Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
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=[1.96982810620398e-19, 2.73103824678372e-19, 3.31278858258912e-19, 3.7876256716077e-19, 4.1875610029867796e-19, 4.531275956278799e-19, 4.8332862517878e-19, 5.09801389702362e-19, 5.331066510205259e-19, 5.536802011777199e-19, 5.71855292913816e-19, 5.87872252723914e-19, 6.01944170100336e-19, 6.14245682296188e-19, 6.250363419261779e-19, 6.343738273491299e-19, 6.423270321603059e-19, 6.4899208695774605e-19, 6.544491005731499e-19, 6.587717731316819e-19, 6.620978918238659e-19, 6.64413037059996e-19, 6.657684784923599e-19, 6.662106792433439e-19, 6.65734832783046e-19, 6.6419033450787e-19, 6.614249776375859e-19, 6.5720324220699595e-19, 6.512159081257379e-19, 6.4312972265394e-19, 6.325393351031999e-19, 6.1899453383936395e-19, 6.0190571786112e-19, 5.80486218441174e-19, 5.538179883682439e-19, 5.209749695478779e-19, 4.80446309414214e-19, 4.3029337424011196e-19, 3.6815615784368996e-19, 2.9096328761756996e-19, 1.9480064604489e-19, 7.435653693094979e-20, -7.779961451741579e-20, -2.71786835485224e-19, -5.21526118309974e-19, -8.47769335408224e-19, -1.28073994680375e-18, -1.86748106282406e-18, -2.6827806865676394e-18, -3.85257791235006e-18, -5.6004564894460195e-18, -8.35557545103876e-18, -1.30373919238482e-17, -2.19099256876134e-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: 0.016072595156603958
Energy: 0.016424960166858585
Energy: 0.016542179907824868
Energy: 0.016501732180372795
Energy: 0.9436304173298686
Energy: 0.01642708818207786
Energy: 0.016424960166229994
Energy: 0.18334148116514382
Energy: 0.18312576579335751
Energy: 0.18331095112417428
Energy: 0.18317442519687765
Energy: 0.1836127302987379
Energy: 0.016542179909082043
Energy: 0.18312576579335751
Energy: 0.1834835415935529
Energy: 0.016270640600745442
Energy: 0.18203566795550394
Energy: 0.18296445419775714
Energy: 0.016501732181909343
Energy: 0.18331095112571083
Energy: 0.016270640600116855
Energy: 0.01650231656337377
Energy: 0.18333082075866286
Energy: 0.01647253799438716
Energy: 0.943630417339996
Energy: 0.18317442519624905
Energy: 0.18203566795148796
Energy: 0.1833308207564977
Energy: 0.18322705419654767
Energy: 0.1830141597087846
Energy: 0.01642708817994764
Energy: 0.1836127302996459
Energy: 0.1829644541974428
Energy: 0.016472537993164903
Energy: 0.18301415970819093
Energy: 0.01628231620970097

minimum gb energy = 0.016072595156603958 eV
minimum distance =  2.55162495292977 Angstroms
sigma value = 1


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

Energy: 2.620131550120976
Energy: 1.4564259600766682
Energy: 1.347210488228671
Energy: 1.470064186209824
Energy: 1.3931648188856842
Energy: 1.3554747424563647
Energy: 2.335245654180791
Energy: 1.361988142470675
Energy: 1.361525262994906
Energy: 1.351636822683441
Energy: 1.362603728515054
Energy: 1.3600060658269215
Energy: 2.118790579891434
Energy: 1.3679427955380998
Energy: 1.3619452096502827
Energy: 1.4139617693147468
Energy: 1.369059090818947
Energy: 1.3618411093176703
Energy: 2.4850117787326145
Energy: 1.3715320018404653
Energy: 1.4147609236459755
Energy: 1.378139363080866
Energy: 1.3430768291140867
Energy: 1.4164213004692132
Energy: 2.266306113509857
Energy: 1.3661361972476282
Energy: 1.363048051778353
Energy: 1.35532240439124
Energy: 1.3623816683205612
Energy: 1.3614683134445398
Energy: 2.235741103909562
Energy: 1.363386115952482
Energy: 1.408288670544857
Energy: 1.4075390804119319
Energy: 1.3637782078620848
Energy: 1.4134730409388048
Energy: 2.227330290591336
Energy: 1.4082850741274635
Energy: 1.4075074164029768
Energy: 1.4115748937718469
Energy: 1.4183549725217586
Energy: 1.4088164500687084
Energy: 2.0773834212040714
Energy: 1.4107532193394725
Energy: 1.4111339552488786
Energy: 1.362335274435208
Energy: 1.4105556938876667
Energy: 1.4071038858169362
Energy: 1.8155489644706775
Energy: 1.4131212750328908
Energy: 1.4155504885837031
Energy: 1.3642936199843698
Energy: 1.407444273104423
Energy: 1.4158207735994361
Energy: 1.8128154401047438
Energy: 1.359974273903682
Energy: 1.3628892697781683
Energy: 1.361610619082092
Energy: 1.3595042093314162
Energy: 1.3635046324109843
Energy: 1.6800795805915425
Energy: 1.4128152771451756
Energy: 1.4126318139048577
Energy: 1.342646473120164
Energy: 1.4130661402639664
Energy: 1.3968180524936422
Energy: 1.5231720955738528
Energy: 1.360204143704927
Energy: 1.3606450687457754
Energy: 1.3694419771409028
Energy: 1.4107375255946937
Energy: 1.3613957749818923
Energy: 1.5228549476867819
Energy: 1.3521598100102368
Energy: 1.3593725619523445
Energy: 1.362705412657013
Energy: 1.3583772891538133
Energy: 1.360169577174155
Energy: 1.6364330302364398
Energy: 1.3730781018439369
Energy: 1.3744505834153984
Energy: 1.3697692736874632
Energy: 1.3719967234124035
Energy: 1.370885401625288
Energy: 1.6083898841702553
Energy: 1.3621065723325865
Energy: 1.3616753801811943
Energy: 1.3662689077036954
Energy: 1.3517780046004897
Energy: 1.3621293128532956
Energy: 1.6089995099672991
Energy: 1.4154442683456145
Energy: 1.415959669406037
Energy: 1.366132845888968
Energy: 1.4153847293607245
Energy: 1.4173668431804987
Energy: 2.0807150147059157
Energy: 1.40463994405177
Energy: 1.4046833468503226
Energy: 1.3704659271311175
Energy: 1.4046313184223844
Energy: 1.4113594929282556
Energy: 2.035539763083767
Energy: 1.4168275386603075
Energy: 1.4173445833518694
Energy: 1.415364354844062
Energy: 1.4107585902594886
Energy: 1.4175537681738901
Energy: 2.0342209107381213
Energy: 1.4163612952282287
Energy: 1.4171578211227502
Energy: 1.4109695487663059
Energy: 1.4155557488419703
Energy: 1.4165133444216331
Energy: 2.1185981083569536
Energy: 1.4165905061887711
Energy: 1.4174093901033955
Energy: 1.410730111660484
Energy: 1.410412886496361
Energy: 1.416551239103692
Energy: 2.3239040879008517
Energy: 1.416868236198065
Energy: 1.4129967672866157
Energy: 1.3933598144428812
Energy: 1.3893199161288734
Energy: 1.412555117527088
Energy: 1.2443966368158843
Energy: 1.4116494076669022
Energy: 1.4111240000833654
Energy: 1.411397393716392
Energy: 1.3666709724979291
Energy: 1.4165495565625297
Energy: 2.3352341834198143
Energy: 1.3617853851571204
Energy: 1.3607509551083548
Energy: 1.305663258551925
Energy: 1.3634669719753871
Energy: 1.35977468728417

minimum gb energy = 1.2443966368158843 eV
minimum distance =  2.37410112756683 Angstroms
sigma value = 33


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

Energy: 3.239791469732244
Energy: 1.6480583484483369
Energy: 1.4995642786907055
Energy: 1.4693309858793575
Energy: 1.480486037009829
Energy: 1.636976238407748
Energy: 2.155281694428147
Energy: 1.4795223612943957
Energy: 1.4452933233480318
Energy: 1.4491317596423385
Energy: 1.5198514125228075
Energy: 1.4455124768155734
Energy: 2.25617822828624
Energy: 1.5190294816971293
Energy: 1.4913184510482567
Energy: 1.574424461696997
Energy: 1.4852417513752307
Energy: 1.5235014905211113
Energy: 2.4659701232458566
Energy: 1.5049178534731071
Energy: 1.4849422713367433
Energy: 1.5872056133742716
Energy: 1.5046558952929685
Energy: 1.5882904249884797
Energy: 1.3944659503001053
Energy: 1.4458690712077087
Energy: 1.4472307847624792
Energy: 1.474894446137626
Energy: 1.4391728321004635
Energy: 1.4491216228402555
Energy: 2.4463279984122352
Energy: 1.4289958779725378
Energy: 1.4374614348888417
Energy: 1.435665353590877
Energy: 1.4749437763879416
Energy: 1.4512926834618014
Energy: 2.445868116362459
Energy: 1.449793253040308
Energy: 1.4370551267151426
Energy: 1.4359233632121875
Energy: 1.4656566985613213
Energy: 1.4506518152724512
Energy: 1.6270825077416697
Energy: 1.5827671450932395
Energy: 1.5830210660548842
Energy: 1.4769337141941916
Energy: 1.58218371332715
Energy: 1.5803631627388586
Energy: 1.9795381796220939
Energy: 1.576191839092597
Energy: 1.6387871163914887
Energy: 1.6653748530826578
Energy: 1.5715245533409503
Energy: 1.4379635129998034
Energy: 1.9686231779009624
Energy: 1.6392390956244067
Energy: 1.6416091579107543
Energy: 1.637735776903914
Energy: 1.641588604032659
Energy: 1.642241345714909
Energy: 1.888436562902688
Energy: 1.5575007524007018
Energy: 1.5597596665239528
Energy: 1.509450864303239
Energy: 1.5587909131323343
Energy: 1.5613123213273228
Energy: 1.776787151166922
Energy: 1.5620443789177907
Energy: 1.6430805620405586
Energy: 1.6722386535361686
Energy: 1.5683931989730482
Energy: 1.6430573197456302
Energy: 1.7781463732034817
Energy: 1.6510587390412115
Energy: 1.6526654873951667
Energy: 1.6482924615987025
Energy: 1.6515862640072179
Energy: 1.667520171703946
Energy: 1.8967542748964465
Energy: 1.5810075125899485
Energy: 1.585736041125075
Energy: 1.657924203742755
Energy: 1.582481116442169
Energy: 1.542462085711697
Energy: 1.9048183023817966
Energy: 1.650038984078657
Energy: 1.6502764005570587
Energy: 1.6133298679422092
Energy: 1.6231345912610244
Energy: 1.6559580810634114
Energy: 1.904281430938421
Energy: 1.6436719690357775
Energy: 1.6393620903862043
Energy: 1.6608640387177755
Energy: 1.643364835110454
Energy: 1.6791093528352918
Energy: 2.265792441990084
Energy: 1.6427751499447047
Energy: 1.6408166982924035
Energy: 1.6562363951751686
Energy: 1.6415439637911202
Energy: 1.6397549001624157
Energy: 2.1894231753235327
Energy: 1.6278937013710348
Energy: 1.6456463716288825
Energy: 1.583628417446517
Energy: 1.6151631895079304
Energy: 1.5844038500618782
Energy: 2.1897573582911343
Energy: 1.6448667823495515
Energy: 1.648524143670129
Energy: 1.5710800702544183
Energy: 1.646154308450754
Energy: 1.6385590061561308
Energy: 2.2066824190311936
Energy: 1.6305806005060615
Energy: 1.6294908958525862
Energy: 1.6084489690204367
Energy: 1.6273479437931306
Energy: 1.6270374035613773
Energy: 2.579429243108955
Energy: 1.6531655175178295
Energy: 1.4748089947434262
Energy: 1.488588284255723
Energy: 1.651843819002963
Energy: 1.4736104527210887
Energy: 2.024706766897589
Energy: 1.6347901497542703
Energy: 1.631460260657188
Energy: 1.4878899795058789
Energy: 1.662959535687108
Energy: 1.6302169567277889
Energy: 2.208188318880507
Energy: 1.6449912892630514
Energy: 1.644324758158731
Energy: 1.6379440300043238
Energy: 1.6485231896898214
Energy: 1.6447545617747545
Energy: 2.464455225163882
Energy: 1.7045675576060173
Energy: 1.6647585223255625
Energy: 1.5563507127024194
Energy: 1.657247210106747
Energy: 1.586543719091526
Energy: 2.2133517373387384
Energy: 1.6423225754966964
Energy: 1.6417941993315324
Energy: 1.6380200843114547
Energy: 1.6501597367739311
Energy: 1.6397053929409868
Energy: 2.231088989030216
Energy: 1.6007999054686264
Energy: 1.6444044730707559
Energy: 1.6836460347736542
Energy: 1.683487443754598
Energy: 1.6863996889206414
Energy: 2.425708560044684
Energy: 1.5739462024045032
Energy: 1.6574583550776818
Energy: 1.6434573283809586
Energy: 1.6133096405881289
Energy: 1.6605548129159393
Energy: 2.2303969703289828
Energy: 1.583471080367836
Energy: 1.5840414704012913
Energy: 1.689588990914244
Energy: 1.575640046658533
Energy: 1.6563350171706581
Energy: 2.013052194813161
Energy: 1.5830483630503582
Energy: 1.5838862599475678
Energy: 1.6318766797580828
Energy: 1.5824125653173964
Energy: 1.6420384275634448
Energy: 2.0211819076464455
Energy: 1.6386012788797046
Energy: 1.4520943993435245
Energy: 1.658699750600027
Energy: 1.4517048072216232
Energy: 1.6437031117263472
Energy: 2.1243207520701755
Energy: 1.5560445111947174
Energy: 1.5568892162017587
Energy: 1.6666025827031754
Energy: 1.5659903020657875
Energy: 1.5518764731309036
Energy: 1.7281740783585706
Energy: 1.5548286953788426
Energy: 1.5622734114582812
Energy: 1.6849022781178362
Energy: 1.5680886483009195
Energy: 1.6405219572823981
Energy: 1.7287493304744792
Energy: 1.451475649874858
Energy: 1.635158098410453
Energy: 1.649655654682474
Energy: 1.6359300770657892
Energy: 1.451822359042772
Energy: 1.7283936128419428
Energy: 1.5825314349364619
Energy: 1.577622011146824
Energy: 1.6952176002808754
Energy: 1.5820480783855868
Energy: 1.5766494700625953
Energy: 1.935911959834665
Energy: 1.6366477819648648
Energy: 1.4493726218898528
Energy: 1.4572413538031666
Energy: 1.4524285924083975
Energy: 1.6362358389857825
Energy: 1.9244258025893854
Energy: 1.4712518881987655
Energy: 1.4777434356988033
Energy: 1.497909575204546
Energy: 1.4990012175671903
Energy: 1.47059362357654
Energy: 1.9236988088742997
Energy: 1.4898224681576457
Energy: 1.4702251414129284
Energy: 1.3979221063953995
Energy: 1.4692742953703442
Energy: 1.4348988213146445
Energy: 2.1905602421441497
Energy: 1.5011721216500535
Energy: 1.5210906387698955
Energy: 1.570663580268225
Energy: 1.501816275084285
Energy: 1.499236627614697
Energy: 2.1900314955624145
Energy: 1.5059323592605511
Energy: 1.52219521684735
Energy: 1.5830036709029551
Energy: 1.5115304458500944
Energy: 1.5830615067421523
Energy: 2.202189780917982
Energy: 1.4892788089779156
Energy: 1.4909562960953515
Energy: 1.4498281752480664
Energy: 1.49219421906533
Energy: 1.4492694463565552
Energy: 2.538353885996469
Energy: 1.439895878387094
Energy: 1.46839235002071
Energy: 1.471111240710742
Energy: 1.4649332251636116
Energy: 1.5485515887714545

minimum gb energy = 1.3944659503001053 eV
minimum distance =  2.2254752860831 Angstroms
sigma value = 51


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

Energy: 2.691416541734332
Energy: 1.5462520958916928
Energy: 1.5450376691052636
Energy: 1.4045454768447603
Energy: 1.5781119273971362
Energy: 1.4045494630245032
Energy: 2.3199644778528166
Energy: 1.5131288224522856
Energy: 1.5084048922525706
Energy: 1.4351829740353852
Energy: 1.5057282749771432
Energy: 1.4332468451802658
Energy: 2.348010053632335
Energy: 1.5052033666483269
Energy: 1.5043567728807283
Energy: 1.4339968972892225
Energy: 1.5072693651955864
Energy: 1.5014685377531658
Energy: 2.347058647425832
Energy: 1.5082054434421117
Energy: 1.510454059254535
Energy: 1.4321236744387738
Energy: 1.5107447383556012
Energy: 1.4243696261506924
Energy: 1.4346304966634098
Energy: 1.4325512663964022
Energy: 1.4323952346884175
Energy: 1.436655121752712
Energy: 1.4337421342149343
Energy: 1.4332115449407252
Energy: 2.0141773666009026
Energy: 1.4325401640082016
Energy: 1.4329294021917964
Energy: 1.4337469334395134
Energy: 1.433135726352705
Energy: 1.4331470440560483
Energy: 2.0141478228561858
Energy: 1.4346462040601244
Energy: 1.4334459094354255
Energy: 1.4337777368538267
Energy: 1.436238306936807
Energy: 1.4327746184224377
Energy: 1.8944948641259225
Energy: 1.3843250755551268
Energy: 1.4799762669175225
Energy: 1.6151283004547603
Energy: 1.5637081464508011
Energy: 1.5635313307020677
Energy: 1.609010747342965
Energy: 1.5317663974719231
Energy: 1.5475676723270795
Energy: 1.5139065339305509
Energy: 1.4812822973230757
Energy: 1.5045861569185877
Energy: 1.6086834802783379
Energy: 1.4339378427784408
Energy: 1.4331645038938925
Energy: 1.504652536119308
Energy: 1.4362041176267855
Energy: 1.5093502982608538
Energy: 1.6086033898562009
Energy: 1.4754320208127651
Energy: 1.4758636738897375
Energy: 1.5365969050554882
Energy: 1.431505461858112
Energy: 1.474581097474841
Energy: 1.7262944479854125
Energy: 1.433334879434094
Energy: 1.4333093927674674
Energy: 1.436254216240391
Energy: 1.425610569605137
Energy: 1.4309200834083116
Energy: 1.7245900804455718
Energy: 1.5821731869905502
Energy: 1.5080018015969734
Energy: 1.5040962621045642
Energy: 1.5757335868833497
Energy: 1.5085388080810829
Energy: 1.724940638252311
Energy: 1.4300993609822388
Energy: 1.4294851266951853
Energy: 1.4803066067176616
Energy: 1.4345828546797494
Energy: 1.435570995260836
Energy: 2.1615776317348874
Energy: 1.5059270818156736
Energy: 1.5052179129524668
Energy: 1.421251456960416
Energy: 1.5070632081809923
Energy: 1.5050137785720499
Energy: 2.1616007180228594
Energy: 1.505404086733815
Energy: 1.5121465589271808
Energy: 1.395005174676796
Energy: 1.4267360367586408
Energy: 1.3973823223133175
Energy: 1.4356263182659028
Energy: 1.504798969081105
Energy: 1.5110822675593314
Energy: 1.4362625310535988
Energy: 1.5056973408872305
Energy: 1.507023157344115
Energy: 2.5335879815916753
Energy: 1.5168302906851234
Energy: 1.4155481125580942
Energy: 1.3847063625103548
Energy: 1.5143130132524203
Energy: 1.4140853460234737

minimum gb energy = 1.3843250755551268 eV
minimum distance =  2.3844176095084 Angstroms
sigma value = 19


