energy: 1.7434330420203565
Energy: 1.9003065148136786
Energy: 1.557671493877077
Energy: 1.8132464486085609
Energy: 1.914277035066287
Energy: 1.9235267974652592
Energy: 1.8434452369607026
Energy: 1.8595656950958106
Energy: 1.8617493696105267
Energy: 1.813939491973633
Energy: 2.0294267080404476
Energy: 1.5837344218126395
Energy: 1.6649325275032423
Energy: 2.0295526579182335
Energy: 1.5835172741994175
Energy: 1.79559856540516
Energy: 2.267718241252422
Energy: 1.9538012250935377
Energy: 2.1202536076871086
Energy: 2.263764997808377
Energy: 2.0091803419455427
Energy: 2.1315476175033377

minimum gb energy = 1.5142215546451743 eV
minimum distance =  2.48694057322088 Angstroms
sigma value = 57


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

Energy: 2.03522778646857
Energy: 2.5708849996456005
Energy: 1.8687017698458936
Energy: 2.0398257525927925
Energy: 2.5507645021328007
Energy: 1.8722291776731177
Energy: 1.786307156777559
Energy: 1.8774160622550609
Energy: 1.9107885346300615
Energy: 1.7876473674939313
Energy: 1.9737195874004698
Energy: 1.9476077339891111
Energy: 2.017661334566008
Energy: 1.786160659663064
Energy: 1.824951055651057
Energy: 2.018935988688379
Energy: 1.789569532889473
Energy: 2.0983569464940683
Energy: 1.9098121268776442
Energy: 1.8641890419351472
Energy: 1.8602925752287454
Energy: 1.911745549132593
Energy: 2.002040858131547
Energy: 1.6957655253587853
Energy: 1.6952369391988902
Energy: 1.8191618337188702
Energy: 1.8209893985325252
Energy: 1.5258563258748552
Energy: 1.8936687742259832
Energy: 1.85199189883458
Energy: 1.9971906207339123
Energy: 1.7797728446724224
Energy: 1.7799999448709054
Energy: 1.9992069381079083
Energy: 1.7637985093957407
Energy: 1.9011532894231533
Energy: 1.6350886193280234
Energy: 1.5871990427321403
Energy: 1.6625762792595895
Energy: 1.637307985521624
Energy: 1.59056820557524
Energy: 1.7615393955506191
Energy: 1.7855324998107562
Energy: 1.7710396177398922
Energy: 1.8028992674964714
Energy: 1.7874646446316855
Energy: 1.8077718641863418
Energy: 1.8135925287366303
Energy: 1.929241380376409
Energy: 1.8147390013065923
Energy: 1.8582171425820975
Energy: 1.712360022210412
Energy: 1.810269011716212
Energy: 1.8887250373383573
Energy: 1.9302341119310515
Energy: 1.8123702886298443
Energy: 1.8593344961594993
Energy: 1.7122005211980178
Energy: 1.8113019512254034
Energy: 1.8892198986810589
Energy: 1.785345275865693
Energy: 1.8062332658524078
Energy: 1.7975063480869498
Energy: 1.787002098280491
Energy: 1.8467511796166998
Energy: 1.9075649070997343
Energy: 2.0872675773022493
Energy: 1.8093260595053695
Energy: 1.7680056160898636
Energy: 2.0876367210149476
Energy: 1.813531342375349
Energy: 2.0796961462911554
Energy: 1.6978647852804796
Energy: 1.8266189884039596
Energy: 1.8259613343592194
Energy: 1.6973230677735518
Energy: 1.9173918513759558
Energy: 1.8226043075465084
Energy: 1.9985490326382689
Energy: 1.7816226209763313
Energy: 1.8972707328710892
Energy: 1.8183704606719537
Energy: 1.873947037735363
Energy: 1.8217536729893578
Energy: 1.6996708296309464
Energy: 1.7444985529832027
Energy: 1.8081918372781767
Energy: 1.69980308500214
Energy: 1.745955319163966
Energy: 1.8065447032220743
Energy: 1.8275086263530116
Energy: 1.5645838410997408
Energy: 1.6069269674069584
Energy: 1.829289424621183
Energy: 1.5682048871095002
Energy: 1.674213491724778
Energy: 1.4371249686900993
Energy: 1.734385460906088
Energy: 1.7792374377194766
Energy: 1.437439872902053
Energy: 1.734456654610582
Energy: 1.802853720852535

minimum gb energy = 1.4371249686900993 eV
minimum distance =  2.48821937957041 Angstroms
sigma value = 9


