Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0873157187751997e-19, 2.93528372408604e-19, 3.573654982137e-19, 4.08976414124742e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96868329134934e-19, 7.011893995168319e-19, 7.044498289670219e-19, 7.067105001975959e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.065086259417119e-19, 7.038105604900559e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.860984978011859e-19, 6.759551175313319e-19, 6.63006325975344e-19, 6.4671058743093e-19, 6.26396589888444e-19, 6.012456210879119e-19, 5.702290836303059e-19, 5.320652362084259e-19, 4.85126267362128e-19, 4.2733575617374794e-19, 3.56006852428068e-19, 2.6330651456146195e-19, 1.2595239238163218e-19, -6.84135831424536e-20, -3.2061797493627596e-19, -6.4372252800852e-19, -1.0628935920554038e-18, -1.61353606633506e-18, -2.34193362945048e-18, -3.34521663766128e-18, -4.81707222425172e-18, -7.10291364974586e-18, -1.0838949233738758e-17, -1.7359583829389998e-17, -2.9875787694198e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0272614018 eV

========================================
theta = 0.0
========================================

Energy: 0.017989148383175783
Energy: 0.018281314080099677
Energy: 0.9477113551160071
Energy: 0.15515994769363645
Energy: 0.018281314080724448
Energy: 1.2715945085747504
Energy: 0.1551599476930117
Energy: 1.271594508575375
Energy: 0.9477113551160071
Energy: 0.15515994769363645
Energy: 0.017989148383175783
Energy: 0.018281314080099677
Energy: 0.15515994769363645
Energy: 1.2715945085760367
Energy: 0.018281314080724448
Energy: 1.271594508574089

minimum gb energy = 0.017989148383175783 eV
minimum distance =  2.48006486371053 Angstroms
sigma value = 1


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

Energy: 1.789129779088518
Energy: 1.1556309446749955
Energy: 1.2313859218910415
Energy: 1.22802045503517
Energy: 1.2115303936516553
Energy: 1.2793017478844202
Energy: 1.183377671304562
Energy: 1.279301747881211
Energy: 1.2298019841791783
Energy: 1.2279495824224795
Energy: 1.9382026981900595
Energy: 1.2279495824232816
Energy: 1.1862679285256563
Energy: 1.1812160159232887
Energy: 1.1835380835304208
Energy: 1.1812160159224865
Energy: 1.667074212969387
Energy: 1.1818346661529453
Energy: 1.182814786632948
Energy: 1.1818346661545498
Energy: 1.263268062459785
Energy: 1.2573155680307646
Energy: 1.182367191817962
Energy: 1.2573155680315666
Energy: 1.2556047137153143
Energy: 1.3117513651878665
Energy: 1.2533260584267678
Energy: 1.3117513651862618
Energy: 1.2538258302233523
Energy: 1.3117521809988921
Energy: 1.2966582469933399
Energy: 1.3117521809964856
Energy: 1.279883044424651
Energy: 1.4078755736122806
Energy: 1.2791421916019114
Energy: 1.4078755736122806
Energy: 1.295038023009718
Energy: 1.3698435251501788
Energy: 1.280011068997676
Energy: 1.3698435251501788
Energy: 1.27574240744851
Energy: 1.407384773860667
Energy: 1.2793285578152114
Energy: 1.4073847738598648
Energy: 1.2544743783707828
Energy: 1.4053073032633276
Energy: 1.3008498421918304
Energy: 1.4053073032633276
Energy: 1.2785617351617442
Energy: 1.3115582098493104
Energy: 1.2102939301557811
Energy: 1.3115582098501128
Energy: 1.2634399025339567
Energy: 1.3109263590426166
Energy: 1.2557425141325218
Energy: 1.3109263590434188
Energy: 1.21116616118916
Energy: 1.1810775849509232
Energy: 1.1813589815746193
Energy: 1.181077584950121
Energy: 1.2246184403457663
Energy: 1.1816433862743831
Energy: 1.1832759742813495
Energy: 1.1816433862767899
Energy: 1.2301919964203551
Energy: 1.2276278129182792
Energy: 1.1528747264419053
Energy: 1.2276278129182792
Energy: 1.1837164622905252
Energy: 1.1862489502647633
Energy: 1.2121656997249728
Energy: 1.1862489502647633
Energy: 1.197420055176014
Energy: 1.2280788997737213
Energy: 1.2299516563984911
Energy: 1.2280788997745236
Energy: 1.263131184233498
Energy: 1.185604504894434
Energy: 1.186092967774057
Energy: 1.185604504894434
Energy: 1.181803528496437
Energy: 1.181591770140574
Energy: 1.2615729983717703
Energy: 1.1815917701421788
Energy: 1.1826280430100509
Energy: 1.182042080273985
Energy: 1.2638059430118
Energy: 1.182042080273985
Energy: 1.2621067098872987
Energy: 1.3113511790135501
Energy: 1.2526921001389986
Energy: 1.3113511790119454
Energy: 1.2971911282611714
Energy: 1.3109697214619171
Energy: 1.255474563125548
Energy: 1.3109697214627194
Energy: 1.279151197127573
Energy: 1.4051407971628207
Energy: 1.279817437121659
Energy: 1.4051407971652274
Energy: 1.2820897476520623
Energy: 1.404293806668588
Energy: 1.29769885783307
Energy: 1.4042938066693902
Energy: 1.4465581261485563
Energy: 1.4045756187539655
Energy: 1.2756744823777926
Energy: 1.4045756187547678
Energy: 1.2977935433534278
Energy: 1.4076674517306025
Energy: 1.2544029176060039
Energy: 1.4076674517306025
Energy: 1.2098765527659894
Energy: 1.3113738360269065
Energy: 1.279214317238734
Energy: 1.3113738360253018
Energy: 1.255672168392799
Energy: 1.3114580056055127
Energy: 1.2630865343165896
Energy: 1.311458005603106
Energy: 1.1804031678304179
Energy: 1.180882025124627
Energy: 1.2103812526543682
Energy: 1.18088202512222
Energy: 1.1818909866995053
Energy: 1.1813556908845047
Energy: 1.2253125088855974
Energy: 1.1813556908829
Energy: 1.1525862101254427
Energy: 1.2274283769064946
Energy: 1.2320636063617219
Energy: 1.2274283769080991

