Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
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=[6.11239998930804e-20, 1.577469468127086e-19, 2.8023671505294e-19, 4.3016680228602603e-19, 5.477713737515279e-19, 6.31702998900252e-19, 6.94572410018412e-19, 7.43224105686456e-19, 7.846900391510099e-19, 8.23651770536622e-19, 8.620895901629159e-19, 9.006123251508118e-19, 9.37587357510264e-19, 9.713195843625e-19, 1.0007579778356159e-18, 1.025630167901832e-18, 1.045979413330266e-18, 1.062344045469942e-18, 1.075321676205342e-18, 1.085420195529444e-18, 1.0929968888316299e-18, 1.0982600390743199e-18, 1.1013474334480378e-18, 1.102350396020922e-18, 1.1012753354995079e-18, 1.0977841926140219e-18, 1.091295377246322e-18, 1.0810190163158459e-18, 1.0663478848783079e-18, 1.046859008302332e-18, 1.022066927067816e-18, 9.907940413487699e-19, 9.5068354931658e-19, 8.991110856447539e-19, 8.37653192141148e-19, 7.64770177060488e-19, 7.138994667543539e-19, 6.834340780588439e-19, 6.498973167559559e-19, 6.16102605014994e-19, 5.839917809163659e-19, 5.53010491344708e-19, 5.19563451933324e-19, 4.7727239750226e-19, 4.2140289609804593e-19, 3.5801918628037194e-19, 2.86943426442864e-19, 2.3278024315386e-19, 2.2520194767504e-19, 2.46845751823746e-19, 2.4846875675398798e-19, 1.9514992055110198e-19, -1.149431958587646e-19, -7.602648563656799e-19]
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: 0.017484700276736383
Energy: 0.5263799475997878
Energy: 0.5343714203870394
Energy: 0.32721291344658593
Energy: 0.3270577888700873
Energy: 0.017684605360954307
Energy: 0.5263799479366468
Energy: 3.897294748474125
Energy: 0.32706331080071926
Energy: 0.5247537640707561
Energy: 0.5292834936086194
Energy: 0.3273044618542029
Energy: 0.5343714203721159
Energy: 0.3270633108015458
Energy: 3.8788877935059016
Energy: 0.01797980952161859
Energy: 0.5234425961260737
Energy: 0.5236242828745273
Energy: 0.3272129134502135
Energy: 0.5247537640707561
Energy: 0.01797980952120532
Energy: 0.01766282961849592
Energy: 0.3273238663399553
Energy: 0.5221258093682644
Energy: 0.3270577888705006
Energy: 0.5292911147821927
Energy: 0.5234425961256605
Energy: 0.3273238663399553
Energy: 3.9416951257858175
Energy: 0.5376452948804831
Energy: 0.017684605360954307
Energy: 0.32730446208806635
Energy: 0.5236242828749407
Energy: 0.5221258095306326
Energy: 0.5376452948841107
Energy: 0.017599263613924745

minimum gb energy = 0.017484700276736383 eV
minimum distance =  2.72618771152568 Angstroms
sigma value = 1


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

Energy: 2.6698146593914864
Energy: 2.050855798380598
Energy: 1.9624215323441228
Energy: 1.945154213062274
Energy: 2.140450767658131
Energy: 2.2261143641984327
Energy: 1.9177597505195876
Energy: 2.202382034485416
Energy: 2.022513153314979
Energy: 2.0094367090473564
Energy: 2.0207436805946055
Energy: 2.182765249547684
Energy: 1.9654865253277851
Energy: 2.0871061832561546
Energy: 2.2542983368819534
Energy: 1.906435918891993
Energy: 2.0580029401962867
Energy: 2.017608195710234
Energy: 1.9208202535701542
Energy: 2.0580896709598884
Energy: 2.2157089296076347
Energy: 2.134306981893388
Energy: 2.084043146656191
Energy: 2.049763527001115
Energy: 2.0065440141115434
Energy: 2.2541913343205504
Energy: 2.1831788053363694
Energy: 1.9967341977209343
Energy: 2.2582279962201213
Energy: 2.082713280161336
Energy: 1.909524492094142
Energy: 2.22451196427893
Energy: 2.196852993163484
Energy: 1.9312502681763932
Energy: 2.329445874860483
Energy: 2.2907259220182032
Energy: 1.9304242264151497
Energy: 2.2655026634776516
Energy: 2.1238783623374244
Energy: 2.247549049811518
Energy: 2.2030905500977886
Energy: 2.2395379362211063
Energy: 2.1402090699820246
Energy: 2.1497862107765626
Energy: 2.0745185320230117
Energy: 1.9680888470381328
Energy: 2.2099370518141632
Energy: 2.183190094559359
Energy: 1.8407798163931102
Energy: 2.2949411823655255
Energy: 2.215686123005876
Energy: 1.9235555380251377
Energy: 2.177257441723719
Energy: 2.25968833646976
Energy: 1.8497002218487746
Energy: 2.212417300367199
Energy: 2.1995240072315156
Energy: 1.9255661129481636
Energy: 2.1842153331393748
Energy: 2.2459138610397185
Energy: 2.1487841017374847
Energy: 2.07807625262152
Energy: 2.178676413183092
Energy: 2.1515643568776506
Energy: 2.26326106409578
Energy: 2.179763261422175
Energy: 1.916875585238689
Energy: 2.053213786926281
Energy: 2.183409798413633
Energy: 2.0171986939254185
Energy: 2.253051128898536
Energy: 1.9476455209033008
Energy: 1.9398933129729694
Energy: 2.0611046606056354
Energy: 2.772725881404223
Energy: 1.9690642242077212
Energy: 2.180659871938831
Energy: 2.057539457468054
Energy: 1.986103419905619
Energy: 2.241021269296463
Energy: 2.187116744447351
Energy: 1.8702392865088486
Energy: 2.207466078073472
Energy: 2.3451310908880436
Energy: 1.898495243481858
Energy: 2.0985342792804342
Energy: 2.038154709881158
Energy: 1.9297354498651484
Energy: 2.051884570625659
Energy: 2.202935492097104
Energy: 1.8890289410112033
Energy: 2.0371499846408683
Energy: 2.033633569111122
Energy: 1.9481484920974739
Energy: 2.0638499098031646
Energy: 2.145156646287662
Energy: 1.9761270207843646
Energy: 2.0421751464497624
Energy: 2.0541313591898405
Energy: 2.0106510380077154
Energy: 2.2305796379065996
Energy: 2.039638247739546
Energy: 1.9278826760130365
Energy: 2.1671165352934523
Energy: 2.352603806951099
Energy: 2.3647738097692894
Energy: 2.2217198213199616
Energy: 2.1590403470373705
Energy: 1.931867558685125
Energy: 2.1417427135121914
Energy: 2.2628487729002074
Energy: 1.9226559100687795
Energy: 2.2089405812295837
Energy: 2.139170126884885
Energy: 1.9893365896260986
Energy: 2.1966609412882105
Energy: 2.054287032488962
Energy: 2.024014172994513
Energy: 2.2202964066238824
Energy: 2.243120586556789
Energy: 1.918573381163944
Energy: 2.166799451610795
Energy: 2.241864388685036
Energy: 2.2580084220926113
Energy: 2.2034398657683014
Energy: 2.1979056050400008
Energy: 1.9767488062317702
Energy: 2.229683264030743
Energy: 2.323323516874792
Energy: 1.8495536048689722
Energy: 2.2447348673626175
Energy: 2.0201660250125832
Energy: 2.130112723823546
Energy: 2.2368359016683663
Energy: 2.0913604928022806
Energy: 1.983078240731064
Energy: 2.0788112421208695
Energy: 2.104424208236458

minimum gb energy = 1.8407798163931102 eV
minimum distance =  2.29227755021356 Angstroms
sigma value = 33


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

Energy: 1.983929542263009
Energy: 2.072969473179952
Energy: 2.012707887720517
Energy: 1.9758378948423339
Energy: 2.0600471907943154
Energy: 2.4250100150737213
Energy: 2.0958086213690508
Energy: 2.3845300541929304
Energy: 2.0774416017777155
Energy: 1.986164579498869
Energy: 2.1201187111142152
Energy: 2.2076551914515252
Energy: 2.131658584983509
Energy: 2.211040077407645
Energy: 2.325996569132733
Energy: 1.920025415448515
Energy: 2.2105502602910834
Energy: 2.182689707577491
Energy: 2.003974024340105
Energy: 2.2396619020818918
Energy: 2.333524879450047
Energy: 1.9178759866337174
Energy: 2.29062302054532
Energy: 2.075948413375717
Energy: 2.1360626431384007
Energy: 2.1650549464530147
Energy: 2.1328650286781
Energy: 2.087726829288085
Energy: 2.358859468823409
Energy: 2.1513176529732503
Energy: 1.936748389585027
Energy: 2.293248810127796
Energy: 2.4248510553155302
Energy: 1.9493272186501462
Energy: 2.284068642431751
Energy: 2.3506052820586807
Energy: 1.945273510070401
Energy: 2.277134746683906
Energy: 2.3214175390996745
Energy: 2.338748149421448
Energy: 2.2684830629330253
Energy: 2.333792307596921
Energy: 1.9822531115149271
Energy: 2.2072671976995575
Energy: 2.0325124473901623
Energy: 1.9609598634786092
Energy: 2.3281423767881124
Energy: 2.1533591337006626
Energy: 1.9291491196648087
Energy: 2.342040281256941
Energy: 2.1570132502853814
Energy: 2.010346789951829
Energy: 2.1836811426705958
Energy: 2.2082684999820397
Energy: 1.90030844906583
Energy: 2.2738931343610846
Energy: 2.1522644467921723
Energy: 2.097106062826093
Energy: 2.174056647436322
Energy: 2.3231165254248256
Energy: 2.1468092175917324
Energy: 2.3210970696544484
Energy: 2.1775773537809666
Energy: 2.0978495252499476
Energy: 2.223171572089524
Energy: 2.1206784161596497
Energy: 1.94582985403001
Energy: 2.074612995798971
Energy: 2.0435864847930088
Energy: 1.9114753888558638
Energy: 2.018958352362045
Energy: 2.016969352661953
Energy: 1.923931134132077
Energy: 2.023062083248246
Energy: 2.029388870766164
Energy: 1.9121309185218627
Energy: 1.997411975582164
Energy: 1.984765888615536
Energy: 2.157056444194763
Energy: 2.0944507916331965
Energy: 2.342041910749027
Energy: 2.1522066582483323
Energy: 2.2921840145544667
Energy: 2.2514714663441366
Energy: 1.9411867705321373
Energy: 2.313549973781143
Energy: 2.242775932138778
Energy: 2.055418433320576
Energy: 2.2507939863822
Energy: 2.35415357812811
Energy: 1.926803227163231
Energy: 2.3675926722754186
Energy: 2.2083712712039363
Energy: 2.035493058819415
Energy: 2.306481993736657
Energy: 2.4179103750601088
Energy: 2.1828017798112893
Energy: 2.2886847021982657
Energy: 2.1767447667743585
Energy: 2.0892307907289602
Energy: 2.3353092115293137
Energy: 2.2465189228475544
Energy: 1.8969943616306668
Energy: 2.397591382509667
Energy: 2.2373875949905115
Energy: 2.2141760328761797
Energy: 2.2615389166508404
Energy: 2.402109768905435
Energy: 1.8898544560246513
Energy: 2.322813236542772
Energy: 2.257722527746782
Energy: 2.073069139320834
Energy: 2.2841572747237606
Energy: 2.4963621410956716
Energy: 2.010245942981983
Energy: 2.0435721686937955
Energy: 2.2885618192053916
Energy: 2.091817997201535
Energy: 2.3967390705807667
Energy: 2.037701753921252
Energy: 1.925495541299328
Energy: 2.0296347167162803
Energy: 2.1388260834237536
Energy: 1.9337631529139911
Energy: 2.0292697068276704
Energy: 1.960388106138182
Energy: 1.9813253908285922
Energy: 2.0687892324466213
Energy: 2.3508657516523432
Energy: 1.924133025642413
Energy: 2.0397599269128706
Energy: 2.0591569052100054
Energy: 2.0747571975656034
Energy: 2.72054802008444
Energy: 2.1959865389939224
Energy: 2.137349136876945
Energy: 2.2163843817763134
Energy: 2.0698826245207114
Energy: 3.749821411131312
Energy: 2.3968791641989644
Energy: 2.127581165188751
Energy: 2.0201484582724873
Energy: 2.2052694288031987
Energy: 2.358191010910463
Energy: 2.065712774737438
Energy: 2.4012062443712763
Energy: 2.122308130154306
Energy: 2.0502456396548414
Energy: 2.2181982312242603
Energy: 2.03876152528624
Energy: 1.9623218126462232
Energy: 2.3669054179339497
Energy: 2.3397453422196723
Energy: 1.9424387773457124
Energy: 2.2841287106533046
Energy: 2.0178801698137603
Energy: 1.983277826795543
Energy: 2.2754316566878883
Energy: 2.3116434804478274
Energy: 1.943595615221751
Energy: 2.2659815577470677
Energy: 2.3167366328367587
Energy: 1.9331161695576997
Energy: 2.3347644294330148
Energy: 2.171345568804256
Energy: 1.977749614298001
Energy: 2.2570191273027507
Energy: 1.9647770794396333
Energy: 2.0414039977125693
Energy: 2.189309098892991
Energy: 2.258224905547157
Energy: 1.940010335025401
Energy: 2.3978277743506737
Energy: 2.137769717280278
Energy: 2.044044734124018
Energy: 2.1738802484630924
Energy: 2.3215219506788847
Energy: 2.4958769153954066
Energy: 2.2987196561681396
Energy: 2.150740290390977
Energy: 2.078620899745681
Energy: 2.1866715541170985
Energy: 2.3229149647147564
Energy: 2.132601528346471
Energy: 2.23469283721928
Energy: 2.2039743706623187
Energy: 2.014867810244726
Energy: 2.0199045453765287
Energy: 2.0393092180287926
Energy: 1.9635063953044982
Energy: 2.0330440210653675
Energy: 2.398900144112114
Energy: 1.91288190577131
Energy: 2.0208471787167688
Energy: 2.0410478250887834
Energy: 1.9207978483590027
Energy: 2.032711751110202
Energy: 2.2113620625610686
Energy: 2.1777250712373366
Energy: 2.198221230552707
Energy: 2.1210923581659475
Energy: 2.0044729631404445
Energy: 2.203623413737827
Energy: 2.1917930440518956
Energy: 2.0673180548591934
Energy: 2.2832774625645156
Energy: 2.388064561555995
Energy: 1.9383863527156455
Energy: 2.345934948881492
Energy: 2.2332589318680713
Energy: 2.0255643812504154
Energy: 2.240512506084137
Energy: 2.5221326731151934
Energy: 1.9105990148819612
Energy: 2.3209673416036782
Energy: 2.2270615736072066
Energy: 2.1436128666366856
Energy: 2.15762819167318
Energy: 2.2604025174753555
Energy: 2.199750684269068
Energy: 2.3580236852912875
Energy: 2.1166323163210574
Energy: 2.0243516311300165
Energy: 2.2614378162738595
Energy: 2.3974948486852177
Energy: 1.8926426937303924
Energy: 2.302697062871513
Energy: 2.232035134804511
Energy: 2.0726988909321813
Energy: 2.278475082506064
Energy: 2.3784010928073536
Energy: 1.9048920487792773
Energy: 2.3215570758023674
Energy: 2.2367696606658605
Energy: 2.171199914170226
Energy: 2.3038903347226456
Energy: 2.1705900918469143
Energy: 2.082005900465191
Energy: 2.2849258179168186
Energy: 2.177158736809676
Energy: 1.92580827099528
Energy: 2.000020453032558
Energy: 1.9748389090121088
Energy: 1.9150432508251563
Energy: 2.0221137555535
Energy: 2.435551096023359

minimum gb energy = 1.8898544560246513 eV
minimum distance =  2.34682056280958 Angstroms
sigma value = 51


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

Energy: 3.273743449571264
Energy: 2.216040563121255
Energy: 2.0953101787206343
Energy: 2.044288692404478
Energy: 2.1194611975691644
Energy: 2.3001370404392567
Energy: 2.0805633100789467
Energy: 2.6224261579487473
Energy: 2.051913113007563
Energy: 2.081955407635395
Energy: 2.151139219154748
Energy: 2.1296307114837574
Energy: 2.0095164252175115
Energy: 2.0827627101434274
Energy: 2.270456164011036
Energy: 1.9734574741120963
Energy: 2.078061314953076
Energy: 2.047626224542846
Energy: 1.971996112573297
Energy: 2.105228876907895
Energy: 2.0512773858353297
Energy: 1.9629874623207189
Energy: 2.10396220577353
Energy: 2.129427799123019
Energy: 2.004283299301124
Energy: 2.0756233050192536
Energy: 2.0674068006007906
Energy: 1.9811069971395927
Energy: 2.273394698223351
Energy: 2.1040891472026515
Energy: 1.9952937525040377
Energy: 2.2665701201997543
Energy: 2.2636600104059053
Energy: 2.0031282171237446
Energy: 2.26724235428988
Energy: 2.336351965446213
Energy: 1.9925075231989797
Energy: 2.2659639947712886
Energy: 2.268947810845738
Energy: 2.0851645080275163
Energy: 2.2312631350742773
Energy: 2.4010103650299572
Energy: 2.07329229164651
Energy: 2.353207707288108
Energy: 2.0259652784938402
Energy: 2.017479245349832
Energy: 2.344493665001581
Energy: 2.046712310100429
Energy: 1.8104020175965954
Energy: 2.104204912682582
Energy: 2.0441353729545324
Energy: 1.990523480271028
Energy: 2.101368362868095
Energy: 2.42011067878705
Energy: 1.81943238421193
Energy: 2.0457703855006066
Energy: 2.113047810838508
Energy: 1.9900273065234686
Energy: 2.0751294033306915
Energy: 2.239497700024811
Energy: 2.0247301250873657
Energy: 2.0844714756020255
Energy: 2.101346584991724
Energy: 2.22068161855862
Energy: 2.2985437921353253
Energy: 2.059925430671796
Energy: 1.9953266354609596
Energy: 2.0634165238315325
Energy: 2.0860079054137857
Energy: 1.9703153827283069
Energy: 2.0760572863737403
Energy: 2.0600073124955975
Energy: 1.9879390761228581
Energy: 2.0804120719812467
Energy: 2.0751614115437995
Energy: 2.471265699664582
Energy: 2.0892731074519553
Energy: 2.0840380291042426
Energy: 2.0628986498615465
Energy: 2.0657372032196943
Energy: 2.254384010518031
Energy: 2.1253326928579535
Energy: 2.097200821658622
Energy: 1.9983552019951993
Energy: 2.0227494979663954
Energy: 2.251346485548058
Energy: 2.353909605812077
Energy: 2.130751496413403
Energy: 2.2552200264577302
Energy: 2.2847658123480308
Energy: 1.9905233055541969
Energy: 2.3079350484463546
Energy: 2.249705733245281
Energy: 2.1043867555216536
Energy: 2.2467898012537124
Energy: 2.377563751971053
Energy: 2.0131891997022984
Energy: 2.0594958760946858
Energy: 2.0761428730833345
Energy: 2.0954688359699714
Energy: 2.1149629243835757
Energy: 2.081933144225888
Energy: 1.8098169146921583
Energy: 2.0513400569420277
Energy: 2.076539552300052
Energy: 1.9685889302205404
Energy: 2.085792687675078
Energy: 2.218289936345012

minimum gb energy = 1.8098169146921583 eV
minimum distance =  2.32774691843172 Angstroms
sigma value = 19