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

Energy: 2.3745223952864
Energy: 2.5794491290536903
Energy: 2.094697517888834
Energy: 2.3783437965668774
Energy: 2.7663112477706133
Energy: 2.2406547818846776
Energy: 2.0634638384458825
Energy: 1.9813203752805384
Energy: 1.9411517573690202
Energy: 2.066448771663253
Energy: 2.018135279559998
Energy: 1.8940639284115026
Energy: 1.95056848713015
Energy: 1.7716303487932923
Energy: 1.9706529543590003
Energy: 1.950606368868269
Energy: 1.753511510294012
Energy: 2.0056591952262766
Energy: 1.833986835004532
Energy: 1.8029907053327867
Energy: 1.8562221980024938
Energy: 1.8353819690306208
Energy: 1.8562546632464045
Energy: 1.8022886371689144
Energy: 1.6901502591943434
Energy: 1.7605330182300527
Energy: 1.7118027682968184
Energy: 1.6884886228063132
Energy: 1.6799683794332214
Energy: 1.711036302143258
Energy: 1.6434052740627418
Energy: 1.711238086403154
Energy: 1.709136289878012
Energy: 1.6448638047065882
Energy: 1.7389905446256848
Energy: 1.706411876623484
Energy: 1.9734243848487456
Energy: 1.8505033589064035
Energy: 2.196377286272915
Energy: 1.9736134515257209
Energy: 1.8401774448273025
Energy: 2.1848481190285813
Energy: 1.94472943568281
Energy: 1.72868952090454
Energy: 1.7869382829486455
Energy: 1.9470460443397983
Energy: 1.8461398852107302
Energy: 1.8002331435587722
Energy: 2.0957836908522824
Energy: 1.9808435635927715
Energy: 1.9835724244584316
Energy: 1.8837228060040456
Energy: 2.0543503418117823
Energy: 2.0292743806935514
Energy: 2.139726807908728
Energy: 1.8991172248191381
Energy: 1.934037524752484
Energy: 2.017755976609449
Energy: 1.893784496451141
Energy: 1.8831964992782266
Energy: 1.776384172091679
Energy: 1.720327504228702
Energy: 1.7368635869864402
Energy: 1.7783269024909245
Energy: 1.735165663119637
Energy: 1.7254365744674485
Energy: 1.703698810977982
Energy: 1.7674507843500011
Energy: 1.7799656941394646
Energy: 1.706287206790351
Energy: 1.7009682853591839
Energy: 1.743910869817164
Energy: 1.834555620153621
Energy: 1.9276292670586423
Energy: 1.9427491584899677
Energy: 1.837052135359223
Energy: 1.914221528752451
Energy: 1.8522888831650894
Energy: 1.9193110093734191
Energy: 1.9917828284601056
Energy: 1.8736054247061544
Energy: 1.9217625055625565
Energy: 1.9904669313686472
Energy: 1.8899400332481575
Energy: 1.9461651738162944
Energy: 1.9445365539806607
Energy: 1.8885623789923673
Energy: 1.947129463158279
Energy: 1.8518428712371053
Energy: 1.9861254280136478
Energy: 2.0886203599870186
Energy: 2.0323516338840935
Energy: 1.9075728482826948
Energy: 2.089218612385637
Energy: 2.1039009775334105
Energy: 2.249451587827344
Energy: 1.8710463479289878
Energy: 1.9491084886004961
Energy: 1.8197737277179096
Energy: 1.8195106735039874
Energy: 1.948060549611207
Energy: 1.8210033710786622
Energy: 1.7882284891905618
Energy: 1.8180300092178976
Energy: 1.7978190936996383
Energy: 1.7902251349354228
Energy: 1.7505217423303012
Energy: 1.8195438981436372
Energy: 1.7333164918234063
Energy: 1.832748924254296
Energy: 1.8563248952871882
Energy: 1.735044786497057
Energy: 1.7275401249539277
Energy: 1.8539525104462118
Energy: 1.9452875166252683
Energy: 1.7906384833945304
Energy: 1.790985716844792
Energy: 1.9468691783973417
Energy: 1.7484156303167608
Energy: 1.8335498743715049
Energy: 2.086723435928124
Energy: 1.9954575696837786
Energy: 1.8709486964750484
Energy: 1.8955756106271044
Energy: 1.936836651655117
Energy: 1.8497731067229604