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

Energy: 2.2954787668879137
Energy: 1.5783326182183544
Energy: 1.577760260968735
Energy: 1.6591434918992733
Energy: 1.5378592329432796
Energy: 1.5775457442145169
Energy: 2.0190198246578737
Energy: 1.5385312465753156
Energy: 1.5384125750304718
Energy: 1.5835851142644675
Energy: 1.5384793290798386
Energy: 1.5381161373296437
Energy: 2.3529611219568425
Energy: 1.5383556511594982
Energy: 1.539008554849659
Energy: 1.6053401545322787
Energy: 1.5386369860183815
Energy: 1.5402907005666944
Energy: 1.8858695038127011
Energy: 1.537989222179692
Energy: 1.5375717625568674
Energy: 1.5856762793350796
Energy: 1.540874743652732
Energy: 1.5379053698437823
Energy: 1.895349788491112
Energy: 1.5376172127201202
Energy: 1.5830936943243463
Energy: 1.5838210069608103
Energy: 1.5377156514344228
Energy: 1.5841812473036327
Energy: 1.8939196283785673
Energy: 1.4997618059403852
Energy: 1.5821582810693504
Energy: 1.5839565171576298
Energy: 1.4993257626004153
Energy: 1.5833478821773543
Energy: 1.8959479796888905
Energy: 1.5141587559506176
Energy: 1.5829907729935717
Energy: 1.5832952032757013
Energy: 1.5134025862028906
Energy: 1.5836294601604641
Energy: 1.7189243093770312
Energy: 1.5001230295739354
Energy: 1.4997897717678774
Energy: 1.5381693109580596
Energy: 1.5021383468831315
Energy: 1.500777658256568
Energy: 1.5383816807247765
Energy: 1.5019631860722782
Energy: 1.5005687328197561
Energy: 1.5381263555600402
Energy: 1.5000361386770662
Energy: 1.4997703419502495
Energy: 1.5376315846926658
Energy: 1.5841042307261768
Energy: 1.5378650128253255
Energy: 1.5380329689608057
Energy: 1.584227825550681
Energy: 1.5379871264324136
Energy: 1.5369212495328894
Energy: 1.5907225424130438
Energy: 1.5908274740246666
Energy: 1.5375746733931843
Energy: 1.590844019908325
Energy: 1.538382962374369
Energy: 1.7197700441075987
Energy: 1.5820025485036766
Energy: 1.5821882908925633
Energy: 1.538272842467791
Energy: 1.6042944466545106
Energy: 1.5381893399680193
Energy: 1.4997639426181137
Energy: 1.5827082471755287
Energy: 1.58301490631321
Energy: 1.5000261559951986
Energy: 1.5836753090934368
Energy: 1.5845611848381167
Energy: 1.7202847897487445
Energy: 1.5837961215953804
Energy: 1.583493315329739
Energy: 1.5133815912644557
Energy: 1.5842292317568742
Energy: 1.583691411867127
Energy: 2.26106107765245
Energy: 1.5385577587906403
Energy: 1.5389145528799408
Energy: 1.5003331472508932
Energy: 1.5381536967087093
Energy: 1.4998874130887931
Energy: 2.2610804862730123
Energy: 1.5129335328377367
Energy: 1.500917767726235
Energy: 1.5025969409302127
Energy: 1.5395044708805181
Energy: 1.4998588098808467
Energy: 1.8956988581593552
Energy: 1.5391389369755573
Energy: 1.5386755404374073
Energy: 1.5837223432601797
Energy: 1.5378175864837995
Energy: 1.537998691288728
Energy: 1.8861226764336652
Energy: 1.5389791398867974
Energy: 1.538487000838338
Energy: 1.5848664189254993
Energy: 1.538205523568729
Energy: 1.5141234602905387
Energy: 1.8873190855571813
Energy: 1.539254977830612
Energy: 1.538275769731166
Energy: 1.5846681714878124
Energy: 1.538570418253574
Energy: 1.5383359454421863
Energy: 1.8951729561011503
Energy: 1.499559850849977
Energy: 1.582681769230123
Energy: 1.583667824726713
Energy: 1.4993721748579218
Energy: 1.5818650879243066
Energy: 1.8937372106571904
Energy: 1.5384356498672926
Energy: 1.583444985912091
Energy: 1.5836513096552984
Energy: 1.5380341105412605
Energy: 1.5833294899262411
Energy: 1.8945671815753327
Energy: 1.58356343911162
Energy: 1.5824372487220997
Energy: 1.5375465584619081
Energy: 1.5136376687055295
Energy: 1.582425274584135
Energy: 1.719578608647365
Energy: 1.4998694055887065
Energy: 1.5374712988538053
Energy: 1.5381142828852103
Energy: 1.5027392682374625
Energy: 1.4994377254640858
Energy: 1.5380831162350639
Energy: 1.5391126031120383
Energy: 1.5381287312510705
Energy: 1.5383085798551277
Energy: 1.5614325881521376
Energy: 1.5382044654843399
Energy: 1.538343774193404
Energy: 1.5833571949019725
Energy: 1.5393825504011607
Energy: 1.5385246998396167
Energy: 1.6056228149879237
Energy: 1.5389421481725265
Energy: 1.5130495114966445
Energy: 1.585517245373954
Energy: 1.5853672156307514
Energy: 1.537740413620048
Energy: 1.5862702537823556
Energy: 1.5382455878170944
Energy: 1.8947017419485463
Energy: 1.5832224180550432
Energy: 1.582412512732372
Energy: 1.5380622096508225
Energy: 1.583192526892255
Energy: 1.5828596381627456
Energy: 1.4991744877558726
Energy: 1.5828823879334153
Energy: 1.585532350167715
Energy: 1.4993407732196427
Energy: 1.5834595506346116
Energy: 1.5812923770823408
Energy: 1.7199685387886363
Energy: 1.582866008579049
Energy: 1.5833368186876606
Energy: 1.5136583787274027
Energy: 1.5831999938192776
Energy: 1.5821021285359518
Energy: 2.2585965412831226
Energy: 1.5125780112717655
Energy: 1.5004550171834399
Energy: 1.5004474323603745
Energy: 1.5388641169447146
Energy: 1.5017819308843265

minimum gb energy = 1.4991744877558726 eV
minimum distance =  2.3746816641745 Angstroms
sigma value = 27


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

Energy: 1.8917595032859036
Energy: 1.239002251354804
Energy: 1.2374525292515604
Energy: 1.375695567633767
Energy: 1.298842368962037
Energy: 1.237495340126546
Energy: 1.567236246616964
Energy: 1.298150055277168
Energy: 1.2983302567510882
Energy: 1.2985539589564268
Energy: 1.2993604950944673
Energy: 1.2991167067554994
Energy: 1.6636718541820856
Energy: 1.3710526986489404
Energy: 1.3723163906114606
Energy: 1.2990306557541078
Energy: 1.2981960469200386
Energy: 1.29917439799157
Energy: 1.56625804614788
Energy: 1.3526017093044473
Energy: 1.298510514437613
Energy: 1.298866791370526
Energy: 1.2990390552182247
Energy: 1.3001748374498967
Energy: 1.7873792674663669
Energy: 1.2383065477223667
Energy: 1.29873957397364
Energy: 1.2984358764380264
Energy: 1.238578587319912
Energy: 1.3009077645866336
Energy: 1.5179819927145233
Energy: 1.3892167206617776
Energy: 1.3286489222112814
Energy: 1.5178583348020867
Energy: 1.3888940785173356
Energy: 1.237582967888796
Energy: 1.5185727507459252
Energy: 1.3371008682178078
Energy: 1.3003378683266535
Energy: 1.298690795676319
Energy: 1.3354419929874395
Energy: 1.2994323025816537
Energy: 1.5929001548504522
Energy: 1.3282746187190095
Energy: 1.329335216199266
Energy: 1.3745807154168663
Energy: 1.3275702670317908
Energy: 1.297160408414769
Energy: 1.6638641287065559
Energy: 1.2975047330542588
Energy: 1.342773930641726
Energy: 1.2991291455149034
Energy: 1.2967932299911702
Energy: 1.341164846473086
Energy: 1.6640334988165149
Energy: 1.344352419393919
Energy: 1.2993940957036132
Energy: 1.3720373186358559
Energy: 1.347832697568146
Energy: 1.3002914143694713
Energy: 1.6640253495055233
Energy: 1.413069420131113
Energy: 1.4129846938029147
Energy: 1.3042325681497002
Energy: 1.4178765448015733
Energy: 1.338644885729386
Energy: 1.6632584245618798
Energy: 1.2988339691663382
Energy: 1.298598534414942
Energy: 1.2990064250765163
Energy: 1.2995130158470896
Energy: 1.2991624858636563

minimum gb energy = 1.2374525292515604 eV
minimum distance =  2.4090382818407 Angstroms
sigma value = 9


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

Energy: 1.1647000868356612
Energy: 1.2391975947037517
Energy: 1.2094226652302988
Energy: 1.2296712713375024
Energy: 1.274681626208422
Energy: 1.2338237592791428
Energy: 1.250668644759341
Energy: 1.210577648831608
Energy: 1.197218981016668
Energy: 1.1966331957034484
Energy: 1.2024047540201503
Energy: 1.1964692718911163
Energy: 1.3868102883063205
Energy: 1.1998681517902445
Energy: 1.202788084521999
Energy: 1.2235572361664528
Energy: 1.2001182286802483
Energy: 1.2265169042262347
Energy: 1.3865411253576128
Energy: 1.2038208635395882
Energy: 1.2048554856364158
Energy: 1.214047756510526
Energy: 1.2022442720886388
Energy: 1.2029745705079984
Energy: 1.2197340976263886
Energy: 1.223746519834725
Energy: 1.1920076912824837
Energy: 1.212429330823092
Energy: 1.1985959490018776
Energy: 1.2216599286966408
Energy: 1.3079169711425074
Energy: 1.2040300832867452
Energy: 1.1919238043626876
Energy: 1.2535705316443366
Energy: 1.196707980254111
Energy: 1.1952638575818328
Energy: 1.3100930628117502
Energy: 1.206673239864699
Energy: 1.2031977091495056
Energy: 1.2557752009941008
Energy: 1.2038269143213185
Energy: 1.2026415823286671
Energy: 1.3359681083997201
Energy: 1.1969387429166016
Energy: 1.2029321905387507
Energy: 1.2094969330417837
Energy: 1.189764921664602
Energy: 1.2037814512702891
Energy: 1.2876957905668451
Energy: 1.2250649052336613
Energy: 1.203121706108743
Energy: 1.2009273266199443
Energy: 1.2016572284518285
Energy: 1.2032622007945637
Energy: 1.2505673525991858
Energy: 1.2031786634355746
Energy: 1.2031678836274353
Energy: 1.1918674703021805
Energy: 1.2047486735890849
Energy: 1.2038782798588055
Energy: 1.2506031290461528
Energy: 1.2052984479321913
Energy: 1.2059369296343927
Energy: 1.1915244462423173
Energy: 1.2018486426893429
Energy: 1.2263289406093305
Energy: 1.5396306599375154
Energy: 1.2290915649704899
Energy: 1.219652198979663
Energy: 1.202941782134149
Energy: 1.2533668041569896
Energy: 1.2264266874994445
Energy: 1.160162809253088
Energy: 1.228371860804753
Energy: 1.2085255471723353
Energy: 1.223229834050418
Energy: 1.232543469883927
Energy: 1.2015233604302704
Energy: 1.539455101896366
Energy: 1.2194310737780578
Energy: 1.2208605414224236
Energy: 1.2030045483647547
Energy: 1.225033885781201
Energy: 1.2261976936676091
Energy: 1.2918926717178516
Energy: 1.170168771748377
Energy: 1.1685603496268693
Energy: 1.2012226147251015
Energy: 1.1716170123743208
Energy: 1.2115121068139556
Energy: 1.2918859842864687
Energy: 1.190079794902709
Energy: 1.2126913227964253
Energy: 1.2009934752835847
Energy: 1.1958486687179095
Energy: 1.2225978905752537
Energy: 1.2902582732247272
Energy: 1.200281730247232
Energy: 1.2083319231370553
Energy: 1.2022925009907162
Energy: 1.1963825384075621
Energy: 1.2096341574707596
Energy: 1.4030656790704885
Energy: 1.2240968907506384
Energy: 1.208363096611836
Energy: 1.2060057197747218
Energy: 1.2097942641735258
Energy: 1.2086644214705293
Energy: 1.3876589243995427
Energy: 1.1902895529528117
Energy: 1.1925572669448847
Energy: 1.2240490637434236
Energy: 1.1920977785592821
Energy: 1.1943038892857312
Energy: 1.3851697351600853
Energy: 1.1865110453309948
Energy: 1.1852792579819886
Energy: 1.1904219450528208
Energy: 1.1892090173436949
Energy: 1.1721251071668524
Energy: 1.387867277426906
Energy: 1.2149333482100217
Energy: 1.210936842708882
Energy: 1.2192602098452325
Energy: 1.2223121927249194
Energy: 1.190445923314265
Energy: 1.4485212510714762
Energy: 1.2196264136258845
Energy: 1.1968777252907206
Energy: 1.19845489351359
Energy: 1.227482951229387
Energy: 1.188095684839891
Energy: 1.7626389371126647
Energy: 1.1991576999519031
Energy: 1.2059905763852503
Energy: 1.1985299256467954
Energy: 1.202973620616441
Energy: 1.1943218896384842
Energy: 1.3856049755862796
Energy: 1.2029985133684573
Energy: 1.2204159684312532
Energy: 1.2267601238067214
Energy: 1.2010584995198232
Energy: 1.2114558320559565
Energy: 1.6610518489385175
Energy: 1.1986916058375916
Energy: 1.2103285554594423
Energy: 1.1945263805156838
Energy: 1.2014365554589903
Energy: 1.2062405083832994
Energy: 1.219586359058851
Energy: 1.2028847366310431
Energy: 1.2288215860861376
Energy: 1.2116879670950635
Energy: 1.2041357887343855
Energy: 1.222156659850149
Energy: 1.5147413334271778
Energy: 1.1923386308923503
Energy: 1.231634827015329
Energy: 1.526053722562326
Energy: 1.1900310601379198
Energy: 1.262298852280219
Energy: 1.3087118383832883
Energy: 1.2025631340055218
Energy: 1.203779166517982
Energy: 1.2555815625693583
Energy: 1.200238631464997
Energy: 1.2238431431103
Energy: 1.3085055589031325
Energy: 1.2265761346223352
Energy: 1.2222149746787547
Energy: 1.2576038431735168
Energy: 1.2027608714389237
Energy: 1.204891614740819
Energy: 1.2996630641823759
Energy: 1.1938180668293017
Energy: 1.2035704530332898
Energy: 1.2031318221312006
Energy: 1.1900149385051013
Energy: 1.203506728959852
Energy: 1.2504768849385257
Energy: 1.2056661677469662
Energy: 1.2070918720182673
Energy: 1.191674417806107
Energy: 1.2013816019892125
Energy: 1.2029640323170492
Energy: 2.1921935386879645
Energy: 1.2088794725967065
Energy: 1.2042029750980396
Energy: 1.1926965603361808
Energy: 1.205811600715452
Energy: 1.2031750226165763
Energy: 1.5394352452524116
Energy: 1.2223206943251772
Energy: 1.2010034438671873
Energy: 1.2005888005514003
Energy: 1.2544491437016057
Energy: 1.2035405074654952
Energy: 1.3553302236162066
Energy: 1.2189170240644367
Energy: 1.2200805724793369
Energy: 1.2019306640370033
Energy: 1.211458028375257
Energy: 1.198756308123071
Energy: 1.543231671050325
Energy: 1.2213364855087347
Energy: 1.2204113425120955
Energy: 1.200812336160079
Energy: 1.2324636188319105
Energy: 1.2225847320371441
Energy: 1.3317507030966762
Energy: 1.1706772527921372
Energy: 1.1983056536149996
Energy: 1.2042299307773445
Energy: 1.1721087054172303
Energy: 1.1978937789588155
Energy: 1.2914720212184114
Energy: 1.2159604419356957
Energy: 1.2141809511120079
Energy: 1.2011744965528455
Energy: 1.197003539920968
Energy: 1.2037586850917295
Energy: 1.2902104102539205
Energy: 1.1963271519450769
Energy: 1.20453009309216
Energy: 1.200911663672712
Energy: 1.1969755854868631
Energy: 1.1965746812628615
Energy: 1.290451323490801
Energy: 1.230257023138006
Energy: 1.2165968593481635
Energy: 1.2006629530690096
Energy: 1.231349148798124
Energy: 1.209889577080159
Energy: 1.3883239784608585
Energy: 1.1973170677232556
Energy: 1.1954284016366832
Energy: 1.2019037417947787
Energy: 1.1974774504924584
Energy: 1.1981871472986718
Energy: 1.3816192462921764
Energy: 1.1747800346849167
Energy: 1.173417146450174
Energy: 1.194010596478528
Energy: 1.1899654549623147
Energy: 1.190211975826888
Energy: 1.3879784147011218
Energy: 1.1867530732855431
Energy: 1.1864721400005906
Energy: 1.2267575690440262
Energy: 1.1886457754665065
Energy: 1.1901034832337825
Energy: 1.761951678409709
Energy: 1.204799924192596
Energy: 1.205665427605185
Energy: 1.2032746638721086
Energy: 1.2097000078288016
Energy: 1.1945196314037039

minimum gb energy = 1.160162809253088 eV
minimum distance =  2.36424905361841 Angstroms
sigma value = 57


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

Energy: 0.7004786918926185
Energy: 0.6641384445282853
Energy: 0.6585210049808631
Energy: 0.6617478935806583
Energy: 0.6868421663978835
Energy: 0.6559613471644828
Energy: 0.7028754496586592
Energy: 0.6812286803672325
Energy: 0.6776435849371195
Energy: 0.6876830898245014
Energy: 0.6894727022934282
Energy: 0.6768333860740203
Energy: 0.8422918621827816
Energy: 0.6843914454885702
Energy: 0.678207185675842
Energy: 0.6891903373027042
Energy: 0.6901572445645835
Energy: 0.6761355959064868
Energy: 0.84341812357818
Energy: 0.6839452620209937
Energy: 0.678717507158028
Energy: 0.6912631400890479
Energy: 0.6891997825580457
Energy: 0.6774886177372309
Energy: 0.8341996788403827
Energy: 0.6607310383007591
Energy: 0.6593442980277281
Energy: 0.6900456233063299
Energy: 0.6603703560155192
Energy: 0.6784458990177027
Energy: 0.780764434162793
Energy: 0.6577395871110681
Energy: 0.6611792946606323
Energy: 0.6864945795207943
Energy: 0.6590802271964771
Energy: 0.6581673435758095
Energy: 0.7699860644214981
Energy: 0.6830689812813259
Energy: 0.6781177513171627
Energy: 0.6981567775893706
Energy: 0.6871271390978428
Energy: 0.6755170941559909
Energy: 0.7810724373158884
Energy: 0.6839842383548149
Energy: 0.6805155440766927
Energy: 0.6921813926509768
Energy: 0.6888367974205398
Energy: 0.6804115684321775
Energy: 0.8322993002216187
Energy: 0.6770472928882837
Energy: 0.6765464970246846
Energy: 0.691465595088382
Energy: 0.6824237512116597
Energy: 0.6790597634536846
Energy: 0.7028800703217347
Energy: 0.6796697270845296
Energy: 0.6573362539783179
Energy: 0.6601129401038186
Energy: 0.6875202323054739
Energy: 0.6593262806050609
Energy: 0.7029683185805575
Energy: 0.6816986771120085
Energy: 0.678128063445981
Energy: 0.659213872455922
Energy: 0.6867304608966884
Energy: 0.6595380703452329
Energy: 0.8362717920579794
Energy: 0.6797252490974001
Energy: 0.6773715730116793
Energy: 0.6865068429190342
Energy: 0.6897501796599325
Energy: 0.6765292758286522
Energy: 1.3850234016101461
Energy: 0.6814616745371553
Energy: 0.6773981299951164
Energy: 0.6814207627759032
Energy: 0.6879351492018231
Energy: 0.6756631577951485
Energy: 0.8345973814711439
Energy: 0.6802465855767886
Energy: 0.6779498287413604
Energy: 0.6892880455697544
Energy: 0.687947737523321
Energy: 0.677484327788676
Energy: 0.8426313413386345
Energy: 0.6597364551561589
Energy: 0.656606418164585
Energy: 0.6900334341761983
Energy: 0.6594397960569756
Energy: 0.6582180185184188
Energy: 0.7739549526864633
Energy: 0.6776747155826907
Energy: 0.6768476433619449
Energy: 0.6915425853079722
Energy: 0.6650912495836987
Energy: 0.6777079161291107
Energy: 0.7787096457353957
Energy: 0.6774439592697097
Energy: 0.676105327109955
Energy: 0.691923378212468
Energy: 0.6818926259563414
Energy: 0.6772814825761934
Energy: 0.8404968819293805
Energy: 0.6840723686018784
Energy: 0.6796087644499189
Energy: 0.690312916927941
Energy: 0.6891889080033842
Energy: 0.6785873456252852
Energy: 0.7029591329881917
Energy: 0.6839616557897873
Energy: 0.6795643551722953
Energy: 0.6598958992099977
Energy: 0.6878487231227838
Energy: 0.6774617545760759

minimum gb energy = 0.6559613471644828 eV
minimum distance =  2.44427862681557 Angstroms
sigma value = 11


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

Energy: 2.0207386638927414
Energy: 0.9372998549286347
Energy: 1.199442597511825
Energy: 0.9502935272980191
Energy: 1.1887071665505604
Energy: 1.1976966184478375
Energy: 1.0121935081891034
Energy: 0.941732172732719
Energy: 0.9449486924809134
Energy: 0.9355491474588966
Energy: 0.9372479344053537
Energy: 0.9402077791175757
Energy: 1.00514267631249
Energy: 0.9362740602773019
Energy: 0.9371100464815972
Energy: 0.9352604158303233
Energy: 0.9355191747650566
Energy: 0.9406098953439096
Energy: 1.0038146640372183
Energy: 0.9386189043885035
Energy: 0.938803369324106
Energy: 0.9350881624371272
Energy: 0.9352071168753902
Energy: 0.9392976766352034
Energy: 0.9875283092201835
Energy: 1.0715511079786604
Energy: 1.0729172275781873
Energy: 0.9378026562909351
Energy: 1.069289789248347
Energy: 0.9413088639519468
Energy: 1.049849386817572
Energy: 0.9461953116763537
Energy: 0.9455678009645259
Energy: 0.9337721695347374
Energy: 0.9387158078629159
Energy: 1.0713974795982144
Energy: 1.05916043881003
Energy: 0.9399868517286938
Energy: 0.9405983027707916
Energy: 0.9364913565608101
Energy: 0.9357520855277219
Energy: 0.9403358034344135
Energy: 1.0147403615864736
Energy: 1.1888524275898136
Energy: 1.1465334524933894
Energy: 0.9329698122937435
Energy: 1.1478537849381587
Energy: 0.9525155112563927
Energy: 1.052960747696335
Energy: 0.9363677073701882
Energy: 0.9376753193626773
Energy: 0.9375756908347236
Energy: 0.9358785185086561
Energy: 0.9401288240971003
Energy: 1.4310186588638771
Energy: 0.9373142271899161
Energy: 0.9440578584530362
Energy: 0.9391538413453419
Energy: 0.9368300372156932
Energy: 0.9431994777750625
Energy: 1.095898214671424
Energy: 1.0685054664848603
Energy: 1.0733085187674385
Energy: 1.0689879558926842
Energy: 1.0688218034826815
Energy: 1.0736659364782433
Energy: 1.2649823117622947
Energy: 0.9338532663369591
Energy: 0.9376302961754153
Energy: 1.191613972540638
Energy: 0.9363532225398394
Energy: 0.9363196022313307
Energy: 1.478633191578821
Energy: 0.9355374261167342
Energy: 0.9331738409577258
Energy: 1.1496597244265747
Energy: 0.9344888424166762
Energy: 0.9369151443325237
Energy: 1.2627985805241217
Energy: 1.200018705761563
Energy: 1.2015233496592976
Energy: 1.0752388150830068
Energy: 1.0737146664771895
Energy: 1.2005931699350618
Energy: 1.2640757290876221
Energy: 0.9374671094016336
Energy: 0.938403671711812
Energy: 1.0718587091130394
Energy: 0.9375807098768735
Energy: 1.074340361574689
Energy: 1.5363496692835086
Energy: 1.0740153235678076
Energy: 1.2001021225109083
Energy: 1.070691435759102
Energy: 1.0734456114404494
Energy: 1.2003486431166022
Energy: 1.7207880554412252
Energy: 0.9564138451515528
Energy: 0.9388140885117792
Energy: 1.3698888207442352
Energy: 0.9621931843790266
Energy: 0.938911633427891
Energy: 1.9910284913665783
Energy: 1.0707409885830677
Energy: 1.0718118083595733
Energy: 0.9362432592303338
Energy: 1.070315412354001
Energy: 1.0723989016064421
Energy: 1.0992935311494076
Energy: 0.9397510772739623
Energy: 0.9388679367862872
Energy: 0.9355389584481982
Energy: 0.9347878040593568
Energy: 0.9381930433239359
Energy: 1.3824423619754067
Energy: 1.1701414398248997
Energy: 1.1948995595691765
Energy: 1.1526241373288013
Energy: 0.9343227336438197
Energy: 0.9456974492742761
Energy: 1.536014409692404
Energy: 1.0690955556158832
Energy: 1.0716793962285012
Energy: 1.0712262147590228
Energy: 1.1963688117759155
Energy: 1.0701992451266882
Energy: 0.9921256351645925
Energy: 0.9413416265633451
Energy: 0.942339365886993
Energy: 1.0716646374559111
Energy: 0.9398421287159199
Energy: 1.200997631431739
Energy: 0.9960374561368978
Energy: 1.0704649309476344
Energy: 1.0742647058581787
Energy: 0.9386046976136516
Energy: 0.9429398519335298
Energy: 1.0735477288966992
Energy: 1.2125159280159912
Energy: 0.93522332500401
Energy: 0.9359002675717653
Energy: 1.1480405411174435
Energy: 0.9347718128237885
Energy: 0.9356432521848576
Energy: 1.1996936381302585
Energy: 0.9377689124190297
Energy: 0.9369000865262292
Energy: 0.9452910338235121
Energy: 0.9345562947811343
Energy: 0.9349946051647762
Energy: 1.0870111408309364
Energy: 0.9377242708152164
Energy: 0.9411389295476247
Energy: 1.1952878284985218
Energy: 0.9349493355901718
Energy: 0.9424768971332836

minimum gb energy = 0.9329698122937435 eV
minimum distance =  2.41758769302499 Angstroms
sigma value = 41