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

Energy: 2.9845876777567115
Energy: 2.1699155406890616
Energy: 2.1551584792661096
Energy: 2.098127891818274
Energy: 2.2349988258380686
Energy: 2.20785064589559
Energy: 2.1195779562927064
Energy: 2.5178507858839256
Energy: 2.088032909581573
Energy: 2.02578164319493
Energy: 2.0892157802514664
Energy: 2.154217977148143
Energy: 2.119108187467722
Energy: 2.2919375532976085
Energy: 2.4576097234890235
Energy: 2.1626387292700375
Energy: 2.312283457307467
Energy: 2.2567116405107273
Energy: 2.1726152402783416
Energy: 2.2678095133007656
Energy: 2.5905382426607586
Energy: 2.205686465161473
Energy: 2.2899577511622367
Energy: 2.2103338561998367
Energy: 2.2192403988796534
Energy: 2.289595351391885
Energy: 2.2070175720994754
Energy: 2.044301538791581
Energy: 2.4706536443771765
Energy: 2.2398939030965392
Energy: 2.1965858949897887
Energy: 2.254480453827701
Energy: 2.391010494234116
Energy: 1.9919851731087523
Energy: 2.3876376443310137
Energy: 2.2492773915334623
Energy: 2.2148468781478137
Energy: 2.2869163048566716
Energy: 2.370891374514645
Energy: 2.4319306469742608
Energy: 2.383092702413631
Energy: 2.265904689561363
Energy: 2.120969423534583
Energy: 2.3204575906936045
Energy: 2.2122646996526436
Energy: 2.1534210426511717
Energy: 2.3161754172569005
Energy: 2.374437086790185
Energy: 2.2036264835168935
Energy: 2.079379518708656
Energy: 2.072596796356029
Energy: 2.0163863492261758
Energy: 2.0979160800313204
Energy: 2.3298710847005824
Energy: 2.156156844078367
Energy: 2.065074028087274
Energy: 2.080293414208432
Energy: 1.976963754155239
Energy: 2.054191224743663
Energy: 2.3251351137619762
Energy: 2.0314060988293776
Energy: 2.307445034667677
Energy: 2.1093429668582875
Energy: 1.9815378066043854
Energy: 2.1822289467051372
Energy: 2.2940906713407845
Energy: 2.2099142082390393
Energy: 2.375649027362395
Energy: 2.439867144876953
Energy: 2.2266207871591384
Energy: 2.370085474782244
Energy: 2.240268672207097
Energy: 2.313416400268583
Energy: 2.375440847578441
Energy: 2.3599150751443476
Energy: 2.232443079058404
Energy: 2.371432260659828
Energy: 2.4257658242906706
Energy: 2.1163526153496477
Energy: 2.3672799664913127
Energy: 2.358133440994165
Energy: 2.0750857658662354
Energy: 2.3029129167570423
Energy: 2.2315665552574337
Energy: 1.9642271880776005
Energy: 2.065668591285
Energy: 2.13597526071178
Energy: 2.1040880268992503
Energy: 2.1076177522172572
Energy: 1.9757613804643424
Energy: 1.999591957899338
Energy: 2.0669742485961584
Energy: 2.1542866322278695
Energy: 2.096466067244386
Energy: 2.0597998934694064
Energy: 2.035604440649402
Energy: 2.072470469776801
Energy: 2.139893743504358
Energy: 2.3638765078473876
Energy: 2.121066609309539
Energy: 2.419168623054657
Energy: 2.0770343821486024
Energy: 2.199674861931129
Energy: 2.286014998401022
Energy: 2.2495355008100026
Energy: 2.2292509393516777
Energy: 2.3239773410092113
Energy: 2.3132491235725885
Energy: 2.2166629687019817
Energy: 2.430052705853317
Energy: 2.2865312381172895
Energy: 2.1949145998324577
Energy: 2.3287498980352828
Energy: 2.477134336578873
Energy: 2.039164662928048
Energy: 2.2338363912637407
Energy: 2.4557425367270707
Energy: 2.0886113924438643
Energy: 2.41577573728797
Energy: 2.1507683066225494
Energy: 2.089014682728061
Energy: 2.3170058905287396
Energy: 2.254244683506107
Energy: 2.17697106065834
Energy: 2.2720488573309385
Energy: 2.6093059126088693
Energy: 2.109352755329946
Energy: 2.3418982039837295
Energy: 2.265078283210654
Energy: 2.2221671206727707
Energy: 2.2800589388980095
Energy: 2.4117936185299014
Energy: 2.080837870896609
Energy: 2.1447802379673475
Energy: 2.360142091431258
Energy: 2.1176259099294437
Energy: 2.300200547022536
Energy: 2.1464186517437227
Energy: 1.9966734406777988
Energy: 2.082782554020373
Energy: 2.495758976739447
Energy: 2.2599862134304005
Energy: 2.0864042679906905
Energy: 2.0627567811201106
Energy: 1.9566805921894395
Energy: 2.075882192985467
Energy: 2.101360273054861
Energy: 2.1803448433419796
Energy: 2.065584320708977
Energy: 2.070700510408751
Energy: 2.0625190390038433
Energy: 2.5311321837442016
Energy: 2.326607544093296
Energy: 2.060824927184674
Energy: 2.297848262139421
Energy: 2.105082463957177
Energy: 2.2191276807896694
Energy: 2.3882909895937874
Energy: 2.3638297480153017
Energy: 2.221772414448599
Energy: 2.3757413007340915
Energy: 2.4696418059503613
Energy: 2.209682591763249
Energy: 2.405053996968383
Energy: 2.363460086411484
Energy: 2.3259001188484394
Energy: 2.387727733976432
Energy: 2.2275336622383293
Energy: 2.048137057464719
Energy: 2.2922032934825345
Energy: 2.072827874266654
Energy: 2.0674099537960866
Energy: 2.2964573880674712
Energy: 2.3820728080190396
Energy: 2.081126519432658
Energy: 2.071182695997126
Energy: 2.0454270840767474
Energy: 1.968965849646559
Energy: 2.0677805885527656
Energy: 2.1575980420273098

minimum gb energy = 1.9566805921894395 eV
minimum distance =  2.27963127306403 Angstroms
sigma value = 27


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

Energy: 2.33241351368938
Energy: 2.183739572743602
Energy: 2.151538643757473
Energy: 1.9347043504087893
Energy: 2.204660331206761
Energy: 2.411372011133948
Energy: 1.7636414165997376
Energy: 2.2381645711024123
Energy: 2.027256448521257
Energy: 1.693811666230042
Energy: 1.9965147799556038
Energy: 1.7693363955649288
Energy: 1.6935693431048608
Energy: 2.0477510852997303
Energy: 2.2127784451524
Energy: 1.7585233761483428
Energy: 2.0706728483683925
Energy: 2.0176245071712575
Energy: 2.0338966604683244
Energy: 1.9939714061448126
Energy: 2.079787658373352
Energy: 2.044287443812967
Energy: 2.0308168006191205
Energy: 1.991511387856958
Energy: 1.8035733688195739
Energy: 2.009351483421554
Energy: 2.008474485806143
Energy: 1.7195779015334756
Energy: 2.1888840692567135
Energy: 2.0052154906185446
Energy: 1.8329788137546281
Energy: 2.0162595281410804
Energy: 2.0077949152788976
Energy: 1.7184698926361326
Energy: 2.2128596914578984
Energy: 2.0612480588573936
Energy: 1.7796439653609448
Energy: 2.1396520898440565
Energy: 2.1888511607318453
Energy: 2.3805210709359823
Energy: 2.074085431947227
Energy: 2.161629946374818
Energy: 1.675821394551457
Energy: 2.0537376261888642
Energy: 1.9935570406318366
Energy: 1.711363666422193
Energy: 2.344854512360828
Energy: 1.7224846022047204
Energy: 1.7596861275366653
Energy: 2.0964581258476236
Energy: 2.015809858743853
Energy: 1.6944702295290464
Energy: 2.048726568827633
Energy: 2.086343771801269
Energy: 1.7806059112295995
Energy: 1.9834907783533398
Energy: 1.9921377488181922
Energy: 2.009544526165992
Energy: 2.0144634175938037
Energy: 2.008249163750016
Energy: 1.6838051703798833
Energy: 2.5211211446771005
Energy: 2.0152100610198573
Energy: 1.8001259171529993
Energy: 2.0412593926267824
Energy: 2.000580507066831
Energy: 1.6595337537069685
Energy: 2.2437273568815588
Energy: 1.9986017168190306
Energy: 2.024266492672865
Energy: 2.010824217977376
Energy: 1.9841239219274152

minimum gb energy = 1.6595337537069685 eV
minimum distance =  2.326446070731 Angstroms
sigma value = 9


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

Energy: 3.8968815170807045
Energy: 2.271441292512774
Energy: 2.125884587346832
Energy: 2.1016641977777555
Energy: 2.229009404365253
Energy: 2.3655590907911463
Energy: 2.041704217869022
Energy: 2.338963164505039
Energy: 2.039619908808913
Energy: 1.9875036873452152
Energy: 2.1141790108435097
Energy: 2.0620593128768645
Energy: 2.0575053312988016
Energy: 2.4584937927791803
Energy: 2.4428220563432204
Energy: 2.051962162595235
Energy: 2.4274744113387134
Energy: 2.0783342095117474
Energy: 1.9636582803310692
Energy: 2.43120904916982
Energy: 2.4428187315901666
Energy: 2.0620597473910762
Energy: 2.4446231984464637
Energy: 2.4555735344015646
Energy: 2.1287563013235844
Energy: 2.4299816608428997
Energy: 2.462028731595205
Energy: 2.0462814227820716
Energy: 2.458638546941634
Energy: 2.437102675833611
Energy: 1.99944021313711
Energy: 2.063955711787715
Energy: 2.6213855383651006
Energy: 2.0309870176450433
Energy: 2.0489229972801244
Energy: 2.0291158138936565
Energy: 1.9516864254064081
Energy: 2.076820565317347
Energy: 2.4165759558961546
Energy: 2.6973908697249804
Energy: 2.1809753018625453
Energy: 1.998996601265985
Energy: 1.9116464432682592
Energy: 2.0504684754233486
Energy: 2.39195460254496
Energy: 2.045355464183937
Energy: 2.138034185702188
Energy: 1.9570728600441862
Energy: 2.058467847768176
Energy: 2.3221272734086305
Energy: 2.456571550609171
Energy: 2.0434980019661895
Energy: 2.4798745647599882
Energy: 2.2732447851317477
Energy: 2.175174527276306
Energy: 2.3189371699730352
Energy: 2.4672448943856518
Energy: 2.05678124430958
Energy: 2.3874210615289706
Energy: 2.2853813946282107
Energy: 1.9485737450665093
Energy: 2.346081263672817
Energy: 2.4394185076372255
Energy: 2.2021827533128775
Energy: 2.388719386522564
Energy: 2.0038998600700415
Energy: 1.9942734668327977
Energy: 2.2677331041025814
Energy: 2.077382432903058
Energy: 2.019969547125021
Energy: 2.226282753898623
Energy: 2.034599844553856
Energy: 3.619835639510649
Energy: 2.289498123532061
Energy: 2.1509082851822594
Energy: 2.0210203572437275
Energy: 2.326167205266557
Energy: 2.5296142974963662
Energy: 1.9930427018214147
Energy: 2.3123722010650103
Energy: 2.1021814031810306
Energy: 2.012723173005737
Energy: 2.2205186109729564
Energy: 2.3150043021266984
Energy: 1.969583606204261
Energy: 2.5589815054019063
Energy: 2.1545604218131227
Energy: 2.031120819723955
Energy: 2.215123011520478
Energy: 1.9992513185243366
Energy: 2.106050415888729
Energy: 2.2685279343423903
Energy: 2.1616616937246738
Energy: 2.0167340740079847
Energy: 2.2135042300468166
Energy: 2.3465070033805753
Energy: 2.037364533773453
Energy: 2.3254878682593136
Energy: 2.0629427520508905
Energy: 2.0191553664176967
Energy: 2.239867431764236
Energy: 2.691203962501709
Energy: 1.9346327675296666
Energy: 2.405782583371834
Energy: 2.218326448979876
Energy: 2.127804865333484
Energy: 2.4496291720805745
Energy: 2.0092356561038085
Energy: 2.048617689158091
Energy: 2.3265733613029047
Energy: 2.478851000450409
Energy: 2.5403974705980232
Energy: 2.414867954574431
Energy: 2.288089692086074
Energy: 2.207367484699716
Energy: 2.3059753009794757
Energy: 2.5386053396970154
Energy: 2.0983864016454143
Energy: 2.3942831997103067
Energy: 2.299742098425562
Energy: 1.934005364389674
Energy: 2.0195085015293763
Energy: 2.206566263844937
Energy: 2.0203089202100983
Energy: 2.4873406216371365
Energy: 1.9625150649515832
Energy: 1.9053761258496513
Energy: 2.080186177687118
Energy: 2.1808212262049373
Energy: 1.932607311475762
Energy: 2.099050837541815
Energy: 1.9718575369351998
Energy: 1.9790220895661812
Energy: 2.0364176598950663
Energy: 2.1870937342460315
Energy: 2.0397123418309686
Energy: 2.0890124827007504
Energy: 2.042389847019856
Energy: 2.0770285388423715
Energy: 2.437620130493496
Energy: 2.0518008962817014
Energy: 2.0205371013512297
Energy: 2.5619217437667503
Energy: 2.1168264110148396
Energy: 2.8369409828589256
Energy: 2.4460369744677526
Energy: 2.4528459852347364
Energy: 2.1549896303832443
Energy: 2.442545773128362
Energy: 2.4930181343361624
Energy: 2.0992703704714764
Energy: 2.4322201774731447
Energy: 2.4447878221706345
Energy: 2.359897374366514
Energy: 2.4170874396791673
Energy: 2.444170492656173
Energy: 2.003479782052101
Energy: 2.451343292525792
Energy: 2.0546400543848375
Energy: 2.0466351807272294
Energy: 2.1079103369547103
Energy: 2.049248973546593
Energy: 2.3620830223904874
Energy: 2.09306162747644
Energy: 2.066357688681941
Energy: 2.0008277559444365
Energy: 2.076642080574666
Energy: 2.2550984797565334
Energy: 1.9973574737526663
Energy: 2.09594722014176
Energy: 2.057424443143931
Energy: 1.9242327608976808
Energy: 2.1045959435361286
Energy: 2.3442894333640765
Energy: 2.025624909637472
Energy: 2.5418012232936875
Energy: 2.2902308169509515
Energy: 1.9823011547650862
Energy: 2.391586998247294
Energy: 2.045752220843394
Energy: 2.205738743154017
Energy: 2.475650869007846
Energy: 2.3181384674126067
Energy: 2.2725693989407603
Energy: 2.337563906529797
Energy: 2.526448058718376
Energy: 2.581752546960064
Energy: 2.4364129508441237
Energy: 2.3166905123156183
Energy: 1.9942083001993438
Energy: 2.349848036591039
Energy: 2.5313142178897143
Energy: 2.064120141774812
Energy: 2.220372702999292
Energy: 2.035300319394332
Energy: 1.9636191424214593
Energy: 2.4156149219923657
Energy: 2.0592056651027106
Energy: 2.035100132245784
Energy: 2.2315725515588363
Energy: 2.286260292525542
Energy: 2.3892240215801173
Energy: 2.307324078519224
Energy: 2.1965116429782072
Energy: 2.01719528173595
Energy: 2.196064127064545
Energy: 2.3828530118774465
Energy: 2.0748703635669403
Energy: 2.2837047722130546
Energy: 2.0965921730330748
Energy: 2.0191659138568334
Energy: 2.2694249608718127
Energy: 2.1992740176833814
Energy: 1.9385056459383607
Energy: 2.548072479674898
Energy: 2.05809268836933
Energy: 2.003906433460256
Energy: 2.198215001334686
Energy: 2.3153338666553505
Energy: 2.059065580646791
Energy: 2.269367920094959
Energy: 2.106351233098297
Energy: 2.0310063062582357
Energy: 2.2140607751697208
Energy: 2.5538027213506442
Energy: 2.684476473079034
Energy: 2.2181220207513705
Energy: 2.176966498023562
Energy: 2.0491930022454596
Energy: 2.2165846581138964
Energy: 2.020482832019464
Energy: 1.9687130105135813
Energy: 2.4721263285528434
Energy: 2.0891876086316814
Energy: 2.0744440880055306
Energy: 2.4187586003510764
Energy: 2.322256867554166
Energy: 1.9928878046865846
Energy: 2.346332516598583
Energy: 2.4809947939535033
Energy: 2.176751225904081
Energy: 2.410485447037797
Energy: 2.296672587909315
Energy: 2.265000451621236
Energy: 2.3417591817715535
Energy: 2.4903169984124633
Energy: 2.0294977647899013
Energy: 2.5193029260628093
Energy: 2.2573686608677255
Energy: 1.9856001113289428
Energy: 2.352506174015014
Energy: 2.0400521720437212
Energy: 2.0156608284878965
Energy: 2.033626491528625
Energy: 1.97041284949993
Energy: 1.9003300160225989
Energy: 2.076147490937085
Energy: 2.304793419334294

minimum gb energy = 1.9003300160225989 eV
minimum distance =  2.28752559088428 Angstroms
sigma value = 57


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

Energy: 4.218595151396803
Energy: 2.4527456260358567
Energy: 1.7847098177996445
Energy: 1.9194023019603663
Energy: 2.237300593941181
Energy: 2.3812918381301595
Energy: 2.0995949140018504
Energy: 2.3441317447572008
Energy: 2.0591090044032647
Energy: 2.0532035230506382
Energy: 2.0421099439945594
Energy: 2.3698112087691476
Energy: 2.3644102180755957
Energy: 2.387808068568982
Energy: 2.35406276923344
Energy: 2.189664831766707
Energy: 2.281063063944381
Energy: 2.0493246303163852
Energy: 1.710536705381716
Energy: 2.287145649918018
Energy: 2.369974025359947
Energy: 2.2225519628805652
Energy: 2.295576129064377
Energy: 1.82915472481108
Energy: 1.8275814442262879
Energy: 2.187240734120562
Energy: 2.39836470842734
Energy: 2.0354190497191995
Energy: 2.3631216615626642
Energy: 2.2064232626220077
Energy: 2.0286614861442804
Energy: 2.0406860390959434
Energy: 2.2930610067965236
Energy: 2.1135886071619416
Energy: 2.0398836646849343
Energy: 2.049029310583231
Energy: 1.783154031802591
Energy: 2.0454361690485183
Energy: 2.0396602059369755
Energy: 2.290167497548595
Energy: 2.139903383104211
Energy: 1.7901038858084377
Energy: 1.8514642441997313
Energy: 2.0821387497418633
Energy: 2.4904182717601495
Energy: 2.109869642803339
Energy: 2.2320123666140157
Energy: 2.0244415598221943
Energy: 1.8192561458401086
Energy: 2.03777967223073
Energy: 2.3644614520307887
Energy: 2.34074378406203
Energy: 2.392663154091245
Energy: 1.8386878338839916
Energy: 1.7960558780599496
Energy: 1.8751890715530704
Energy: 2.4385124659075808
Energy: 2.503104731087583
Energy: 2.041229718378958
Energy: 1.8444218438086506
Energy: 2.041028762071321
Energy: 1.75567535793812
Energy: 2.338800398619347
Energy: 2.4386419334265934
Energy: 2.163352490368648
Energy: 1.7621647043232034
Energy: 2.122001492643802
Energy: 2.341109639413061
Energy: 2.2989893743102146
Energy: 2.338982086866391
Energy: 2.2745383043229124
Energy: 2.136476181466427
Energy: 2.4036847552297766
Energy: 2.3912081241922123
Energy: 2.2657083626119747
Energy: 2.173509447544346
Energy: 2.331813335704616
Energy: 2.390119096946462
Energy: 2.1022421939843623
Energy: 2.341957462349343
Energy: 2.2047722147073783
Energy: 2.002015248741394
Energy: 2.3635025185555105
Energy: 2.4038076823586296
Energy: 2.377121680310641
Energy: 2.2654886439690305
Energy: 2.0521217041785906
Energy: 2.1262004720397125
Energy: 2.1061875516244983
Energy: 2.366437064919906
Energy: 2.077251462804881
Energy: 2.025389145552595
Energy: 2.027635622936838
Energy: 1.7513311658796886
Energy: 2.044361635252013
Energy: 2.2129509805497083
Energy: 2.1352657996975943
Energy: 2.0455199296519537
Energy: 2.058881360137383
Energy: 1.9150812005283921
Energy: 2.0465735895864383
Energy: 2.0260567469149198
Energy: 2.3353746507969873
Energy: 2.389768770103977
Energy: 1.8120561200849314
Energy: 1.8011782960596179
Energy: 2.100750499656369
Energy: 2.3234568859435045
Energy: 2.4868937436271694
Energy: 2.0478816907566886
Energy: 1.8045783976091851
Energy: 1.8641561121659753
Energy: 2.046023265564669
Energy: 2.3404745107361866

minimum gb energy = 1.710536705381716 eV
minimum distance =  2.28586788968191 Angstroms
sigma value = 11