minimum gb energy = 1.6434052740627418 eV
minimum distance =  2.46572579931773 Angstroms
sigma value = 27


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

Energy: 1.8945003098668352
Energy: 2.357530096240852
Energy: 1.9133826917507863
Energy: 1.8975167745273396
Energy: 2.5539007190199507
Energy: 1.8986817755949916
Energy: 2.070017280520918
Energy: 2.004462536305513
Energy: 2.0066045726140516
Energy: 2.071467852781592
Energy: 1.9966860455940418
Energy: 1.9762173484312127
Energy: 2.209245510838999
Energy: 1.9616663213510228
Energy: 1.8115285508373726
Energy: 2.2084220113308306
Energy: 1.537916157044276
Energy: 1.8238532528837046
Energy: 2.202274027492476
Energy: 1.9310803334203364
Energy: 1.9307519555028831
Energy: 2.0625424679730506
Energy: 1.882028795334765
Energy: 1.9102502640064782
Energy: 1.5753400665813388
Energy: 1.8775187285285262
Energy: 1.8762750688226169
Energy: 1.576923726297387
Energy: 1.8470830117411914
Energy: 1.924257980937913
Energy: 1.7540652881528556
Energy: 1.7747834331963976
Energy: 1.7674530197968277
Energy: 1.7235608448071489
Energy: 1.7743278730923537
Energy: 1.7772308923833973
Energy: 1.8616246599187705
Energy: 1.6782775136062413
Energy: 1.730491687222037
Energy: 1.8711187350752079
Energy: 1.672669582600317
Energy: 1.7391543251934867
Energy: 1.8571402946445221
Energy: 1.774418105064469
Energy: 1.83058869620033
Energy: 1.8803080240875418
Energy: 1.6694319128606605
Energy: 1.8449033830591297
Energy: 2.0492063875016457
Energy: 2.1183422166585806
Energy: 1.840731610005294
Energy: 1.8373124118022282
Energy: 2.243646813774548
Energy: 1.8770863084473095
Energy: 2.244838797186256
Energy: 1.6958587906845715
Energy: 1.8504146235043015
Energy: 2.151473961704085
Energy: 2.197749374386619
Energy: 1.8499608544332036
Energy: 1.7780640617071042
Energy: 1.5677373668014014
Energy: 1.6338516304496282
Energy: 1.7151164588445271
Energy: 1.5349756029452524
Energy: 1.6309216664835298
Energy: 1.6603825242839598
Energy: 1.5481004972542207
Energy: 1.62313539568433
Energy: 1.6649442489274782
Energy: 1.5465565682307445
Energy: 1.6204494884101983
Energy: 1.4447451703397782
Energy: 1.59677583573619
Energy: 1.5794909551187095
Energy: 1.445816622114686
Energy: 1.5709207226368571
Energy: 1.5654983394005637
Energy: 1.4451853543828754
Energy: 1.601518217607784
Energy: 1.5895483485972504
Energy: 1.4460203959445506
Energy: 1.6001082495899865
Energy: 1.5897080616973296
Energy: 2.0034742225089537
Energy: 1.6806572757389313
Energy: 1.6979337345671786
Energy: 2.004003792447718
Energy: 1.6936657173037468
Energy: 1.6892057599523542
Energy: 2.34205753624534
Energy: 1.9369382263577657
Energy: 1.9835133966273284
Energy: 2.301091775409328
Energy: 1.9769944241220139
Energy: 1.6859763717355403
Energy: 1.5758487409526416
Energy: 1.7698550599111609
Energy: 1.7685034891872138
Energy: 1.576237414424823
Energy: 1.9374055480286412
Energy: 1.76893964592345
Energy: 1.7846182889697437
Energy: 1.8530421351946564
Energy: 1.8190749683334424
Energy: 1.7442770962240044
Energy: 1.8134582392221037
Energy: 1.764887428489371
Energy: 1.833564540491582
Energy: 1.6705918849468782
Energy: 1.7299508371941428
Energy: 1.8331014130215466
Energy: 1.6708683087637723
Energy: 1.728993545262346
Energy: 1.8757215386954609
Energy: 1.6706930897502141
Energy: 1.7296749060178096
Energy: 1.8797333125464983
Energy: 1.6706411176382778
Energy: 1.728993294116581
Energy: 2.0647353792408043
Energy: 1.7994947593635706
Energy: 1.8511932578176644
Energy: 2.041163366416504
Energy: 1.803237246295212
Energy: 1.8494909401368504
Energy: 1.5354304102508816
Energy: 2.220727918388024
Energy: 1.8874844864793594
Energy: 1.5353591389409245
Energy: 2.2157816339202014
Energy: 1.8691104358385926
Energy: 2.1117971401055144
Energy: 1.7954371636510378
Energy: 1.7950244942998672
Energy: 1.8819236898225689
Energy: 1.7951689837700586
Energy: 1.8920513540957489
Energy: 2.010384842141976
Energy: 1.7929726318183825
Energy: 1.8457351492500236
Energy: 2.0098302681023
Energy: 1.7719039069275087
Energy: 1.841985713083816
Energy: 1.8954145736440686
Energy: 1.9724931590140324
Energy: 1.940767407896356
Energy: 1.8950702606009477
Energy: 1.9738477706044075
Energy: 1.8982314758199075