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

Energy: 2.22337542063419
Energy: 0.9975607955884918
Energy: 0.9972984568201744
Energy: 1.8126627576022634
Energy: 0.999094199347545
Energy: 1.031494308021957
Energy: 1.1010854096863951
Energy: 0.9977216690798343
Energy: 0.9963243124830751
Energy: 1.0027012850839567
Energy: 1.0047651229540673
Energy: 0.9961469988257733
Energy: 1.0593971324562974
Energy: 0.9984896856058756
Energy: 0.9981848794825067
Energy: 0.9998488673518937
Energy: 0.9989658632690127
Energy: 0.998405639590151
Energy: 1.0592567061402494
Energy: 1.0002475833951958
Energy: 0.9984902175141018
Energy: 1.0003163204030914
Energy: 1.0005787811241647
Energy: 0.9988212732249502
Energy: 1.0614615232234825
Energy: 1.0095704495452638
Energy: 1.0077559391515063
Energy: 1.0028828321145784
Energy: 1.005594778862251
Energy: 0.998395084306336
Energy: 1.1578484280771753
Energy: 0.9992530117852957
Energy: 1.0026616081965731
Energy: 1.002274534435181
Energy: 1.0004188975696278
Energy: 1.0005267527234607
Energy: 1.159092763138593
Energy: 1.0019613135610337
Energy: 0.9993364318294111
Energy: 1.0000364449685946
Energy: 1.002450315432295
Energy: 0.998837551146986
Energy: 1.0983051451360195
Energy: 1.0007973178886767
Energy: 1.0015998266792892
Energy: 1.0034243447792184
Energy: 1.0001281175902765
Energy: 0.9930268932094493
Energy: 1.1612759877380232
Energy: 0.997571984905787
Energy: 1.0019799046780038
Energy: 0.9974622701805579
Energy: 1.0020192785482889
Energy: 1.0000076046852835
Energy: 1.6972237145819784
Energy: 1.000962448052138
Energy: 0.9989037674802361
Energy: 1.0044111813516239
Energy: 0.9997638988362636
Energy: 0.9974634221013461
Energy: 1.1577728262834743
Energy: 1.0020818567322691
Energy: 1.0011516913826066
Energy: 1.0050512273342864
Energy: 1.003514445511389
Energy: 1.001541171541227
Energy: 1.1595296871794352
Energy: 0.9939933558038426
Energy: 0.9944737726344824
Energy: 1.0030844351737722
Energy: 0.9972334235295476
Energy: 1.0008568715695554
Energy: 1.0658012578314968
Energy: 0.9957436851643168
Energy: 0.9952583100581196
Energy: 1.003098935754272
Energy: 0.996591234292612
Energy: 0.9953485678362175
Energy: 1.0706363128884284
Energy: 0.9966033611755538
Energy: 0.9951544724604724
Energy: 1.0035379760839351
Energy: 0.9977265899548965
Energy: 0.9948237718395699
Energy: 1.0683862541408926
Energy: 0.996977241184155
Energy: 0.9962258639995766
Energy: 0.9998812848102121
Energy: 1.0274502485422567
Energy: 0.9988063042113683
Energy: 1.0649224747056494
Energy: 0.9992614788931785
Energy: 0.9974440066725766
Energy: 1.003648485311868
Energy: 0.9977972857543749
Energy: 0.9980104464012112
Energy: 2.21032863663026
Energy: 1.0114700679097377
Energy: 1.0088472910533561
Energy: 1.0141980985993604
Energy: 1.0100258328510119
Energy: 1.004345041661567
Energy: 1.0995181952275932
Energy: 1.0023584606071498
Energy: 0.9996747175073681
Energy: 1.0008754214820867
Energy: 1.0039584550891403
Energy: 0.9987502210715167
Energy: 1.0608105129789034
Energy: 0.9975966652185339
Energy: 0.9970605474799275
Energy: 1.0036669210090376
Energy: 0.9985987629091498
Energy: 0.9992294782096391
Energy: 1.0588754725055096
Energy: 1.000030819421232
Energy: 0.9972322022703742
Energy: 0.9993667064853504
Energy: 0.9982788427932784
Energy: 0.9971155692641352
Energy: 1.0635320123285428
Energy: 0.9983547521157221
Energy: 1.0016029976418812
Energy: 1.003978877529857
Energy: 1.0007754285717478
Energy: 0.9994439842483601
Energy: 1.8111754520708334
Energy: 1.2993178730648334
Energy: 1.298775532085495
Energy: 1.4197451339997254
Energy: 1.0409347614307691
Energy: 1.2874193249658663
Energy: 1.1610976015600585
Energy: 1.0004502107400455
Energy: 0.998026924178342
Energy: 1.0058289249990264
Energy: 1.0019288591128248
Energy: 0.9959601260722072
Energy: 1.0981981041064823
Energy: 1.0410084751337134
Energy: 1.0407108501430007
Energy: 1.0025548020072896
Energy: 0.9997037954762309
Energy: 0.9976428807245932
Energy: 1.1592591282430798
Energy: 1.002453110655646
Energy: 0.998139108528453
Energy: 0.9956732109328238
Energy: 1.0024639438681309
Energy: 0.9977729262147729
Energy: 1.1604406175874502
Energy: 1.002200838539444
Energy: 1.001217346002279
Energy: 1.0045308926174714
Energy: 1.0032550608511963
Energy: 1.0020424670957397
Energy: 1.1575847297442239
Energy: 1.0008414011193163
Energy: 0.9986369668497597
Energy: 1.0036277217941965
Energy: 1.0003175478152584
Energy: 0.9969848322723299
Energy: 1.1559097010152473
Energy: 1.003059437220305
Energy: 1.0132958351554906
Energy: 1.0022830960358236
Energy: 0.9962288872081274
Energy: 1.0017076417611415
Energy: 1.0684375847309642
Energy: 0.9987015179628137
Energy: 1.0037515769573955
Energy: 0.9913697167030773
Energy: 0.996100827908591
Energy: 1.0500254950191743
Energy: 1.0667138508827652
Energy: 1.012357845353738
Energy: 1.014346603213266
Energy: 1.0016109472443677
Energy: 1.0121756408699372
Energy: 1.0150265203657463
Energy: 1.066879014495179
Energy: 0.9968967680357584
Energy: 0.9967955155145459
Energy: 0.9999390224036877
Energy: 1.3228072863181186
Energy: 1.0019819335228226
Energy: 1.0659490338081834
Energy: 1.0009188031129348
Energy: 0.9985083493416927
Energy: 0.9981551144155524
Energy: 0.9961053275016553
Energy: 0.9966858537491249
Energy: 1.2174328626870066
Energy: 1.00051562793829
Energy: 1.0035443775428363
Energy: 1.0016570826626856
Energy: 1.0018525602344783
Energy: 0.9985002714469017

minimum gb energy = 0.9913697167030773 eV
minimum distance =  2.40444113058466 Angstroms
sigma value = 33


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

Energy: 1.3171822540229643
Energy: 1.073212877245195
Energy: 1.0750745247378581
Energy: 1.1526403778052956
Energy: 1.0795753558740255
Energy: 1.0774611721361906
Energy: 1.2078304002695772
Energy: 1.0790095989896609
Energy: 1.0761906030223178
Energy: 1.082848065408809
Energy: 1.0791154026329322
Energy: 1.0760081498806335
Energy: 1.1469822900032487
Energy: 1.083490401288348
Energy: 1.0813972819571422
Energy: 1.0826736115407658
Energy: 1.0868335775651488
Energy: 1.07924840606345
Energy: 1.1485198836047963
Energy: 1.0794241411342276
Energy: 1.078229371177231
Energy: 1.0801659773158683
Energy: 1.0812993074970607
Energy: 1.0789720523830986
Energy: 1.1425318864981018
Energy: 1.0818895108420232
Energy: 1.0843399821627815
Energy: 1.0759968308095713
Energy: 1.0886313198460535
Energy: 1.085396889232156
Energy: 1.1401062383413592
Energy: 1.0867250837970635
Energy: 1.083481228540139
Energy: 1.0737364142351746
Energy: 1.0893971327449787
Energy: 1.0836922031260552
Energy: 1.2089497975405092
Energy: 1.0923667508589066
Energy: 1.0757936449938243
Energy: 1.0843431249788045
Energy: 1.0935673779948183
Energy: 1.0813504801767546
Energy: 1.1974561377853858
Energy: 1.0927185795247751
Energy: 1.1445069876870186
Energy: 1.080172932492909
Energy: 1.0938425798225515
Energy: 1.087822185270055
Energy: 1.2086083597989765
Energy: 1.092372434262674
Energy: 1.0933953886104797
Energy: 1.0870970720716004
Energy: 1.0841365320715304
Energy: 1.1037534824675856
Energy: 1.2135758426526337
Energy: 1.0983009457668007
Energy: 1.0985328656171465
Energy: 1.0828945588124943
Energy: 1.0881034380271934
Energy: 1.0986610199446942
Energy: 1.2102425491639708
Energy: 1.0945134745695502
Energy: 1.0742306826420083
Energy: 1.0826917715443072
Energy: 1.095347202296227
Energy: 1.0770293252245955
Energy: 1.2096027144942079
Energy: 1.0773899265173406
Energy: 1.0779429307912916
Energy: 1.0807755349474155
Energy: 1.0754750363597618
Energy: 1.0954102900100695
Energy: 1.1407517841130832
Energy: 1.0759098150701027
Energy: 1.07705112496797
Energy: 1.080575152363259
Energy: 1.0751005436807353
Energy: 1.0785180290890812
Energy: 1.1500042251892397
Energy: 1.0806047490464268
Energy: 1.0786196730269844
Energy: 1.0796696296631627
Energy: 1.0813233605699295
Energy: 1.0797459740027284
Energy: 1.0909025801819383
Energy: 1.0773449523028944
Energy: 1.077147565439206
Energy: 1.0849963161905927
Energy: 1.0817003030984524
Energy: 1.076938867048871
Energy: 1.1595955168755838
Energy: 1.0866353903064359
Energy: 1.0812165564258467
Energy: 1.0810494864516695
Energy: 1.0837090482516774
Energy: 1.078157660076029
Energy: 1.2152616339787397
Energy: 1.0792100797112887
Energy: 1.0874232086882258
Energy: 1.0909305509285525
Energy: 1.0747313026830214
Energy: 1.0830155543702722
Energy: 1.2128721267738922
Energy: 1.0895388585212422
Energy: 1.0947144918115308
Energy: 1.0890104000206895
Energy: 1.0791892367112255
Energy: 1.104702431663132
Energy: 1.2349059987659234
Energy: 1.0796183243544033
Energy: 1.0779943084264225
Energy: 1.0801733970366632
Energy: 1.0803495014405107
Energy: 1.0975623209202598
Energy: 1.1010948956506104
Energy: 1.0777512523545945
Energy: 1.076654445228759
Energy: 1.0876360189582381
Energy: 1.0803950379162368
Energy: 1.0969430182848294
Energy: 1.0994880536704141
Energy: 1.092716272641686
Energy: 1.093950726634764
Energy: 1.0859797819193469
Energy: 1.0931456823338992
Energy: 1.0933055290085771
Energy: 1.1024893840537067
Energy: 1.0867421983529695
Energy: 1.0996159545183124
Energy: 1.088214357975316
Energy: 1.0867102092257015
Energy: 1.0937427214211335
Energy: 1.1463782257401887
Energy: 1.0798371197507384
Energy: 1.0779050713714968
Energy: 1.0964951100573055
Energy: 1.0821180620560493
Energy: 1.0935773835729223
Energy: 1.2056584555361864
Energy: 1.0794092917804985
Energy: 1.0729175830343807
Energy: 1.0752763527496125
Energy: 1.078651474345053
Energy: 1.0723315700745126
Energy: 1.2049647438159792
Energy: 1.0834209681202593
Energy: 1.0919346285585352
Energy: 1.0961563414715598
Energy: 1.0823458797217176
Energy: 1.0814972184227343
Energy: 1.1494410860835902
Energy: 1.0814785957330433
Energy: 1.075889379930333
Energy: 1.0810722767383225
Energy: 1.0848188349860781
Energy: 1.0790228230852206
Energy: 1.1468437825052522
Energy: 1.0784183050002658
Energy: 1.078370501802244
Energy: 1.0816327595458148
Energy: 1.0810465373524152
Energy: 1.078632807994247
Energy: 1.144351916412443
Energy: 1.078954388720891
Energy: 1.0906307077676463
Energy: 1.0776843642996572
Energy: 1.0918471970356418
Energy: 1.0911374189430234
Energy: 1.1393488925103812
Energy: 1.0859447611833146
Energy: 1.0818725512450058
Energy: 1.0734200387303419
Energy: 1.0903460355249837
Energy: 1.0855923835181784
Energy: 1.208670471964307
Energy: 1.0934843363103612
Energy: 1.09252013373191
Energy: 1.087392208018706
Energy: 1.0930348186612369
Energy: 1.0806523524316405
Energy: 1.1921049901255376
Energy: 1.0939293212288426
Energy: 1.142521933284816
Energy: 1.0769369575951473
Energy: 1.0865956658933078
Energy: 1.0827175811763803
Energy: 1.2092329182858248
Energy: 1.0923543905193245
Energy: 1.0929679037646536
Energy: 1.0931919931614604
Energy: 1.0894407607901548
Energy: 1.0928359749910046
Energy: 1.2119265521377303
Energy: 1.0967879266431582
Energy: 1.0966873489480549
Energy: 1.0805376908572826
Energy: 1.0972048702788844
Energy: 1.0934836722867791
Energy: 1.2116521752448162
Energy: 1.0963012554504796
Energy: 1.0951381977687864
Energy: 1.0802331011788073
Energy: 1.0907444931664316
Energy: 1.0784876015871434
Energy: 1.2093321368506795
Energy: 1.076577480175452
Energy: 1.1021478117057046
Energy: 1.0828609659347366
Energy: 1.0803265035261131
Energy: 1.093728590676288
Energy: 1.139875776727366
Energy: 1.0772353565231712
Energy: 1.0750430078763766
Energy: 1.076743678660697
Energy: 1.0727698815810514
Energy: 1.074856280826471
Energy: 1.1645345943451262
Energy: 1.0775573290661604
Energy: 1.0806627729091123
Energy: 1.0828074579660232
Energy: 1.0796101510583023
Energy: 1.0809069856092808
Energy: 1.1664914091893592
Energy: 1.0755553080204256
Energy: 1.0810778647929027
Energy: 1.1634943994721618
Energy: 1.076084111478696
Energy: 1.0748206083357983
Energy: 1.1650443596948663
Energy: 1.083415859674782
Energy: 1.0766404728976615
Energy: 1.0822057795099818
Energy: 1.0827362966787915
Energy: 1.0749324909644271
Energy: 1.2135036370363026
Energy: 1.079605062794181
Energy: 1.079118415739782
Energy: 1.0889065311643422
Energy: 1.0759028575340757
Energy: 1.0846381114381933
Energy: 1.213470798441929
Energy: 1.0860000084376187
Energy: 1.093869277493665
Energy: 1.0862736477562382
Energy: 1.0768608351023667
Energy: 1.094398902078095
Energy: 1.1480217054552666
Energy: 1.0856302990111062
Energy: 1.0834090042849607
Energy: 1.085464541323021
Energy: 1.0790280286287488
Energy: 1.0753447314240987
Energy: 1.10268719095161
Energy: 1.0795352236672955
Energy: 1.0782513912220835
Energy: 1.08808757914259
Energy: 1.0814145363060386
Energy: 1.0751464347593471
Energy: 1.103701184727089
Energy: 1.0944766638648034
Energy: 1.0960584218630691
Energy: 1.085221043865481
Energy: 1.0943161179633214
Energy: 1.1026961539920048
Energy: 1.1032665155969903
Energy: 1.0873891539794325
Energy: 1.0886193038286047
Energy: 1.0965648226010607
Energy: 1.461500998290349
Energy: 1.090182505237951
Energy: 1.1472200745238177
Energy: 1.0798564051588482
Energy: 1.0778963186772987
Energy: 1.095010127570939
Energy: 1.089626805174014
Energy: 1.0778086209690079
Energy: 1.1904201532018461
Energy: 1.077309601205331
Energy: 1.0752975427277336
Energy: 1.0735142309635164
Energy: 1.0775365254557385
Energy: 1.0774238055508547

minimum gb energy = 1.0723315700745126 eV
minimum distance =  2.41329644522175 Angstroms
sigma value = 67


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

Energy: 1.7775020438953428
Energy: 1.266341025591347
Energy: 1.2681569570726414
Energy: 1.264488629886536
Energy: 1.1527173703581535
Energy: 1.2673086239988347
Energy: 1.2915725278876287
Energy: 1.181338137557944
Energy: 1.1802090645393277
Energy: 1.1798628614867348
Energy: 1.181108049408766
Energy: 1.17990875009828
Energy: 1.2142156473984076
Energy: 1.14098712186878
Energy: 1.1411074049403076
Energy: 1.1432710251103642
Energy: 1.1388501744823976
Energy: 1.139501269270702
Energy: 1.214204648713918
Energy: 1.1412211705911808
Energy: 1.1409671890124038
Energy: 1.1432315454704136
Energy: 1.1408455179641057
Energy: 1.1432787042453922
Energy: 1.2596654090030364
Energy: 1.1817134971228518
Energy: 1.186248693705619
Energy: 1.185374025253111
Energy: 1.1819099131901816
Energy: 1.1823108829689652
Energy: 1.2611761895118996
Energy: 1.1660160259039993
Energy: 1.1858899896838344
Energy: 1.1870724090096356
Energy: 1.1676305635465103
Energy: 1.1848757200547881
Energy: 1.291223486050159
Energy: 1.1816576316292735
Energy: 1.180500518063545
Energy: 1.145069864984941
Energy: 1.1813290335746995
Energy: 1.1801367388631951

minimum gb energy = 1.1388501744823976 eV
minimum distance =  2.42003799328646 Angstroms
sigma value = 3