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

Energy: 2.7124560044362416
Energy: 1.8479399533892609
Energy: 2.003443290085276
Energy: 1.9282519109340999
Energy: 1.9826760465396767
Energy: 2.600226092896348
Energy: 2.596026743158369
Energy: 2.3673250163093815
Energy: 1.9835268380928288
Energy: 2.0030246339556523
Energy: 2.1455221185981705
Energy: 2.3463670013053135
Energy: 2.1314981136918014
Energy: 2.421729207479049
Energy: 2.076347337401887
Energy: 2.098977192729318
Energy: 2.250039034176045
Energy: 2.3962916041065396
Energy: 2.3194166508544365
Energy: 2.3014737229800226
Energy: 2.2259044807971455
Energy: 2.134252209922476
Energy: 2.2817074923359657
Energy: 2.297455359937706
Energy: 2.2584802072216483
Energy: 2.4238001347493756
Energy: 2.35171962252546
Energy: 2.1391424006808264
Energy: 2.2560046442885424
Energy: 2.283747209206878
Energy: 2.1391048441495
Energy: 2.2838997692893455
Energy: 2.343812909811277
Energy: 2.4724022661804215
Energy: 2.267160540779138
Energy: 2.2495654661704063
Energy: 2.0387873522430757
Energy: 2.0800764061833914
Energy: 2.4302459124480067
Energy: 2.1826483053863
Energy: 2.414886544060236
Energy: 2.0461869324979642
Energy: 1.9117410717599015
Energy: 2.252368726111923
Energy: 2.374526449350355
Energy: 2.358097005614426
Energy: 2.30365179695777
Energy: 2.147726835856162
Energy: 1.9820019036427483
Energy: 2.0876062781448548
Energy: 2.2943370403849728
Energy: 2.2570466674299614
Energy: 2.3536802682585636
Energy: 2.0299327503384914
Energy: 1.9508124206123065
Energy: 1.856302147864113
Energy: 2.1641492259793234
Energy: 2.743655090002561
Energy: 2.0901861231508243
Energy: 2.043863184816864
Energy: 1.777265830237809
Energy: 2.0214315572960357
Energy: 2.277594726085863
Energy: 2.6256388545780425
Energy: 2.187904010645146
Energy: 1.8294427881880595
Energy: 1.8738269023482492
Energy: 1.8429855115455591
Energy: 2.2945211838922512
Energy: 2.374768617195681
Energy: 2.2837581859078937
Energy: 1.8241573993695401
Energy: 1.8082818462552015
Energy: 2.0428640367950113
Energy: 2.3884236266913663
Energy: 2.5840886076143303
Energy: 2.082929018855766
Energy: 1.8672160362461125
Energy: 1.9535102236001523
Energy: 2.067791677636978
Energy: 2.635332585819902
Energy: 2.6751121089526735
Energy: 2.130535463472136
Energy: 2.0003184519248456
Energy: 1.9379640702962317
Energy: 2.0817324911329456
Energy: 2.3054127159998195
Energy: 2.4728604977699895
Energy: 2.299604403829214
Energy: 2.0049851563209673
Energy: 2.085599085197657
Energy: 2.2871494114121567
Energy: 2.301039588613071
Energy: 2.3750826086165073
Energy: 2.3130706764509448
Energy: 2.184549900866608
Energy: 2.0134591296848785
Energy: 2.2397973288819357
Energy: 2.306201550472002
Energy: 2.405233567564368
Energy: 2.28400798864489
Energy: 2.0665824165449656
Energy: 2.135189944671605
Energy: 2.2194488004696002
Energy: 2.335774925940026
Energy: 2.2897523146629695
Energy: 2.2993722889284403
Energy: 2.301686600319025
Energy: 2.6061494896389243
Energy: 2.3343899798943006
Energy: 2.355463996087437
Energy: 2.1300771861146037
Energy: 2.260405384293353
Energy: 2.4126726945989
Energy: 2.0613998759513597
Energy: 2.353743779520138
Energy: 2.074610555872104
Energy: 2.0360850458044846
Energy: 2.253738713703965
Energy: 2.3703447759175433
Energy: 2.609036941172962
Energy: 2.3090071441545414
Energy: 2.1625131369705297
Energy: 1.8404853650462856
Energy: 2.258848523903255
Energy: 2.3244395924131114
Energy: 2.549794335595272
Energy: 2.3370800083931758
Energy: 2.0237061048811253
Energy: 1.9552760377559055
Energy: 2.134210736630525
Energy: 2.4151027903846636
Energy: 2.304054541821461
Energy: 1.9225852832010297
Energy: 2.048256376267774
Energy: 1.758227182057121
Energy: 1.9286336977077436
Energy: 2.4885470822731053
Energy: 2.5666687752774915
Energy: 2.123293333619387
Energy: 1.9815137984891766
Energy: 1.8325616093976123
Energy: 2.0297478012587393
Energy: 2.3603553627873377
Energy: 2.129072183280892
Energy: 2.3026283092150175
Energy: 1.8396411403575734
Energy: 1.783249382505598
Energy: 1.9047082515752485
Energy: 2.345580994445622
Energy: 3.0289453747403936
Energy: 2.0932667687716693
Energy: 1.8259290105940063
Energy: 1.8019101080193185
Energy: 1.8537787785544277
Energy: 2.3626199929528284

minimum gb energy = 1.758227182057121 eV
minimum distance =  2.28479242043021 Angstroms
sigma value = 41


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

Energy: 3.6323397671103064
Energy: 1.7358491932142415
Energy: 1.7175910898055042
Energy: 1.8711685770388413
Energy: 1.7246708036588516
Energy: 2.4144594667019685
Energy: 2.5114709827719897
Energy: 2.2766508964279883
Energy: 1.9328250378243974
Energy: 1.8271146512755658
Energy: 1.9822480392204835
Energy: 2.209964675084063
Energy: 2.477515384400864
Energy: 2.2748466528877556
Energy: 1.9470414661208466
Energy: 1.9286238424238322
Energy: 2.137204011500002
Energy: 2.3768984388184333
Energy: 2.4824624691574897
Energy: 2.1409059168251567
Energy: 1.950146825972127
Energy: 1.9272847408090255
Energy: 2.176094571459084
Energy: 2.323483865136558
Energy: 2.7451499329989693
Energy: 2.195091292015497
Energy: 2.128949040090046
Energy: 2.1590554886033426
Energy: 2.102702973792067
Energy: 2.331133186397817
Energy: 2.4716348036819977
Energy: 2.260253080879391
Energy: 2.2010119963813333
Energy: 2.2020648832966807
Energy: 2.190396065461524
Energy: 2.28386575309496
Energy: 2.298897432334045
Energy: 2.1820131810905417
Energy: 2.2546568550561785
Energy: 2.3340663536374864
Energy: 2.207509836908293
Energy: 2.1765321323524613
Energy: 2.0053304877279663
Energy: 2.292248474261439
Energy: 2.252387714512941
Energy: 2.21475724294216
Energy: 2.2132762869543896
Energy: 2.1585526813278233
Energy: 2.245721105691029
Energy: 2.221897339817936
Energy: 2.2751074969956933
Energy: 2.3513969184106247
Energy: 2.1739937152812026
Energy: 2.268220559325851
Energy: 1.9775109874619001
Energy: 2.1068695678803238
Energy: 2.244566032089004
Energy: 2.274905050532634
Energy: 2.1634909975231036
Energy: 2.1297168213419253
Energy: 2.263184095184886
Energy: 2.0734974048447774
Energy: 2.2463519012576767
Energy: 2.3368814981931116
Energy: 2.198312579681801
Energy: 1.9516684021958692
Energy: 2.2389059128550057
Energy: 1.962564730093283
Energy: 2.3178861268352975
Energy: 2.2739760024551683
Energy: 2.2320110086353444
Energy: 1.9444460339076228
Energy: 1.813287216609179
Energy: 1.8688195656057836
Energy: 1.888352634259908
Energy: 2.467793526975154
Energy: 2.178152469187642
Energy: 1.878915536875782
Energy: 1.691387559490049
Energy: 1.7520692183842757
Energy: 2.0202976924023845
Energy: 2.0441621872188294
Energy: 1.7429723464181919
Energy: 1.7207429214453722
Energy: 1.7097674857451253
Energy: 1.9502423059670642
Energy: 2.19535425765956
Energy: 2.340250798877021
Energy: 1.9344484570434677
Energy: 1.8554918184319802
Energy: 1.7088678245342093
Energy: 1.7567878685814564
Energy: 2.2957254989848503
Energy: 2.382853324842913
Energy: 2.2123732695120486
Energy: 1.7341768811321
Energy: 1.690883924771581
Energy: 1.8056862200723824
Energy: 1.7067059082178617
Energy: 2.29674482522115
Energy: 1.7125746371821449
Energy: 1.7159609183847107
Energy: 1.8201599904954884
Energy: 1.8524047639718286
Energy: 2.278948817555136
Energy: 2.321476462220188
Energy: 2.051434360762808
Energy: 1.8886082596741705
Energy: 1.9035004969925815
Energy: 2.013777294717591
Energy: 2.3189990419247906
Energy: 2.2866782495353366
Energy: 2.1808638281865633
Energy: 1.933060449569374
Energy: 1.987148227529517
Energy: 2.145274125244915
Energy: 2.3250749034673164
Energy: 2.318783662484004
Energy: 2.143037284828372
Energy: 1.979884766823924
Energy: 2.242441987504348
Energy: 2.1771774818096588
Energy: 2.3318589021828826
Energy: 2.3150363711678694
Energy: 2.1733713992667063
Energy: 2.151905533459871
Energy: 2.2643078108974244
Energy: 2.182723441689731
Energy: 2.2640406662489254
Energy: 2.314841510517543
Energy: 2.229478345070472
Energy: 2.212630831420824
Energy: 3.123618693018664
Energy: 2.2356126044444102
Energy: 2.2725511787994175
Energy: 2.1316475845565015
Energy: 2.2450108877317754
Energy: 2.251952744990041
Energy: 2.3197266194486406
Energy: 2.1807791498735414
Energy: 2.2285169670712603
Energy: 2.171403145346089
Energy: 2.200307244939876
Energy: 2.1802325547926102
Energy: 2.4659665450449695
Energy: 2.2411389416018572
Energy: 2.170755835013514
Energy: 2.253128846625209
Energy: 2.154469925455094
Energy: 2.2924683081515966
Energy: 2.322630712311506
Energy: 2.2572809074099216
Energy: 2.1926741398828833
Energy: 2.156707249390597
Energy: 2.118237769040159
Energy: 2.4062436387350052
Energy: 2.3631663805910628
Energy: 2.1993404734158912
Energy: 1.9501158710705437
Energy: 2.2452796694855204
Energy: 2.0014599656458016
Energy: 2.0486885717762915
Energy: 2.7981569167118354
Energy: 2.3379769543952658
Energy: 1.9588150934659776
Energy: 1.9401415687262362
Energy: 2.1374716022354483
Energy: 2.239129889532553
Energy: 2.5108100556202895
Energy: 1.9884213344258337
Energy: 1.9627255529210448
Energy: 1.8296570691459875
Energy: 1.975686019670803
Energy: 2.3097783831171976
Energy: 4.148604859290264
Energy: 1.7287505009205464
Energy: 2.0165846185592637
Energy: 1.6980135338682945
Energy: 1.7116688699825102
Energy: 2.0601778424537267
Energy: 2.8835609560105055
Energy: 2.0127995923122355
Energy: 1.8982916554219194
Energy: 1.732773387724553
Energy: 1.9816913311291593
Energy: 2.2716717794192136
Energy: 2.7812699433851784
Energy: 2.21224636107016
Energy: 1.7426801986506884
Energy: 1.7014279874559202
Energy: 1.7079553642029681
Energy: 2.3149572937266605
Energy: 2.693849459056182
Energy: 1.7156321344872028
Energy: 1.730768122701429
Energy: 1.7061818981809596
Energy: 1.7418627489419227
Energy: 1.81855852481415

minimum gb energy = 1.690883924771581 eV
minimum distance =  2.25143449295553 Angstroms
sigma value = 33


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

Energy: 3.435462710766637
Energy: 1.6420818592697277
Energy: 1.8393369433641946
Energy: 1.771026851269704
Energy: 1.9087629817971403
Energy: 2.3954619380610667
Energy: 3.0448021950781805
Energy: 2.087587035174022
Energy: 1.7857411784801325
Energy: 1.6747991591949036
Energy: 1.824041424367987
Energy: 2.0643755643449953
Energy: 2.977450627252497
Energy: 2.12665525306301
Energy: 1.7867008116361154
Energy: 1.7700123370900005
Energy: 1.9560518890840928
Energy: 2.216948497208909
Energy: 3.147170076125878
Energy: 2.1362160717156446
Energy: 1.8064994716906138
Energy: 1.7335214615973575
Energy: 1.847248034674498
Energy: 2.2784965542522593
Energy: 2.7306581472747324
Energy: 2.059303026894417
Energy: 1.9525432250190047
Energy: 1.900533982413244
Energy: 1.9550044599265242
Energy: 2.1142473441453253
Energy: 2.968015392321651
Energy: 2.0919412739186285
Energy: 1.9542002553559563
Energy: 1.970782965950795
Energy: 1.9962067326850417
Energy: 2.141203879723533
Energy: 2.807172141799582
Energy: 2.1072446480156
Energy: 2.0023723461737566
Energy: 2.012504779244666
Energy: 2.068479834824216
Energy: 2.2111312510800505
Energy: 2.869037950169755
Energy: 2.2758228873476263
Energy: 2.011853272510947
Energy: 1.9986794142770643
Energy: 2.158990065920406
Energy: 2.2445813892306816
Energy: 2.778937734179171
Energy: 2.1022896680253296
Energy: 2.078611993915746
Energy: 2.198208055746013
Energy: 2.0485249465411854
Energy: 2.176811842497253
Energy: 2.5250835502328184
Energy: 2.125342037175126
Energy: 2.09413084424229
Energy: 2.2058413535652392
Energy: 2.0490609044061996
Energy: 2.1674871737492887
Energy: 2.7222060402345214
Energy: 2.083357779665497
Energy: 2.058362159823225
Energy: 2.1387366740937064
Energy: 2.0288583886027225
Energy: 2.095496064519989
Energy: 2.2490787461471076
Energy: 2.036256543466628
Energy: 2.1102007243339442
Energy: 2.186407758051713
Energy: 2.044785357730011
Energy: 2.225262501309089
Energy: 2.29622216858068
Energy: 2.027688348341746
Energy: 2.1985683000978486
Energy: 2.293828737300259
Energy: 2.1004085045210243
Energy: 2.0113156792886815
Energy: 2.0679050558754724
Energy: 1.986024260439489
Energy: 2.1609768835030074
Energy: 2.1746037322815552
Energy: 2.087514837505044
Energy: 1.9372805310920584
Energy: 1.915519034951288
Energy: 2.003961280433106
Energy: 2.122250601247177
Energy: 2.185838303635454
Energy: 2.08469198856901
Energy: 1.9818499011646917
Energy: 1.9638078207028309
Energy: 1.9791158095445476
Energy: 2.19962255235311
Energy: 2.3756045882646895
Energy: 2.133107084079301
Energy: 1.9511760472116724
Energy: 1.9447426133442658
Energy: 1.912325406496473
Energy: 2.291214598726485
Energy: 2.3766753149739874
Energy: 2.028990736832715
Energy: 1.9287275488387883
Energy: 1.976697769027513
Energy: 1.844864530354323
Energy: 1.9528450479438297
Energy: 2.34610375815384
Energy: 2.0232989723091115
Energy: 1.8083919951935192
Energy: 1.882411526377096
Energy: 1.7816740905530233
Energy: 2.145463582468859
Energy: 2.2671915471353175
Energy: 2.023112743148301
Energy: 1.750759023671847
Energy: 1.6632467291374504
Energy: 1.7787569100811833
Energy: 1.7369083664093865
Energy: 2.2275914788336815
Energy: 1.7005268143721735
Energy: 1.7324159463617088
Energy: 1.591999397156826
Energy: 1.615319893031369
Energy: 1.843852054945371
Energy: 2.4462456405020867
Energy: 1.7624013903922062
Energy: 1.6488752705264793
Energy: 1.5877291004280687
Energy: 1.793992314186221
Energy: 2.2684777531440314
Energy: 2.3109372457362127
Energy: 2.1138610720560638
Energy: 1.6512581422656083
Energy: 1.5935438024434658
Energy: 1.7993598677122082
Energy: 2.2982082876295276
Energy: 2.264720009676973
Energy: 2.08582521966468
Energy: 1.6641781938221178
Energy: 1.5797040824632873
Energy: 1.6598191593569662
Energy: 2.1852658867434216
Energy: 2.3375146110064264
Energy: 1.6558686997580399
Energy: 1.644369741081807
Energy: 1.6634588747297718
Energy: 1.7909012544760319
Energy: 2.176570278404654
Energy: 2.4284831465352794
Energy: 1.9788428744472508
Energy: 1.7500242223827087
Energy: 1.7207573236344362
Energy: 1.8060345259597177
Energy: 2.138374876306818
Energy: 2.2911935890206574
Energy: 2.048079608060282
Energy: 1.756509842276435
Energy: 1.825113545147697
Energy: 1.8360055820035286
Energy: 1.962514501422621
Energy: 2.5031132898745634
Energy: 1.9236761539875058
Energy: 1.7552643425777124
Energy: 1.9337859970753042
Energy: 1.9681790781589448
Energy: 2.20962705100883
Energy: 2.2609362742274692
Energy: 1.8738112642126132
Energy: 1.923898366911111
Energy: 1.9811284325200424
Energy: 1.965957882259489
Energy: 2.077354682285158
Energy: 2.1626009413981206
Energy: 2.143417071907626
Energy: 1.9624064219267903
Energy: 2.645290546579172
Energy: 2.02691588929421
Energy: 2.1306827948681177
Energy: 2.2294002700464306
Energy: 2.089724637562374
Energy: 2.006728475388982
Energy: 2.0184298826911435
Energy: 2.054750516901851
Energy: 2.224003975942526
Energy: 2.115481832305628
Energy: 2.0655000569991353
Energy: 1.9451157226766793
Energy: 2.2967740593416743
Energy: 2.02411410456885
Energy: 2.1493935707772858
Energy: 2.4084905006660913
Energy: 2.0831381468874146
Energy: 2.043245095755195
Energy: 2.462048853355857
Energy: 2.049089304752957
Energy: 2.0599422395792337
Energy: 2.1351591863137234
Energy: 2.0611804338273885
Energy: 2.0912216866128404
Energy: 2.4921242525298997
Energy: 2.041227433256052
Energy: 2.0688056710555043
Energy: 2.0904512194250167
Energy: 2.038329865448876
Energy: 2.0847795178720374
Energy: 2.7163507133517113
Energy: 2.0647825953538854
Energy: 2.057552592314696
Energy: 2.0648015638690977
Energy: 2.116217015206597
Energy: 2.132662257850288
Energy: 2.8745431110331965
Energy: 2.1073619745498315
Energy: 2.0341235208212876
Energy: 2.174692282990559
Energy: 2.053166568944344
Energy: 2.1734297045667006
Energy: 3.1646452954442292
Energy: 2.2434495848557336
Energy: 1.993973915647653
Energy: 1.9957000540018541
Energy: 1.9898767815199239
Energy: 2.157013859544955
Energy: 2.8302315648862617
Energy: 2.1090426659856876
Energy: 2.0129750958995705
Energy: 1.9381721762082351
Energy: 2.0271665899166114
Energy: 2.227854869074884
Energy: 2.94699405235493
Energy: 2.1065003805317626
Energy: 1.9636500013501692
Energy: 1.9438678852613043
Energy: 2.048598194393364
Energy: 2.101870990519699
Energy: 2.957764150419685
Energy: 1.9183214145987313
Energy: 1.925894306528472
Energy: 1.9000865339748019
Energy: 1.9669619853289007
Energy: 2.2254657659180563
Energy: 2.8592808650469634
Energy: 1.897130683663863
Energy: 1.7837612624361296
Energy: 1.7484180355463501
Energy: 1.8451136741127072
Energy: 2.23977954214503
Energy: 2.9506549303994754
Energy: 2.090232004063112
Energy: 1.7733116324729874
Energy: 1.7428880000038036
Energy: 1.8350923422076781
Energy: 2.137900313295912
Energy: 3.049847560842554
Energy: 2.1403574295871963
Energy: 1.7600686845988678
Energy: 1.6736286757568284
Energy: 1.8331020216320306
Energy: 2.0868563204063193
Energy: 3.048308854091884
Energy: 1.638978088829708
Energy: 1.671358742514296
Energy: 1.5814064151488674
Energy: 1.656094610521807
Energy: 2.1702640284499384
Energy: 2.762385237570426
Energy: 2.146521312464542
Energy: 1.787268490475596
Energy: 1.6023421653184675
Energy: 1.8356778932443083
Energy: 2.295257880002172
Energy: 3.3022021296706767
Energy: 2.0467482226706095
Energy: 1.6533798152210073
Energy: 1.5889088499604846
Energy: 1.7087534529233377
Energy: 2.172963140076168
Energy: 3.1162621760498213
Energy: 1.6583140757279908
Energy: 1.6487657232595188
Energy: 1.5790105737877012
Energy: 1.73302981198989
Energy: 2.388968708533023

minimum gb energy = 1.5790105737877012 eV
minimum distance =  2.40109323753128 Angstroms
sigma value = 67


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

Energy: 0.6581885801101212
Energy: 1.1575468090956968
Energy: 1.1314450524557418
Energy: 0.9704136896985266
Energy: 1.1151089552291522
Energy: 0.6585810307893437
Energy: 2.556132062975818
Energy: 0.8870720560378799
Energy: 0.9631416443413261
Energy: 1.0311230403399503
Energy: 0.9158375632094394
Energy: 0.9531521502899868
Energy: 2.6760606408768637
Energy: 0.9183804943164738
Energy: 0.9331605644713185
Energy: 0.9496070982599856
Energy: 0.8814587808840336
Energy: 0.9628087283237334
Energy: 0.6012303023886449
Energy: 0.8770270603292423
Energy: 0.9088244606557158
Energy: 0.906289909247577
Energy: 0.8683336258885089
Energy: 0.5998713235045073
Energy: 0.600036938881462
Energy: 0.8640199690023261
Energy: 0.9591193745344175
Energy: 0.9755110874554525
Energy: 0.8772745565395106
Energy: 0.5997663479766805
Energy: 2.5610034358947593
Energy: 0.8865464782526282
Energy: 0.9174994757154467
Energy: 0.9317327269324006
Energy: 0.8702983884745623
Energy: 0.9566658846661921
Energy: 0.6294339682456054
Energy: 0.9037265364960149
Energy: 0.9296045657574592
Energy: 0.9613094515390521
Energy: 0.8756667889032947
Energy: 1.011486302642251

minimum gb energy = 0.5997663479766805 eV
minimum distance =  2.63340692591748 Angstroms
sigma value = 3