minimum gb energy = 1.4447451703397782 eV
minimum distance =  2.55142796787888 Angstroms
sigma value = 19


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

Energy: 2.289477354947959
Energy: 1.9511339953807936
Energy: 2.4071327831965443
Energy: 2.2926707740769343
Energy: 2.966222969074948
Energy: 2.452515056537919
Energy: 2.02697862207659
Energy: 1.8026504859210815
Energy: 1.8098348462853922
Energy: 2.0317802243101553
Energy: 1.8015119309002041
Energy: 1.7361165382818615
Energy: 1.7484634716315741
Energy: 1.7342968632705957
Energy: 1.7543171170511667
Energy: 1.772542590035639
Energy: 1.719961897751243
Energy: 1.7788871451394899
Energy: 1.845927735062806
Energy: 1.7255808652809745
Energy: 1.752564990733417
Energy: 1.792799866372749
Energy: 1.8046388930573185
Energy: 1.7566013301013526
Energy: 1.5095523010225587
Energy: 1.7798811306026345
Energy: 1.8061341517493033
Energy: 1.5126314271797623
Energy: 1.7719602364072142
Energy: 1.7654069374399037
Energy: 1.8254008849629482
Energy: 1.917934661759675
Energy: 1.721087348957267
Energy: 1.8261690288511672
Energy: 1.911324348867884
Energy: 1.7067112540529756
Energy: 2.0415630738680077
Energy: 2.312051759730038
Energy: 2.2950509793728027
Energy: 2.0403271982236633
Energy: 2.3469324171586856
Energy: 2.239683797782715
Energy: 1.798060499567402
Energy: 1.7336735458874755
Energy: 1.744742075343395
Energy: 1.7984825621362306
Energy: 1.963077044054835
Energy: 1.8152715513790636
Energy: 1.4915767477666189
Energy: 1.6923668832718455
Energy: 1.6851588867451868
Energy: 1.4914458758234042
Energy: 1.664852487821863
Energy: 1.672144164099315
Energy: 1.5556997715111258
Energy: 1.7140690518218409
Energy: 1.7248671246034801
Energy: 1.6537269042952911
Energy: 1.7286437059463189
Energy: 1.7026054470094985
Energy: 1.947611788105477
Energy: 1.8549514780008736
Energy: 1.8734040323299883
Energy: 1.9498764792950196
Energy: 1.8692150285514395
Energy: 1.8825851072667636
Energy: 1.8341658197030504
Energy: 1.7693738830686774
Energy: 1.7506081144223535
Energy: 1.760436081286575
Energy: 1.8169465056125236
Energy: 1.7223802215185622
Energy: 2.0864583414552627
Energy: 1.7162288618373074
Energy: 1.8119761614698997
Energy: 2.0869270535810767
Energy: 1.9121845463009939
Energy: 1.8728807514091832
Energy: 2.0999358318904644
Energy: 1.7826134899381771
Energy: 1.7409105113699217
Energy: 1.9784117452566303
Energy: 1.7968605083778881
Energy: 1.742077542895218
Energy: 1.6066939703845458
Energy: 1.570265616992973