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

Energy: 1.6515229284708701
Energy: 1.2617524448565787
Energy: 1.2197277397335247
Energy: 1.3669796308381463
Energy: 1.7114940326658223
Energy: 1.2187486266613021
Energy: 1.275577395539629
Energy: 1.31400530900502
Energy: 1.3068369333508636
Energy: 1.2951466799791007
Energy: 1.311872209676516
Energy: 1.3024661288453871
Energy: 1.3700669937274839
Energy: 1.2618946641438307
Energy: 1.262379889782728
Energy: 1.3465947695690776
Energy: 1.3434035168989527
Energy: 1.3259503744633276
Energy: 1.2992428745177484
Energy: 1.3149110366379937
Energy: 1.3089071897092979
Energy: 1.2915947573170925
Energy: 1.2748203106235885
Energy: 1.3020034328239272
Energy: 1.2643694158400198
Energy: 1.2439153128560918
Energy: 1.2403194402079811
Energy: 1.2448430379893591
Energy: 1.2506851900166511
Energy: 1.2344037291848171
Energy: 1.3194889264369554
Energy: 1.2424410652353457
Energy: 1.2398103469233543
Energy: 1.276502573844467
Energy: 1.232673702129386
Energy: 1.2327254678442532
Energy: 1.2657985199818016
Energy: 1.2408491624349889
Energy: 1.243970750276778
Energy: 1.2399421073063304
Energy: 1.2370291991876208
Energy: 1.2453284330653096
Energy: 1.5977262079744037
Energy: 1.3259433649564354
Energy: 1.3460912117048511
Energy: 1.3587641500942578
Energy: 1.325981610040012
Energy: 1.3358382986357527
Energy: 1.2643877829119023
Energy: 1.4388995450451352
Energy: 1.2993055213267617
Energy: 1.2413501320116
Energy: 1.2394802722417286
Energy: 1.2990594045849075
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Energy: 1.3549157251109025
Energy: 1.3589569757888236
Energy: 1.345853534251752
Energy: 1.359753293481757
Energy: 1.350309941212878
Energy: 1.3347705096028772
Energy: 1.2719683920602873
Energy: 1.271866990457253
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Energy: 1.2095657868863834
Energy: 1.238460952675702
Energy: 1.3359443376073825
Energy: 1.2444768662764618
Energy: 1.228329575022045
Energy: 1.2492456268238297
Energy: 1.2435051072406764
Energy: 1.23395954592094
Energy: 1.2921712681223965
Energy: 1.2341410158762491
Energy: 1.2385671133488696
Energy: 1.222030309050333
Energy: 1.2350990405117448
Energy: 1.2389738972399047
Energy: 1.4340530176550312
Energy: 1.2935140711487592
Energy: 1.2757256168758802
Energy: 1.299023463628656
Energy: 1.2949051193406755
Energy: 1.427281815787239
Energy: 1.424919376361899
Energy: 1.3428481082234343
Energy: 1.352374727305513
Energy: 1.279067529284265
Energy: 1.345908152736988
Energy: 1.3527861405915929
Energy: 1.4347836166752947
Energy: 1.3135626847878503
Energy: 1.3024930944236786
Energy: 1.308089718100467
Energy: 1.2910552644154707
Energy: 1.3060292023478044
Energy: 1.4344401561297515
Energy: 1.3698222436379717
Energy: 1.3540921065762492
Energy: 1.2978367097699917
Energy: 1.3658926032436136
Energy: 1.3147751754882462
Energy: 1.4832758482908368
Energy: 1.3113515133534845
Energy: 1.3093245734325267
Energy: 1.3097810871044886
Energy: 1.3107971961376392
Energy: 1.3096091707339201
Energy: 1.4879072706984735
Energy: 1.2979668908293756
Energy: 1.3041658610778375
Energy: 1.334980223409018
Energy: 1.3164068516236744
Energy: 1.3477964084493852
Energy: 1.386429784503957
Energy: 1.2950122710792524
Energy: 1.3039020590738364
Energy: 1.338086921716795
Energy: 1.3295510226495484
Energy: 1.3508102332427363
Energy: 1.2737490062769097
Energy: 1.212425538441956
Energy: 1.2129445920434914
Energy: 1.21737520756411
Energy: 1.2178025557613157
Energy: 1.2101162769088183
Energy: 1.2736226042430137
Energy: 1.2151448094907906
Energy: 1.2125808216067384
Energy: 1.2128282297957373
Energy: 1.2145216264673042
Energy: 1.2127532155368979
Energy: 1.2722675916476487
Energy: 1.2099307957422019
Energy: 1.2089884407391147
Energy: 1.217659267857533
Energy: 1.2123271394554123
Energy: 1.2067188718048891
Energy: 1.3223281782743903
Energy: 1.3541296389286646
Energy: 1.3597212815851645
Energy: 1.2814892229278632
Energy: 1.3505119886380985
Energy: 1.3510368356156437
Energy: 1.300872941956319
Energy: 1.3127930815109543
Energy: 1.311333358242376
Energy: 1.2908048207491478
Energy: 1.312768868625763
Energy: 1.309233329857046
Energy: 1.5046419418614072
Energy: 1.3295106797774447
Energy: 1.2613788439658067
Energy: 1.2687002661462758
Energy: 1.3288036441133064
Energy: 1.2827198645212097
Energy: 1.2969837033524423
Energy: 1.3214644034930725
Energy: 1.2729190304914817
Energy: 1.2624906055927563
Energy: 1.3269018518679618
Energy: 1.2838955923679922
Energy: 1.335852612376642
Energy: 1.3094205883411834
Energy: 1.308550627203477
Energy: 1.291120985388559
Energy: 1.3166194369074278
Energy: 1.3012319373498862
Energy: 1.367043566177714
Energy: 1.3474837437647251
Energy: 1.3458081587675674
Energy: 1.3475866971176809
Energy: 1.34225598465313
Energy: 1.3524324223406063
Energy: 1.4099722164550237
Energy: 1.237106759592537
Energy: 1.2375453902404876
Energy: 1.3757349338816203
Energy: 1.2161460789301932
Energy: 1.2350146433749365
Energy: 1.3193999898830406
Energy: 1.278161712984543
Energy: 1.2796790115313608
Energy: 1.2751774333190593
Energy: 1.278562819038512
Energy: 1.2733889977151291
Energy: 1.2641820496675653
Energy: 1.2418919490273803
Energy: 1.234671974948584
Energy: 1.2426696054442508
Energy: 1.2471460339596714
Energy: 1.239775747200298
Energy: 1.4469429080924143
Energy: 1.3226946775335058
Energy: 1.3253166915040058
Energy: 1.3592263504772237
Energy: 1.2394784214994232
Energy: 1.304414742614791
Energy: 1.4946284619599541
Energy: 1.2430902010580462
Energy: 1.2433886650492512
Energy: 1.3248398159425239
Energy: 1.238438191203533
Energy: 1.2355402213093096
Energy: 1.2639342776927172
Energy: 1.2633488814561016
Energy: 1.2640373170537227
Energy: 1.241266306706034
Energy: 1.2715851750919764
Energy: 1.245066308468812
Energy: 1.3338925332509355
Energy: 1.3558321883229252
Energy: 1.3579250563892313
Energy: 1.2360569507796755
Energy: 1.3620485543188456
Energy: 1.3389376746146742
Energy: 1.3356616722649748
Energy: 1.237361145038615
Energy: 1.2391376956159432
Energy: 1.2430537157625832
Energy: 1.2395214149054719
Energy: 1.240590969054971
Energy: 1.2913536849821947
Energy: 1.2725527702036563
Energy: 1.2722674678531736
Energy: 1.2146675372147078
Energy: 1.2789158168988013
Energy: 1.2781176023261225
Energy: 1.2695202960662586
Energy: 1.2406303530022755
Energy: 1.2341483473695285
Energy: 1.2127867188715846
Energy: 1.2400744754837867
Energy: 1.237674492819677
Energy: 1.3390382380085089
Energy: 1.344404599273245
Energy: 1.3151828242173738
Energy: 1.2798796138744593
Energy: 1.3241975928813106
Energy: 1.3125976146685658
Energy: 1.4366502352433548
Energy: 1.2963309892330575
Energy: 1.2999417600638197
Energy: 1.3147856745441808
Energy: 1.293235103656134
Energy: 1.3040181577358096
Energy: 1.4335749058632146
Energy: 1.253981805294332
Energy: 1.2385439417854776
Energy: 1.303186648279922
Energy: 1.32755641531975
Energy: 1.3448144247406866
Energy: 1.483315415576541
Energy: 1.3409481872588345
Energy: 1.3297280198500967
Energy: 1.3116116107096298
Energy: 1.3584777853697383
Energy: 1.3262385852673566
Energy: 1.4884891510892353
Energy: 1.294478403160325
Energy: 1.2997439403285123
Energy: 1.3103305629856234
Energy: 1.2882780811801446
Energy: 1.309224751023331
Energy: 1.5410327961535069
Energy: 1.278678092508945
Energy: 1.3505160634688222
Energy: 1.3878887427631315
Energy: 1.290709923676442
Energy: 1.3509926407298345
Energy: 1.2720111232905196
Energy: 1.2137276699472814
Energy: 1.2056449016539912
Energy: 1.2103765602238807
Energy: 1.21332975200521
Energy: 1.2052995037807226
Energy: 1.271133561155518
Energy: 1.209314409743338
Energy: 1.210929713322924
Energy: 1.2182063760229682
Energy: 1.2115995775644357
Energy: 1.211177348189067
Energy: 1.2720119062456585
Energy: 1.2101023041758228
Energy: 1.2101031284492194
Energy: 1.2156695779438171
Energy: 1.2208121822676956
Energy: 1.2108977479969856
Energy: 1.3771230345093373
Energy: 1.3185993236365887
Energy: 1.2957335439666517
Energy: 1.335003648315325
Energy: 1.3206483404526992
Energy: 1.3102289798770617
Energy: 1.3707494838884777
Energy: 1.31080239011122
Energy: 1.3117763248723753
Energy: 1.3445551937482585
Energy: 1.3101450329368214
Energy: 1.298561745904395
Energy: 1.2756988460658787
Energy: 1.2404043917866217
Energy: 1.3025274306736352
Energy: 1.2613931217325316
Energy: 1.2397742373150256
Energy: 1.3089584713422724

minimum gb energy = 1.2052995037807226 eV
minimum distance =  2.38711021266614 Angstroms
sigma value = 81


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

Energy: 2.987147498373453
Energy: 1.3139356589635367
Energy: 1.3614195846455717
Energy: 1.3381485567049312
Energy: 1.3393874884759658
Energy: 1.5704567986886224
Energy: 1.4337116298452417
Energy: 1.2170634056177325
Energy: 1.3563462824307244
Energy: 1.2042565959353604
Energy: 1.2844642044855767
Energy: 1.2077259684660822
Energy: 1.4521238166568449
Energy: 1.3955268562080057
Energy: 1.3944757029384744
Energy: 1.2562072029750269
Energy: 1.3977869358088033
Energy: 1.2217871749992655
Energy: 1.1997237963891083
Energy: 1.4033578777071318
Energy: 1.2051480360815834
Energy: 1.213165434987961
Energy: 1.3992468927863955
Energy: 1.2057353432305618
Energy: 1.5192646509023675
Energy: 1.2729199070393074
Energy: 1.517931657041293
Energy: 1.5358212802643822
Energy: 1.2533004037824644
Energy: 1.2794415143336761
Energy: 1.5515863836723336
Energy: 1.5433998222488443
Energy: 1.2760704171418404
Energy: 1.5332973559608916
Energy: 1.2675834610852614
Energy: 1.5409116743827511
Energy: 1.6494612110030074
Energy: 1.5510397397185864
Energy: 1.5547458148310394
Energy: 1.5487355919295023
Energy: 1.5535383788846542
Energy: 1.554105933092597
Energy: 1.634494813989632
Energy: 1.5052421231776754
Energy: 1.5045985960521016
Energy: 1.495858878432585
Energy: 1.7151893203386221
Energy: 1.5750006553628637
Energy: 1.5849464847508627
Energy: 1.5012031738981177
Energy: 1.5022736560929586
Energy: 1.526519377187196
Energy: 1.5027020339444108
Energy: 1.5055823233707164
Energy: 1.5669341801199055
Energy: 1.4272954285669635
Energy: 1.4271532449631963
Energy: 1.533279991923679
Energy: 1.5353721758770946
Energy: 1.5362484994585193
Energy: 1.5261620153571847
Energy: 1.3769758933691523
Energy: 1.381570538551181
Energy: 1.5229587264924074
Energy: 1.366722226387445
Energy: 1.5294770430250106
Energy: 1.4047567240875636
Energy: 1.3959196405072143
Energy: 1.389432020973048
Energy: 1.4003906027220978
Energy: 1.614074343603014
Energy: 1.3891976045246155
Energy: 1.4755536381415184
Energy: 1.3918551924208162
Energy: 1.3825984878832838
Energy: 1.3974124182455385
Energy: 1.3925181120468308
Energy: 1.3955910324461214
Energy: 1.52977749109255
Energy: 1.4588820291339282
Energy: 1.4581990452432039
Energy: 1.4457819941738097
Energy: 1.391653869576674
Energy: 1.4001697222183376
Energy: 1.5548527229573472
Energy: 1.5373376536701482
Energy: 1.5374163632914302
Energy: 1.5609040094006958
Energy: 1.5317116277491414
Energy: 1.5518118724948489
Energy: 1.8557800745364035
Energy: 1.5650994601530175
Energy: 1.547831073871598
Energy: 1.5374138516410623
Energy: 1.5667885748636539
Energy: 1.5386847482916393
Energy: 1.72753166448439
Energy: 1.5083938581995164
Energy: 1.494012119974117
Energy: 1.5402176541663193
Energy: 1.5035614863682076
Energy: 1.4962674511264717
Energy: 1.7154492372498262
Energy: 1.7339228894648526
Energy: 1.7224359384881185
Energy: 1.7144320044816144
Energy: 1.7248109844528754
Energy: 1.7198345614260429
Energy: 1.6440449469524268
Energy: 1.7574981626098711
Energy: 1.525455363083505
Energy: 1.4900947770415511
Energy: 1.754599878087788
Energy: 1.5312311625344344
Energy: 1.6439223522140645
Energy: 1.2896228090635
Energy: 1.532741894168199
Energy: 1.5345170978818556
Energy: 1.2818822529524112
Energy: 1.5334163102220164
Energy: 1.6294082446392026
Energy: 1.3876488010854038
Energy: 1.6246354066134057
Energy: 1.6216168474014023
Energy: 1.6498720520230554
Energy: 1.6287247819056647
Energy: 1.5677754700354665
Energy: 1.3958020777032816
Energy: 1.3961261563362797
Energy: 1.6395846837603165
Energy: 1.3956346372251371
Energy: 1.3958281493019253
Energy: 1.3837053942987008
Energy: 1.4458742658644312
Energy: 1.4548895171438578
Energy: 1.654023476376257
Energy: 1.4460618359742115
Energy: 1.6434610368103473
Energy: 1.5614155081957872
Energy: 1.5526302824923826
Energy: 1.5526550652008393
Energy: 1.5574538796884063
Energy: 1.535127624065063
Energy: 1.5514812288891096
Energy: 1.5917402098213618
Energy: 1.515006841870065
Energy: 1.6014841175908754
Energy: 1.5532108194661862
Energy: 1.5405855743298982
Energy: 1.5473520012195705
Energy: 1.49264548741464
Energy: 1.500939687990356
Energy: 1.501436170259748
Energy: 1.508673759227527
Energy: 1.5016623066691221
Energy: 1.5014492040865062
Energy: 1.5237262849851159
Energy: 1.713735354261804
Energy: 1.5011615737886534
Energy: 1.5122843248788755
Energy: 1.4999929220445383
Energy: 1.5005662466540384
Energy: 1.5291474485917618
Energy: 1.477078286666522
Energy: 1.5171852976097893
Energy: 1.5228377401837827
Energy: 1.3709364825099963
Energy: 1.5305679925190268
Energy: 1.5695644428042554
Energy: 1.5331263813660998
Energy: 1.5427136199769158
Energy: 1.5382840217708347
Energy: 1.4277235553519176
Energy: 1.4251672401058675
Energy: 1.532126597977706
Energy: 1.3965560302135063
Energy: 1.3963825790558235
Energy: 1.3945507107673154
Energy: 1.393365084247016
Energy: 1.386659920163226
Energy: 1.403933273455359
Energy: 1.6036589323411348
Energy: 1.6005241522628624
Energy: 1.3952551245534597
Energy: 1.3922346338789828
Energy: 1.3958331515909383
Energy: 1.5885202877514852
Energy: 1.4503683311534703
Energy: 1.4496779155038182
Energy: 1.461571880999915
Energy: 1.4532880520658624
Energy: 1.438712782372735
Energy: 1.5138492616137764
Energy: 1.5414564063848524
Energy: 1.5327113662438179
Energy: 1.528454617235322
Energy: 1.3007525224215348
Energy: 1.2699821808360938
Energy: 1.5126183641725377
Energy: 1.2715689440538767
Energy: 1.5256385542268938
Energy: 1.529608212676075
Energy: 1.2886595888497983
Energy: 1.2702416589014296
Energy: 1.5275710366528636
Energy: 1.3397083595629284
Energy: 1.3401713526978702
Energy: 1.3425033376787712
Energy: 1.5104342044962566
Energy: 1.3398005245219218
Energy: 1.5977174487549752
Energy: 1.5008386581899744
Energy: 1.5011875352516544
Energy: 1.3563336516553446
Energy: 1.501790270965103
Energy: 1.8007102399488057
Energy: 1.347101263476686
Energy: 1.354751538340771
Energy: 1.354735860948471
Energy: 1.35370088517633
Energy: 1.3022066434957171
Energy: 1.3474352221887789
Energy: 1.4978536782173402
Energy: 1.3274878085058173
Energy: 1.3099415371138117
Energy: 1.3162619610187511
Energy: 1.3295638082732755
Energy: 1.5090407825673335

minimum gb energy = 1.1997237963891083 eV
minimum distance =  2.24066353724875 Angstroms
sigma value = 43


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

Energy: 1.7778622298266178
Energy: 1.2590576038514714
Energy: 1.2117113697586408
Energy: 1.3943523667104882
Energy: 1.28906702956679
Energy: 1.4718041806999063
Energy: 1.2710314577362867
Energy: 1.1735763513202548
Energy: 1.219321233442231
Energy: 1.3115990821090449
Energy: 1.1734125394682953
Energy: 1.2228232482826231
Energy: 1.2938044133482622
Energy: 1.2529766365758337
Energy: 1.2674092273023787
Energy: 1.3041176372772216
Energy: 1.252381348669712
Energy: 1.2877126953660347
Energy: 1.3223753572687948
Energy: 1.2751780757278237
Energy: 1.2131142372835955
Energy: 1.3219076580099762
Energy: 1.2754873447677904
Energy: 1.2856904129799869
Energy: 1.2249872125754295
Energy: 1.1473025022199212
Energy: 1.1475612981276027
Energy: 1.149059496297159
Energy: 1.1474856895993228
Energy: 1.1473937390647675
Energy: 1.2206200380087677
Energy: 1.1474769207815467
Energy: 1.1477046533632427
Energy: 1.147630569703057
Energy: 1.1479590047712696
Energy: 1.1476039020307864
Energy: 1.2186335416317566
Energy: 1.1487892887938245
Energy: 1.1486287518094571
Energy: 1.1502752926330986
Energy: 1.1508955719999117
Energy: 1.1487677443404485
Energy: 1.3564541077284429
Energy: 1.3154460029904504
Energy: 1.2990448307677305
Energy: 1.2311308856167462
Energy: 1.3046267311312163
Energy: 1.3535825137364772
Energy: 1.2201292455106765
Energy: 1.2931177019352844
Energy: 1.3088910952099375
Energy: 1.1805165135350801
Energy: 1.286720990778882
Energy: 1.2875063773188886
Energy: 1.503130206871445
Energy: 1.3290681934936899
Energy: 1.3273808729363263
Energy: 1.2680258202018384
Energy: 1.3232909762266027
Energy: 1.3272762268862344
Energy: 1.226205147409561
Energy: 1.3127720561937155
Energy: 1.3118227820759483
Energy: 1.1748621580664083
Energy: 1.3406531134531827
Energy: 1.1731802052619977
Energy: 1.4043591329301346
Energy: 1.2869208794467448
Energy: 1.2895582758150494
Energy: 1.189486331010505
Energy: 1.2874003457064356
Energy: 1.2871363711157846
Energy: 1.4067234191835791
Energy: 1.2863287698515855
Energy: 1.3227192008356845
Energy: 1.283844007042425
Energy: 1.315125278426205
Energy: 1.3244249449673517
Energy: 1.2232622976345782
Energy: 1.1744958191963322
Energy: 1.1757822556414699
Energy: 1.1719822133758924
Energy: 1.1714183622566998
Energy: 1.1759317591425464
Energy: 1.2196761570479397
Energy: 1.2231727599132787
Energy: 1.1762796694916995
Energy: 1.1739727512649654
Energy: 1.149730820994588
Energy: 1.1736917866400565
Energy: 1.216831814004884
Energy: 1.1497620210137431
Energy: 1.1557507538595688
Energy: 1.177996042146618
Energy: 1.1491053114390992
Energy: 1.1812029431719315
Energy: 1.2516931465393908
Energy: 1.2383925071452777
Energy: 1.2395406470288262
Energy: 1.230402841515859
Energy: 1.179488465287311
Energy: 1.236680355154413
Energy: 1.2557990652941329
Energy: 1.2371974583050294
Energy: 1.2269793547892558
Energy: 1.2300024415814648
Energy: 1.231069501273681
Energy: 1.2289378386645433
Energy: 1.4853916223890309
Energy: 1.223544663450576
Energy: 1.2286953352905814
Energy: 1.3414682346996154
Energy: 1.2303506367010644
Energy: 1.303093841087311
Energy: 1.4631770696270836
Energy: 1.2273029355944114
Energy: 1.2334884483219881
Energy: 1.3397957707411394
Energy: 1.2359970995131249
Energy: 1.3026097175433036
Energy: 1.2571214227179184
Energy: 1.2210837035854176
Energy: 1.2281384157998227
Energy: 1.229417493384322
Energy: 1.1949095185130336
Energy: 1.23370058144458
Energy: 1.341316818471423
Energy: 1.3419108530658417
Energy: 1.4202862541583137
Energy: 1.22774507752091
Energy: 1.2969104523751762
Energy: 1.4635028982120537
Energy: 1.4194895732216153
Energy: 1.2238055831080916
Energy: 1.2270987279561147
Energy: 1.2108809473690199
Energy: 1.2216665465079124
Energy: 1.2267109638078384
Energy: 1.3062776514858896
Energy: 1.2316423427561793
Energy: 1.2342161225281818
Energy: 1.1986928284680283
Energy: 1.2306410316358527
Energy: 1.2343117962815775
Energy: 1.421459139615416
Energy: 1.2305495408234133
Energy: 1.224232014697417
Energy: 1.2104639029756683
Energy: 1.2356783041573054
Energy: 1.2334661730553573
Energy: 1.2708649040448494
Energy: 1.1741194383685376
Energy: 1.1746341809575616
Energy: 1.1711447923466434
Energy: 1.1762903870874932
Energy: 1.173818485607414
Energy: 1.27341432851503
Energy: 1.1739994302810475
Energy: 1.1734241971279655
Energy: 1.1743517739310276
Energy: 1.1745230395552202
Energy: 1.1725342540989478
Energy: 1.2692718647513954
Energy: 1.1731267743389517
Energy: 1.1716937220148147
Energy: 1.1740245718423545
Energy: 1.1718808476078284
Energy: 1.1717584067784717
Energy: 1.3269923527577103
Energy: 1.3127539519327804
Energy: 1.3151067184956409
Energy: 1.353689952938938
Energy: 1.2515668921034075
Energy: 1.2303859301707158
Energy: 1.2940201749093214
Energy: 1.1734800193170742
Energy: 1.1729590526274407
Energy: 1.2950073923219478
Energy: 1.173184116106634
Energy: 1.2857545309600367
Energy: 1.5000289661045525
Energy: 1.2273435865837015
Energy: 1.2712699335359057
Energy: 1.3567871987584803
Energy: 1.2267487773466745
Energy: 1.273754553188034

minimum gb energy = 1.1473025022199212 eV
minimum distance =  2.39218763397605 Angstroms
sigma value = 57