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

Energy: 3.4071896882807318
Energy: 2.1694076113871477
Energy: 1.8884352926370112
Energy: 1.817176998659189
Energy: 1.648866481949456
Energy: 2.068584961844723
Energy: 3.701998579775231
Energy: 2.0630792481129365
Energy: 1.6899538124724118
Energy: 1.5865246821161378
Energy: 1.703068050039347
Energy: 2.37593693369095
Energy: 3.00863397368071
Energy: 2.088095821954091
Energy: 1.6733347283161548
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Energy: 3.397499870176306
Energy: 1.9253499734653299
Energy: 1.6469453148420405
Energy: 1.5696340414900065
Energy: 1.677395913284399
Energy: 2.1103340743260492
Energy: 3.40065885795689
Energy: 1.8964176356351257
Energy: 1.7637839121082939
Energy: 1.695585474820402
Energy: 1.8389597495945038
Energy: 2.0630176279901495
Energy: 2.9948268560792792
Energy: 2.0824798332564947
Energy: 1.7701505032120441
Energy: 1.7213161214162933
Energy: 1.8654012967401248
Energy: 2.1965377885598616
Energy: 3.365187238300278
Energy: 2.0201124411280165
Energy: 1.767302031792046
Energy: 1.6610795670405132
Energy: 1.8152626534201508
Energy: 2.0152328382356774
Energy: 3.0057277033850016
Energy: 2.0773377408809544
Energy: 1.9411180415734528
Energy: 1.8980996365080038
Energy: 1.9642154440653152
Energy: 2.132115854957705
Energy: 3.0368471543617064
Energy: 2.1168631115488528
Energy: 1.9099032609616455
Energy: 1.919493316893029
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Energy: 2.2073975428978665
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Energy: 1.8893825595319913
Energy: 1.9685215538639464
Energy: 2.241066956967214
Energy: 2.911145609663572
Energy: 2.0676519701988476
Energy: 1.9793541928082323
Energy: 1.9558917507029814
Energy: 1.9800338897931513
Energy: 2.1712219654308678
Energy: 2.8881858341707773
Energy: 2.0954231132860857
Energy: 1.9814364183491386
Energy: 2.012087776115693
Energy: 1.9838513845490382
Energy: 2.118197851998055
Energy: 2.8046790012223353
Energy: 2.1554737802004214
Energy: 1.9736081070253275
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Energy: 2.0013562530363735
Energy: 2.2349677142355304
Energy: 2.785947785702948
Energy: 2.0473227983391347
Energy: 2.038668689373724
Energy: 2.2525359104949203
Energy: 2.031128839585745
Energy: 2.08221954329569
Energy: 2.6069060900758436
Energy: 2.0420663425336305
Energy: 2.103281388009548
Energy: 2.154965893292331
Energy: 2.0673571823222336
Energy: 2.0727444837902205
Energy: 2.444623334334279
Energy: 2.083495049098321
Energy: 2.083405747686198
Energy: 2.170804771444809
Energy: 2.0541564292649643
Energy: 2.166995188066365
Energy: 2.3471499645613965
Energy: 2.0260857296713057
Energy: 2.102263870424819
Energy: 2.2249221607051552
Energy: 2.078950363780403
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Energy: 2.403093473672515
Energy: 1.9904579818583403
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Energy: 2.332098437272389
Energy: 2.053794825689154
Energy: 1.9864690854368703
Energy: 2.355025848946876
Energy: 1.9850460323510513
Energy: 2.0962672462513354
Energy: 2.214499042785849
Energy: 2.0636271773468087
Energy: 1.9830768189192167
Energy: 2.014208665582009
Energy: 2.0141438223966572
Energy: 2.0898930262798667
Energy: 2.233637623737098
Energy: 2.0680996041024273
Energy: 1.9568522287075951
Energy: 1.9956327579954052
Energy: 1.89172127574853
Energy: 2.156000533506952
Energy: 2.290382718632918
Energy: 2.0690667979540773
Energy: 1.8448456404214602
Energy: 2.031817659779085
Energy: 1.8804049384939987
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Energy: 2.0130143210017417
Energy: 1.8845958442254438
Energy: 1.7754569280473207
Energy: 1.894767030784174
Energy: 2.1090545315006617
Energy: 2.1830332602874543
Energy: 1.986879006961383
Energy: 1.8780652624910767
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Energy: 1.8599727896061486
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Energy: 2.1628044244837055
Energy: 2.0339588586150654
Energy: 1.8130069191517224
Energy: 1.780822642654422
Energy: 1.8650115019966995
Energy: 2.025003762625296
Energy: 2.3012562061132633
Energy: 2.0969132793379606
Energy: 1.800057283089039
Energy: 1.7200406872074865
Energy: 1.8169696395628168
Energy: 1.9773695628141335
Energy: 2.1578005958566697
Energy: 1.9995544442050321
Energy: 1.7629377496552847
Energy: 1.591557504288719
Energy: 1.6905122067867346
Energy: 2.0147868962766355
Energy: 2.2505800517245325
Energy: 1.9333560512339818
Energy: 1.6529955085628727
Energy: 1.6409644834868873
Energy: 1.7310974306611489
Energy: 2.0901760559124054
Energy: 2.2648821020665073
Energy: 2.02563341474121
Energy: 1.6856071607745866
Energy: 1.6247925216720045
Energy: 1.7631573079546492
Energy: 2.1549782132604114
Energy: 2.2757073288570453
Energy: 1.925831025215537
Energy: 1.689150001857841
Energy: 1.7386717574389563
Energy: 1.817320539530221
Energy: 2.061147210943393
Energy: 2.275088901082891
Energy: 1.7609332099377444
Energy: 1.7044565300123309
Energy: 1.7564388503702213
Energy: 1.7749112616959135
Energy: 2.1288774632930885
Energy: 2.277167912734584
Energy: 1.9923368570123487
Energy: 1.72499785524839
Energy: 1.718107514611425
Energy: 1.7937061193303816
Energy: 2.048696137466159
Energy: 2.2898842314958427
Energy: 2.022367377169147
Energy: 1.7282769350141485
Energy: 1.7057494200701484
Energy: 1.7797186329335968
Energy: 2.085754178267063
Energy: 2.244731291536703
Energy: 2.04913603841228
Energy: 1.7178144795238945
Energy: 1.9718733555209098
Energy: 1.9287284656423989
Energy: 2.1244607274567064
Energy: 2.227993887800288
Energy: 2.060846025347521
Energy: 1.9090636813226876
Energy: 1.991180740218026
Energy: 1.9395509228068204
Energy: 2.1063170357623497
Energy: 2.3033548942093653
Energy: 2.0497201320995178
Energy: 1.9024685494013993
Energy: 1.9761088242070428
Energy: 1.9476714177193348
Energy: 2.109311370495487
Energy: 2.185158861360274
Energy: 2.0737420209642194
Energy: 1.910185552335265
Energy: 2.4001265971149564
Energy: 2.016816488936217
Energy: 2.0930585544183726
Energy: 2.239524963857595
Energy: 2.0426362963397806
Energy: 1.9971111657556122
Energy: 2.321534838459155
Energy: 1.996794958657718
Energy: 2.17930728954563
Energy: 2.196146506808505
Energy: 2.1946010983393687
Energy: 1.982395633214113
Energy: 2.3411257402754684
Energy: 2.0070538248535237
Energy: 2.1179347378747013
Energy: 2.212454334867046
Energy: 2.0773385373751823
Energy: 1.9931242301689087
Energy: 2.3784324858956727
Energy: 2.1483229800334045
Energy: 2.072847369960112
Energy: 2.0686725869170384
Energy: 2.0438528310387762
Energy: 2.108672625454649
Energy: 2.6737241337060405
Energy: 2.037658901351824
Energy: 2.0988132552832646
Energy: 2.161710187844967
Energy: 2.062185571489244
Energy: 2.1048061588991502
Energy: 2.686586978642495
Energy: 2.056813248398577
Energy: 2.0851550193403616
Energy: 2.2365133734295806
Energy: 2.0602777110605066
Energy: 2.0971124724247714
Energy: 2.7654589125428295
Energy: 2.1069148730965503
Energy: 1.9789742017696572
Energy: 2.032653649963787
Energy: 2.0075355107734008
Energy: 2.171024080214693
Energy: 3.0583817208607056
Energy: 2.092210611417286
Energy: 2.0122097886121697
Energy: 1.9836182712479704
Energy: 1.9991460947502597
Energy: 2.1880325683836257
Energy: 3.1045850572540035
Energy: 2.0972890609844357
Energy: 2.0282390657952787
Energy: 1.9967470566110739
Energy: 2.040174689735563
Energy: 2.120729110883427
Energy: 3.1158475566381436
Energy: 2.111693358436568
Energy: 1.9224392824943535
Energy: 1.940320261062361
Energy: 1.9571956429465196
Energy: 2.116671324564494
Energy: 3.0276023013747535
Energy: 2.1545295848907666
Energy: 1.9110824200932823
Energy: 1.8959403156516341
Energy: 1.9900791231383492
Energy: 2.239025509415079
Energy: 3.154479613418023
Energy: 2.0490105418806
Energy: 1.8933263728081984
Energy: 1.8670439303570923
Energy: 1.9365948890776226
Energy: 2.1437721938445553
Energy: 3.1364590587643217
Energy: 2.0773457168944724
Energy: 1.7759878787719332
Energy: 1.6696946045493555
Energy: 1.8690592751100719
Energy: 2.208909255502835
Energy: 3.0043516125172562
Energy: 2.065637427285919
Energy: 1.7579821045837964
Energy: 1.697306642252769
Energy: 1.8239588357253975
Energy: 2.3038507086089677
Energy: 3.1683483861475565
Energy: 2.0757130051377977
Energy: 1.7762056036642644
Energy: 1.7104471075082948
Energy: 1.8479354827531116
Energy: 2.0833958446842034

minimum gb energy = 1.5696340414900065 eV
minimum distance =  2.27617387324486 Angstroms
sigma value = 81


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

Energy: 4.005873269595826
Energy: 2.2676029366963943
Energy: 1.7047741257720765
Energy: 1.9412595158522217
Energy: 1.7475882821658064
Energy: 2.5580010557110113
Energy: 2.8279229738054688
Energy: 2.2118319832442355
Energy: 1.7473941826283783
Energy: 1.6940727503783872
Energy: 1.7383521647089548
Energy: 2.178213745192478
Energy: 2.6042582872387414
Energy: 2.2157929747993723
Energy: 1.821331079006503
Energy: 1.7188977803520171
Energy: 1.7904793603667128
Energy: 2.3450810534956386
Energy: 2.5537755754302753
Energy: 2.1455469681567743
Energy: 1.7438544309997281
Energy: 1.6900603085662227
Energy: 1.7613606288280792
Energy: 2.2767541283060715
Energy: 4.15753458749673
Energy: 1.963702175739145
Energy: 1.9131895180208078
Energy: 1.8561903742926869
Energy: 1.944232608886103
Energy: 2.175438167013664
Energy: 2.586388899359657
Energy: 2.1184207537604696
Energy: 1.9306483519745983
Energy: 1.8801112084018954
Energy: 1.9501792525712949
Energy: 2.2725701764515613
Energy: 3.2442171652940703
Energy: 2.233649569251887
Energy: 1.9091608563966431
Energy: 1.8321646989496787
Energy: 1.9352912804695983
Energy: 2.237484978806959
Energy: 3.0819732816662935
Energy: 2.2056998949305564
Energy: 2.1237819299901024
Energy: 2.1168423657659727
Energy: 2.1299698393549957
Energy: 2.2630213029729442
Energy: 3.2065207714862414
Energy: 2.2912674427507462
Energy: 2.1029109899326266
Energy: 2.0632219113807935
Energy: 2.146204936617806
Energy: 2.373924418116205
Energy: 2.807310880621854
Energy: 2.2433379417200503
Energy: 2.1280226918564664
Energy: 2.084077613506519
Energy: 2.1524329830962015
Energy: 2.3159011313998157
Energy: 2.4031880056115345
Energy: 2.1980617521760877
Energy: 2.2314458607272356
Energy: 2.159279689138965
Energy: 2.1716567038763173
Energy: 2.248100080339013
Energy: 3.222243404576226
Energy: 2.1964989237661436
Energy: 2.197674047671912
Energy: 2.27024756894323
Energy: 2.168963991714756
Energy: 2.2405015094109904
Energy: 2.342510044552083
Energy: 2.151996826983761
Energy: 2.235822331316971
Energy: 2.201504238497253
Energy: 2.2076510777341074
Energy: 2.1770364086364244
Energy: 2.305360545008911
Energy: 2.084117407476541
Energy: 2.28360134001498
Energy: 2.2265818203867864
Energy: 2.2275031522688393
Energy: 2.0482560758728545
Energy: 2.33798739347641
Energy: 2.0657709035373713
Energy: 2.2848534838903705
Energy: 2.3762020096719736
Energy: 2.199168331716887
Energy: 2.043876362859884
Energy: 2.120441848728819
Energy: 2.097185432213867
Energy: 2.281783265262668
Energy: 2.2935694940207534
Energy: 2.148512417608234
Energy: 2.1124821292659273
Energy: 1.9000224049157313
Energy: 2.0186639584625543
Energy: 2.233932283024904
Energy: 2.2791495880035937
Energy: 2.17110409431598
Energy: 1.967122536814772
Energy: 1.9357021272147912
Energy: 2.0175223547120904
Energy: 2.1089066553021354
Energy: 2.38907461725339
Energy: 2.1396397327219048
Energy: 1.9624754616828053
Energy: 1.9097295019577034
Energy: 1.9655963769102813
Energy: 2.126301165117183
Energy: 2.33763725089555
Energy: 2.1926581480828893
Energy: 1.9832234038103254
Energy: 1.7426949992292708
Energy: 1.842938135216256
Energy: 2.2266807433201135
Energy: 2.359675158220552
Energy: 2.190178815266187
Energy: 1.7871784309593204
Energy: 1.770163925892204
Energy: 1.859526676041763
Energy: 2.2016139255503173
Energy: 2.3361964481531885
Energy: 2.2782808103231624
Energy: 1.8191356771755827
Energy: 1.7617501445605588
Energy: 1.846986793594816
Energy: 2.277051702421122
Energy: 2.297730114991231
Energy: 1.8876344530798153
Energy: 1.8440716235273282
Energy: 1.7644101508428134
Energy: 1.8886329136297046
Energy: 2.172762763379616
Energy: 2.717403209985214
Energy: 1.8948863869230705
Energy: 1.8236258516180957
Energy: 2.0395691078172513
Energy: 1.9204930291598565
Energy: 2.2598559386779375
Energy: 2.3464924444947544
Energy: 1.9317544420515713
Energy: 1.8658517243407413
Energy: 1.888598673332383
Energy: 1.8506975134406711
Energy: 2.3516482941405945
Energy: 2.267935304561788
Energy: 2.20427969753127
Energy: 1.858451601399572
Energy: 1.879568414910724
Energy: 1.933855902501525
Energy: 2.1892646477052904
Energy: 2.298317735549942
Energy: 2.1799923738170524
Energy: 1.8763856844473803
Energy: 2.3332969502451744
Energy: 2.1207751193759004
Energy: 2.310881670415712
Energy: 2.5901009332078924
Energy: 2.1936441294931446
Energy: 2.1114179651318272
Energy: 2.1420278435739695
Energy: 2.117285153479553
Energy: 2.366743862149781
Energy: 2.3737031900905454
Energy: 2.1897759219123802
Energy: 2.1051756151147063
Energy: 2.2738552793836595
Energy: 2.147180563543142
Energy: 2.21536288688021
Energy: 2.2814355058929774
Energy: 2.2170892165480995
Energy: 2.149649334069427
Energy: 2.3905400579543765
Energy: 2.2958220851312716
Energy: 2.215798943501631
Energy: 2.1503998021839204
Energy: 2.2053527951461542
Energy: 2.4093907640744305
Energy: 2.726864497825161
Energy: 2.1996997381254286
Energy: 2.230651275090783
Energy: 2.4898768810507157
Energy: 2.2153958273605765
Energy: 2.1900723034210734
Energy: 2.9560169442940403
Energy: 2.202103440702549
Energy: 2.1467077214766483
Energy: 2.216958282564493
Energy: 2.2046669860228456
Energy: 2.2280861836093573
Energy: 2.5728900264118946
Energy: 2.2094812059365307
Energy: 2.1030932564046547
Energy: 2.0976943677069926
Energy: 2.1408020724656054
Energy: 2.3420577055001672
Energy: 3.8021873279297873
Energy: 2.232222666837322
Energy: 2.0871963469125006
Energy: 2.0819954211942138
Energy: 2.113966050120226
Energy: 2.319363824178723
Energy: 2.6995556023958227
Energy: 2.21680639978734
Energy: 1.9219813665873453
Energy: 1.8546908558246615
Energy: 1.9945824701631325
Energy: 2.2763548910285314
Energy: 2.585711174182269
Energy: 2.2760886798114592
Energy: 1.9232085979040978
Energy: 1.8500195349631994
Energy: 1.9907494085896087
Energy: 2.3528114463088823
Energy: 2.6817612902987435
Energy: 2.1514483997823737
Energy: 1.930232555943537
Energy: 1.8895058445424684
Energy: 1.9295180588497216
Energy: 2.377551553970714
Energy: 3.46709737716526
Energy: 1.9936360552434023
Energy: 1.903247310593062
Energy: 1.832328187103276
Energy: 1.9344039046530832
Energy: 2.3337719646869868

minimum gb energy = 1.6900603085662227 eV
minimum distance =  2.33301679841551 Angstroms
sigma value = 43


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

Energy: 3.020972970136053
Energy: 2.3814477652035717
Energy: 2.01773430029877
Energy: 1.9988743007739609
Energy: 1.7587024681053656
Energy: 2.272627930810576
Energy: 2.962085237427122
Energy: 2.070286200447982
Energy: 1.74684377090752
Energy: 1.7471645031465364
Energy: 1.7377547639040714
Energy: 2.2477430264742053
Energy: 2.203609249958984
Energy: 2.256779867897987
Energy: 1.777526125908871
Energy: 1.7523240290441062
Energy: 1.7929724789865247
Energy: 2.3651936695255285
Energy: 2.9592830612805145
Energy: 2.0300648309876324
Energy: 1.7301914970528638
Energy: 1.7268562459068046
Energy: 1.7429139398106055
Energy: 2.3201157538800303
Energy: 2.9555878363642565
Energy: 2.4653099455071015
Energy: 1.9746643130519765
Energy: 1.9516060880143018
Energy: 1.9816607422694679
Energy: 2.3096567825050065
Energy: 2.201262010281435
Energy: 2.19279632791342
Energy: 1.9814308344709897
Energy: 1.962510948832907
Energy: 2.072167027496431
Energy: 2.5621701281670957
Energy: 2.2373596141372074
Energy: 2.264130127824632
Energy: 1.9687626540916592
Energy: 1.94317886828391
Energy: 2.0045605160552564
Energy: 2.3614283398665044
Energy: 2.4984236405520064
Energy: 2.27302234919891
Energy: 2.3541471890517918
Energy: 1.9989601000131598
Energy: 2.2732485304870766
Energy: 2.2671058249566935
Energy: 2.1998610200195348
Energy: 2.4126265212976716
Energy: 2.210672017842658
Energy: 2.17173964390749
Energy: 2.3049337984919744
Energy: 2.4050272825121484
Energy: 2.4963944892381433
Energy: 2.237044755220328
Energy: 2.222919075889237
Energy: 2.229399450228908
Energy: 2.259540191015557
Energy: 2.2919916717932445
Energy: 2.511963696049115
Energy: 2.210190410568875
Energy: 2.3130791551619376
Energy: 2.235022797639426
Energy: 2.259211010723531
Energy: 2.2205682039245938
Energy: 2.4799450806857437
Energy: 2.20565233336335
Energy: 2.270843754336402
Energy: 2.297467877284199
Energy: 2.2766281808885465
Energy: 2.256566320671047
Energy: 1.9611016070941962
Energy: 2.0648371585910237
Energy: 2.2538082551931335
Energy: 2.252733783981821
Energy: 2.2978279083004853
Energy: 2.0202005992378265
Energy: 1.9345292984964018
Energy: 1.9958440301812366
Energy: 2.345944866436535
Energy: 2.254462389344077
Energy: 2.3244463989603843
Energy: 1.9709705679025524
Energy: 1.9759143727210797
Energy: 2.0645930930017586
Energy: 2.2814082812843233
Energy: 2.3040930668602644
Energy: 1.9728144921985025
Energy: 1.9801329751903054
Energy: 1.7423220084700162
Energy: 1.9739690857438619
Energy: 2.2500615354812723
Energy: 2.6343420329184974
Energy: 2.0381058007034287
Energy: 1.790318623969731
Energy: 1.7287304900802978
Energy: 1.7373671704299138
Energy: 2.257658254020532
Energy: 2.29264251918486
Energy: 1.9666000852946128
Energy: 1.7703637551428963
Energy: 1.7596227449647783
Energy: 1.7588791791975706
Energy: 2.215194914108981
Energy: 2.253414234088657
Energy: 1.9756273436585958
Energy: 1.7695853135780493
Energy: 1.723462764289397
Energy: 1.7430775357326365
Energy: 1.960508901500195
Energy: 2.3092901391343554
Energy: 2.0059967779811863
Energy: 1.7525073878102595
Energy: 1.9368762230023462
Energy: 2.0244187556626754
Energy: 2.012793512219123
Energy: 2.3048877510104737
Energy: 2.0287384571103364
Energy: 1.9600187715252895
Energy: 1.9714050247862198
Energy: 1.993855198370955
Energy: 2.30830835516013
Energy: 2.2741426055444274
Energy: 2.196749285635146
Energy: 1.985216848527952
Energy: 1.916050768968857
Energy: 2.0111040316391606
Energy: 2.233646003467219
Energy: 2.238365969093044
Energy: 2.2714841369265333
Energy: 1.9650739794984444
Energy: 2.000488375496455
Energy: 2.0749467054289195
Energy: 2.337408489733566
Energy: 2.2642040963312655
Energy: 2.4726863041961487
Energy: 2.016006792236125
Energy: 2.1684540799012035
Energy: 2.2434472780930244
Energy: 2.2791513004017383
Energy: 2.2461712185854767
Energy: 2.320732656970457
Energy: 2.190646816731054
Energy: 2.811094787013203
Energy: 2.2025671212048126
Energy: 2.2634514101066636
Energy: 2.365688894492709
Energy: 2.307952223120845
Energy: 2.214648617242199
Energy: 2.185368568045179
Energy: 2.2856351908500208
Energy: 2.2137694061911333
Energy: 2.209303920804599
Energy: 2.2167191223545384
Energy: 2.3136757582552625
Energy: 2.8207401141164374
Energy: 2.2791040760640375
Energy: 2.2024430704317655
Energy: 2.2108145074013117
Energy: 2.274216949489955
Energy: 2.2713882311386464
Energy: 2.817593386166399
Energy: 2.251055803335524
Energy: 2.042664608607498
Energy: 1.9775126026619327
Energy: 2.0682997198900837
Energy: 2.2777249271318207
Energy: 2.2244144086909476
Energy: 2.2633308737770435
Energy: 1.9668133420614295
Energy: 1.9328273120104078
Energy: 2.027998758279584
Energy: 2.280405058355336
Energy: 2.9244059287873148
Energy: 2.2548335889147464
Energy: 1.9934652270006255
Energy: 1.9879645556704026
Energy: 2.008447842527732
Energy: 2.3618619492535564
Energy: 2.887414264368449
Energy: 2.0733041575924296
Energy: 1.9448999238851283
Energy: 1.9230073861583323
Energy: 1.9610403321923284
Energy: 2.2397133973360317

minimum gb energy = 1.723462764289397 eV
minimum distance =  2.39506581362005 Angstroms
sigma value = 57