Energy: 1.6425038107130059
Energy: 1.6071886788608756
Energy: 1.4664297055115634
Energy: 1.6442783269040158
Energy: 1.7636848999877905
Energy: 1.6054459656304991
Energy: 1.6361793266687008
Energy: 1.7876924928247697
Energy: 1.5243725011268743
Energy: 1.6786627659763087
Energy: 1.8858688569041104
Energy: 2.029570163236992
Energy: 2.1523242166971768
Energy: 1.8877342004281705
Energy: 1.9938299423826071
Energy: 2.146259168075159
Energy: 2.0354742899135165
Energy: 1.8179451526332977
Energy: 1.7412139034733587
Energy: 1.8177395762283344
Energy: 1.7454356401479756
Energy: 1.7509563327225004
Energy: 1.8339474421524606
Energy: 1.8315992458062202
Energy: 1.823150632008402
Energy: 1.851522104105874
Energy: 1.8318875507624774
Energy: 1.7889879731819935
Energy: 1.882348855180754
Energy: 1.831730671920745
Energy: 1.8590807681196169
Energy: 1.8828933798326821
Energy: 1.858661713110758
Energy: 1.7835955462413577
Energy: 1.4656098801212063
Energy: 1.636040370443313
Energy: 1.6631680205133033
Energy: 1.465912718817907
Energy: 1.6347833570286854
Energy: 1.6519186621097675
Energy: 1.5840710516441487
Energy: 1.7505325529366826
Energy: 1.674918856854775
Energy: 1.584440640525041
Energy: 1.7326509134769088
Energy: 1.657674430046354
Energy: 1.9239051251755432
Energy: 1.7864601425980842
Energy: 1.766567803920929
Energy: 1.9242573190234327
Energy: 2.229660373334003
Energy: 1.866877578294418
Energy: 1.9035127866665822
Energy: 1.771790150077398
Energy: 1.8071487358583918
Energy: 1.9041146686508112
Energy: 1.8755423991199809
Energy: 1.8056570927371696
Energy: 1.9087037923832078
Energy: 1.7730345524081113
Energy: 1.7163970877990762
Energy: 1.760282902074545
Energy: 1.7731272096204316
Energy: 1.7511892456964513
Energy: 1.6953118205184816
Energy: 1.792504227248972
Energy: 1.8004420028261294
Energy: 1.6962076651217668
Energy: 1.962277497519478
Energy: 1.7153619359396006
Energy: 1.6793417980267193
Energy: 1.5994976843787008
Energy: 1.6556360219531767
Energy: 1.671958273668267
Energy: 1.5494333944573533
Energy: 1.674856828887415
Energy: 1.8614291429401726
Energy: 1.5509130789531982
Energy: 1.6836141568485126
Energy: 1.8620565372884825
Energy: 1.5497852848689513
Energy: 1.6837649394678362
Energy: 1.9615911535430022
Energy: 1.90538024000248
Energy: 1.8620163700050796
Energy: 2.00744238117013
Energy: 1.9363556599187854
Energy: 1.751531602122401

minimum gb energy = 1.4656098801212063 eV
minimum distance =  2.53020442659637 Angstroms
sigma value = 101