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

Energy: 1.7880317811302997
Energy: 1.661520356418913
Energy: 1.461247642537582
Energy: 1.165231758092609
Energy: 1.369155184954848
Energy: 1.6099775128155125
Energy: 1.370681482368822
Energy: 1.201973289380772
Energy: 1.1983525626517226
Energy: 1.1882196789344794
Energy: 1.1908499582434762
Energy: 1.1406124973030938
Energy: 1.628512953297052
Energy: 1.3175776351839836
Energy: 1.3164615306708665
Energy: 1.185156112579859
Energy: 1.3177916477971743
Energy: 1.315641890824423
Energy: 1.6250146387892028
Energy: 1.3184069378505499
Energy: 1.318083853741233
Energy: 1.1321532088007498
Energy: 1.317627627863795
Energy: 1.1903861104914395
Energy: 1.595563906513019
Energy: 1.1899016349102718
Energy: 1.4575218234161746
Energy: 1.1981494984271754
Energy: 1.1898280274258812
Energy: 1.136606871637885
Energy: 1.421952090093207
Energy: 1.19827587510865
Energy: 1.1900609920716192
Energy: 1.1650296808124634
Energy: 1.187341040583374
Energy: 1.134289262052527
Energy: 1.6683401515385836
Energy: 1.1397274472312213
Energy: 1.4847623768910982
Energy: 1.4810834002466098
Energy: 1.1838053766523786
Energy: 1.4829224630424254
Energy: 1.4894768158860034
Energy: 1.6091207386136335
Energy: 1.6062192678916511
Energy: 1.3254803227241363
Energy: 1.6293500423742355
Energy: 1.6053611878658463
Energy: 1.6600373646068693
Energy: 1.5971090251024402
Energy: 1.5969659839547363
Energy: 1.475689763268725
Energy: 1.6121014403551674
Energy: 1.478025591419442
Energy: 1.7876687155536435
Energy: 1.4386136700160597
Energy: 1.4438781764583115
Energy: 1.5947957506475474
Energy: 1.4381391143408773
Energy: 1.44451312572228
Energy: 1.7274606462099154
Energy: 1.3394247842867422
Energy: 1.5975292372753322
Energy: 1.5976387982648146
Energy: 1.3355259077238257
Energy: 1.5953211190877439
Energy: 1.163765352654992
Energy: 1.5982725534968556
Energy: 1.6008247397698927
Energy: 1.1253888950930722
Energy: 1.6150435172817936
Energy: 1.270141462910053
Energy: 1.1618957251849291
Energy: 1.6109497914523607
Energy: 1.3540638162093912
Energy: 1.353688178077047
Energy: 1.6427587741382497
Energy: 1.3583991552545354
Energy: 1.722709462059208
Energy: 1.4936219062705707
Energy: 1.4923939035857767
Energy: 1.5989751628865416
Energy: 1.4941231709783047
Energy: 1.4893111723840176
Energy: 1.7208123299425893
Energy: 1.322132036977881
Energy: 1.3636083772360128
Energy: 1.5960949474167143
Energy: 1.3177344776782147
Energy: 1.3367697843551536
Energy: 1.6340143844534534
Energy: 1.4758473507925525
Energy: 1.4787185323992174
Energy: 1.4820245933732612
Energy: 1.479483258755855
Energy: 1.4758606463598456
Energy: 1.658170842086888
Energy: 1.4736142048656502
Energy: 1.4758524238489457
Energy: 1.4779183573563888
Energy: 1.4758907188847972
Energy: 1.4732701246783388
Energy: 1.6587716279277003
Energy: 1.4732792713867953
Energy: 1.4764478580816705
Energy: 1.480053609517665
Energy: 1.489381574062383
Energy: 1.4749637433475946
Energy: 1.6477107559265847
Energy: 1.2587334298832538
Energy: 1.298069108477623
Energy: 1.2055417019540584
Energy: 1.3048297773097746
Energy: 1.2365740917860362
Energy: 1.6471917598626282
Energy: 1.2979291213826867
Energy: 1.396522867747342
Energy: 1.1405260294338444
Energy: 1.3566604946427625
Energy: 1.298793856921229
Energy: 1.6508315624322352
Energy: 1.2782667000207277
Energy: 1.138847485264123
Energy: 1.134287836372264
Energy: 1.300766639108994
Energy: 1.1362713955087023
Energy: 1.7781759383714724
Energy: 1.4775242477082222
Energy: 1.5034526657744276
Energy: 1.2961777029513608
Energy: 1.4775598787524815
Energy: 1.503945710483419
Energy: 1.564564119567426
Energy: 1.3010446522410342
Energy: 1.1368882025591944
Energy: 1.1831267347388694
Energy: 1.3004383552483472
Energy: 1.1894150924067335
Energy: 1.3957774641967735
Energy: 1.2981557737964842
Energy: 1.3546717549623206
Energy: 1.3537250283910456
Energy: 1.2977884033134424
Energy: 1.5457558760332053

minimum gb energy = 1.1253888950930722 eV
minimum distance =  2.24793086288937 Angstroms
sigma value = 17


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

Energy: 1.668363980608463
Energy: 1.3455176333149566
Energy: 1.3449496137500798
Energy: 1.0822428658532213
Energy: 1.5055064474868711
Energy: 1.0863805913240705
Energy: 1.2728214571034764
Energy: 1.094705695572858
Energy: 1.094960100446076
Energy: 1.3094836553717604
Energy: 1.2616297943388202
Energy: 1.0955397080446048
Energy: 1.2018676830087125
Energy: 1.057292175812915
Energy: 1.0543490928511705
Energy: 1.1288746572307404
Energy: 1.0601368507501843
Energy: 1.052289245527237
Energy: 1.3532800375809317
Energy: 1.0582177586895367
Energy: 1.0561107429522398
Energy: 1.2628149826088817
Energy: 1.0563768047117534
Energy: 1.0970018825870391
Energy: 1.3701771012006208
Energy: 1.0228440159305507
Energy: 1.0228491521539431
Energy: 1.2049239911177585
Energy: 1.02340092886822
Energy: 1.024148955492627
Energy: 1.1790417950947432
Energy: 1.0338142532856731
Energy: 1.0340710448454062
Energy: 1.0098697451895515
Energy: 1.0343136550050107
Energy: 1.0006355664448423
Energy: 1.2304893127262666
Energy: 1.0019212809497775
Energy: 1.0001062876800462
Energy: 1.0031574729063326
Energy: 1.0725359137464576
Energy: 1.0036397062457136
Energy: 1.1408205265655584
Energy: 0.9999323025388465
Energy: 1.0002130421956026
Energy: 1.0007274186948305
Energy: 1.0018388548977746
Energy: 1.0019745489231981
Energy: 1.0997661493428805
Energy: 0.9999010501248747
Energy: 1.004843775243055
Energy: 1.1007272034486024
Energy: 1.0003031282019956
Energy: 1.005057895393258
Energy: 1.1396881168140136
Energy: 1.0345609155332154
Energy: 1.034197728647184
Energy: 1.0239141482932577
Energy: 1.0350475280980072
Energy: 1.0338741511683844
Energy: 1.224661429343789
Energy: 1.026014129870717
Energy: 1.0242532032506062
Energy: 1.0237940267144985
Energy: 1.0255086284838553
Energy: 1.0229828920356592
Energy: 1.3450684590005828
Energy: 1.0939491900381726
Energy: 1.0938571055357862
Energy: 1.0388518449614128
Energy: 1.2608021823913584
Energy: 1.0968797746445298
Energy: 1.346614421109235
Energy: 1.1303227722205438
Energy: 1.1307814014813342
Energy: 1.0408107558497275
Energy: 1.188362527353912
Energy: 1.1311232757332619
Energy: 1.3906207495787952
Energy: 1.1317762505556184
Energy: 1.0675871145336695
Energy: 1.3038376310357758
Energy: 1.1296463247453368
Energy: 1.0671502345451216
Energy: 1.3394016626248586
Energy: 1.2045991709515778
Energy: 1.1775510756889216
Energy: 1.1314250667088452
Energy: 1.2410847768643078
Energy: 1.1765234088101588
Energy: 1.4371943767284718
Energy: 1.093832341950271
Energy: 1.0979043218260147
Energy: 1.1323074956199377
Energy: 1.1324879306180708
Energy: 1.0945347515642794
Energy: 1.4161586127312733
Energy: 1.129865433009495
Energy: 1.2187709014512307
Energy: 1.0744973431816378
Energy: 1.1305758884726615
Energy: 1.187932799943729

minimum gb energy = 0.9999010501248747 eV
minimum distance =  2.38663126984059 Angstroms
sigma value = 17


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

Energy: 1.1577227687536682
Energy: 1.2109088831227321
Energy: 1.0693019300540552
Energy: 0.9943491212826219
Energy: 1.3402988413581622
Energy: 0.9893789856115143
Energy: 1.2254773636829117
Energy: 1.041390222637148
Energy: 0.9916872643489062
Energy: 1.0399596017786836
Energy: 1.058301125962445
Energy: 0.9964447468833827
Energy: 1.5709210426582711
Energy: 0.9287094330431929
Energy: 0.9758820944336997
Energy: 1.0295024529316203
Energy: 0.9294104995409357
Energy: 0.9740707551295033
Energy: 1.3370161825616909
Energy: 0.9763595939705171
Energy: 0.9754620596883223
Energy: 1.0305105995707073
Energy: 0.9194681890976146
Energy: 0.974116777082223
Energy: 1.208441104964977
Energy: 0.9443241524518059
Energy: 0.945512931094925
Energy: 0.964953674110452
Energy: 0.944513709235236
Energy: 0.9458057165811319
Energy: 1.1226075803539355
Energy: 0.943376569485583
Energy: 0.9184132833641876
Energy: 0.9237708298756985
Energy: 0.9432609718592108
Energy: 0.9188798783942413
Energy: 1.1491534627620028
Energy: 0.9456051790922899
Energy: 0.9155574056913771
Energy: 0.9204942867309526
Energy: 0.9515733797256621
Energy: 0.9158229232292057
Energy: 1.130582617988145
Energy: 0.9025512318756411
Energy: 0.9090273414199145
Energy: 0.9157669181858594
Energy: 0.9047314956319906
Energy: 0.913753433351823
Energy: 1.1587390233413488
Energy: 0.9107407212516878
Energy: 0.9103999741274773
Energy: 1.1596660337727862
Energy: 0.9204192024527812
Energy: 0.9194018054294817
Energy: 1.1456692118589626
Energy: 0.9160109969225171
Energy: 0.916331864400444
Energy: 0.9368949945703056
Energy: 0.9156886699715087
Energy: 0.9163410298258294
Energy: 1.031102570394617
Energy: 0.9106603964370538
Energy: 0.9132256431362369
Energy: 0.9117545974195274
Energy: 0.9331295322993519
Energy: 0.9141903740586079
Energy: 1.153973309482727
Energy: 0.9211621373788568
Energy: 0.9092621022105196
Energy: 0.9219835233881943
Energy: 1.045075801467065
Energy: 0.910536192617283
Energy: 1.0874033599208293
Energy: 0.9081895882274664
Energy: 0.9079338358672185
Energy: 0.9112045766932468
Energy: 0.9179482968576249
Energy: 0.9083725443252567
Energy: 1.1911019651079207
Energy: 0.9158479645641988
Energy: 0.9156109706475694
Energy: 1.0719807055063961
Energy: 0.9174259344841514
Energy: 0.916046503558806
Energy: 1.1901480465198455
Energy: 0.9291589444374018
Energy: 0.9291919927424946
Energy: 0.944255857125507
Energy: 0.929809793219297
Energy: 0.9451770210160431
Energy: 1.1907934438372627
Energy: 0.9448647062914516
Energy: 0.9458674538791926
Energy: 0.9463686022880345
Energy: 1.0409567337776509
Energy: 0.9460348652222109
Energy: 1.158052454259455
Energy: 1.0300226880981689
Energy: 1.0404406882705202
Energy: 0.9492703496944789
Energy: 1.0301586027986653
Energy: 0.9530848753414137
Energy: 1.2098496234729696
Energy: 1.030447980893336
Energy: 1.0312882428283898
Energy: 0.948573485663332
Energy: 1.0298573346674564
Energy: 0.9525859887288786
Energy: 1.355448040484798
Energy: 1.039893557103171
Energy: 0.9931195962038676
Energy: 1.0410353601991496
Energy: 0.951413554329225
Energy: 0.9464107319572879
Energy: 1.4542139530861837
Energy: 0.9915219817887329
Energy: 0.9908242151079483
Energy: 1.0276120490811178
Energy: 0.9927363654641969
Energy: 1.0865492132486372
Energy: 1.3642385040328233
Energy: 1.0409105760080581
Energy: 0.9957926905835449
Energy: 1.0440064248098022
Energy: 1.0413019220432507
Energy: 0.9949697875330991
Energy: 1.1583423337508072
Energy: 1.0855900079343104
Energy: 1.1018140225744781
Energy: 0.9891257806611865
Energy: 1.0856713082947482
Energy: 0.9863618476554272
Energy: 1.3216838760605187
Energy: 1.0415241854103416
Energy: 0.9445186394534683
Energy: 0.9879754668504224
Energy: 1.0418047628436116
Energy: 1.01071836661672
Energy: 1.3641150932090518
Energy: 0.9586102879426555
Energy: 0.9905648934250865
Energy: 1.0304718416983265
Energy: 0.9362757126076491
Energy: 1.0309091255733194
Energy: 1.334384667057525
Energy: 0.9294489437808368
Energy: 0.9754940060992078
Energy: 1.0301298792884004
Energy: 0.9305677849457756
Energy: 0.974582208998392
Energy: 1.3385841517531347
Energy: 0.9531983498236978
Energy: 0.9533803937480229
Energy: 0.9895393405622636
Energy: 0.9538184277654927
Energy: 0.9456804059937842
Energy: 1.1238628373963602
Energy: 0.9449008861904764
Energy: 0.9452068005611337
Energy: 0.9230646390753395
Energy: 0.945407045284629
Energy: 0.9515053966286207
Energy: 1.1415756334758507
Energy: 0.9452858876703486
Energy: 0.9598417708000562
Energy: 0.9635731737121127
Energy: 0.9525391364611538
Energy: 0.948179620767647
Energy: 1.1262683016302255
Energy: 0.9113176277865048
Energy: 0.9109126318834911
Energy: 0.9109233620976728
Energy: 0.9113626563545705
Energy: 0.9102021415039444
Energy: 1.1500487599390383
Energy: 0.9025041188813121
Energy: 0.909031230526231
Energy: 1.0426992434104598
Energy: 0.9045050519864369
Energy: 0.9083537828415502
Energy: 1.1533882665234152
Energy: 0.9063316913743248
Energy: 0.90767664287484
Energy: 1.1535427527931603
Energy: 0.9061336447045736
Energy: 0.907789106988557
Energy: 1.0367232803352706
Energy: 0.9078789509878027
Energy: 0.9081798904432107
Energy: 0.9062416072599857
Energy: 0.9084405896196542
Energy: 0.9096847362711825
Energy: 1.1490089642454795
Energy: 1.0454220226048232
Energy: 1.0470672910633991
Energy: 0.9321166504531777
Energy: 1.1557241513128624
Energy: 1.0413189585144402
Energy: 1.0848298767999252
Energy: 0.9152906922299099
Energy: 0.9158359463963756
Energy: 0.9134352593845018
Energy: 0.9206423563865711
Energy: 0.9158888763881441
Energy: 1.1919868003679213
Energy: 0.9148066690291773
Energy: 0.9163109326390404
Energy: 0.9530967874798291
Energy: 0.9132110729324946
Energy: 0.9143768295462613
Energy: 1.1900510902931938
Energy: 0.9170135778830226
Energy: 0.9453858408625118
Energy: 0.9439914471600519
Energy: 0.9176367039828155
Energy: 0.9443607168301298
Energy: 1.0760088840883812
Energy: 0.9460569757595981
Energy: 0.945009008738927
Energy: 0.943309644212725
Energy: 0.9480342162029788
Energy: 0.9437075212707503
Energy: 1.1504611250156387
Energy: 1.0307853980997377
Energy: 0.9511031001869485
Energy: 0.9447673945328674
Energy: 1.0300502467478931
Energy: 0.9554371845519981
Energy: 1.140274316662519
Energy: 1.0295345339131634
Energy: 0.991789995056062
Energy: 0.9567840633916503
Energy: 1.0288927223651991
Energy: 0.9857708118400546
Energy: 1.3514384434271685
Energy: 1.0436729123864699
Energy: 1.041207392745001
Energy: 0.953820229317574
Energy: 1.0431774147607575
Energy: 0.9956903905744144
Energy: 1.4848559252031701
Energy: 0.9655721195378315
Energy: 1.1036214213691347
Energy: 1.0853346879670116
Energy: 0.9659842605589327
Energy: 1.1033336303356513
Energy: 1.4575710222743536
Energy: 1.0241099126458466
Energy: 0.9997541091233089
Energy: 1.029205367869889
Energy: 0.9712326604046105
Energy: 1.03080981864944
Energy: 1.3209279845465502
Energy: 1.0295916795339062
Energy: 1.0307264456588612
Energy: 1.0494452199225877
Energy: 1.0290516538038317
Energy: 1.0629923716013154

minimum gb energy = 0.9025041188813121 eV
minimum distance =  2.38959630616423 Angstroms
sigma value = 57


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

Energy: 1.0571404795495758
Energy: 1.0936320831080295
Energy: 0.9830799042014291
Energy: 0.8626555479867775
Energy: 1.193621912742188
Energy: 0.983853612009062
Energy: 1.162581547804539
Energy: 0.8859930732671513
Energy: 0.8859306358389882
Energy: 0.9543165483563952
Energy: 0.9716249829868295
Energy: 0.9207809510480437
Energy: 1.4902157480221059
Energy: 0.8557491785806279
Energy: 0.8557093820275985
Energy: 0.9470482413416771
Energy: 0.8556679873661096
Energy: 0.9004901091152636
Energy: 1.2587731735495833
Energy: 0.8551125983646956
Energy: 0.9011322228159012
Energy: 0.9482635620039112
Energy: 0.8463581337003211
Energy: 0.9007114407859657
Energy: 1.1227279146511624
Energy: 0.8878728182205732
Energy: 0.8873970052977123
Energy: 0.8884322458819472
Energy: 0.8880626040590466
Energy: 0.8745246849615803
Energy: 1.0409705478072784
Energy: 0.8723414541252029
Energy: 0.8504934851158433
Energy: 0.8385020516856886
Energy: 0.8724419955577584
Energy: 0.8519740606370624
Energy: 1.071213647028188
Energy: 0.8874280407937177
Energy: 0.8642485412949675
Energy: 0.8426263624082123
Energy: 0.8844159962481898
Energy: 0.8417808601936759
Energy: 1.0715807865993208
Energy: 0.8285700166512698
Energy: 0.8291533677690781
Energy: 0.8489429447482807
Energy: 0.8275157097486031
Energy: 0.8370800856444738
Energy: 1.0748406053318236
Energy: 0.8426848918751069
Energy: 0.8385207223530498
Energy: 1.0761439369681551
Energy: 0.836921014914992
Energy: 0.8504764670832906
Energy: 1.0893898147899939
Energy: 0.827231136095968
Energy: 0.8271516927660899
Energy: 0.9529149035931537
Energy: 0.8265308338060078
Energy: 0.8269584731052114
Energy: 1.0534926933499609
Energy: 0.8202946719353916
Energy: 0.819570877936808
Energy: 0.8213151970942051
Energy: 0.9379237673613251
Energy: 0.8201246250346181
Energy: 1.0751427427381073
Energy: 1.0365069166461238
Energy: 0.8323205934133151
Energy: 0.8282562835031768
Energy: 1.0544345447803358
Energy: 0.8320460734248489
Energy: 1.059047490183644
Energy: 0.9606674449755181
Energy: 0.9584207845777345
Energy: 0.8218114612081167
Energy: 0.9599076977051273
Energy: 0.822377008135169
Energy: 1.048438907012496
Energy: 0.8274790762344973
Energy: 0.8275666508052414
Energy: 1.0499426822172084
Energy: 0.8255718383396972
Energy: 1.0344203624925254
Energy: 1.0462551544203826
Energy: 0.823011838881857
Energy: 0.8215414281030865
Energy: 0.903059782196541
Energy: 0.8228886612550764
Energy: 0.81995235451453
Energy: 1.092546760302837
Energy: 0.8588134745005113
Energy: 0.8328105547791507
Energy: 0.8239710640781708
Energy: 0.9553916440024258
Energy: 0.8331083671423183
Energy: 1.0496694093432277
Energy: 0.8350375189001515
Energy: 0.8364505735222801
Energy: 0.8243803204916577
Energy: 0.9650064565307311
Energy: 0.8373792833360599
Energy: 1.0901107938490437
Energy: 0.836331432834688
Energy: 0.8369150337963679
Energy: 0.8761714794914479
Energy: 0.8367112707542318
Energy: 0.8378670573043421
Energy: 1.1259397266359348
Energy: 0.8437225155111615
Energy: 0.8437380866345661
Energy: 0.8873125880803565
Energy: 0.8521108046018854
Energy: 0.8865552781507448
Energy: 1.1277590148376175
Energy: 0.8610997441140003
Energy: 0.843861690928483
Energy: 0.8830981678346345
Energy: 0.8405325008238929
Energy: 0.8860935960651839
Energy: 1.2746811171178838
Energy: 0.8854541558837637
Energy: 0.8822303112119296
Energy: 0.8834229955666667
Energy: 0.8835692035481307
Energy: 0.8842446402061018
Energy: 1.0485145239787594
Energy: 0.9482366285292563
Energy: 0.8780360844179009
Energy: 0.845531484793715
Energy: 0.9474023406985277
Energy: 0.8791035910035053
Energy: 1.1450386583922727
Energy: 0.9478049811533141
Energy: 0.9480420521360389
Energy: 0.8998977586709785
Energy: 0.9481784242969986
Energy: 0.9486361975634359
Energy: 1.377992850640447
Energy: 0.885554011175136
Energy: 0.8728440904960616
Energy: 0.8900244581888868
Energy: 0.8884800521178464
Energy: 0.8741498534029938
Energy: 1.4652257512248668
Energy: 0.8895539478768003
Energy: 0.9114783345133693
Energy: 0.9728090980379713
Energy: 0.8876537828420835
Energy: 1.0046742078819046
Energy: 1.4989895414359635
Energy: 0.9572847675190226
Energy: 0.9548418666085685
Energy: 0.9567651062389112
Energy: 0.9563283049816328
Energy: 0.9215101543537388
Energy: 1.0544428692687373
Energy: 0.9727672831650718
Energy: 0.9406884459753603
Energy: 0.8629297422079869
Energy: 0.9722801791016249
Energy: 0.9343436205608722

minimum gb energy = 0.819570877936808 eV
minimum distance =  2.39970545977443 Angstroms
sigma value = 43