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

Energy: 2.4893654733555075
Energy: 2.1559991104687906
Energy: 1.816796184555304
Energy: 2.0749878301743503
Energy: 1.8392189256720295
Energy: 2.439369261896006
Energy: 2.48766412735193
Energy: 2.153002086947031
Energy: 1.8056848657818771
Energy: 1.7729365673014676
Energy: 1.860869695081168
Energy: 2.405505767344908
Energy: 2.544033856505952
Energy: 2.406098982118765
Energy: 1.8301891109682744
Energy: 1.795807048137967
Energy: 1.8510324704407735
Energy: 2.416497263828307
Energy: 2.9131434217015397
Energy: 2.1954370119867472
Energy: 1.8318328934764296
Energy: 1.8059194166380121
Energy: 2.0409391027031036
Energy: 2.3538667488034513
Energy: 2.8871431893378667
Energy: 2.191160796484847
Energy: 2.0878937771789348
Energy: 2.0625197432122024
Energy: 2.1568522033320203
Energy: 2.3564290118827778
Energy: 2.4832291608804553
Energy: 2.4043404754625533
Energy: 2.133309775163836
Energy: 2.089907329217124
Energy: 2.1747030400868517
Energy: 2.4726574687107092
Energy: 2.5381453340872566
Energy: 2.362574037842553
Energy: 2.093512462622471
Energy: 2.103026103891741
Energy: 2.151884698950035
Energy: 2.413131756526549
Energy: 2.097324563686236
Energy: 2.4031338025507036
Energy: 2.1791993655360464
Energy: 2.1536759288848524
Energy: 2.3744242019161335
Energy: 2.3912067618886015
Energy: 2.269147625363679
Energy: 2.411576048977757
Energy: 2.304917769630658
Energy: 2.4046607314023802
Energy: 2.3848230210367247
Energy: 2.4538994547992323
Energy: 2.0967794415280596
Energy: 2.188270455287083
Energy: 2.3605136254865657
Energy: 2.381691707560733
Energy: 2.3519517704971924
Energy: 2.1099337044616027
Energy: 2.1025671957567
Energy: 2.1080519985883193
Energy: 2.4511376694898526
Energy: 2.4795124739488172
Energy: 2.3367572387748816
Energy: 2.0739222592380684
Energy: 2.0788005661432813
Energy: 2.132794618407812
Energy: 2.2313151851530653
Energy: 2.4207837632745637
Energy: 2.1802782798625246
Energy: 2.0688794149392797
Energy: 1.785500784856524
Energy: 1.8996861581459192
Energy: 2.3895456212809796
Energy: 2.530991389822739
Energy: 2.3320407707004707
Energy: 1.8372063537431045
Energy: 1.7971438008171905
Energy: 1.8229736263834402
Energy: 2.5026968723665584
Energy: 2.521658132696707
Energy: 1.93093193034339
Energy: 1.9038142639801712
Energy: 1.7765228978694505
Energy: 1.9030347165321684
Energy: 2.4171204178695445
Energy: 2.5345902924279846
Energy: 2.1249838414495446
Energy: 1.848073367255799
Energy: 1.8085193388515242
Energy: 1.8316180765991095
Energy: 2.4073064554259864
Energy: 2.480853072809405
Energy: 2.2561666383220347
Energy: 1.8782977192358383
Energy: 2.0803672054625757
Energy: 2.117405092740629
Energy: 2.426839056634837
Energy: 2.5152066594265468
Energy: 2.1647551034252026
Energy: 2.070968476033014
Energy: 2.138326064016829
Energy: 2.135972940018982
Energy: 2.443867269033905
Energy: 2.508264523489521
Energy: 2.18879448185255
Energy: 2.072638783982388
Energy: 2.081750317910379
Energy: 2.1508309545379505
Energy: 2.363693876610419
Energy: 2.12061892502034
Energy: 2.398295983394523
Energy: 2.1548509618304728
Energy: 2.5259433852395325
Energy: 2.3648666814352235
Energy: 2.3682736680793774
Energy: 2.52752185645034
Energy: 2.358068908150335
Energy: 2.38815281189861
Energy: 2.448514198571029
Energy: 2.4052275125991684
Energy: 2.182206606526836
Energy: 2.173109493856723
Energy: 2.170884763564711
Energy: 2.3307494796004002
Energy: 2.4987939328969713
Energy: 2.3727049939417357
Energy: 2.079171245866756
Energy: 2.0752179342460377
Energy: 2.118098444310572
Energy: 2.417873654210418
Energy: 2.505100880048183
Energy: 2.433448679460589
Energy: 2.113836347924904
Energy: 2.123082907114209
Energy: 2.145224750550766
Energy: 2.417800178415218
Energy: 2.674362768191461
Energy: 2.240165591989795
Energy: 1.8116859012897153
Energy: 2.109032164076575
Energy: 2.1005094359118024
Energy: 2.45711328764697

minimum gb energy = 1.7729365673014676 eV
minimum distance =  2.38354962002938 Angstroms
sigma value = 17


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

Energy: 3.0462335304239785
Energy: 2.680804764297098
Energy: 2.184249688895313
Energy: 2.1365370574861924
Energy: 2.487233983171265
Energy: 2.628094884731795
Energy: 1.9099407576381877
Energy: 2.311541366902752
Energy: 1.7934280568107008
Energy: 1.790153237811214
Energy: 1.802361432557529
Energy: 1.9425205198825612
Energy: 1.906128859123841
Energy: 2.2585541500225803
Energy: 1.8334513054584622
Energy: 1.7935562584521003
Energy: 1.7691149318063621
Energy: 1.9391459308110228
Energy: 2.3262719222768484
Energy: 2.2515226690477466
Energy: 1.8942071790875028
Energy: 1.8529923206949523
Energy: 1.8467378523407643
Energy: 2.291163562147858
Energy: 2.322675264371942
Energy: 2.416049256229153
Energy: 1.8628172765217659
Energy: 1.9404164436105629
Energy: 2.143343143947983
Energy: 1.843309535044756
Energy: 1.8785179478443432
Energy: 2.0733523512493894
Energy: 2.2077132343570596
Energy: 1.7491981254557196
Energy: 2.2130120257720844
Energy: 1.9231835776928452
Energy: 2.3494386199334456
Energy: 2.2210830737974434
Energy: 1.8386372644807731
Energy: 1.8966651200629376
Energy: 2.2178307993304083
Energy: 1.8407566874391532
Energy: 2.3746937351904522
Energy: 2.2055301913235654
Energy: 2.6396559415200516
Energy: 1.9074327375682159
Energy: 2.2539470830092934
Energy: 2.2332273192815637
Energy: 1.8862960583132522
Energy: 2.207825120664035
Energy: 2.538673559940881
Energy: 2.6196316352875
Energy: 2.314960550810424
Energy: 1.8994757644926596
Energy: 1.825217623875262
Energy: 1.8996460636715706
Energy: 2.2018545479767484
Energy: 1.9008588081096656
Energy: 2.239418309911251
Energy: 1.8432577502605838
Energy: 1.7501592324657484
Energy: 1.773950721489425
Energy: 2.066550811478939
Energy: 1.870164038015462
Energy: 1.789804545971534
Energy: 1.794387843391235
Energy: 1.8009399926063985
Energy: 1.9451255439844108
Energy: 2.2885422595585876
Energy: 2.3608264113478676
Energy: 1.8653212016464862
Energy: 1.8525644338288985
Energy: 1.9205591284038834
Energy: 1.8452169470430084
Energy: 2.2350690299052673
Energy: 2.2362255352627782
Energy: 2.228360836295038
Energy: 2.18516739581941
Energy: 1.7495007913949232
Energy: 2.207761409951813
Energy: 2.077652798135696
Energy: 1.8876367370034848
Energy: 2.2765036827305214
Energy: 1.7534725597723555
Energy: 2.3595004626396814
Energy: 2.243927035207082
Energy: 2.197048671913518
Energy: 1.9157269586205816
Energy: 2.0699215542089577
Energy: 1.8257009103173836
Energy: 1.8718679975105772
Energy: 2.061577985545553
Energy: 2.2075215464848954
Energy: 2.2292905087440973
Energy: 2.218218470912496
Energy: 1.9301593542026998
Energy: 2.89035068288511
Energy: 2.369651867786536
Energy: 1.8684202858604684
Energy: 1.900686762081655
Energy: 1.9129354138011885
Energy: 2.2620684540750005

minimum gb energy = 1.7491981254557196 eV
minimum distance =  2.30005135805821 Angstroms
sigma value = 17


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

Energy: 3.8921594306088276
Energy: 2.870856361084284
Energy: 2.29418645342132
Energy: 2.209814507247747
Energy: 1.9997556961048082
Energy: 2.862829337499782
Energy: 1.9233959270340637
Energy: 1.9311142379230228
Energy: 1.92690134033148
Energy: 1.8764374254732625
Energy: 2.0269699467334146
Energy: 2.2178282700657204
Energy: 2.196798482070559
Energy: 2.307809880938246
Energy: 1.9309456643953335
Energy: 1.8773098931555803
Energy: 1.9830293968899948
Energy: 2.5281737579651575
Energy: 2.61391383106037
Energy: 2.6911570928417756
Energy: 2.050651857995841
Energy: 1.9445059254960235
Energy: 1.9923580537016208
Energy: 2.7338678748902523
Energy: 2.6195079343444605
Energy: 2.638816174562988
Energy: 2.3064876595128716
Energy: 2.617030365879901
Energy: 2.6112476289067517
Energy: 2.6299934178375226
Energy: 2.0089251265528465
Energy: 2.0712723708687704
Energy: 2.602588150946479
Energy: 1.9112451322018993
Energy: 2.6616610250139168
Energy: 2.0579618654249376
Energy: 1.8850335370320452
Energy: 2.0217466475723067
Energy: 2.6298956720185247
Energy: 2.60757429463035
Energy: 1.9727333872002224
Energy: 1.9487176842324498
Energy: 1.8657059086167538
Energy: 1.923336542145213
Energy: 2.3209768531862878
Energy: 1.9477847843536715
Energy: 1.8897998555114326
Energy: 1.9040467944941102
Energy: 1.9533003807403055
Energy: 2.0908940857642984
Energy: 2.6810305801868877
Energy: 1.8899877789210564
Energy: 1.9582465500632966
Energy: 2.0224478477700987
Energy: 2.152371424348501
Energy: 2.23345475619286
Energy: 2.3010803267981843
Energy: 2.168924341880823
Energy: 2.2644396071901784
Energy: 1.9380453535716606
Energy: 2.335330568578901
Energy: 2.228960983361148
Energy: 2.6141495697547277
Energy: 2.1102013333977094
Energy: 2.325586339989338
Energy: 2.142423904276677
Energy: 2.2013920632079964
Energy: 2.2632668349974683
Energy: 2.4732482735247423
Energy: 2.533491393469948
Energy: 2.4891176474364967
Energy: 1.99441416999257
Energy: 2.1524375144460404
Energy: 2.5658606395017896
Energy: 2.450494802401896
Energy: 2.5038735640197602
Energy: 2.4796993395766425
Energy: 2.3143940796342513
Energy: 2.931650204749166
Energy: 2.690921238477608
Energy: 2.1391752800839106
Energy: 1.9952136428799936
Energy: 2.6055571959215045
Energy: 2.8348508289094205
Energy: 2.3639420832600813
Energy: 2.4247234605277415
Energy: 1.9033768088977103
Energy: 1.855933837789852
Energy: 1.997219051902738
Energy: 2.2586964788770247
Energy: 2.1779199491146697
Energy: 1.9540563288190627
Energy: 1.846514821972015
Energy: 1.7886443928276434
Energy: 1.921933315684291
Energy: 2.538124515350063
Energy: 2.6127266936024394
Energy: 2.6476765382396654
Energy: 1.9648103347404364
Energy: 1.9229641091591545
Energy: 2.0218165535962327
Energy: 2.755587463001511
Energy: 2.602292123658407
Energy: 2.4871386575208696
Energy: 1.8696085912061915
Energy: 2.2409787966089074
Energy: 2.2109543965866294
Energy: 2.7882050271437397
Energy: 2.1445251955260662
Energy: 2.665112122393176
Energy: 2.4429802534388996
Energy: 2.34852805316774
Energy: 2.5217466459350066
Energy: 2.0075295386025642
Energy: 2.157232440489768
Energy: 2.205368612643296
Energy: 2.521263558595156
Energy: 2.615781023105939
Energy: 2.5397686188027886
Energy: 2.16878596611875
Energy: 2.1483627200294464
Energy: 2.2000070389180624
Energy: 2.2485994070898636
Energy: 1.962496741084479
Energy: 2.2561043758737473
Energy: 2.14905928387208
Energy: 2.1640448547300886
Energy: 2.0268041316395218
Energy: 2.6501922156620963
Energy: 1.8103792822135159
Energy: 1.9311185398525463
Energy: 1.969074474297124
Energy: 1.9034214723507137
Energy: 2.0440339649524732
Energy: 2.2936114023376475
Energy: 2.3619337571693806
Energy: 1.9607757531516479
Energy: 1.9729746597267594
Energy: 1.853039766070316
Energy: 1.9689433282549227
Energy: 2.0268264562700278
Energy: 1.9566519009211252
Energy: 1.888561928009833
Energy: 1.912631919361225
Energy: 1.9348719134163754
Energy: 2.0071550113426606
Energy: 2.648426079742747
Energy: 1.8441287765114627
Energy: 2.370909584753234
Energy: 1.9687385430207465
Energy: 2.077643156799469
Energy: 2.6884456228065443
Energy: 2.68347576328871
Energy: 2.6008287954019855
Energy: 2.6617982721948934
Energy: 2.1705625293610957
Energy: 2.880218092792932
Energy: 2.685776808707841
Energy: 1.974590146780433
Energy: 2.0033849514937123
Energy: 2.349184486911517
Energy: 2.6496833810167844
Energy: 2.8414071466443005
Energy: 2.6564629130576103
Energy: 2.000502958670344
Energy: 1.9215607806837323
Energy: 2.041106003806261
Energy: 2.7158204995576702
Energy: 1.9903262513141784
Energy: 2.125431922986264
Energy: 1.9518430529289896
Energy: 1.8598355246452687
Energy: 1.959820669198822
Energy: 2.070431002492787
Energy: 2.603701717292216
Energy: 2.438088085169086
Energy: 2.011312797451201
Energy: 1.9108454709976554
Energy: 2.108981365399313
Energy: 2.2807413884131584
Energy: 2.633401314012246
Energy: 2.129239874808941
Energy: 2.001829654243673
Energy: 2.174981981202548
Energy: 2.0882718415787656
Energy: 2.6927164914133304
Energy: 1.9308318504696762
Energy: 2.366047355774935
Energy: 2.175910576018857
Energy: 2.145620661602626
Energy: 2.2232383192173892
Energy: 2.400503937501518
Energy: 2.6133696321034248
Energy: 2.5115988507054787
Energy: 2.2134526648109847
Energy: 2.1612443857266235
Energy: 2.2766308733790384
Energy: 2.1320666567887776
Energy: 2.935213018996452
Energy: 2.461360476350697
Energy: 2.842017361908674
Energy: 2.0402888302003115
Energy: 2.7016537059299117
Energy: 2.449189861223646
Energy: 2.108210483644188
Energy: 2.5458276281541585
Energy: 2.777551267321802
Energy: 1.8413390375541236
Energy: 2.7542720726068697
Energy: 1.9410512890715377
Energy: 1.8887578421586202
Energy: 2.015099652772957
Energy: 2.808515145823895
Energy: 2.729175245736486
Energy: 2.161541965629775
Energy: 1.9646207713240285
Energy: 1.7814578747621006
Energy: 1.8620594947939568
Energy: 1.8306403420884636
Energy: 2.2148906059695066
Energy: 1.8179693449657304
Energy: 1.8296174501444198
Energy: 1.8440391990043212
Energy: 1.9270772935143852
Energy: 2.5466553299484347
Energy: 2.170281871209486
Energy: 2.1178432894687678
Energy: 1.9122884230131647
Energy: 2.1849241596141793
Energy: 2.5564965118624263
Energy: 2.6994645630328638
Energy: 1.902320276680691
Energy: 1.9724623767213894
Energy: 2.238636205960222
Energy: 2.367969324618679
Energy: 2.463027968767382
Energy: 2.837201830274662
Energy: 2.1423674007823714
Energy: 2.5361520817361365
Energy: 2.4697621208448153
Energy: 2.6192033208678853
Energy: 2.479215334506684
Energy: 1.9728923488878485
Energy: 2.201513169300825
Energy: 2.377531300413942
Energy: 2.462894436262734
Energy: 2.0137892000941724
Energy: 2.3465497355465614
Energy: 2.196148381646108
Energy: 2.134264399789756
Energy: 2.2310176302713765
Energy: 2.5784901613436464
Energy: 2.356944269674325
Energy: 2.3128621554259543
Energy: 1.9642115422361297
Energy: 2.1548305155135687
Energy: 2.235402177789
Energy: 2.4186646918491403

minimum gb energy = 1.7814578747621006 eV
minimum distance =  2.27248186594322 Angstroms
sigma value = 57


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

Energy: 3.0126025068694164
Energy: 2.117166983022623
Energy: 1.996033860962851
Energy: 2.362504320431714
Energy: 2.0253855826319676
Energy: 2.102136525208511
Energy: 1.9973951153153326
Energy: 2.190709377932152
Energy: 1.917684010930959
Energy: 1.9687847629954374
Energy: 2.040093862260752
Energy: 2.6786801636090445
Energy: 2.5004017879375264
Energy: 2.4256464976131897
Energy: 1.9666361758400754
Energy: 1.892838763206632
Energy: 2.0978950844924995
Energy: 2.659167656404987
Energy: 2.5351550577070525
Energy: 2.4242758467246692
Energy: 2.0400291628425484
Energy: 2.0220396153627496
Energy: 2.4125716417594303
Energy: 2.7609018481814527
Energy: 2.4114003706787126
Energy: 2.726747661909141
Energy: 2.340245531431541
Energy: 2.569297775609262
Energy: 2.669160632902815
Energy: 2.6942275044490556
Energy: 2.0979257082762723
Energy: 2.6039638184344964
Energy: 2.6621109516932857
Energy: 1.9982049226837724
Energy: 2.770393931622994
Energy: 2.057090346860199
Energy: 1.964529228945774
Energy: 2.053005896722593
Energy: 2.226885353562683
Energy: 2.584684244035575
Energy: 2.47828480582594
Energy: 2.0157770698175725
Energy: 1.9226641699605809
Energy: 2.030205983856411
Energy: 2.54169838340373
Energy: 1.945488112955925
Energy: 2.0846793012122844
Energy: 1.9714126463363182
Energy: 2.0752437359399636
Energy: 2.1074396305733885
Energy: 2.7900815256472185
Energy: 2.14269392935679
Energy: 2.4413139495458007
Energy: 2.086403027423641
Energy: 1.967512378042586
Energy: 2.3326590642338085
Energy: 2.5293343239675465
Energy: 2.1865323159565047
Energy: 2.3599441488360395
Energy: 2.3058991359534886
Energy: 2.148610015403759
Energy: 2.3227747481691874
Energy: 1.8586666376797294
Energy: 2.284460286870475
Energy: 2.478142892104423
Energy: 2.2863269658373486
Energy: 2.022014879458352
Energy: 2.3502541598324798
Energy: 2.3880913309016583
Energy: 2.3975275627819834
Energy: 2.4021971088387883
Energy: 2.3319182253684723
Energy: 2.0294466175774226
Energy: 2.5692588927918614
Energy: 1.8157854988077076
Energy: 2.4190565707694835
Energy: 2.401751580027346
Energy: 2.8066403311030204
Energy: 2.733755248580535
Energy: 2.8530312467013528
Energy: 2.7069366843829448
Energy: 2.16380573564874
Energy: 2.665809710833098
Energy: 3.2369317667208835
Energy: 1.9897969761867174
Energy: 2.347725043384035
Energy: 2.0656460213870553
Energy: 2.027193710269537
Energy: 1.8566670269409702
Energy: 2.890490463017633
Energy: 2.1341718453784786
Energy: 2.226887763469269
Energy: 1.8028317587876808
Energy: 1.7294892732421212
Energy: 2.0389723517926837
Energy: 2.1105921949379236
Energy: 2.5383794680857297
Energy: 2.6750448273064675
Energy: 1.8222239876409125
Energy: 2.1778381167135032
Energy: 2.356869805610013
Energy: 2.663855840935
Energy: 1.9581269426877832
Energy: 2.6302570940339876
Energy: 2.3194553031092395
Energy: 2.1675787240745676
Energy: 2.651227235715864
Energy: 2.340562382239213
Energy: 2.0666053137887612
Energy: 2.4325962548893756
Energy: 2.6282141892988498
Energy: 2.300611503108111
Energy: 2.559563248054133
Energy: 2.1567470560232485
Energy: 1.9435515109561754
Energy: 2.0096359690703727
Energy: 2.639021682039947
Energy: 1.9436964986304008
Energy: 2.3738295974151673
Energy: 2.0265591568324495
Energy: 1.936222023790333
Energy: 2.0049666184747554
Energy: 2.0676780620690627
Energy: 2.069510641570309
Energy: 2.2617125641133637
Energy: 1.9743847351692692
Energy: 2.0151461786158444
Energy: 2.1573189919191647
Energy: 2.7139292204807237
Energy: 2.121097003708831
Energy: 2.4879360332724403
Energy: 2.0414349717601614
Energy: 2.402218057417775
Energy: 2.244712435721935
Energy: 2.573220642952458
Energy: 2.1448364958824326
Energy: 2.538592364572546
Energy: 2.036160012632519
Energy: 2.1545536017510476
Energy: 2.3602886833576355
Energy: 2.4863706284777325
Energy: 1.9891183730654898
Energy: 2.4944631431066138
Energy: 2.306179594237753
Energy: 2.41866149870827
Energy: 2.4329946275657752
Energy: 2.355284003278637
Energy: 2.367735974972805
Energy: 2.3796314106388645
Energy: 2.4078860696634585
Energy: 1.993957333197531
Energy: 2.551832402960723
Energy: 2.347701798578209
Energy: 2.322120230551858
Energy: 2.355260062006848
Energy: 2.5390624135848703
Energy: 2.951034776945515
Energy: 2.2617972690943144
Energy: 2.033252644067196
Energy: 2.0480680471890396
Energy: 2.046082553297359
Energy: 2.6145543302674032

minimum gb energy = 1.7294892732421212 eV
minimum distance =  2.30861899757234 Angstroms
sigma value = 43