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

Energy: 2.100119611313432
Energy: 2.7477500763606035
Energy: 2.452939155621524
Energy: 2.1033180555102575
Energy: 2.9179087950038016
Energy: 1.9984258897831142
Energy: 2.0302195935328187
Energy: 1.7826609691644262
Energy: 1.6653350692924058
Energy: 2.0273859698841097
Energy: 1.7351098877523436
Energy: 1.667459325899182
Energy: 1.7911964103400038
Energy: 1.8028272088241937
Energy: 1.8208199478729905
Energy: 1.7932159930950347
Energy: 1.7913290457314184
Energy: 1.8120629580785184
Energy: 1.8664912741481252
Energy: 1.6692947432449206
Energy: 1.6921794198633189
Energy: 1.8684538484159756
Energy: 1.703348548911112
Energy: 1.691491919670193
Energy: 1.4448812773867556
Energy: 1.8661596452372604
Energy: 1.861310748997502
Energy: 1.448012435895348
Energy: 1.8631495964395808
Energy: 1.6430178072374688
Energy: 1.6315479408389097
Energy: 1.7788211038461175
Energy: 1.6681397718226405
Energy: 1.63208107825872
Energy: 1.8992987042601155
Energy: 1.6673313359008037
Energy: 1.7227235871313749
Energy: 2.2827600341301815
Energy: 2.295206996747701
Energy: 1.7226617145626053
Energy: 2.3505228592507805
Energy: 2.2431405782871288
Energy: 1.8583737197631682
Energy: 1.7149518438687048
Energy: 1.665144661317843
Energy: 1.8591405968366084
Energy: 1.8015095580209404
Energy: 1.693006539807597
Energy: 1.425271071443842
Energy: 1.654375228808472
Energy: 1.6604391509683898
Energy: 1.4271554912034463
Energy: 1.7201045686956415
Energy: 1.5978171603632159
Energy: 1.4222952506212287
Energy: 1.7120528433530207
Energy: 1.6877678493325723
Energy: 1.5236143077770643
Energy: 1.7640959045314786
Energy: 1.6798784821035568
Energy: 2.1717096048581994
Energy: 2.071643310105455
Energy: 2.0323303066058256
Energy: 2.172966666113833
Energy: 2.00905561876563
Energy: 2.032719474343638
Energy: 1.7859028882134322
Energy: 1.7246823683620773
Energy: 1.6984459718680287
Energy: 1.7471529072949448
Energy: 1.7339076897456864
Energy: 1.683804505824274
Energy: 1.7729356228123996
Energy: 1.8163408397745644
Energy: 1.8494228748041406
Energy: 1.7740591712084384
Energy: 2.1900311072567744
Energy: 2.270658938942133
Energy: 1.7733148688738753
Energy: 1.6867768813493387
Energy: 1.6975917364525261
Energy: 1.9069774796834629
Energy: 1.9152159621838405
Energy: 1.6714838595559682
Energy: 1.6343692199533773
Energy: 1.4885261124057163
Energy: 1.6214233858405778
Energy: 1.6364620713904927
Energy: 1.4858392523658266
Energy: 1.6235336980746378
Energy: 1.811418732396699
Energy: 1.5277759497818333
Energy: 1.5790288687722376
Energy: 1.8115612395588467
Energy: 1.6296858228984528
Energy: 1.6343934477878113
Energy: 2.108270247388382
Energy: 1.6833684317389497
Energy: 1.850881441368157
Energy: 2.1021754911437025
Energy: 1.8380393293670532
Energy: 2.0165549145975903
Energy: 1.8270763274650295
Energy: 1.8966434196027377
Energy: 1.8228398416466853
Energy: 1.7884942968897803
Energy: 1.735120385383931
Energy: 1.6651642608732657
Energy: 1.7910888652103336
Energy: 1.8289820424487238
Energy: 1.8709526125509182
Energy: 1.8025386717454142
Energy: 1.7313479277976318
Energy: 1.8334240646539166
Energy: 1.8156852238280514