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

Energy: 0.8827713751182543
Energy: 0.9190247759429327
Energy: 0.8607670918212638
Energy: 0.7389275374908496
Energy: 0.9568369871848175
Energy: 0.8234578170047206
Energy: 1.179279738304037
Energy: 0.7103078105001484
Energy: 0.7116963138090054
Energy: 0.7626366015096708
Energy: 0.7098886457541012
Energy: 0.712014308586053
Energy: 1.2409743433141276
Energy: 0.71063097466685
Energy: 0.7236688727845215
Energy: 0.7625281805291669
Energy: 0.7100432639557223
Energy: 0.7232357673905514
Energy: 1.0880137148839917
Energy: 0.7234598355707621
Energy: 0.7234733540394505
Energy: 0.7110681811987644
Energy: 0.8693572439478985
Energy: 0.7405143889425659
Energy: 0.9756470028306014
Energy: 0.7116590397606641
Energy: 0.7119634036052923
Energy: 0.7208255662092792
Energy: 0.7112417911592097
Energy: 0.7145189859734677
Energy: 0.8608719125016717
Energy: 0.7138099469246831
Energy: 0.7063838608687589
Energy: 0.7805566302109821
Energy: 0.7131742367010304
Energy: 0.6979881637019671
Energy: 1.0844668275372717
Energy: 0.7185662126559346
Energy: 0.7120123032297385
Energy: 0.6926256125658279
Energy: 0.7118255102538672
Energy: 0.6903105809180883
Energy: 1.0839905467511721
Energy: 0.68374904666088
Energy: 0.6847527416257582
Energy: 0.7431808717166322
Energy: 0.6830632613500568
Energy: 0.7423532156979152
Energy: 0.9205836896529289
Energy: 0.6862723628445669
Energy: 0.6899124500273986
Energy: 0.7787951315666473
Energy: 0.6969567429650557
Energy: 0.7750561830082952
Energy: 0.9172148719060023
Energy: 0.681184860339349
Energy: 0.6803561100337024
Energy: 0.6900170020256456
Energy: 0.6811554265907379
Energy: 0.6789221242555158
Energy: 0.8546606424342599
Energy: 0.7252555112315832
Energy: 0.6730576299463061
Energy: 0.6759494803780633
Energy: 0.6744857016736819
Energy: 0.6720225734381184
Energy: 0.9192881377577738
Energy: 0.8393442295549856
Energy: 0.6744228393671113
Energy: 0.6777411769314954
Energy: 0.7539678337752957
Energy: 0.6767708054786276
Energy: 0.9216055978156665
Energy: 0.7593675150761042
Energy: 0.76540579343455
Energy: 0.6803692280045833
Energy: 0.7534309791933992
Energy: 0.7613361406496679
Energy: 0.8662135484314962
Energy: 0.7453151642481268
Energy: 0.815646907957932
Energy: 0.8196614884197906
Energy: 0.7537701553283085
Energy: 0.8217478189761012
Energy: 0.8655012231957674
Energy: 0.6732233727349071
Energy: 0.6729538193317007
Energy: 0.8169691489763679
Energy: 0.6727304550547717
Energy: 0.6688990395374227
Energy: 0.8602609947456756
Energy: 0.7954461976791024
Energy: 0.665397706940968
Energy: 0.6669962565813395
Energy: 0.8136517330175315
Energy: 0.6650862712241432
Energy: 0.871176050241341
Energy: 0.8197967076809489
Energy: 0.7180461864694881
Energy: 0.6709092150505653
Energy: 0.8132972728986106
Energy: 0.6700960651119343
Energy: 0.856969705270693
Energy: 0.7501084285302054
Energy: 0.6768017840454917
Energy: 0.7571285642606558
Energy: 0.7452002633871855
Energy: 0.6693074715888221
Energy: 0.8560098403054365
Energy: 0.7462292068298849
Energy: 0.8067023299588566
Energy: 0.8565060321210842
Energy: 0.7458095439910951
Energy: 0.8118765380417899
Energy: 0.8567685275788129
Energy: 0.7477494889299984
Energy: 0.6825426084757558
Energy: 0.6651942483406488
Energy: 0.748084934100993
Energy: 0.6817877946532689
Energy: 0.8902831021457065
Energy: 0.7151259650374484
Energy: 0.6791105119357862
Energy: 0.6775723310014976
Energy: 0.817805212137416
Energy: 0.6774784649511607
Energy: 0.9182422333045729
Energy: 0.7616968137784104
Energy: 0.6661452252747583
Energy: 0.6687507043939765
Energy: 0.834371909200593
Energy: 0.6661144880183679
Energy: 0.8855654801561493
Energy: 0.6672137495909741
Energy: 0.6740839623015314
Energy: 0.8354827902907735
Energy: 0.6677562910722413
Energy: 0.6741041381744739
Energy: 0.8861556972567476
Energy: 0.760013898989777
Energy: 0.8354511202389693
Energy: 0.7549056870337338
Energy: 0.6841393805602152
Energy: 0.837132649315075
Energy: 0.9705168314568412
Energy: 0.7637000244824743
Energy: 0.7762993347796033
Energy: 0.6788921352319661
Energy: 0.7633385932849645
Energy: 0.7767203796557662
Energy: 0.971668043893029
Energy: 0.7761459845866612
Energy: 0.6892485125121096
Energy: 0.6742895633881189
Energy: 0.6887629231730871
Energy: 0.6733156098368671
Energy: 0.8581463509809942
Energy: 0.6877558509029122
Energy: 0.6878755791779636
Energy: 0.6845789543069085
Energy: 0.6911021016337968
Energy: 0.6842139584665281
Energy: 0.9491327729378722
Energy: 0.6877530957166158
Energy: 0.6884854564256759
Energy: 0.8582924256225953
Energy: 0.6873254007883515
Energy: 0.6889364275836646
Energy: 0.9705026549932215
Energy: 0.7045179360360597
Energy: 0.7120849598099027
Energy: 0.7103987369782225
Energy: 0.7060006996573971
Energy: 0.7109626701175074
Energy: 1.1800243251867875
Energy: 0.698247414785349
Energy: 0.7041977317651137
Energy: 0.7780926901406048
Energy: 0.696358125464212
Energy: 0.7561379001864195
Energy: 1.175200686621428
Energy: 0.7168190746052531
Energy: 0.7163765718989321
Energy: 0.7167931800315144
Energy: 0.7168638469814677
Energy: 0.7110336982763924
Energy: 0.8706489065190858
Energy: 0.7606353678278315
Energy: 0.7339196220594728
Energy: 0.7545067206838237
Energy: 0.7628759083261355
Energy: 0.7760057706378677
Energy: 0.9960761060475979
Energy: 0.7631398879726036
Energy: 0.7635618669744583
Energy: 0.7379146921976728
Energy: 0.7632524741295585
Energy: 0.7589975157837421
Energy: 1.1808614307244703
Energy: 0.7532641191589743
Energy: 0.7534400870963551
Energy: 0.7796235354641581
Energy: 0.8976088972499698
Energy: 0.7883536509907424
Energy: 1.242316434122882
Energy: 0.7334690439781733
Energy: 0.7539174690071699
Energy: 0.803710691231329
Energy: 0.8128073946402931
Energy: 0.7540777145056706
Energy: 1.2365989579300052
Energy: 0.7638402963004423
Energy: 0.7638327444933598
Energy: 0.7626294298550851
Energy: 0.7633883698059784
Energy: 0.7128670209971856

minimum gb energy = 0.6650862712241432 eV
minimum distance =  2.4135003919047 Angstroms
sigma value = 81


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

Energy: 0.019485930113689442
Energy: 0.07243492982069943
Energy: 0.020578255212219915
Energy: 0.023088830588984317
Energy: 0.02059041738726524
Energy: 0.020478334220625338
Energy: 0.07359992998741163
Energy: 0.020716073766577393
Energy: 0.020973491197246317
Energy: 0.0722239264390386
Energy: 0.02131007324632312
Energy: 0.0206820520196082
Energy: 0.07130852960952584
Energy: 0.020374404697262358
Energy: 0.02109675373843592
Energy: 0.07138989350435025
Energy: 0.020690199344516946
Energy: 0.0723433441893199
Energy: 0.02497995430142659
Energy: 0.020407645197704858
Energy: 0.020610670154208786
Energy: 0.023814769782683265
Energy: 0.02036455202837104
Energy: 0.07296890078795397
Energy: 0.07225500342880277
Energy: 0.07137041053643256
Energy: 0.0713459945277438
Energy: 0.07373632662996805
Energy: 0.07125055640502286
Energy: 0.07179018694812793
Energy: 0.021275190000075262
Energy: 0.020780374692288113
Energy: 0.02038703079771477
Energy: 0.02359988615894347
Energy: 0.020561034131073845
Energy: 0.020695282369331897
Energy: 0.07162492764569875
Energy: 0.020658218630717606
Energy: 0.02050672768252587
Energy: 0.07141817609282124
Energy: 0.0208444561459781
Energy: 0.020798064921243344
Energy: 0.07126972862221415
Energy: 0.020372760525317956
Energy: 0.02062032462739486
Energy: 0.07150465522222653
Energy: 0.020203331502406833
Energy: 0.07416850636961568
Energy: 0.02287279122908847
Energy: 0.02054741763211569
Energy: 0.07562418272703542
Energy: 0.024742486374335862
Energy: 0.020508755619144756
Energy: 0.07507812770938822
Energy: 0.02017575505942465
Energy: 0.07124486117710749
Energy: 0.07124650079481856
Energy: 0.020214032126872967
Energy: 0.07140747311673984
Energy: 0.07106092416433644

minimum gb energy = 0.019485930113689442 eV
minimum distance =  2.53084198851859 Angstroms
sigma value = 3


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

Energy: 0.8526728536704788
Energy: 0.8864871808048022
Energy: 0.8409372354677459
Energy: 0.7872031971548866
Energy: 0.8490035196559337
Energy: 0.7967527403996428
Energy: 0.899692066875183
Energy: 0.8589403778476623
Energy: 0.8569816696176858
Energy: 0.8626846015131608
Energy: 0.8704438806917065
Energy: 0.8554923454407726
Energy: 0.9069709033365497
Energy: 0.8077238791735933
Energy: 0.8082518835787695
Energy: 0.8691162232990035
Energy: 0.8092445104303087
Energy: 0.8387285214079949
Energy: 0.8829235582937051
Energy: 0.808898784847103
Energy: 0.8096005068875807
Energy: 0.8638920579751823
Energy: 0.8120581827951242
Energy: 0.839478577050115
Energy: 0.8301605736981689
Energy: 0.8602173836086148
Energy: 0.8574765224783036
Energy: 0.8301358701450706
Energy: 0.869077442127698
Energy: 0.8562194989487495
Energy: 0.8158666325944675
Energy: 0.861359666609298
Energy: 0.8332900400453904
Energy: 0.7572500322456934
Energy: 0.8611234027634903
Energy: 0.7942620511524789
Energy: 0.8822468018464915
Energy: 0.8698679780885619
Energy: 0.8667341501496976
Energy: 0.8643006665858033
Energy: 0.8701347621394332
Energy: 0.85988336409571
Energy: 0.880202270736478
Energy: 0.8152238619397961
Energy: 0.8159606161642058
Energy: 0.8658912640045998
Energy: 0.7788816991461917
Energy: 0.817345147212641
Energy: 0.8726962785773542
Energy: 0.8182972427266804
Energy: 0.845286781083986
Energy: 0.866982024264749
Energy: 0.8417753255597724
Energy: 0.8620041223638887
Energy: 0.8605851987046328
Energy: 0.8336297209139099
Energy: 0.8289689958619674
Energy: 0.8604069541104493
Energy: 0.8422817660301364
Energy: 0.8377981500065388
Energy: 0.8296623802755005
Energy: 0.831405959302345
Energy: 0.832521552729548
Energy: 0.7506531274429912
Energy: 0.8472833001023797
Energy: 0.7972409546158218
Energy: 0.7906417710103567
Energy: 0.8447963449791436
Energy: 0.8456413269650103
Energy: 0.7900382607391045
Energy: 0.8437785191904414
Energy: 0.7883556564085457
Energy: 0.7892532962794508
Energy: 0.7836899583007885
Energy: 0.8113839704812886
Energy: 0.789053760492617
Energy: 0.7350823582527823
Energy: 0.8123392196994099
Energy: 0.8323611503493157
Energy: 0.814049924491775
Energy: 0.8123423694327012
Energy: 0.7991229231247894
Energy: 0.780986984661012
Energy: 0.8185154261304669
Energy: 0.831184562686922
Energy: 0.7569074003935641
Energy: 0.7564733287235618
Energy: 0.8311294421041004
Energy: 0.7686261149859746
Energy: 0.7577233153850973
Energy: 0.8297651539649537
Energy: 0.7947016154762903
Energy: 0.8025500549200499
Energy: 0.7967638822458449
Energy: 0.8277202309343294
Energy: 0.7955677325485625
Energy: 0.7421874620905798
Energy: 0.8038084453787487
Energy: 0.801382088294681
Energy: 0.7417975273838192
Energy: 0.7955069412786121
Energy: 0.7423409949766416
Energy: 0.742178654273057
Energy: 0.7912881104272674
Energy: 0.7919986660377492
Energy: 0.7423950061928771
Energy: 0.7450946280039648
Energy: 0.7921862579895395
Energy: 0.8206576209648464
Energy: 0.8230149077190179
Energy: 0.7908423706942321
Energy: 0.7471691205149408
Energy: 0.8274468857737162
Energy: 0.7916635831287309
Energy: 0.829976040022469
Energy: 0.7415722116431878
Energy: 0.7410647865014619
Energy: 0.8289140301971218
Energy: 0.7526709509834671
Energy: 0.7418565826088963
Energy: 0.8289671777711468
Energy: 0.7941099290092146
Energy: 0.8034082015386457
Energy: 0.8272861031964189
Energy: 0.7977985928782088
Energy: 0.800588213911548
Energy: 0.7590769241441984
Energy: 0.7939468073355993
Energy: 0.8026171938306963
Energy: 0.758263172018484
Energy: 0.7970761527646383
Energy: 0.7581236530031886
Energy: 0.7597945041693849
Energy: 0.8149919755491962
Energy: 0.8153426799656891
Energy: 0.7597578230288731
Energy: 0.8142014589191046
Energy: 0.8137493637831577
Energy: 0.8306776052941713
Energy: 0.7921938480137394
Energy: 0.8137364471940469
Energy: 0.7858314100107545
Energy: 0.791524606765714
Energy: 0.7969650367085364
Energy: 0.8568960889487209
Energy: 0.7876807918307085
Energy: 0.7872954292212058
Energy: 0.8576927707361425
Energy: 0.7895847305789994
Energy: 0.7992627713396316
Energy: 0.8538027627466863
Energy: 0.8133164857709362
Energy: 0.8139854861829566
Energy: 0.854966704831375
Energy: 0.7807526588740951
Energy: 0.8336710762257789
Energy: 0.8395198729557929
Energy: 0.8135933815343434
Energy: 0.8144135390345449
Energy: 0.832860014661558
Energy: 0.8511617267639175
Energy: 0.8381799866904082
Energy: 0.8009885390156521
Energy: 0.861438296130325
Energy: 0.8616095867972343
Energy: 0.8012437874275289
Energy: 0.860593787986822
Energy: 0.8611557151020915
Energy: 0.8268561065744988
Energy: 0.8602757673306761
Energy: 0.8400283437053697
Energy: 0.7511956595217896
Energy: 0.8646303302197136
Energy: 0.7979501830421813
Energy: 0.8553502757542085
Energy: 0.8623674400300652
Energy: 0.8588019450889675
Energy: 0.8543002896709877
Energy: 0.8645203148124149
Energy: 0.8606329291667892
Energy: 0.8619971082444712
Energy: 0.8152145067703052
Energy: 0.8154374972769319
Energy: 0.8628125105851195
Energy: 0.7760369821363817
Energy: 0.8156376724367564
Energy: 0.9084654359559868
Energy: 0.8185514414522291
Energy: 0.8562947852257472
Energy: 0.8610129280421955
Energy: 0.8332034750455961
Energy: 0.8572431202234367
Energy: 0.8148353341614321
Energy: 0.8619503692759645
Energy: 0.8608504171710426
Energy: 0.8147988901970794
Energy: 0.8620194797460075
Energy: 0.8465781741205051

minimum gb energy = 0.7350823582527823 eV
minimum distance =  2.33578221781094 Angstroms
sigma value = 67


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

Energy: 1.0704940754289682
Energy: 1.0606747646299548
Energy: 1.0597090788445054
Energy: 1.001581874841671
Energy: 1.0459241769100076
Energy: 1.0605624212880975
Energy: 1.0956695258456581
Energy: 1.0582623465171934
Energy: 1.0365275874836708
Energy: 1.0554483380155235
Energy: 1.0538770035670277
Energy: 1.0335995265522173
Energy: 1.1419251824002061
Energy: 1.01307409123476
Energy: 1.0207006173508917
Energy: 1.0469507345835831
Energy: 1.0142549067937996
Energy: 1.0206172897692158
Energy: 1.071832797121651
Energy: 1.0224756003709177
Energy: 1.021434813493663
Energy: 1.0521774725313604
Energy: 1.0217969514305323
Energy: 1.0227035340543231
Energy: 1.0729310917158632
Energy: 1.0543016920461243
Energy: 1.0567709414143045
Energy: 1.0490626043081939
Energy: 1.053819103739618
Energy: 1.0368608462754654
Energy: 1.0139157634701434
Energy: 1.034962471624117
Energy: 1.0268293302125697
Energy: 1.0175036505664583
Energy: 1.0334110517081567
Energy: 1.025911789109022
Energy: 1.0776719768703098
Energy: 1.0560577258183172
Energy: 1.0590469819968067
Energy: 1.0562275424545924
Energy: 1.0558114356661017
Energy: 1.0434513260873548
Energy: 1.0749109226329414
Energy: 1.0186085602710682
Energy: 1.0286049498891188
Energy: 1.0563745533992766
Energy: 0.9996242445596675
Energy: 1.0413694822563944
Energy: 1.0551568935097366
Energy: 1.040932808733351
Energy: 1.0561644669918173
Energy: 1.0498558078500049
Energy: 1.057677018214953
Energy: 1.0533418272670718
Energy: 1.052822421170709
Energy: 1.0265766196995918
Energy: 1.0353335209361842
Energy: 1.053113485662379
Energy: 1.0379276993330686
Energy: 1.0414537975633527
Energy: 1.0402529306900932
Energy: 1.0352545764905752
Energy: 1.034916921431081
Energy: 1.005159480689518
Energy: 1.0415359772553072
Energy: 1.0289201818241356
Energy: 1.0001286261134625
Energy: 1.0353718548382942
Energy: 1.0343215350087813
Energy: 1.0002637095647435
Energy: 1.026690449997475
Energy: 1.0030420218856788
Energy: 0.9995819752714533
Energy: 1.036305382261837
Energy: 1.0265715347209206
Energy: 0.9999223293529944
Energy: 1.006769708283554
Energy: 1.0124464212810844
Energy: 1.0373030178241314
Energy: 1.0279837433646146
Energy: 1.025729255789243
Energy: 1.0050070881263724
Energy: 1.042665757748436
Energy: 1.0253819689008614
Energy: 1.041612360169024
Energy: 1.0108512112572943
Energy: 1.0157492462335767
Energy: 1.0422384154678668
Energy: 1.007122360788362
Energy: 0.9987964085198355
Energy: 1.0422729827298745
Energy: 1.0373528916962644
Energy: 1.034578849961791
Energy: 1.033902710403456
Energy: 1.0517487273854025
Energy: 1.0329197989537844
Energy: 1.0307751748002287
Energy: 1.022322958358806
Energy: 1.0229576848320288
Energy: 1.0318021448597414
Energy: 0.996340648881957
Energy: 1.0333153488535414
Energy: 1.029927883761981
Energy: 1.0538489478404358
Energy: 1.055351537761031
Energy: 1.0308894040076375
Energy: 1.0554297560178554
Energy: 1.0458713855136255
Energy: 1.0195946268607599
Energy: 1.0446368519732043
Energy: 1.03044275230387
Energy: 1.0091157674077011
Energy: 1.0441625402857466
Energy: 1.0306618394274518
Energy: 1.04818495888959
Energy: 1.0499104466812903
Energy: 1.0555778833666989
Energy: 1.049150451241243
Energy: 1.060816307533867
Energy: 1.0568348229760385
Energy: 1.0478285720544627
Energy: 1.040040506205015
Energy: 1.0376995550442125
Energy: 1.0482719951086164
Energy: 1.0210129835692674
Energy: 1.055836529783445
Energy: 1.1435014987779837
Energy: 1.0168510130004178
Energy: 1.0378933168829914
Energy: 1.0446093734082698
Energy: 1.0180656853626338
Energy: 1.0372345842930515
Energy: 1.0956097108314744
Energy: 1.0593343073009989
Energy: 1.0617424525892996
Energy: 1.0463140733139988
Energy: 1.053531242927163
Energy: 1.048597143863713

minimum gb energy = 0.996340648881957 eV
minimum distance =  2.34519051489739 Angstroms
sigma value = 33