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

Energy: 3.677763993269512
Energy: 2.103438945520909
Energy: 2.1837276217317676
Energy: 2.311753288561359
Energy: 2.1675987069327003
Energy: 2.7535292214524762
Energy: 1.8624536673082888
Energy: 1.9481737073881127
Energy: 1.9786173926722797
Energy: 1.9125143792821204
Energy: 1.9373223529115153
Energy: 2.257097469395823
Energy: 2.3731444348089163
Energy: 2.3594024139956344
Energy: 1.979127160904024
Energy: 1.8959360236181109
Energy: 2.0721789658110565
Energy: 2.392703522163551
Energy: 2.130458710564965
Energy: 2.5576115589580826
Energy: 2.1224292201338426
Energy: 2.042233704091398
Energy: 2.4001430940195894
Energy: 2.283993294797006
Energy: 2.297959321069585
Energy: 2.5612707835916617
Energy: 2.5336324991909613
Energy: 2.053492552428313
Energy: 2.5838908941434857
Energy: 2.628664078769329
Energy: 1.9861743156064968
Energy: 1.847075418732449
Energy: 2.7312718357334163
Energy: 2.505094741310664
Energy: 2.801523985908172
Energy: 1.989666680643639
Energy: 1.802718112373306
Energy: 1.8319832614321174
Energy: 2.3011502192530213
Energy: 2.0004856451226276
Energy: 2.113827062455718
Energy: 1.8516055491970016
Energy: 1.8144473056093164
Energy: 1.891017940883986
Energy: 2.302292109824184
Energy: 2.0138689119467332
Energy: 1.8245983433218034
Energy: 1.8450789280166113
Energy: 1.9573286585253171
Energy: 1.8019422562972491
Energy: 2.7452166589655547
Energy: 1.7789747827273181
Energy: 2.40167439184536
Energy: 2.098330116576919
Energy: 2.448991297047362
Energy: 2.5361596602424874
Energy: 2.591693490113337
Energy: 1.9301748857681378
Energy: 2.6266198390332436
Energy: 1.8262222505113668
Energy: 2.8614572556989564
Energy: 2.571538780953379
Energy: 2.0819395298771894
Energy: 1.9789795911249923
Energy: 2.641240865813196
Energy: 2.3923312631360734
Energy: 2.372973225697713
Energy: 2.5782219860244986
Energy: 1.9703411739653405
Energy: 1.8901752776250302
Energy: 2.013183626615673
Energy: 2.70101364565049
Energy: 1.8849186595224006
Energy: 1.8891079805672542
Energy: 1.9901809770471903
Energy: 1.9032303315333714
Energy: 1.979570731605806
Energy: 2.9515355974221804
Energy: 2.8988868801642096
Energy: 1.9965233361534194
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Energy: 2.0165388527332824
Energy: 1.9916486565163776
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Energy: 1.9468615294962681
Energy: 1.8964367178592518
Energy: 2.2740943099413897
Energy: 2.292534171277342
Energy: 2.332098753908248
Energy: 1.9070962369125872
Energy: 2.231735773324506
Energy: 2.492495892289513
Energy: 2.27825061477454
Energy: 1.883743974583639
Energy: 1.9029718332883627
Energy: 1.936921018554072
Energy: 2.2682213683011683
Energy: 2.301399998607646
Energy: 1.9783135090900732
Energy: 2.223588258577122
Energy: 2.7411034502318157
Energy: 2.249940983834534
Energy: 2.2783154109742436
Energy: 1.950598707757461
Energy: 2.3140342744160454
Energy: 1.871385053930643
Energy: 2.350449670226842
Energy: 1.9220747705499852
Energy: 2.258023981265701
Energy: 2.4077863677743774
Energy: 2.9464937962198694
Energy: 1.8117642728759824
Energy: 2.1028770136974066
Energy: 2.2816697432642252
Energy: 1.9135509798404708
Energy: 2.004421922754798
Energy: 1.9434643534648954
Energy: 1.853804352776852
Energy: 1.937914174003003
Energy: 1.974029137138377
Energy: 1.8929239159559783
Energy: 1.8982506818272535
Energy: 1.7835884736170247
Energy: 2.232074432926688
Energy: 1.9883404957473334
Energy: 1.9407515664888526
Energy: 2.0519888204524728
Energy: 2.003638762620729
Energy: 2.5502237971040267
Energy: 2.2218170856003154
Energy: 2.5822138441822844
Energy: 2.084898025664779
Energy: 2.0320939827682594
Energy: 2.504188249741267
Energy: 2.557361534697226
Energy: 1.9214901617102176
Energy: 2.5692931750803774
Energy: 2.881742337471684
Energy: 2.542990102048949
Energy: 2.4621987449366736
Energy: 2.0252959838123505
Energy: 1.9998885863347757
Energy: 1.9953727205411682
Energy: 2.7416062883448014
Energy: 1.9874562795822301
Energy: 1.976988613314283
Energy: 1.9660587140764987
Energy: 1.8189113324419752
Energy: 1.8642806199029491
Energy: 2.7973518558389894
Energy: 1.9768281399460788
Energy: 2.2800026739360564
Energy: 1.8401406344974636
Energy: 1.784176129338136
Energy: 1.947057181012928
Energy: 2.7604751925826356
Energy: 2.253648969125988
Energy: 2.5021088127030424
Energy: 1.9664678633520603
Energy: 1.9520289144040264
Energy: 2.00533676441772
Energy: 2.2710995612580964
Energy: 1.9277636089864083
Energy: 2.482692681878202
Energy: 2.157480851020347
Energy: 2.2613734044003606
Energy: 2.576874327586957
Energy: 2.2919288274916143
Energy: 2.041047408514844
Energy: 1.9499776140075038
Energy: 2.2822042383318326
Energy: 1.7774919846869868
Energy: 2.565044646023431
Energy: 2.0940589349481917
Energy: 1.8940562288139153
Energy: 1.9589354699092696
Energy: 2.5614136145790765
Energy: 2.378622079087915
Energy: 1.945594087665688
Energy: 1.9409227700822869
Energy: 1.8970254145216792
Energy: 1.9045733460123087
Energy: 1.9538653544891422
Energy: 1.8389979214043086
Energy: 1.9165444324597138
Energy: 1.9247135364735402
Energy: 2.163069236823893
Energy: 2.068275639747087
Energy: 2.8851836571990477
Energy: 2.0985105925261136
Energy: 2.1310353795614123
Energy: 2.024022851232576
Energy: 2.291832274150211
Energy: 2.2610902982892647
Energy: 2.296797887718808
Energy: 1.9189272234138495
Energy: 2.3346736741926577
Energy: 2.254289087917031
Energy: 2.266025511195368
Energy: 2.277022995602277
Energy: 2.009101502105165
Energy: 2.4366709313883748
Energy: 2.254410395854235
Energy: 1.9163599134275067
Energy: 2.2006331789371902
Energy: 2.387291498846663
Energy: 1.9721274770821924
Energy: 2.2561908695260504
Energy: 2.3075628903060887
Energy: 1.965627311864509
Energy: 1.840697881944342
Energy: 2.262996074144566
Energy: 1.943028917677669
Energy: 1.9133509356919423
Energy: 2.2914986424096764
Energy: 2.502738169144057

minimum gb energy = 1.7774919846869868 eV
minimum distance =  2.32056604662787 Angstroms
sigma value = 81


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

Energy: 1.6176263977395418
Energy: 2.3287040581150893
Energy: 2.233749233764587
Energy: 2.2332377407874864
Energy: 2.3313459399094585
Energy: 1.6178479403904606
Energy: 2.061300076784529
Energy: 2.0585279943043924
Energy: 1.8462264303484577
Energy: 1.7026763266131693
Energy: 1.786872487386491
Energy: 2.0834648701191956
Energy: 2.0443067888644912
Energy: 2.080116843699786
Energy: 1.7685571673839215
Energy: 1.6425759100642778
Energy: 1.872609669445513
Energy: 2.116076661659282
Energy: 2.120370929145794
Energy: 2.056085138057828
Energy: 1.842306776542735
Energy: 1.8206186508847115
Energy: 2.062662948925371
Energy: 2.055206545488907
Energy: 2.1286235806436924
Energy: 2.0560317852106396
Energy: 2.0832220183069894
Energy: 1.6178399107130488
Energy: 2.044628477838462
Energy: 2.0735704930948944
Energy: 1.7894448228161528
Energy: 2.3918995658192346
Energy: 1.6188094229114118
Energy: 1.6177314596758803
Energy: 2.063811927197233
Energy: 1.9824798472461005
Energy: 1.6735100693859981
Energy: 1.6765548124234424
Energy: 2.0570202075036437
Energy: 2.0648585544539992
Energy: 2.3205761747137443
Energy: 1.703092912829682
Energy: 1.6670434250276578
Energy: 1.8262081600708426
Energy: 2.0834209215670363
Energy: 2.0597551387515325
Energy: 2.2933651794903622
Energy: 1.694835795150685
Energy: 1.9611394582020907
Energy: 1.763320506935958
Energy: 2.078151261650763
Energy: 2.1629839131033295
Energy: 2.0517719412379316
Energy: 1.7072283042899103
Energy: 1.6181070075926223
Energy: 2.051965051261551
Energy: 2.069733425577559
Energy: 2.1059262306607596
Energy: 2.024616014758159
Energy: 2.068614761207516

minimum gb energy = 1.6176263977395418 eV
minimum distance =  2.44214943125137 Angstroms
sigma value = 3


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

Energy: 3.79707784083425
Energy: 3.135818546630927
Energy: 2.5054151620043186
Energy: 2.489985469268314
Energy: 2.5061001643927168
Energy: 2.858241326956724
Energy: 2.2781996722286255
Energy: 2.3521115090945197
Energy: 2.1895677490511494
Energy: 2.1401063670564557
Energy: 2.3619830517087306
Energy: 2.299499352841044
Energy: 2.197740663970537
Energy: 2.1884607368387585
Energy: 2.1731261526733467
Energy: 2.117013471081451
Energy: 2.342955146278899
Energy: 2.255402971856154
Energy: 2.124421420370778
Energy: 2.195562603619468
Energy: 2.344984215049586
Energy: 2.280197822821915
Energy: 2.321798906400321
Energy: 2.1892100442782554
Energy: 2.1581288850427107
Energy: 2.186051340133043
Energy: 2.200065088759644
Energy: 2.4952734724179026
Energy: 2.37465143631215
Energy: 2.213838211598918
Energy: 2.3004102401846613
Energy: 2.3707406687484305
Energy: 2.3381316330734854
Energy: 1.7663263219786904
Energy: 2.2035165603066047
Energy: 2.313800598341796
Energy: 2.461923568109355
Energy: 2.268975035773871
Energy: 2.5295845510303123
Energy: 1.8955221527266553
Energy: 2.5755060878401563
Energy: 2.1758720132779654
Energy: 2.463818491870611
Energy: 2.4720151847769163
Energy: 1.9270233179226608
Energy: 1.8855289848276258
Energy: 1.9664468813139357
Energy: 2.156929546280722
Energy: 2.549177438435727
Energy: 2.0320524909788777
Energy: 1.9552814660720614
Energy: 1.858427919384351
Energy: 2.0555655062477913
Energy: 2.6252029749215757
Energy: 2.7034371934696533
Energy: 2.3129931491829936
Energy: 1.988732879793085
Energy: 1.9013572389094398
Energy: 2.0909300140602856
Energy: 2.355335077265759
Energy: 2.732885857641005
Energy: 2.242880037250013
Energy: 2.490055124754645
Energy: 1.9835188115381324
Energy: 2.877646155910743
Energy: 2.033568762799096
Energy: 2.3059346721114315
Energy: 2.6667319441108708
Energy: 1.9969290090953142
Energy: 2.5949381443637107
Energy: 2.038709550519966
Energy: 2.286723989792859
Energy: 1.9216923067002973
Energy: 1.935539719227879
Energy: 1.9630457668825227
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Energy: 1.7458448981153163
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Energy: 1.8733857287191877
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Energy: 2.2624574650702165
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Energy: 1.9778134641143907
Energy: 1.8861751178785129
Energy: 1.9110199029437074
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Energy: 1.9782357671129391
Energy: 2.5983834600831357
Energy: 2.0803839882223394
Energy: 1.9284307282598476
Energy: 1.9214558754916806
Energy: 2.656854922462037
Energy: 1.871089789278736
Energy: 2.6373617603225052
Energy: 2.5289302301335472
Energy: 1.938781758587094
Energy: 2.8795353080286388
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Energy: 2.040450292059903
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Energy: 2.0211023405647297
Energy: 1.726270040115455
Energy: 2.813777314094923
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Energy: 2.6999112936007355
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Energy: 2.242094615062601
Energy: 2.2856656202679364
Energy: 2.2047939403892127
Energy: 2.4319094930563936
Energy: 1.964137475130172
Energy: 2.149816583386165
Energy: 2.2699881143399425
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Energy: 2.1842897284076983
Energy: 2.320577074231218
Energy: 2.0946094688019388
Energy: 2.1796646537001454
Energy: 2.2467179812744793
Energy: 2.261663908963253
Energy: 2.2886301118296437
Energy: 2.2973384590405463
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Energy: 2.2538641068315846
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Energy: 2.6094966781850224
Energy: 2.3712337235465717
Energy: 2.5643805206043377
Energy: 2.5446569528227374
Energy: 2.6250864906989713
Energy: 1.8809229824429656
Energy: 1.9508329852262913
Energy: 2.084729718768829
Energy: 2.5037481990052695
Energy: 2.585184925510727
Energy: 2.3820264436923355
Energy: 1.9074536303528917
Energy: 1.853480262052258
Energy: 1.9373159525488644
Energy: 2.563345627237509
Energy: 2.5832417828979977
Energy: 2.118587758599916
Energy: 1.9020497243445726
Energy: 1.8616414654681137
Energy: 2.065557674781677
Energy: 2.1786235422356715
Energy: 2.74744400981433
Energy: 2.423135601518792
Energy: 1.9179039319807183
Energy: 1.9228584033506593
Energy: 1.9124018107141592
Energy: 2.6949719715243297
Energy: 2.735157061217636
Energy: 1.9306820322590597
Energy: 2.294483883491097
Energy: 2.723579514186427
Energy: 2.30112126901262
Energy: 2.301435101066209
Energy: 2.0487406950436724
Energy: 1.8465734625927708
Energy: 2.7415210127309932
Energy: 1.8308482761847407
Energy: 2.810638220922411
Energy: 1.8892782814947766
Energy: 1.8286540550394914
Energy: 1.8307691891279365
Energy: 1.8431902510379798
Energy: 2.6430008872653796
Energy: 1.8292373906986306
Energy: 1.9149665401250069
Energy: 1.8591156612582795
Energy: 1.8454798941347799
Energy: 2.3883378478778567
Energy: 2.5577404720658974
Energy: 1.884972344808227
Energy: 1.8536533280498102
Energy: 1.8843515723463815
Energy: 1.8956901613365302
Energy: 2.6113482104916295
Energy: 2.141444839156567
Energy: 2.609325942185799
Energy: 1.8844789788340452
Energy: 2.283257932681407
Energy: 2.2072746139125026
Energy: 2.221105701580453
Energy: 2.5438163588309055
Energy: 2.274785621388677
Energy: 2.214340367853532

minimum gb energy = 1.726270040115455 eV
minimum distance =  2.30511200859313 Angstroms
sigma value = 67


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

Energy: 2.7573982223281357
Energy: 2.9621605767817636
Energy: 2.62701705330545
Energy: 2.4473421000092865
Energy: 2.553550268027002
Energy: 3.0344068556588746
Energy: 2.383674441529346
Energy: 2.4965284561922068
Energy: 2.2517553438175657
Energy: 2.167771163737683
Energy: 2.371984873883996
Energy: 2.578820822734774
Energy: 2.204864620862156
Energy: 2.082822367815129
Energy: 2.27859785634996
Energy: 2.1703956870954904
Energy: 2.330758734240595
Energy: 2.3325353478496322
Energy: 2.2087291208603066
Energy: 2.3352747508106706
Energy: 2.2891137530178214
Energy: 2.274339159431277
Energy: 2.141652455868839
Energy: 2.2734382603131955
Energy: 2.18088714000657
Energy: 2.2848036376791856
Energy: 2.4826850788983905
Energy: 2.469593840998324
Energy: 2.098410236118826
Energy: 2.230712126613826
Energy: 2.311348863743449
Energy: 2.4070918816552704
Energy: 2.845902611378915
Energy: 1.9568979987972828
Energy: 2.3706425662987898
Energy: 2.3813091743694836
Energy: 2.5836093385713337
Energy: 2.328233013586762
Energy: 2.7285010122709368
Energy: 2.0730859897786917
Energy: 2.642199311168713
Energy: 2.246984000127212
Energy: 2.605853405285055
Energy: 2.3146100827986373
Energy: 2.113625748425483
Energy: 2.0144631449104486
Energy: 2.153169608835785
Energy: 2.349844579877766
Energy: 2.459673256627666
Energy: 2.3048099442417436
Energy: 2.0144034893272234
Energy: 1.9379044520444153
Energy: 2.0726592667574653
Energy: 2.5254073030629627
Energy: 2.6377788262695248
Energy: 2.1816055154164946
Energy: 2.0447101255579185
Energy: 1.982283932677127
Energy: 1.8187538322786985
Energy: 1.8481233294743258
Energy: 2.821549953299228
Energy: 2.6505640735796683
Energy: 2.3501688844256976
Energy: 1.9985492664133384
Energy: 2.6383573615800158
Energy: 1.8448625294663168
Energy: 2.3365550095313043
Energy: 1.9871545683888099
Energy: 1.8909051705013775
Energy: 3.0804361841913837
Energy: 2.374884858812205
Energy: 2.677746842188877
Energy: 2.1793059741914913
Energy: 1.9710264356948635
Energy: 1.8503647951498405
Energy: 2.769643474179962
Energy: 2.135653866270767
Energy: 1.9288640100468193
Energy: 2.1453744882288226
Energy: 2.1725747037527996
Energy: 2.2587524489401853
Energy: 2.308578325323737
Energy: 2.324043921831109
Energy: 1.8478601724500228
Energy: 2.1487306453397936
Energy: 1.9691496727127253
Energy: 2.3244783958283444
Energy: 2.252070737052706
Energy: 2.5281823237553827
Energy: 1.8435172355166418
Energy: 2.247308698038825
Energy: 2.2201490836680398
Energy: 2.3490085002704273
Energy: 2.242058154099502
Energy: 2.4123096303370097
Energy: 2.3342772725912244
Energy: 2.698310032537293
Energy: 1.9687372458658094
Energy: 2.3459047165347675
Energy: 2.325172000895381
Energy: 2.4364878797880265
Energy: 2.0386379704682467
Energy: 2.910691545031449
Energy: 2.0206199685333934
Energy: 2.540854990472829
Energy: 2.464103477091162
Energy: 2.3900781341960946
Energy: 1.9342018616310246
Energy: 2.0220013811985087
Energy: 2.1223416883345587
Energy: 2.6693499954495055
Energy: 2.2983522700680767
Energy: 2.82156654077702
Energy: 2.0516828234161384
Energy: 1.8684002899496734
Energy: 1.9958274488303527
Energy: 2.4161990406796767
Energy: 2.6083611524194588
Energy: 2.5716950052195466
Energy: 1.9374874817956067
Energy: 1.871645529911162
Energy: 2.0070391180699376
Energy: 2.4107321843797354
Energy: 2.5452523432766077
Energy: 2.0899121031968737
Energy: 1.932687284310865
Energy: 1.958265305448953
Energy: 2.0856842780976406
Energy: 2.303363459026957
Energy: 2.1681613998112703
Energy: 2.274966158614279
Energy: 2.028334660250295
Energy: 2.618746472734602
Energy: 2.360263287646853
Energy: 2.2554059929414905
Energy: 2.595084008263547
Energy: 2.430397799068605
Energy: 2.4484459526007303

minimum gb energy = 1.8187538322786985 eV
minimum distance =  2.27111089740372 Angstroms
sigma value = 33