Energy: 1.8243080368966569
Energy: 1.8353270280702951
Energy: 1.8162347612876653
Energy: 1.828500485486221
Energy: 1.6792936610923919
Energy: 1.44963831724241
Energy: 1.8669637254832308
Energy: 1.8313924043640553
Energy: 1.447238735955315
Energy: 1.8636229195519807
Energy: 1.6410318040855538
Energy: 1.631567778609296
Energy: 1.9003481329876257
Energy: 1.710451115578979
Energy: 1.631965973617445
Energy: 1.9205724966836204
Energy: 1.652510884333936
Energy: 1.7493957444892945
Energy: 2.3592730010750453
Energy: 2.2728305167206933
Energy: 1.7828670532141264
Energy: 1.9886702202938618
Energy: 2.245975911146751
Energy: 1.8570338902055006
Energy: 1.8084237060170831
Energy: 1.7878321112592812
Energy: 1.856558671457626
Energy: 1.8433478546020228
Energy: 1.8171939880215235
Energy: 1.4213374941977506
Energy: 1.7074639903879694
Energy: 1.62248489888522
Energy: 1.4220352122945632
Energy: 1.7160270477553818
Energy: 1.5951442505150752
Energy: 1.4220583130912712
Energy: 1.7735296280365858
Energy: 1.669052541829021
Energy: 1.4223886863214816
Energy: 1.7712228372542644
Energy: 1.668322464475653
Energy: 1.7901130422459912
Energy: 1.9933247369932965
Energy: 2.0108754292510027
Energy: 1.7907645298326607
Energy: 2.039589232883216
Energy: 1.9976708823239766
Energy: 1.8420900364016655
Energy: 1.7077241263558214
Energy: 1.8473152561312902
Energy: 1.8437944922405365
Energy: 1.8441652495513707
Energy: 1.8468580551963767
Energy: 1.7175276518458433
Energy: 1.8276190858043149
Energy: 1.6876127812408366
Energy: 1.774000327499482
Energy: 1.7383919047851388
Energy: 1.8372739746878388
Energy: 1.7731540272954602
Energy: 1.707666355343904
Energy: 1.6736791250498941
Energy: 1.7740948171937487
Energy: 1.745478605871757
Energy: 1.6745823180757173
Energy: 1.6552313384484465
Energy: 1.5380725969138354
Energy: 1.647001549600501
Energy: 1.6630073618738164
Energy: 1.4850375378499197
Energy: 1.6449398943161448
Energy: 1.7900334130631932
Energy: 1.5278359656778215
Energy: 1.6383684037034432
Energy: 1.7911605063871925
Energy: 1.5305019810805196
Energy: 1.6378565528720288
Energy: 2.1003894021523095
Energy: 1.802973324987511
Energy: 1.657100602417085
Energy: 2.101438796601602
Energy: 1.7266272085628651
Energy: 1.782746880423643

minimum gb energy = 1.4213374941977506 eV
minimum distance =  2.55234981429462 Angstroms
sigma value = 33


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

Energy: 0.021443149849815844
Energy: 1.1662041980359625
Energy: 0.02222761235677982
Energy: 0.02417561088790798
Energy: 1.169123147852847
Energy: 0.0221814014668093
Energy: 0.9813687612204711
Energy: 0.18545917976088017
Energy: 0.18246895543043584
Energy: 0.18299770244100916
Energy: 0.18498209033941818
Energy: 0.18224489785266673
Energy: 1.9693709919165576
Energy: 1.1696657387860394
Energy: 1.1666280039012549
Energy: 1.1638521396956312
Energy: 1.5093793101068802
Energy: 1.1670297796372118
Energy: 0.022367220011409828
Energy: 0.18545917976088017
Energy: 0.18246895543114924
Energy: 0.18299770244100916
Energy: 0.1849820903401316
Energy: 0.18224489785266673

minimum gb energy = 0.021443149849815844 eV
minimum distance =  2.73530736351125 Angstroms
sigma value = 1