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

Energy: 1.2673404426877732
Energy: 1.2576872763132123
Energy: 1.24242195331985
Energy: 1.1881868600120977
Energy: 1.257703768646193
Energy: 1.2353625710105511
Energy: 1.2995598855197352
Energy: 1.2381281053808262
Energy: 1.2304480602307108
Energy: 1.2449542940371148
Energy: 1.2398703880871256
Energy: 1.228920053589083
Energy: 1.354634100077804
Energy: 1.2044359315778395
Energy: 1.2039497266619619
Energy: 1.230028337808024
Energy: 1.2051072681386739
Energy: 1.202977838030609
Energy: 1.2735453631278477
Energy: 1.2032390724182584
Energy: 1.2028114825809337
Energy: 1.231072766313431
Energy: 1.2036866362186418
Energy: 1.2029122255183606
Energy: 1.2899081436706823
Energy: 1.239877612180296
Energy: 1.2299659569268249
Energy: 1.2090794764766442
Energy: 1.2359804685564042
Energy: 1.229153445278291
Energy: 1.1938802889545994
Energy: 1.2246408986514883
Energy: 1.2288105081377567
Energy: 1.194742840694029
Energy: 1.2221921498093207
Energy: 1.2024296544640989
Energy: 1.2767059497164337
Energy: 1.2308481871288586
Energy: 1.2284328326659728
Energy: 1.2302348668953258
Energy: 1.2299939202366648
Energy: 1.2231048181749027
Energy: 1.2762138070856124
Energy: 1.2114280963317887
Energy: 1.2244831643739789
Energy: 1.2329000257245437
Energy: 1.214934276480351
Energy: 1.2239704922870884
Energy: 1.221052250725709
Energy: 1.2228907514391492
Energy: 1.2257460983378943
Energy: 1.2223312244286673
Energy: 1.2262896057011472
Energy: 1.2257473669044052
Energy: 1.2215665145466303
Energy: 1.2133045442593886
Energy: 1.2129110760584063
Energy: 1.2229953733545065
Energy: 1.2245158798347577
Energy: 1.2165342406667297
Energy: 1.2190398007560443
Energy: 1.2114981231310602
Energy: 1.2110631687347475
Energy: 1.2158084890515117
Energy: 1.2237356352554887
Energy: 1.2106654640658625
Energy: 1.2233309217516783
Energy: 1.2148282495201639
Energy: 1.2105577406855879
Energy: 1.223185646167406
Energy: 1.1983259757414646
Energy: 1.213192586606447
Energy: 1.2211894866803266
Energy: 1.2250827542813965
Energy: 1.2229520594081906
Energy: 1.2215239703916947
Energy: 1.2235160549519826
Energy: 1.2132465749677002
Energy: 1.207063825982754
Energy: 1.2231734138251307
Energy: 1.223436946051352
Energy: 1.2039283900454592
Energy: 1.2210638502615636
Energy: 1.1970337115638479
Energy: 1.2235712636875267
Energy: 1.226440550193311
Energy: 1.2257750478064955
Energy: 1.2245120761487391
Energy: 1.2219263888834184
Energy: 1.229209622960061
Energy: 1.2417897430604181
Energy: 1.2212934929212564
Energy: 1.2206384461281616
Energy: 1.238233772004399
Energy: 1.2065859022466014
Energy: 1.2404653713023897
Energy: 1.3554145479841497
Energy: 1.1990965410081131
Energy: 1.2173834112156068
Energy: 1.2260346562600026
Energy: 1.2073895117591786
Energy: 1.2207012642214639
Energy: 1.3652058666989402
Energy: 1.2494752033694678
Energy: 1.240677254137085
Energy: 1.2239508103526577
Energy: 1.2445456934504449
Energy: 1.2618740373625603
Energy: 1.1670239318844924
Energy: 1.2246129465758597
Energy: 1.2025954529624066
Energy: 1.1837146492216786
Energy: 1.2277771654803558
Energy: 1.1972894809309877
Energy: 1.3004022909928685
Energy: 1.2405000421468693
Energy: 1.2328099360360956
Energy: 1.1978859334549814
Energy: 1.236851487867286
Energy: 1.2291636554203516
Energy: 1.3569644307715105
Energy: 1.211132596395196
Energy: 1.202063845650988
Energy: 1.2313582039318391
Energy: 1.2029624812206046
Energy: 1.2018336382463912
Energy: 1.266224444248881
Energy: 1.205419637816426
Energy: 1.2041756983163379
Energy: 1.2306556488204006
Energy: 1.2055715261570754
Energy: 1.2032302198263758
Energy: 1.2821990348342565
Energy: 1.2419916462425626
Energy: 1.2304422371387629
Energy: 1.2429551294694707
Energy: 1.2389272289892652
Energy: 1.229150020773866
Energy: 1.1894559796510777
Energy: 1.2244330608606016
Energy: 1.2261964271012116
Energy: 1.1948914446640846
Energy: 1.2236688263085995
Energy: 1.2007568080225741
Energy: 1.2767135457152954
Energy: 1.2350523772075073
Energy: 1.232907143689619
Energy: 1.2309493372408657
Energy: 1.2250814512135917
Energy: 1.2399261717660788
Energy: 1.2753781790991112
Energy: 1.2116730626179266
Energy: 1.2238009999553496
Energy: 1.233285041457675
Energy: 1.2144414212030001
Energy: 1.2247971131848623
Energy: 1.2187339970101418
Energy: 1.2228053734579738
Energy: 1.2249061364351155
Energy: 1.2223417506465555
Energy: 1.2192338636759494
Energy: 1.2246860348559443
Energy: 1.2221413130571994
Energy: 1.2139477216080763
Energy: 1.2141829337833192
Energy: 1.2226595420463053
Energy: 1.2252972282747163
Energy: 1.2143626397648974
Energy: 1.2181038993857933
Energy: 1.2296342727435166
Energy: 1.2112049928305675
Energy: 1.2140239197919565
Energy: 1.2250105203273347
Energy: 1.210516486712561
Energy: 1.2245085211821471
Energy: 1.213100321729253
Energy: 1.2114339521706832
Energy: 1.2240836200468932
Energy: 1.1991461441618227
Energy: 1.2103081301976208
Energy: 1.2222526234856006
Energy: 1.2255206945491095
Energy: 1.2140866565085633
Energy: 1.222299206879671
Energy: 1.223813220970873
Energy: 1.2131231460505478
Energy: 1.2080989595770693
Energy: 1.2226636745362347
Energy: 1.2240305684730177
Energy: 1.2054975981714897
Energy: 1.2228300805786918
Energy: 1.2062802789439013
Energy: 1.2240384470816394
Energy: 1.2254017664762118
Energy: 1.2245780048763466
Energy: 1.2162625463549235
Energy: 1.2237199614605672
Energy: 1.228299988251723
Energy: 1.2391083748705505
Energy: 1.2210415162886068
Energy: 1.2393576617404665
Energy: 1.240301589500413
Energy: 1.2093578448287492
Energy: 1.2393454763210188
Energy: 1.3547448006604046
Energy: 1.1992614420627359
Energy: 1.2157851974202498
Energy: 1.2257137582781072
Energy: 1.190146256015484
Energy: 1.2226929981854329
Energy: 1.3648819881321597
Energy: 1.2456303926623977
Energy: 1.2443179067088548
Energy: 1.22415163550738
Energy: 1.2461096658250812
Energy: 1.2390736513182465
Energy: 1.166272032093159
Energy: 1.227106436622836
Energy: 1.2033519920782223
Energy: 1.183141387562718
Energy: 1.228039729149406
Energy: 1.1955681181211262

minimum gb energy = 1.166272032093159 eV
minimum distance =  2.37380329574847 Angstroms
sigma value = 41


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

Energy: 1.5296373698353578
Energy: 1.5645028149778728
Energy: 1.5724250363291286
Energy: 1.498104498369803
Energy: 1.5151179280249858
Energy: 1.5769235603887115
Energy: 1.5607884138335313
Energy: 1.5113752167211412
Energy: 1.5141170109020716
Energy: 1.5233420081433922
Energy: 1.5093160347376453
Energy: 1.4928585210890437
Energy: 1.656065153897833
Energy: 1.4748574761474451
Energy: 1.4725550146046047
Energy: 1.5178081347176542
Energy: 1.4773865324599773
Energy: 1.4986258972351367
Energy: 1.512721029773052
Energy: 1.4745606997997993
Energy: 1.4734494172000225
Energy: 1.513247540735979
Energy: 1.4746312335247211
Energy: 1.5218278916723658
Energy: 1.5194979333018725
Energy: 1.506156248771715
Energy: 1.5135679515457459
Energy: 1.5219601961548057
Energy: 1.5079096235337481
Energy: 1.4923855578024747
Energy: 1.4787444352651276
Energy: 1.5066437876601941
Energy: 1.4906918627627823
Energy: 1.472975195895057
Energy: 1.5062944611826468
Energy: 1.490282093101475
Energy: 1.5868518710843031
Energy: 1.5207147141147834
Energy: 1.5102129411351226
Energy: 1.4941914022666278
Energy: 1.5204461479777263
Energy: 1.4863015628999243
Energy: 1.583755789696501
Energy: 1.49297332320371
Energy: 1.4914767458100178
Energy: 1.4940533074999751
Energy: 1.4903126755872549
Energy: 1.491993648040538
Energy: 1.4768482906029372
Energy: 1.492451600399613
Energy: 1.488023497718758
Energy: 1.481470243350573
Energy: 1.4953159170737438
Energy: 1.4872343949420026
Energy: 1.500220434972463
Energy: 1.492660081746377
Energy: 1.4889724244112434
Energy: 1.4955130283947424
Energy: 1.4990984575296256
Energy: 1.488264038331389
Energy: 1.5024881953675615
Energy: 1.5135561086007496
Energy: 1.5248881881633654
Energy: 1.5049769010273866
Energy: 1.5064697226368056
Energy: 1.5207203354278642
Energy: 1.7007068308471367
Energy: 1.4810723734097744
Energy: 1.4842263755396088
Energy: 1.5082896165320812
Energy: 1.4840279708213389
Energy: 1.481625868827637
Energy: 1.7054781071666445
Energy: 1.518540505569154
Energy: 1.521105169017361
Energy: 1.512156448951457
Energy: 1.5199915349562112
Energy: 1.4915236068254738
Energy: 1.4683576845954334
Energy: 1.50862065457605
Energy: 1.4828097277749333
Energy: 1.466477750616346
Energy: 1.5062103431505312
Energy: 1.480850529557518

minimum gb energy = 1.466477750616346 eV
minimum distance =  2.36655250026808 Angstroms
sigma value = 11


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

Energy: 1.8043343839133088
Energy: 1.8438991026170828
Energy: 1.8297789882284492
Energy: 1.8601046687410616
Energy: 1.8402420143984688
Energy: 1.8372651646279023
Energy: 1.9522580827612737
Energy: 1.7214663989130146
Energy: 1.7146156895144835
Energy: 1.7210201336857804
Energy: 1.7288340578044812
Energy: 1.7201465444728599
Energy: 2.034142881242687
Energy: 1.6990067000976377
Energy: 1.6980285768888146
Energy: 1.726255078500861
Energy: 1.7004119993486546
Energy: 1.725166596264129
Energy: 1.7557461526451918
Energy: 1.6989322845380566
Energy: 1.723116949740962
Energy: 1.726179334352779
Energy: 1.6993738055718883
Energy: 1.7215044945317861
Energy: 1.7512192841543168
Energy: 1.715615162718743
Energy: 1.7118452316603057
Energy: 1.7212866062955974
Energy: 1.710440892272308
Energy: 1.7111044093599226
Energy: 1.7544480138510696
Energy: 1.6938031383528331
Energy: 1.6933302112923803
Energy: 1.7125802156729186
Energy: 1.6956308730275522
Energy: 1.6934378946209245
Energy: 1.7666607802851564
Energy: 1.694689815257307
Energy: 1.6935877756331021
Energy: 1.6952094337416976
Energy: 1.688449900086048
Energy: 1.6930820696790407
Energy: 1.8866728779642195
Energy: 1.7101213337278236
Energy: 1.7120957665346046
Energy: 1.7111624757128292
Energy: 1.718542433589822
Energy: 1.71199755216941
Energy: 1.739966272487201
Energy: 1.7248523027909772
Energy: 1.7245917632176948
Energy: 1.6925253217541398
Energy: 1.7257229624054413
Energy: 1.7058977578827945
Energy: 1.7396029728467506
Energy: 1.7248033373140674
Energy: 1.7241355924298472
Energy: 1.6913082477810073
Energy: 1.7257490391685988
Energy: 1.7057128840285918
Energy: 1.829668149060385
Energy: 1.7240381452926166
Energy: 1.7188853155419002
Energy: 1.7156089980040492
Energy: 1.7387213103921864
Energy: 1.720460762634492
Energy: 1.7769589484431247
Energy: 1.694388290753371
Energy: 1.6950476487303074
Energy: 1.7503700443581673
Energy: 1.686683681375008
Energy: 1.6942559237558699
Energy: 1.7643159178072862
Energy: 1.7059280308228906
Energy: 1.7065720874245496
Energy: 1.7378931087817122
Energy: 1.708220238164574
Energy: 1.7196254302246843
Energy: 1.7518073364913593
Energy: 1.7073852147767055
Energy: 1.7063268364293087
Energy: 1.7008978480163286
Energy: 1.705523242352341
Energy: 1.706405762538621
Energy: 1.764798525862022
Energy: 1.7079777900216293
Energy: 1.7055982529626936
Energy: 1.71133124750206
Energy: 1.707222573872732
Energy: 1.7065823660151054
Energy: 1.8588330352210178
Energy: 1.7074871295931817
Energy: 1.70649372811266
Energy: 1.7060913503575073
Energy: 1.705296421215272
Energy: 1.7079498332279495
Energy: 1.7626223155229335
Energy: 1.7062559538494246
Energy: 1.7075618681992393
Energy: 1.7153988745770774
Energy: 1.7061700398121338
Energy: 1.7065735405790348
Energy: 1.7479947565230864
Energy: 1.7730436598402837
Energy: 1.7400473797554208
Energy: 1.7082953182943093
Energy: 1.7419218428728738
Energy: 1.686400890482412
Energy: 1.7482627001955127
Energy: 1.7059195586751845
Energy: 1.7077470335599783
Energy: 1.7558963099126443
Energy: 1.70617415163734
Energy: 1.706065145538624
Energy: 1.7729994235080373
Energy: 1.7000033120910796
Energy: 1.6986556403632238
Energy: 1.751420830086178
Energy: 1.7011056001430038
Energy: 1.7355233712763216
Energy: 1.9249914292073262
Energy: 1.6990383760154408
Energy: 1.728866003806516
Energy: 1.7475801031871794
Energy: 1.6992027141050796
Energy: 1.7276088050101053
Energy: 1.8085482312092862
Energy: 1.7299376966226911
Energy: 1.729148741684929
Energy: 1.7250120214759195
Energy: 1.737124241399371
Energy: 1.733977164885467
Energy: 1.765734989179362
Energy: 1.7530531245105268
Energy: 1.719299296416794
Energy: 1.6934458141598039
Energy: 1.7398931918507772
Energy: 1.7060730595675364
Energy: 1.9447739703335933
Energy: 1.705519770245398
Energy: 1.7061054455468383
Energy: 1.7063891929930204
Energy: 1.7537719727271412
Energy: 1.7060845850993969
Energy: 1.8297418589385746
Energy: 1.7069458287628372
Energy: 1.7057149775517668
Energy: 1.772680973984125
Energy: 1.7056704312649316
Energy: 1.7025442256871863
Energy: 1.7532537521218938
Energy: 1.7071758163060913
Energy: 1.7085763573086858
Energy: 1.7069428343888082
Energy: 1.7062151442575866
Energy: 1.7072377709667772
Energy: 1.754356724991621
Energy: 1.705882282105013
Energy: 1.7086160848191032
Energy: 1.7062654162729
Energy: 1.7054663742358325
Energy: 1.706295689972246
Energy: 1.7502198639744715
Energy: 1.7057822932851796
Energy: 1.7083615982141647
Energy: 1.7065151181885636
Energy: 1.7072250644428983
Energy: 1.7056169827965224
Energy: 1.761052563431271
Energy: 1.6984067118396071
Energy: 1.6972868053421841
Energy: 1.743227972819872
Energy: 1.700417171504729
Energy: 1.696664037362632
Energy: 2.0416990974708344
Energy: 1.7583990899422761
Energy: 1.706285672820105
Energy: 1.7072222594282975
Energy: 1.7374971540673922
Energy: 1.7044817825868304
Energy: 1.7653997460967399
Energy: 1.734333354321424
Energy: 1.711200137985683
Energy: 1.6914039037785111
Energy: 1.7212440988679296
Energy: 1.7034187359764996

minimum gb energy = 1.686400890482412 eV
minimum distance =  2.33906587677467 Angstroms
sigma value = 57


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

Energy: 2.5807573042548797
Energy: 1.8872976203819698
Energy: 1.8871678487438575
Energy: 1.883593730028787
Energy: 1.8890269376021107
Energy: 1.8870302225031108
Energy: 1.8903229803655042
Energy: 1.824569373454763
Energy: 1.8252312219533575
Energy: 1.8277141066338292
Energy: 1.8264202346776317
Energy: 1.8255482008970076
Energy: 2.0716848929670846
Energy: 1.8033727102051156
Energy: 1.8028552448707056
Energy: 1.8871127743884708
Energy: 1.8047451339340281
Energy: 1.828628554108228
Energy: 1.903022911229579
Energy: 1.8245049926605788
Energy: 1.8223564701798791
Energy: 1.8258890910017262
Energy: 1.8077474447321782
Energy: 1.8235306456719291
Energy: 1.8737538819725394
Energy: 1.8279565768318327
Energy: 1.8235141626242777
Energy: 1.825652003458462
Energy: 1.8239551483790999
Energy: 1.8224139102440282
Energy: 1.894370304645798
Energy: 1.8244056684711583
Energy: 1.823176982915295
Energy: 1.8255632120714989
Energy: 1.8269247510352284
Energy: 1.8224265315883288
Energy: 1.9066659613028256
Energy: 1.805080957633705
Energy: 1.805216475002783
Energy: 1.8285579771435025
Energy: 1.807323502221766
Energy: 1.821980048395108
Energy: 2.0755085266375772
Energy: 1.8278575354429787
Energy: 1.8263463036888663
Energy: 1.8281955640122989
Energy: 1.8248531581119822
Energy: 1.825503440545281
Energy: 1.9134115451755749
Energy: 1.8274887082127294
Energy: 1.808136056994632
Energy: 1.8121239919180234
Energy: 1.8258737962639335
Energy: 1.8084093664199523
Energy: 1.913237462602434
Energy: 1.8266512735090956
Energy: 1.8079392797401959
Energy: 1.8120936121222715
Energy: 1.8242951364404731
Energy: 1.8082334890541591
Energy: 2.0660323826450897
Energy: 1.8248768027680253
Energy: 1.8229891499387487
Energy: 1.8891345226754563
Energy: 1.8257682094233736
Energy: 1.8216030189828125
Energy: 1.919635474188402
Energy: 1.8031385319740187
Energy: 1.8023559677012526
Energy: 1.8226456229798584
Energy: 1.8047800751247332
Energy: 1.829125041737655
Energy: 1.8750397344372869
Energy: 1.8289024286247333
Energy: 1.8248037710273857
Energy: 1.8244988672853641
Energy: 1.8249947039777632
Energy: 1.8233695563066172
Energy: 1.8994469652690165
Energy: 1.8243594926044449
Energy: 1.8234227226726691
Energy: 1.8259569074636062
Energy: 1.8267100349066934
Energy: 1.8225648450524983
Energy: 1.867754517991819
Energy: 1.8070632932427242
Energy: 1.821958778636495
Energy: 1.8263978395613252
Energy: 1.8056049379164454
Energy: 1.8216839803513047
Energy: 2.090692310898696
Energy: 1.8070956105132912
Energy: 1.8064806595021552
Energy: 1.8264007533336812
Energy: 1.8113525249030005
Energy: 1.821909769488202
Energy: 1.8885569146558319
Energy: 1.8252366514376983
Energy: 1.8250927451955916
Energy: 1.8127792603679773
Energy: 1.8265144033161227
Energy: 1.826021124562875

minimum gb energy = 1.8023559677012526 eV
minimum distance =  2.34049123176688 Angstroms
sigma value = 9