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

Energy: 3.720038822928038
Energy: 2.5027923277593693
Energy: 2.424317737163558
Energy: 2.4503491766829826
Energy: 2.4086815749168715
Energy: 2.885336629597555
Energy: 2.15705165611573
Energy: 2.1542794623253867
Energy: 2.348455560226294
Energy: 2.2440970806841003
Energy: 2.5190076688516365
Energy: 2.290995758755288
Energy: 1.9392384877727993
Energy: 2.163992808615039
Energy: 2.390189331286932
Energy: 2.081566497440908
Energy: 2.3948509853681026
Energy: 2.0070008424496546
Energy: 1.939438579197702
Energy: 2.0617253002765485
Energy: 2.263791824922441
Energy: 2.2831820888232666
Energy: 2.110410763885994
Energy: 1.992318366950158
Energy: 1.9335867547212453
Energy: 2.037491702179846
Energy: 2.460948769185001
Energy: 2.4379318121284017
Energy: 2.238461333219762
Energy: 2.074920014474922
Energy: 2.1042529402084718
Energy: 2.200734445752396
Energy: 2.5213403552478155
Energy: 2.2819115194231054
Energy: 2.789611336132839
Energy: 2.1943527120400663
Energy: 2.680950347465291
Energy: 2.1006415356539487
Energy: 2.5221448834772366
Energy: 2.4399908097108334
Energy: 2.4562187192034997
Energy: 2.1093206099810557
Energy: 2.9430499565287236
Energy: 2.0567210451770466
Energy: 1.972586431864458
Energy: 1.9645340938773872
Energy: 2.1772250108422155
Energy: 2.1649386570446687
Energy: 2.277764715294402
Energy: 2.1881777151029294
Energy: 2.0224511542059864
Energy: 1.9195489333059623
Energy: 2.0884538307509595
Energy: 2.213077421484981
Energy: 2.2406157593827887
Energy: 2.2310987655387504
Energy: 2.0166542864918235
Energy: 1.9113039466612034
Energy: 2.0929062430962504
Energy: 2.3417276739329766
Energy: 2.2670001418620647
Energy: 2.434553417799991
Energy: 2.2213073918150354
Energy: 1.9594287849335936
Energy: 2.446495014157225
Energy: 2.3937286926613903
Energy: 2.265810765439539
Energy: 2.352227381183541
Energy: 1.892677376459532
Energy: 2.3985379770911557
Energy: 2.024221499791691
Energy: 2.3472712709731347
Energy: 2.512811066509227
Energy: 2.4760394436703406
Energy: 1.9203843081166219
Energy: 2.516904433392806
Energy: 1.8683108698849742
Energy: 2.645053804938501
Energy: 2.4619435554722213
Energy: 2.447205993534705
Energy: 1.8595433574637545
Energy: 1.7980466027898445
Energy: 2.826814268364193
Energy: 2.6167145767103417
Energy: 2.424844606266968
Energy: 2.266306206110641
Energy: 1.9002378496451238
Energy: 1.7950901812611322
Energy: 2.0198680189699236
Energy: 2.301217472180672
Energy: 2.467715920588144
Energy: 1.9725286388537713
Energy: 1.8634192758135226
Energy: 1.7862333588348838
Energy: 1.8943561170766767
Energy: 2.6862401402630525
Energy: 2.302356970024485
Energy: 2.4251225837388195
Energy: 1.9082386042746204
Energy: 1.8253673748899935
Energy: 2.0195246589537943
Energy: 2.358219112871249
Energy: 2.564697461991026
Energy: 2.487858008291361
Energy: 2.9397356814415816
Energy: 2.098724503725678
Energy: 2.030739395590885
Energy: 2.2964101011253124
Energy: 2.378660244243244
Energy: 2.4402030869068865
Energy: 2.965305519639943
Energy: 2.0637629793252614
Energy: 2.5208065424910844
Energy: 2.368338375281219
Energy: 2.240371418416454
Energy: 2.2669667177620494
Energy: 2.2213242615202917
Energy: 2.357086662038403
Energy: 2.2102846942548307
Energy: 2.296826993501294
Energy: 2.0984327355902748
Energy: 2.4215517204333206
Energy: 2.1273048790710423
Energy: 1.9660840260930166
Energy: 2.1359811834984357
Energy: 2.385177421541487
Energy: 2.2586711161031165
Energy: 2.387421157557568
Energy: 2.0327450881044573
Energy: 1.9431893660924693
Energy: 2.067738568952538
Energy: 2.380086211183889
Energy: 2.176348067288581
Energy: 2.192354366211355
Energy: 2.009005673537296
Energy: 1.9175127014424262
Energy: 2.110025803396731
Energy: 2.411772396503369
Energy: 3.163807528816033
Energy: 2.9167658563368497
Energy: 2.1292134591389624
Energy: 2.16299393211893
Energy: 2.161346753496883
Energy: 2.7626599781106163
Energy: 2.471750977606258
Energy: 2.457921382320763
Energy: 2.0012329325878917
Energy: 2.6837276719951717
Energy: 2.1224264029475997
Energy: 2.475831432639529
Energy: 1.9880274755384109
Energy: 2.0534190080887385
Energy: 2.1732382969806068
Energy: 2.5794747424637516
Energy: 2.066829470868907
Energy: 2.0586652053380066
Energy: 1.9067719536425691
Energy: 2.0583282645797327
Energy: 2.2507217502600345
Energy: 2.375162974776519
Energy: 2.0331410384493442
Energy: 2.003212774976633
Energy: 1.9090656451225458
Energy: 2.1223830432366775
Energy: 2.380510238757097
Energy: 2.246909417531337
Energy: 2.180969965662358
Energy: 2.021926824788952
Energy: 1.952989915789614
Energy: 2.1940836706046833
Energy: 2.39599995202019
Energy: 2.292269422685453
Energy: 2.4732193592236076
Energy: 2.0313157862361635
Energy: 2.5665497232635954
Energy: 1.9051066837384905
Energy: 2.359725333765303
Energy: 2.2662246244356496
Energy: 2.364700504136692
Energy: 1.9651686700077353
Energy: 2.5170307513601804
Energy: 1.9130912213494062
Energy: 2.6533468513077882
Energy: 2.5101179494590617
Energy: 2.4988450239113815
Energy: 1.9793592032715368
Energy: 1.9027384454476044
Energy: 2.0330839724458936
Energy: 2.427095416863628
Energy: 2.5333962187731327
Energy: 2.4786591161348217
Energy: 1.9298097686236604
Energy: 1.795306010825951
Energy: 1.89453446961682
Energy: 2.430377899749908
Energy: 2.437928279387945
Energy: 2.375429110421775
Energy: 1.8246530053426038
Energy: 1.7788207937258278
Energy: 1.8862063127195592
Energy: 2.1264377369190193
Energy: 2.465929080938565
Energy: 1.998141929365961
Energy: 1.8449375257922758
Energy: 1.8282708788002033
Energy: 1.9488745377149927
Energy: 2.3805170723781464
Energy: 2.5887050417964104
Energy: 2.0280912913555236
Energy: 1.8745133788314543
Energy: 1.818326230703728
Energy: 2.865910465898806
Energy: 2.3623532470497586
Energy: 2.6083760207167477
Energy: 2.488309250464077
Energy: 1.8846520480310285
Energy: 2.6305964627320515
Energy: 2.167854886201261
Energy: 2.4090078961053916
Energy: 2.3740731082038162
Energy: 2.6681036184563762
Energy: 2.159666771872983

minimum gb energy = 1.7788207937258278 eV
minimum distance =  2.25675904544996 Angstroms
sigma value = 41


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

Energy: 2.583510182789264
Energy: 2.573886985382216
Energy: 1.9444326630214908
Energy: 1.8901707562454748
Energy: 1.9803183407276437
Energy: 2.5725265173864913
Energy: 1.8643050750508656
Energy: 1.8048476175914077
Energy: 2.035010235340706
Energy: 1.9046267459308306
Energy: 2.032499990069995
Energy: 1.941103783273418
Energy: 1.8922623374402516
Energy: 1.8311425347664794
Energy: 1.918143477634961
Energy: 1.5560603515967781
Energy: 1.789879050890725
Energy: 1.9159077332592926
Energy: 2.0679625700757125
Energy: 2.126373646589778
Energy: 1.762842345919039
Energy: 1.8861176733560285
Energy: 1.7348614519186676
Energy: 2.1326746338561993
Energy: 1.904034400431787
Energy: 1.9003663967602697
Energy: 1.776707320470296
Energy: 1.8696595381971681
Energy: 1.8193946923501152
Energy: 1.9136596662447702
Energy: 1.866210748628146
Energy: 1.9237654760842953
Energy: 2.6371767700464916
Energy: 1.9164014538243335
Energy: 2.555760547434759
Energy: 1.870728604907452
Energy: 2.208371211293831
Energy: 1.9548006638222333
Energy: 1.772034932825749
Energy: 1.8879550652926331
Energy: 2.3771399727523868
Energy: 2.195702688568377
Energy: 2.201488114078479
Energy: 2.143986350937427
Energy: 1.9905892165432624
Energy: 1.8667731081312933
Energy: 1.7985507125168199
Energy: 2.5766550532162276
Energy: 1.8738968120118524
Energy: 1.7523016429770806
Energy: 1.9618182930639019
Energy: 1.5592834321063689
Energy: 1.7641858457898494
Energy: 1.909489801907787
Energy: 1.8806047816003102
Energy: 1.762670416668309
Energy: 1.8352555405824211
Energy: 1.9162735169854008
Energy: 1.8229216660347272
Energy: 1.891874546773664
Energy: 1.912639653109476
Energy: 2.1938860222848233
Energy: 1.819741606719864
Energy: 1.870585621628571
Energy: 1.7802353165017661
Energy: 1.9473923923841576
Energy: 1.868313750121506
Energy: 1.8794078105718917
Energy: 1.9017489065942144
Energy: 1.8857577418241631
Energy: 1.8578834052779698
Energy: 1.9207238401274633
Energy: 1.9063288092834083
Energy: 1.8692205239162416
Energy: 2.0597615275584986
Energy: 1.8974653906402703
Energy: 1.746596210668556
Energy: 1.9735423995299826
Energy: 2.1845595044506916
Energy: 2.1636590311161963
Energy: 1.9786622068926483
Energy: 1.8710232769051682
Energy: 1.9403728890638166
Energy: 2.5691849268002294

minimum gb energy = 1.5560603515967781 eV
minimum distance =  2.26306131251666 Angstroms
sigma value = 11


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

Energy: 3.0270852777928634
Energy: 2.242895558962341
Energy: 2.256596438658503
Energy: 2.328390037064144
Energy: 2.244797337554092
Energy: 2.9208272174670675
Energy: 1.9284065041100211
Energy: 2.206251248264685
Energy: 2.184360827594133
Energy: 2.283665413993269
Energy: 2.289577402240739
Energy: 1.9820906052004212
Energy: 1.9235849888197563
Energy: 2.004929605882025
Energy: 2.6463826117004685
Energy: 2.315143216153296
Energy: 2.267155909508517
Energy: 1.9606805384886195
Energy: 1.9224307260716786
Energy: 2.032014876869813
Energy: 2.2597575875173033
Energy: 2.1686624624767408
Energy: 2.067676916541905
Energy: 1.9805578794529768
Energy: 1.9154589513244036
Energy: 2.0178016228627333
Energy: 2.2784236621385348
Energy: 2.176549636744677
Energy: 2.174290962146711
Energy: 1.98756996731173
Energy: 1.918662033922717
Energy: 2.2532594639590102
Energy: 2.633139278131633
Energy: 2.3899347812182743
Energy: 2.660769893329973
Energy: 1.9457606099168812
Energy: 2.244474487321182
Energy: 2.2086569942800183
Energy: 2.165480310090645
Energy: 2.171934597289735
Energy: 2.459262551474777
Energy: 2.324639388426583
Energy: 2.2943432303973887
Energy: 2.217609750493426
Energy: 2.072565577148681
Energy: 2.0792112256369855
Energy: 2.4226623025901635
Energy: 2.1900760528022722
Energy: 1.9557146637746388
Energy: 2.1894762309606604
Energy: 2.6406086862522145
Energy: 2.209856408996924
Energy: 2.5911612757749696
Energy: 1.9522907249025472
Energy: 2.019116266167016
Energy: 2.16214922918338
Energy: 2.2853939775807746
Energy: 2.235756736791812
Energy: 2.284403522409332
Energy: 2.0799220084075336
Energy: 2.059058920671068
Energy: 2.181142443109413
Energy: 2.118492263601329
Energy: 2.0218155647250873
Energy: 2.277566752281407
Energy: 2.1621632668289523
Energy: 2.01594011453495
Energy: 2.1937291042691442
Energy: 2.1904854302983727
Energy: 2.049877874642201
Energy: 2.2179548852268263
Energy: 2.0994018808222745
Energy: 2.2239960226155064
Energy: 2.301866469012391
Energy: 2.1751744993121673
Energy: 2.0243161273854833
Energy: 2.1842314755172563
Energy: 2.037177657342283
Energy: 2.3994705505132368
Energy: 2.670957849748704
Energy: 2.08446199440576
Energy: 2.050094598620555
Energy: 2.070528687854181
Energy: 2.4963932014093353
Energy: 2.100920834833223
Energy: 2.3629045257703423
Energy: 2.1222270667662855
Energy: 1.9298222714719444
Energy: 2.2481480597333365
Energy: 2.18359116046795
Energy: 2.33998611205556
Energy: 2.2287505276474793
Energy: 3.0305112835812307
Energy: 2.2831702985258713
Energy: 2.523476400608669
Energy: 2.2182461460798146
Energy: 2.1627998238003046
Energy: 2.389432784747392
Energy: 2.202217086594809
Energy: 1.9193398902137848
Energy: 2.238982773355474
Energy: 2.190701208328372
Energy: 2.3409800593223906
Energy: 2.64334494193382
Energy: 1.9573686807972037
Energy: 1.9325235310624096
Energy: 2.2740927569553886
Energy: 2.329762279972195
Energy: 2.1594568772474942
Energy: 2.16327229339065
Energy: 2.020422198609756
Energy: 1.9266974477334806
Energy: 2.03677167592181
Energy: 2.2483894112535516
Energy: 2.165096742106034
Energy: 2.178854499641959
Energy: 1.974428585065353
Energy: 1.929554851250566
Energy: 2.0797255300323645
Energy: 2.1854399652886225
Energy: 2.1722876398849316
Energy: 2.6475254281014053
Energy: 1.983215748131682
Energy: 1.928902148362807
Energy: 2.2342169338392748
Energy: 2.6463528455894627
Energy: 2.1559914376035447
Energy: 2.1439686284175643
Energy: 2.191234740099243
Energy: 2.235558846715556
Energy: 2.3112663510438316
Energy: 2.1515746928795485
Energy: 2.0741351020862098
Energy: 2.0219066034516207
Energy: 2.6358506378433826
Energy: 2.1708892846577323
Energy: 2.2587444795146254
Energy: 2.0166232157358444
Energy: 2.238422783554619
Energy: 2.57543579486066
Energy: 2.1631294852564977
Energy: 1.9234545491548007
Energy: 2.2090551827445912
Energy: 2.49674877636661
Energy: 2.2121974619669893
Energy: 2.304477064395011
Energy: 2.061543424572582
Energy: 2.030346895736946
Energy: 2.227901183839749
Energy: 2.2384947955435983
Energy: 2.0222894025605846
Energy: 2.3554952038494217
Energy: 2.1623681190522976
Energy: 2.048682881144918
Energy: 2.228364643074027
Energy: 2.1128902411171144
Energy: 2.039898793883772
Energy: 2.2288013169614502
Energy: 2.161881809093671
Energy: 2.042516860007668
Energy: 2.2056428624947957
Energy: 2.078163956916296
Energy: 2.038896559888341
Energy: 2.2011043081758186
Energy: 2.1112333051174765
Energy: 2.073397627418729
Energy: 2.3269697988522404
Energy: 2.1442630897468393
Energy: 2.04325068506836
Energy: 2.0686689706932855
Energy: 2.600472730083498
Energy: 2.3783443017856203
Energy: 2.362915866683211
Energy: 2.0530952204004445
Energy: 1.923534572361456
Energy: 2.085389090435855
Energy: 2.2012096214972487
Energy: 2.1615163981775987
Energy: 2.2780824342717327
Energy: 2.155910910077499
Energy: 2.2329959506564614
Energy: 2.1940845301254095
Energy: 2.1487171334211173
Energy: 2.2108834248317084
Energy: 2.2227254371718805
Energy: 2.3336240820649117

minimum gb energy = 1.9154589513244036 eV
minimum distance =  2.25456925207598 Angstroms
sigma value = 57


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

Energy: 3.145339643967308
Energy: 2.8514817631614404
Energy: 2.4199565291993066
Energy: 2.0994773275898697
Energy: 2.31010726353508
Energy: 2.9667044070010666
Energy: 1.9515388908163163
Energy: 2.155304033958389
Energy: 2.2993734774413457
Energy: 2.0153142650712943
Energy: 2.183237901677457
Energy: 2.0464866353588738
Energy: 1.9740119305770467
Energy: 2.2400069324322276
Energy: 2.4948865526662396
Energy: 2.0054989386889273
Energy: 2.1226049835362275
Energy: 1.9805350241500337
Energy: 1.969302917693498
Energy: 2.082926693271948
Energy: 2.360299615757837
Energy: 1.9466868056220443
Energy: 2.187160869376947
Energy: 2.021506852655869
Energy: 1.9554832314662454
Energy: 2.0351178987227554
Energy: 2.1970164797681404
Energy: 2.28105137077454
Energy: 2.1422997072165733
Energy: 1.9958101918386917
Energy: 1.9454267452989735
Energy: 2.1636597057635525
Energy: 2.4871100478725614
Energy: 2.0679705415882403
Energy: 2.5305436196570454
Energy: 1.9530716405247663
Energy: 2.0279897158619797
Energy: 2.1819183296568205
Energy: 2.0864252847454017
Energy: 1.9516442729909296
Energy: 2.2472532274864916
Energy: 2.2378430592816936
Energy: 1.9989737266919134
Energy: 2.189989130240249
Energy: 2.0238625989799646
Energy: 1.9762416261096565
Energy: 2.0761947212970386
Energy: 2.1219381853189985
Energy: 2.046598733965414
Energy: 2.1672220437061545
Energy: 2.1631807995379955
Energy: 2.1047360008455325
Energy: 2.1673867462192633
Energy: 2.106727046408355
Energy: 1.9837681507761515
Energy: 2.211326685843319
Energy: 2.229612664349623
Energy: 2.1324881775878244
Energy: 2.208561445582103
Energy: 1.9766109979522126
Energy: 1.979553516104137
Energy: 2.186359718791307
Energy: 2.1807104869315292
Energy: 1.991683561674371
Energy: 2.143083859113057
Energy: 2.3304169943590787
Energy: 1.9265077616007618
Energy: 2.1643213582449556
Energy: 2.0211410906629457
Energy: 1.9531926999431888
Energy: 2.0821502548112956
Energy: 1.9938993111747914
Energy: 1.9461845937160531
Energy: 2.242458113507599
Energy: 2.0488973041291256
Energy: 1.9538263762713883
Energy: 2.1618326295982824
Energy: 1.954494805044627
Energy: 2.1956608903108163
Energy: 2.202687776813661
Energy: 2.0290310327619943
Energy: 2.024121734622443
Energy: 2.14589890096238
Energy: 2.4791488092558933
Energy: 2.2580233420514744
Energy: 2.1731540700117455
Energy: 2.138011499936613
Energy: 2.15367229898262
Energy: 2.175312653827712
Energy: 2.068383235002932
Energy: 2.2185961637657665
Energy: 2.0098267136203005
Energy: 2.5131561398895057
Energy: 2.122478355585386
Energy: 2.443552726942086
Energy: 1.9727748493591915
Energy: 2.08028230030787
Energy: 2.1524292114018833
Energy: 2.2402541057669785
Energy: 2.0515864352919126
Energy: 2.1663438118407328
Energy: 1.9629092449731038

minimum gb energy = 1.9265077616007618 eV
minimum distance =  2.33411201500395 Angstroms
sigma value = 9