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

Energy: 2.0457500882377917
Energy: 1.9439481855756515
Energy: 1.9018082775475684
Energy: 1.92312831263158
Energy: 1.9265187783269593
Energy: 1.901195461396469
Energy: 2.1049927821101
Energy: 1.863212062348902
Energy: 1.8641736752008726
Energy: 1.8624900635700343
Energy: 1.8652023822654284
Energy: 1.873919868106564
Energy: 2.0176461075235346
Energy: 1.925748735737026
Energy: 1.8779222578672699
Energy: 1.8980154826034916
Energy: 1.9232206970646661
Energy: 1.876873142388676
Energy: 1.8622701203247
Energy: 1.8837049054760149
Energy: 1.872738228766661
Energy: 1.8836243812474784
Energy: 1.8441964748737942
Energy: 1.870476433388884
Energy: 1.8621951101415117
Energy: 1.833390585877443
Energy: 1.8341794038581383
Energy: 1.8627914452604677
Energy: 1.8325618007352829
Energy: 1.8356190600697824
Energy: 1.8594729459849368
Energy: 1.8314328573074734
Energy: 1.8298028344800614
Energy: 1.8399605948715694
Energy: 1.8364698661700751
Energy: 1.8296358497033913
Energy: 1.8888124481340802
Energy: 1.939989075078643
Energy: 1.8884013000102333
Energy: 1.8245878747652813
Energy: 1.9458229719829372
Energy: 1.88893840667998
Energy: 2.044251904600049
Energy: 1.834628235850455
Energy: 1.8317401057513667
Energy: 1.830760601790714
Energy: 1.8326117085251628
Energy: 1.8312733227482116
Energy: 2.00130305736974
Energy: 1.8306095732163936
Energy: 1.8304415124246511
Energy: 1.896818556280301
Energy: 1.8320444745926674
Energy: 1.873343098679904
Energy: 1.9979560135785441
Energy: 1.8309451182112728
Energy: 1.8304103599932136
Energy: 1.8971097428914176
Energy: 1.8330316312918142
Energy: 1.8306584168421587
Energy: 2.047627469268408
Energy: 1.8478396909854653
Energy: 1.8465023521229866
Energy: 1.8310746735917411
Energy: 1.8330507056871117
Energy: 1.8449568170840436
Energy: 1.9859164835277368
Energy: 1.8749947776784632
Energy: 1.8732667926824018
Energy: 1.865363021909074
Energy: 1.8712758668696623
Energy: 1.8740912693900922
Energy: 1.9792532965835559
Energy: 1.877509890802541
Energy: 1.8772509514107998
Energy: 1.9501476048460602
Energy: 1.8441900990922357
Energy: 1.9196197106737052
Energy: 1.9834727003917487
Energy: 1.8786240741760116
Energy: 1.8766144881386468
Energy: 1.8947418268860259
Energy: 1.8781727041914278
Energy: 1.869891222216285
Energy: 1.9833801103132715
Energy: 1.8276191320546553
Energy: 1.8277627258971825
Energy: 1.8711655428474365
Energy: 1.8296664072675137
Energy: 1.8622513323134233
Energy: 1.9543458008222316
Energy: 1.8895088954966113
Energy: 1.8268667652878683
Energy: 1.848017961244451
Energy: 1.8932733663030097
Energy: 1.8271045386098002
Energy: 1.9348645207545327
Energy: 1.8725661723343578
Energy: 1.8711422274594847
Energy: 1.8965782272845768
Energy: 1.8758702452885034
Energy: 1.8736019562142274
Energy: 1.9302410585555452
Energy: 1.845864274903006
Energy: 1.8487475813959957
Energy: 1.9210700963263676
Energy: 1.8643985996794217
Energy: 1.9173489356210738
Energy: 1.9660369852580823
Energy: 1.9288701253394815
Energy: 1.925896216322434
Energy: 1.9250917671994476
Energy: 1.8899260754361444
Energy: 1.920111872210436
Energy: 1.9632899355498425
Energy: 1.9272130143651702
Energy: 1.9229124334127572
Energy: 1.9231348287470824
Energy: 1.931583240839056
Energy: 1.8770852153695132
Energy: 1.9865951672091202
Energy: 1.8635532428637929
Energy: 1.8671983745270684
Energy: 1.8292367433809615
Energy: 1.866082518952638
Energy: 1.8678425308431226

minimum gb energy = 1.8245878747652813 eV
minimum distance =  2.31169285338487 Angstroms
sigma value = 27


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

Energy: 3.119169049187629
Energy: 1.7874835613879565
Energy: 1.786821097212026
Energy: 1.8453849018313482
Energy: 1.8371384215409998
Energy: 1.845603215780393
Energy: 2.028942830620261
Energy: 1.8005075411358007
Energy: 1.7985962368218784
Energy: 1.838125335028322
Energy: 1.8020042090985549
Energy: 1.7983096746553413
Energy: 1.9193634951719294
Energy: 1.7976061416750788
Energy: 1.7972144951663582
Energy: 1.8775272231811044
Energy: 1.8430374484410326
Energy: 1.796985323229894
Energy: 1.9278430608854644
Energy: 1.7976493427487268
Energy: 1.796930920739315
Energy: 1.8560593211831413
Energy: 1.7989824927017208
Energy: 1.7969273326116935
Energy: 1.87269348727618
Energy: 1.8010748874186175
Energy: 1.7992914919084675
Energy: 1.851594873606731
Energy: 1.805046043354593
Energy: 1.7993839320448763
Energy: 1.9040719185819392
Energy: 1.8507895388550277
Energy: 1.8476602980182162
Energy: 1.860214944964819
Energy: 1.846777107252818
Energy: 1.8468108758858763
Energy: 1.8801363551865016
Energy: 1.8420083166110375
Energy: 1.8411170244030481
Energy: 1.8423157307285734
Energy: 1.8437806040713167
Energy: 1.8407631130829536
Energy: 1.9701459089420916
Energy: 1.8502935057085017
Energy: 1.8464754921907154
Energy: 1.8544287045480528
Energy: 1.8537874011212558
Energy: 1.8458233405345557
Energy: 1.9694856325465047
Energy: 1.8594980686734695
Energy: 1.857157805778284
Energy: 1.8430105199974574
Energy: 1.8506912296726286
Energy: 1.8573274314457127
Energy: 1.9681459268280905
Energy: 1.8159373450386538
Energy: 1.815716485471399
Energy: 1.8572011320991337
Energy: 1.8180744427167135
Energy: 1.8551532722515551
Energy: 1.9694846300798354
Energy: 1.8544663460080728
Energy: 1.8509552454604519
Energy: 1.8530721259103011
Energy: 1.8379311373435543
Energy: 1.846386399732396
Energy: 1.9897706041988583
Energy: 1.8387989179353363
Energy: 1.8397141710430296
Energy: 1.8404204975905019
Energy: 1.8389929720177933
Energy: 1.840639886988997
Energy: 1.9847728442253603
Energy: 1.8404888417937157
Energy: 1.839565186126531
Energy: 1.8394003739579452
Energy: 1.841574174910421
Energy: 1.838924854440633
Energy: 1.9896935505766258
Energy: 1.8436944178822556
Energy: 1.841796298619627
Energy: 1.8384537828191017
Energy: 1.8468541117056911
Energy: 1.8422548527828633
Energy: 1.9865871620640319
Energy: 1.8258843014593886
Energy: 1.825942514552914
Energy: 1.8403927509300553
Energy: 1.8276183806964852
Energy: 1.82657825892138
Energy: 1.9335523574039548
Energy: 1.8612987224397906
Energy: 1.8607663614926417
Energy: 1.864336210214824
Energy: 1.8533383100631398
Energy: 1.8611552670960427
Energy: 1.8718404606494525
Energy: 1.8238898414658427
Energy: 1.8025606609282783
Energy: 1.8652358469579524
Energy: 1.8379963687668996
Energy: 1.8019552008801942
Energy: 1.9074663970578014
Energy: 1.8457417734965682
Energy: 1.8451698462055575
Energy: 1.8533013074230238
Energy: 1.8473416511990919
Energy: 1.845047725724506
Energy: 1.9172608038397614
Energy: 1.8477954835160384
Energy: 1.8466777702829993
Energy: 1.847879085292157
Energy: 1.8447037632104724
Energy: 1.847407388166812
Energy: 1.9166642603502462
Energy: 1.8480346300535981
Energy: 1.8470410192693432
Energy: 1.8483470486583684
Energy: 1.8446080201870119
Energy: 1.847612261397636
Energy: 1.9173144350047229
Energy: 1.845504076650426
Energy: 1.8449258816364982
Energy: 1.8527745911719942
Energy: 1.8470978320177052
Energy: 1.8445501262472768
Energy: 1.871014157842862
Energy: 1.8291864122396573
Energy: 1.827415616986388
Energy: 1.8554655780871079
Energy: 1.8324113114472742
Energy: 1.8268244950129704
Energy: 1.9167403141667714
Energy: 1.826273331379784
Energy: 1.8257143537559286
Energy: 1.8522543051242009
Energy: 1.868096415501198
Energy: 1.8253700883576112
Energy: 1.9162798534829097
Energy: 1.8472244520282548
Energy: 1.8448427694202676
Energy: 1.8635432655667878
Energy: 1.8822910692257375
Energy: 1.8455912338375855
Energy: 2.0265599271328814
Energy: 1.8335346697978727
Energy: 1.7983613291484408
Energy: 1.839977177903816
Energy: 1.8021312968471503
Energy: 1.8437771322358554

minimum gb energy = 1.786821097212026 eV
minimum distance =  2.30351004418549 Angstroms
sigma value = 19


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

Energy: 1.9383694697796243
Energy: 1.7651188700306375
Energy: 1.823962889103
Energy: 1.7853987688067177
Energy: 1.744483781695406
Energy: 1.8248925108751093
Energy: 1.9506519416545478
Energy: 1.810004013610445
Energy: 1.8086426827025026
Energy: 1.805347925986093
Energy: 1.758558033469748
Energy: 1.8090852228775547
Energy: 1.9189829052488176
Energy: 1.8011697448472923
Energy: 1.793090051306135
Energy: 1.7666971524852955
Energy: 1.7906191889767142
Energy: 1.7919592951378456
Energy: 1.8769411467570623
Energy: 1.807624794687269
Energy: 1.803507907243606
Energy: 1.80396002669877
Energy: 1.8077415368208498
Energy: 1.8028132643915977
Energy: 1.8720830443252134
Energy: 1.7647990022401012
Energy: 1.7812579444586518
Energy: 1.8067388703438618
Energy: 1.772686616023234
Energy: 1.7837055697076005
Energy: 1.8769897600110772
Energy: 1.8085182299128142
Energy: 1.8057240072621064
Energy: 1.7134799247484027
Energy: 1.8058740331132717
Energy: 1.8052574021656138
Energy: 1.8758689780521358
Energy: 1.7861132440917113
Energy: 1.7922400004520276
Energy: 1.779600919926168
Energy: 1.7892542911141363
Energy: 1.778758405157939
Energy: 1.8674327227007257
Energy: 1.7868656786183124
Energy: 1.8089214774920497
Energy: 1.742811505399419
Energy: 1.7877779923349035
Energy: 1.8091261276810955
Energy: 1.8545823277851272
Energy: 1.7901877497752963
Energy: 1.7891350509759096
Energy: 1.7170905068091367
Energy: 1.7931786908681913
Energy: 1.7885281518078544
Energy: 1.8501758750434616
Energy: 1.7923691307739196
Energy: 1.7890686351787806
Energy: 1.7355247647425058
Energy: 1.7906880946948118
Energy: 1.788305277371127
Energy: 1.868881520792234
Energy: 1.7669165805413167
Energy: 1.7663775753768924
Energy: 1.792456295996405
Energy: 1.7725273406706472
Energy: 1.7726005459863006
Energy: 1.8930861919368882
Energy: 1.7948593032134994
Energy: 1.7915716135841426
Energy: 1.7918516078242979
Energy: 1.7820621132112218
Energy: 1.7909887679064391
Energy: 1.8911973733053318
Energy: 1.7472074117271736
Energy: 1.7793033826766915
Energy: 1.7963999657340106
Energy: 1.748155503250406
Energy: 1.793082869473433
Energy: 1.9554821084948308
Energy: 1.7916490082683054
Energy: 1.79172032335759
Energy: 1.7707965816472162
Energy: 1.7109769742047711
Energy: 1.7918988165636471
Energy: 1.8915786949612896
Energy: 1.7582324991574598
Energy: 1.7566305929254822
Energy: 1.7753588211377864
Energy: 1.7713152801669736
Energy: 1.755776695198237
Energy: 1.8893753917750093
Energy: 1.7797971995451622
Energy: 1.7762041919662894
Energy: 1.7735123096661336
Energy: 1.7735161568646596
Energy: 1.775301821794929
Energy: 1.8695102080838222
Energy: 1.7886026392480647
Energy: 1.799509276213399
Energy: 1.7710835134779663
Energy: 1.7803930431220343
Energy: 1.7882692416533486
Energy: 1.9149797611047503
Energy: 1.774681587532961
Energy: 1.7775791044966018
Energy: 1.758143948434696
Energy: 1.7507132242777426
Energy: 1.7780841524766757
Energy: 1.8866542322066768
Energy: 1.7880266661029118
Energy: 1.7881035364066633
Energy: 1.784200159451601
Energy: 1.7989215065318518
Energy: 1.750779883954772
Energy: 1.8273970791324274
Energy: 1.7879734986507962
Energy: 1.7880516282699006
Energy: 1.7513577969850744
Energy: 1.7879869000695083
Energy: 1.7574193370086342
Energy: 1.8324639283493014
Energy: 1.7731993422470576
Energy: 1.774117157795389
Energy: 1.773719522010554
Energy: 1.7781738162645997
Energy: 1.7743499208136513
Energy: 1.8326733765525318
Energy: 1.7956148298831478
Energy: 1.7927860034643162
Energy: 1.803063956670477
Energy: 1.7912819564665399
Energy: 1.793168293666552
Energy: 1.834342566772586
Energy: 1.7687738198161336
Energy: 1.7714350359830517
Energy: 1.7108546994822238
Energy: 1.7694706929859687
Energy: 1.7160122291995479
Energy: 1.8965171419167821
Energy: 1.7685655375142442
Energy: 1.7724707256897125
Energy: 1.709933978262389
Energy: 1.7693372028787107
Energy: 1.7727827767561017
Energy: 1.897786722323321
Energy: 1.7922992019772097
Energy: 1.7964621463895636
Energy: 1.8001942746420803
Energy: 1.7906635374051025
Energy: 1.796230144866225
Energy: 1.8760096954955958
Energy: 1.7859093649635103
Energy: 1.7895154209853519
Energy: 1.8119019376813519
Energy: 1.78587858851481
Energy: 1.7923944202922542
Energy: 1.895690292625338
Energy: 1.7904694100834324
Energy: 1.7921683069735808
Energy: 1.7888298929421866
Energy: 1.790982769326064
Energy: 1.7925163913826578
Energy: 1.9189182130114542
Energy: 1.8160816901741987
Energy: 1.8126523861788157
Energy: 1.806122729203881
Energy: 1.813011865779671
Energy: 1.8109890807320608
Energy: 1.9125994746841737
Energy: 1.7918468590540464
Energy: 1.791165100289871
Energy: 1.7688707685756107
Energy: 1.743091905620901
Energy: 1.7699539184462314

minimum gb energy = 1.709933978262389 eV
minimum distance =  2.31356780597369 Angstroms
sigma value = 101


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

Energy: 2.8528923032648734
Energy: 1.7034065882046565
Energy: 1.7025186963202714
Energy: 1.671928749142281
Energy: 1.7025125049242977
Energy: 1.671103613616665
Energy: 1.9181420858894689
Energy: 1.706537609755342
Energy: 1.7045089395573032
Energy: 1.7123568137107192
Energy: 1.7011850595231344
Energy: 1.7039782486600055
Energy: 1.8684628197925863
Energy: 1.7029438277812887
Energy: 1.6959634212454848
Energy: 1.7032095869568638
Energy: 1.7034425518915648
Energy: 1.6935576389047367
Energy: 1.8120087982260826
Energy: 1.7022853265028675
Energy: 1.69852180149432
Energy: 1.7030480663152996
Energy: 1.7087506893911697
Energy: 1.6980175488243894
Energy: 1.78837862521331
Energy: 1.7001232114829024
Energy: 1.701682291959495
Energy: 1.6997010620188973
Energy: 1.7075435658210025
Energy: 1.707842871195598
Energy: 1.8062590269744456
Energy: 1.7036387190908295
Energy: 1.7004844868413802
Energy: 1.700795225715649
Energy: 1.7090339687945293
Energy: 1.699997531327578
Energy: 1.7652943570082074
Energy: 1.6977553835831916
Energy: 1.6905695235327707
Energy: 1.7213281382928256
Energy: 1.6973918020186212
Energy: 1.6887641505501154
Energy: 1.7931312534384336
Energy: 1.7063955560537853
Energy: 1.7061954172148328
Energy: 1.6890578492924064
Energy: 1.705458408056728
Energy: 1.706087875151851
Energy: 1.7751879514111297
Energy: 1.7027373701470494
Energy: 1.6979052025132022
Energy: 1.7029707274957409
Energy: 1.6934343282167623
Energy: 1.697046383707625
Energy: 1.780055342278797
Energy: 1.7029322893025047
Energy: 1.699611328999258
Energy: 1.7029508387219505
Energy: 1.708021142913336
Energy: 1.6990248894326196
Energy: 1.8124050453985028
Energy: 1.6725228551284237
Energy: 1.672540930217893
Energy: 1.6940021477342293
Energy: 1.6994646909925697
Energy: 1.680577457275283
Energy: 1.8410359379205072
Energy: 1.7047486046149503
Energy: 1.7012618021085926
Energy: 1.7026394659794069
Energy: 1.6989278688345524
Energy: 1.7011339580368607
Energy: 1.802243810563585
Energy: 1.707436214919167
Energy: 1.6970269575946184
Energy: 1.7015267881254275
Energy: 1.7081958046289791
Energy: 1.6942410120896378
Energy: 1.7998472195091577
Energy: 1.7051437883794314
Energy: 1.7044752490157682
Energy: 1.6959613273610605
Energy: 1.7233294219365316
Energy: 1.7055761430156287
Energy: 1.8402275980085863
Energy: 1.7121181521835103
Energy: 1.6908936441466307
Energy: 1.7037408012480388
Energy: 1.7143369238239945
Energy: 1.7023044532844926
Energy: 1.8686813527087538
Energy: 1.7024645438948105
Energy: 1.6992311072467265
Energy: 1.7025909907393315
Energy: 1.701137974112379
Energy: 1.698515941614671
Energy: 1.800547445125585
Energy: 1.7137565306139588
Energy: 1.6974065869759356
Energy: 1.6942078262798126
Energy: 1.7116408987540206
Energy: 1.694299817930383
Energy: 1.9173935705314817
Energy: 1.6922170471693943
Energy: 1.7052702733110918
Energy: 1.6999783072139747
Energy: 1.693013238992916
Energy: 1.7002653997822692
Energy: 1.8679687988084062
Energy: 1.708084348105626
Energy: 1.7055725402915938
Energy: 1.6936055843968443
Energy: 1.7051285668567477
Energy: 1.7057143580427607
Energy: 1.8084069572585328
Energy: 1.707086296164377
Energy: 1.7038363455401344
Energy: 1.7046726001388788
Energy: 1.7042705852421904
Energy: 1.7032529129901701
Energy: 1.7886810324997744
Energy: 1.6922447469192843
Energy: 1.6925768925399087
Energy: 1.7027084990964834
Energy: 1.6933052629698462
Energy: 1.6963467851579157
Energy: 1.8047160093893861
Energy: 1.703682543835812
Energy: 1.7005193047423541
Energy: 1.7023486206069396
Energy: 1.7096082111703992
Energy: 1.7001025281470763
Energy: 1.8298770118942431
Energy: 1.694249867455274
Energy: 1.6934117675118647
Energy: 1.689019626540861
Energy: 1.6931189182350184
Energy: 1.692653044395259
Energy: 1.8133885570102408
Energy: 1.6968604658458395
Energy: 1.6979588331217457
Energy: 1.6941024037865515
Energy: 1.69751144319544
Energy: 1.706929411134488
Energy: 1.7741286655559778
Energy: 1.7065104094892198
Energy: 1.7033173716991363
Energy: 1.711553345885414
Energy: 1.7120231732095417
Energy: 1.7031399726613121
Energy: 1.775033819308692
Energy: 1.70606476706277
Energy: 1.7027510508881962
Energy: 1.7031778359205936
Energy: 1.7117579426018152
Energy: 1.7026567407387736
Energy: 1.811061950326808
Energy: 1.6997883993949918
Energy: 1.6975044998418551
Energy: 1.6923605224573448
Energy: 1.7007573575862036
Energy: 1.6984813550018758
Energy: 1.8403774250001277
Energy: 1.7029974191968855
Energy: 1.7007778734945054
Energy: 1.7041206332072438
Energy: 1.7052220145538335
Energy: 1.705354644499118
Energy: 1.8035544325435287
Energy: 1.7036577062140843
Energy: 1.7035769576924655
Energy: 1.6995573429298483
Energy: 1.7045684463720359
Energy: 1.703908575952642
Energy: 1.8064667365191736
Energy: 1.6971915184798019
Energy: 1.6959713552142996
Energy: 1.696003243712985
Energy: 1.7011624657392315
Energy: 1.6966716095163124
Energy: 1.8389051069276439
Energy: 1.7064585625095778
Energy: 1.7036068672116005
Energy: 1.7017589243743148
Energy: 1.7069976406532557
Energy: 1.7035163728949017
Energy: 1.8679780998985795
Energy: 1.70602627715613
Energy: 1.7023324335409191
Energy: 1.7134676640947428
Energy: 1.709342822378889
Energy: 1.7010198085277033
Energy: 1.8017782572585246
Energy: 1.701920645081116
Energy: 1.7301675474075893
Energy: 1.6969052282377823
Energy: 1.7014712785880195
Energy: 1.6982569013559072

minimum gb energy = 1.671103613616665 eV
minimum distance =  2.32029984807769 Angstroms
sigma value = 33


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

Energy: 0.018184065657612228
Energy: 0.019198897880583595
Energy: 0.019240684277166086
Energy: 0.02071590781756539
Energy: 2.3088829424108552
Energy: 0.01900224465875813
Energy: 0.019238393922477334
Energy: 0.1899056134102017
Energy: 0.18747862975619028
Energy: 0.18922320667810372
Energy: 0.18778505646862764
Energy: 0.18737288233855354
Energy: 2.8904234187475075
Energy: 2.3107109799540613
Energy: 2.3088182562938604
Energy: 2.3127642952592042
Energy: 2.315668129944742
Energy: 2.308367061959034
Energy: 0.019238393921588375
Energy: 0.18990561341064618
Energy: 0.18747862975663473
Energy: 0.1892232066776592
Energy: 0.18778505646862764
Energy: 0.1873728823394425

minimum gb energy = 0.018184065657612228 eV
minimum distance =  2.51741048554028 Angstroms
sigma value = 1