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

Energy: 4.690531107499544
Energy: 2.5621082369354635
Energy: 2.2265170241735492
Energy: 2.199970709200415
Energy: 2.333384611772095
Energy: 3.042454536065336
Energy: 2.1581190304677804
Energy: 2.50603056365845
Energy: 2.2450487302300286
Energy: 2.0620630811980973
Energy: 2.5792406456213026
Energy: 2.1922156320738972
Energy: 2.1209259114222134
Energy: 2.2469083823425846
Energy: 2.569061786180649
Energy: 2.6532903954090075
Energy: 2.5452227066547177
Energy: 2.1896346794985737
Energy: 2.1668462138358833
Energy: 2.3549897861761617
Energy: 2.27254466049663
Energy: 2.1380201834082726
Energy: 2.429823446783074
Energy: 2.2222350995822655
Energy: 2.220881914473937
Energy: 2.312905002960854
Energy: 2.3987701561094403
Energy: 2.1964164099127212
Energy: 2.2562538311806604
Energy: 2.3233584809315393
Energy: 2.108051986637482
Energy: 2.307917602079484
Energy: 2.3431872236186115
Energy: 2.2317380781493767
Energy: 2.364737385897703
Energy: 2.1371839010130054
Energy: 2.146399882629223
Energy: 2.5358228847935984
Energy: 2.2609550558549802
Energy: 2.2075786434740112
Energy: 2.2512662973206323
Energy: 2.447866202023414
Energy: 2.1708607162263815
Energy: 2.5413962479788976
Energy: 2.168571148221181
Energy: 2.0793904882842025
Energy: 2.6134586104667608
Energy: 2.2150586765716773
Energy: 2.0832395883830883
Energy: 2.2227001006026605
Energy: 2.3491133563545175
Energy: 2.109456112164162
Energy: 2.407784453301419
Energy: 2.117908067589964
Energy: 1.9819981000770714
Energy: 2.044156647600142
Energy: 2.362753778672941
Energy: 2.0991915552906306
Energy: 2.4223512132838234
Energy: 2.0143099834700933
Energy: 2.008908322670013
Energy: 2.4681021514847803
Energy: 2.1889848280535094
Energy: 2.0872563623754816
Energy: 2.258575444583075
Energy: 2.018538858715249
Energy: 1.9951680626018515
Energy: 2.744947618542495
Energy: 2.236470560433766
Energy: 2.0307127886988723
Energy: 2.05394097073932
Energy: 2.2820794620156417
Energy: 1.9733622168378768
Energy: 2.0885324096260978
Energy: 2.403072414547711
Energy: 2.157253440933044
Energy: 2.3531625403219336
Energy: 2.027152833384944
Energy: 2.106260855459185
Energy: 2.210340830593483
Energy: 2.4465725557764486
Energy: 2.16396067499185
Energy: 2.3011554109996966
Energy: 2.166276911891286
Energy: 2.206471478646735
Energy: 2.353576386310321
Energy: 2.288867447492153
Energy: 2.0295578988096152
Energy: 2.3580237896398715
Energy: 2.315821885145522
Energy: 2.1473035146431503
Energy: 2.343300180633902
Energy: 2.294599131802699
Energy: 2.3153293274728775
Energy: 2.330455347343943
Energy: 2.1981183781089473
Energy: 2.1209079934256363
Energy: 2.486053463568948
Energy: 2.2647945505472817
Energy: 2.169899065351033
Energy: 2.398485383453662
Energy: 2.1414026044851036
Energy: 2.684907917865013
Energy: 2.889475537695371
Energy: 2.1592793817235076
Energy: 2.109643532813049
Energy: 2.556246631075053
Energy: 2.9149801045893096
Energy: 2.1182869085260156
Energy: 2.514579602905532
Energy: 2.541271352134451
Energy: 2.1624077198821623
Energy: 2.6255177138165013
Energy: 2.2058051626541184
Energy: 2.1289995487248934
Energy: 2.1917756462231903
Energy: 2.8277417272924557
Energy: 2.075604216832516
Energy: 2.4257378627458652
Energy: 2.1877188314794767
Energy: 2.091665738323321
Energy: 2.6007718214770934
Energy: 2.1449683300599856
Energy: 2.172403546402136
Energy: 2.602869908397143
Energy: 2.212735787479488

minimum gb energy = 1.9733622168378768 eV
minimum distance =  2.33609241323319 Angstroms
sigma value = 27


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

Energy: 2.7632162568791254
Energy: 2.181524286497926
Energy: 2.133921468080158
Energy: 2.1012282606836896
Energy: 2.211135719534379
Energy: 3.445852390047883
Energy: 2.045809092356546
Energy: 2.3778619392062996
Energy: 2.2196965622617215
Energy: 2.0946450362204097
Energy: 2.681865263621429
Energy: 2.0606901640646242
Energy: 1.9858638264699393
Energy: 2.0963071571881473
Energy: 2.5463676712301138
Energy: 2.6140605877609757
Energy: 2.571523181419732
Energy: 2.064396327138077
Energy: 2.0009004158022092
Energy: 2.517334941972429
Energy: 2.035787066005146
Energy: 2.084048809641677
Energy: 2.515496734077541
Energy: 2.035999186334615
Energy: 2.142485741944494
Energy: 2.3500747099320054
Energy: 2.0838448593398256
Energy: 2.017224335155658
Energy: 2.137245027659189
Energy: 2.3286673299831517
Energy: 2.005122063289278
Energy: 2.3302357570817196
Energy: 2.097203379726067
Energy: 2.008334772964305
Energy: 2.181816597076576
Energy: 2.0336035516032913
Energy: 2.0175558957240782
Energy: 2.2139200926989018
Energy: 2.082900778972307
Energy: 2.065642514236112
Energy: 2.1231076351811793
Energy: 2.3658335008666485
Energy: 1.9897146674517578
Energy: 2.375650195431625
Energy: 2.097455187346933
Energy: 2.0336734672366763
Energy: 2.200200196752462
Energy: 2.3666717844977176
Energy: 1.9749467634482856
Energy: 2.088259398830749
Energy: 2.7108173770771242
Energy: 2.141678147265306
Energy: 2.1716034659718066
Energy: 2.0268765027485993
Energy: 2.0792795106581825
Energy: 2.2579757369327265
Energy: 2.772969183019261
Energy: 2.0981724908173085
Energy: 2.7886954868666276
Energy: 2.011870092652157
Energy: 2.0959359408747886
Energy: 2.6163114307218884
Energy: 2.0781473141726043
Energy: 2.0250975252638397
Energy: 2.1804940024093558
Energy: 2.792107006346431
Energy: 2.0056817143754033
Energy: 2.6821806299132542
Energy: 2.1267312580261564
Energy: 2.0148516582539893
Energy: 2.197399056053269
Energy: 2.0532524529065177
Energy: 2.0606705349694154
Energy: 1.9908520455871908
Energy: 2.072181338611872
Energy: 1.9779724901627558
Energy: 2.412054599091151
Energy: 2.1051834499895086
Energy: 2.0386787647380804
Energy: 2.1428040632039966
Energy: 2.722958778103029
Energy: 2.0552188807995107
Energy: 2.7526263464715814
Energy: 2.0849422283855055
Energy: 2.1117334068855316
Energy: 2.453887922857438
Energy: 1.9954882808423675
Energy: 2.0114435754512874
Energy: 2.1085821989300184
Energy: 2.5644090336771868
Energy: 2.0569050386568533
Energy: 2.573267656759122
Energy: 2.0621916230778616
Energy: 1.9889431295811688
Energy: 2.325212435949491
Energy: 2.0433675423040687
Energy: 2.0361497797545134
Energy: 2.1625704393752776
Energy: 2.3396943919595214
Energy: 2.157067672307586
Energy: 2.3402888404781694
Energy: 2.0575314673489697
Energy: 2.063638757490011
Energy: 2.1013200252459736
Energy: 2.292878132361224
Energy: 2.013601932410459
Energy: 2.265321602908924
Energy: 2.069382095071547
Energy: 2.053295107686836
Energy: 2.097954562128835
Energy: 2.405916031152751
Energy: 2.032640392757541
Energy: 2.2325441749460064
Energy: 2.1128154105226056
Energy: 2.004398300668791
Energy: 2.1124342357675934
Energy: 2.3331412043513753
Energy: 2.3210594648047933
Energy: 2.351786097597327
Energy: 2.0861970786054562
Energy: 2.1432575230121715
Energy: 2.57183151257735
Energy: 2.08756115751156
Energy: 1.986043718293772
Energy: 2.108671563590468
Energy: 2.0417582119080984
Energy: 2.177394663520339
Energy: 2.714996020644622
Energy: 2.059370822381668
Energy: 2.0446607972410096
Energy: 2.153051916841404
Energy: 2.9943649843133278
Energy: 2.0520881027342814
Energy: 2.1713504408372866
Energy: 2.691609472605305
Energy: 2.0349327734406035
Energy: 2.6846962077435115
Energy: 2.1056661738953872
Energy: 2.00468454989802
Energy: 2.011638386372744
Energy: 2.7534476518608577
Energy: 2.126164234252526
Energy: 2.418800610705944
Energy: 2.024114687860866
Energy: 2.008924017569975
Energy: 2.7351987680814736
Energy: 2.2767768094094425
Energy: 2.100215791717993
Energy: 2.19110593944129
Energy: 2.13201671256006

minimum gb energy = 1.9749467634482856 eV
minimum distance =  2.29653542029143 Angstroms
sigma value = 19


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

Energy: 3.0230762634750765
Energy: 1.976164424359406
Energy: 2.081131405491328
Energy: 2.0890565500875646
Energy: 2.0951222711237687
Energy: 3.4898670293330536
Energy: 1.9685517295708561
Energy: 2.0563331417122708
Energy: 1.997638507244164
Energy: 2.0926424857932466
Energy: 2.4166365374647896
Energy: 2.000652131173952
Energy: 1.9435946264117159
Energy: 2.0573614906534394
Energy: 2.709006376496169
Energy: 2.7792918085382996
Energy: 2.1334469376755196
Energy: 2.03580882947438
Energy: 1.9409392978132307
Energy: 2.039584856339843
Energy: 2.0006197407980384
Energy: 2.0744427887004346
Energy: 2.531505188547228
Energy: 1.9729277040871676
Energy: 1.9679897506458
Energy: 2.4549521043440548
Energy: 2.0894639559635553
Energy: 1.9868354415866634
Energy: 2.155142795456071
Energy: 2.469057148830109
Energy: 1.951925306698096
Energy: 2.3450761187132505
Energy: 2.0733561617923866
Energy: 1.9717389295514491
Energy: 2.2360296152535732
Energy: 1.983786094425436
Energy: 1.9411098238232665
Energy: 2.1843039291481943
Energy: 2.109406379881946
Energy: 2.1414854453044305
Energy: 2.1580412357252223
Energy: 2.1334243289694648
Energy: 2.0527804252889723
Energy: 2.192096680039915
Energy: 1.9489859876263549
Energy: 1.9441939152096606
Energy: 2.2558515616270274
Energy: 2.148579526794823
Energy: 1.9823723836373144
Energy: 2.076022632942354
Energy: 2.3865481636809758
Energy: 1.9599015863542266
Energy: 2.332798348881889
Energy: 2.068630447070922
Energy: 1.9528925935040369
Energy: 2.0118980578341463
Energy: 2.5239499637119622
Energy: 1.9575359947489792
Energy: 2.53546988050147
Energy: 1.9961977578559753
Energy: 1.9305074920907332
Energy: 2.0488678765770207
Energy: 2.049721340925523
Energy: 1.9472838618388113
Energy: 2.04334534082696
Energy: 2.9221404620380964
Energy: 1.99597072709274
Energy: 2.839726635648715
Energy: 1.961909570353266
Energy: 1.9769824917990892
Energy: 1.9569464578512004
Energy: 2.042060663867312
Energy: 2.0335960052024524
Energy: 2.1191547968192563
Energy: 2.4391593750797167
Energy: 2.009090121570412
Energy: 2.5590142138515732
Energy: 1.9678924034041432
Energy: 1.9348499631407536
Energy: 1.9838787404946214
Energy: 2.4184861536734075
Energy: 1.970883829665528
Energy: 2.836052977610163
Energy: 1.9799795931484978
Energy: 1.9361665157527412
Energy: 2.471183879169304
Energy: 1.9671318676684968
Energy: 1.9439932163474503
Energy: 2.1478102044621767
Energy: 1.9566898763914466
Energy: 1.9274856784981997
Energy: 2.887245455621706
Energy: 2.136169076858435
Energy: 1.953102491632844
Energy: 2.0179998308287725
Energy: 1.983857895393496
Energy: 1.9295321879665628
Energy: 2.053503159642461
Energy: 2.711387808854865
Energy: 1.9388852789636393
Energy: 2.4682704277050864
Energy: 1.965018333740084
Energy: 1.9642553472133881
Energy: 2.0308141945211857
Energy: 2.36639805260515
Energy: 1.9436095939084332
Energy: 2.362943109233923
Energy: 2.0233678083599282
Energy: 2.3228489366484157
Energy: 2.463037388991749
Energy: 2.084322158974764
Energy: 2.01247574273226
Energy: 2.100187312797804
Energy: 2.4831387360400963
Energy: 1.9570369143474384
Energy: 2.368752299770545
Energy: 2.0822941803739776
Energy: 1.9581543060395077
Energy: 2.1144236473015305
Energy: 2.0099864978905244
Energy: 1.9378640683264219
Energy: 2.2003986443817065
Energy: 2.101804611730301
Energy: 2.1338318375653498
Energy: 2.128701986306543
Energy: 2.028712057833922
Energy: 1.9759870113478915
Energy: 2.1416871491512004
Energy: 2.0512405131916487
Energy: 1.9464764909520837
Energy: 2.262137269815263
Energy: 2.1201773563668884
Energy: 1.9405013926616184
Energy: 2.0997712659022225
Energy: 2.464057451224313
Energy: 1.9887599348009468
Energy: 2.266871278765549
Energy: 2.026671831942286
Energy: 1.9965553015926345
Energy: 2.063296447148334
Energy: 2.4653335995816916
Energy: 1.9702457350513347
Energy: 2.469061090166409
Energy: 2.057194304475225
Energy: 1.9591202468746234
Energy: 2.881403657384486
Energy: 2.068520245066117
Energy: 1.9525160531715318
Energy: 2.0086571931222363
Energy: 2.0583237387031144
Energy: 1.9769945468714996
Energy: 2.8512893686548137
Energy: 1.9631696477756944
Energy: 1.9424560061619662
Energy: 2.0432284300567733
Energy: 2.9306279185902357
Energy: 1.9583391713973615
Energy: 1.9960664408473567
Energy: 2.8323632074156353
Energy: 1.9595757892231285
Energy: 2.5536977195060784
Energy: 2.088386891154653
Energy: 1.9452668966281919
Energy: 1.9493444275992644
Energy: 2.9406874013504956
Energy: 1.951449041485973
Energy: 2.4459973205605614
Energy: 1.9390127236335464
Energy: 1.925853867365385
Energy: 2.8952791914312983
Energy: 1.9636118018297548
Energy: 1.9395351795449145
Energy: 2.166548671270022
Energy: 1.9568239267835599

minimum gb energy = 1.925853867365385 eV
minimum distance =  2.37826212638985 Angstroms
sigma value = 101


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

Energy: 3.2094161357724222
Energy: 2.283944217959174
Energy: 2.106625274633093
Energy: 2.0342202303883883
Energy: 2.119701246538467
Energy: 2.820747724746284
Energy: 1.9222379790731172
Energy: 1.8945415170054252
Energy: 1.9164979819505645
Energy: 1.9489957766016974
Energy: 2.7254988368491255
Energy: 2.215730358650676
Energy: 1.87282999143333
Energy: 1.9221887197963665
Energy: 2.7971932761064258
Energy: 2.9004841207982803
Energy: 2.264435290319192
Energy: 1.8968131882269705
Energy: 2.092821857332458
Energy: 2.057603964294223
Energy: 2.1430436112228857
Energy: 1.9501488856341145
Energy: 2.793253741393267
Energy: 2.0030782648634853
Energy: 1.8711547883079358
Energy: 2.516199792761456
Energy: 2.102565300723401
Energy: 1.8695114006275242
Energy: 1.941335804936904
Energy: 2.3360178067750086
Energy: 1.9291717280056742
Energy: 2.4444357894979944
Energy: 2.1250829443927084
Energy: 1.8724224292447795
Energy: 2.321227102836703
Energy: 1.9099438353833365
Energy: 1.89388896559212
Energy: 2.0484290234755718
Energy: 2.1817885965193327
Energy: 2.2552859488739196
Energy: 2.2932172549186594
Energy: 2.047907733218247
Energy: 1.8910401429323354
Energy: 2.162296584232826
Energy: 1.9521396963983932
Energy: 1.8609937432258794
Energy: 2.270706827835718
Energy: 2.0487637960990166
Energy: 1.896296127097855
Energy: 2.0539751708250455
Energy: 2.195249382277596
Energy: 1.8914171968680265
Energy: 2.134683026866813
Energy: 2.0106948313311133
Energy: 1.9107982882770167
Energy: 2.2984433893867116
Energy: 2.2318300080340086
Energy: 1.8917610070708344
Energy: 2.322738767076101
Energy: 1.9022122992098454
Energy: 2.007220590342675
Energy: 2.575220685497776
Energy: 2.101567933622772
Energy: 1.9164736205833828
Energy: 2.0875483739104603
Energy: 2.6095016715556056
Energy: 2.0557331335672804
Energy: 2.6809376020700464
Energy: 1.8954657532682748
Energy: 1.9160094906153062
Energy: 2.377353923170327
Energy: 1.9264059417500459
Energy: 1.8808485973034106
Energy: 1.8905499822367933
Energy: 2.0689751040251796
Energy: 1.8993954276099392
Energy: 2.222299798874757
Energy: 1.904547830524753
Energy: 1.890512981559856
Energy: 1.9045433830452438
Energy: 1.9495229843721946
Energy: 1.9740466865502302
Energy: 2.9335299372723855
Energy: 1.8985153243642914
Energy: 1.9284781374387006
Energy: 2.5791476585917965
Energy: 1.8715460344616393
Energy: 1.8842987856111217
Energy: 1.9186531043385149
Energy: 2.986764791884695
Energy: 2.321634051582444
Energy: 2.9620710883560784
Energy: 1.8869836965105489
Energy: 1.9021125791569053
Energy: 1.8860029874135702
Energy: 2.1846409012512336
Energy: 1.8692570808562963
Energy: 2.030485464013894
Energy: 1.8766703510541707
Energy: 1.8569040506142616
Energy: 1.8885542838747302
Energy: 1.887778040407204
Energy: 2.0607070116195234
Energy: 2.2192870851090203
Energy: 1.9431898883170549
Energy: 1.932362070013357
Energy: 2.6764092632451284
Energy: 1.93016041909761
Energy: 1.853138963286434
Energy: 2.5041978476759326
Energy: 1.89725226648083
Energy: 1.989284685993769
Energy: 1.8964561334587917
Energy: 2.8125760228045023
Energy: 2.101164509669625
Energy: 2.3672043096098276
Energy: 1.922827200208105
Energy: 1.903495518514716
Energy: 1.985327262521065
Energy: 2.143327685080334
Energy: 1.864931126042856
Energy: 2.073133072284759
Energy: 2.5772372537557833
Energy: 2.4700954353048803
Energy: 2.621043376416438
Energy: 2.0318955367706573
Energy: 1.8544828975407783
Energy: 2.0692635165781157
Energy: 2.484558492774776
Energy: 1.9416398764522629
Energy: 2.473761862395753
Energy: 1.939000542324914
Energy: 1.881024987669995
Energy: 2.185069218351706
Energy: 2.065893792278756
Energy: 1.8856117949379865
Energy: 2.1346194240811034
Energy: 2.1907005767569734
Energy: 1.870910860677825
Energy: 2.315802337692876
Energy: 2.042894395198644
Energy: 1.9326042508347345
Energy: 2.128558886848078
Energy: 1.8970107558344684
Energy: 1.8917716421810729
Energy: 2.2710876237153657
Energy: 2.015025342325112
Energy: 2.014717387327503
Energy: 2.1285632959885805
Energy: 2.036765282662275
Energy: 1.9135481006682908
Energy: 2.2054059830315573
Energy: 2.0209482942400405
Energy: 1.906649452475468
Energy: 2.1977302615502543
Energy: 2.229986909431152
Energy: 1.8565580585103771
Energy: 2.011726912813493
Energy: 2.517109632420233
Energy: 1.9564409506622846
Energy: 2.1076948460240925
Energy: 1.9355384773908002
Energy: 1.89087393882016
Energy: 1.9609253309117887
Energy: 2.582999968540183
Energy: 1.902494270592393
Energy: 2.5867688517440213
Energy: 1.892977768707611
Energy: 1.9072440557271106
Energy: 2.458800782305742
Energy: 1.8969745614637845
Energy: 1.8973765579746045
Energy: 1.884821299044774
Energy: 1.8990067918453808
Energy: 2.0054324524366103
Energy: 2.0597820882052402
Energy: 2.000923543786518
Energy: 1.887939741997085
Energy: 1.902921369296303
Energy: 2.3599293277089934
Energy: 1.9224707564153003
Energy: 1.8742119471176748
Energy: 2.608169955277011
Energy: 1.9206336888511635
Energy: 2.5934430483049153
Energy: 1.914286953074205
Energy: 1.881683831242108
Energy: 1.8886591472891014
Energy: 2.984610259407268
Energy: 1.9310323281822315
Energy: 2.5066111956051698
Energy: 1.8987396699894903
Energy: 2.087526114549606
Energy: 2.9401612753031996
Energy: 1.903216630252187
Energy: 1.883795016964845
Energy: 2.1348483797301245
Energy: 1.9364100932116917

minimum gb energy = 1.853138963286434 eV
minimum distance =  2.38059959837027 Angstroms
sigma value = 33


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

Energy: 0.019781680198921004
Energy: 0.286121769023381
Energy: 0.6662479369560704
Energy: 0.6990320685536487
Energy: 0.28617094118024206
Energy: 0.020093370146140904
Energy: 0.1626091602061915
Energy: 0.16569585933872422
Energy: 0.1675765999058175
Energy: 0.16408531283877406
Energy: 0.8655449788468376
Energy: 0.17162363814808806
Energy: 1.17791100696242
Energy: 0.2852631490944566
Energy: 0.020711320244912214
Energy: 0.019985789967896517
Energy: 0.29683062578654745
Energy: 0.7117294245214263
Energy: 0.02089183252255374
Energy: 0.16705667119987105
Energy: 0.167558100537791
Energy: 0.164085315542854
Energy: 0.8652867683970229
Energy: 0.1755580001486298

minimum gb energy = 0.019781680198921004 eV
minimum distance =  2.69503163205822 Angstroms
sigma value = 1