minimum gb energy = 1.1525862101254427 eV
minimum distance =  2.20202548802871 Angstroms
sigma value = 1


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

Energy: 2.034254462010722
Energy: 1.2096735870660622
Energy: 1.291694714246067
Energy: 1.2906719055887645
Energy: 1.27983484668011
Energy: 1.34261470730905
Energy: 1.2413597638362948
Energy: 1.342614707308135
Energy: 1.2909338224594369
Energy: 1.2913652586640025
Energy: 1.8636242028823145
Energy: 1.291365258656726
Energy: 1.2484007732565605
Energy: 1.2406511303234942
Energy: 1.24151321462869
Energy: 1.2406511303271532
Energy: 1.2412698596509963
Energy: 1.2415330741123136
Energy: 1.2416955476132652
Energy: 1.241533074111399
Energy: 1.3385507034655915
Energy: 1.2420941369864762
Energy: 1.2410590844285032
Energy: 1.242094136987391
Energy: 1.330120762366035
Energy: 1.3935904563463517
Energy: 1.3261337179343629
Energy: 1.3935904563463517
Energy: 1.3284899316632854
Energy: 1.3961463624753456
Energy: 1.3714402882919987
Energy: 1.3961463624726012
Energy: 1.327178711346517
Energy: 1.4866309683037797
Energy: 1.3454880199368433
Energy: 1.4866309683028651
Energy: 1.373214775582512
Energy: 1.4557102849117192
Energy: 1.3281565628523655
Energy: 1.455710284905316
Energy: 1.2791426374735282
Energy: 1.3944056313626754
Energy: 1.3630209132953448
Energy: 1.3944056313626754
Energy: 1.327817562308004
Energy: 1.396067092911783
Energy: 1.3386013085582305
Energy: 1.396067092919974
Energy: 1.242123666765045
Energy: 1.2408592012960076
Energy: 1.2816209664583111
Energy: 1.2408592012978372
Energy: 1.2419131045691942
Energy: 1.2415606452260852
Energy: 1.288603405404741
Energy: 1.2415606452288295
Energy: 1.2045140983229055
Energy: 1.2905479181595505
Energy: 1.294518021473594
Energy: 1.290547918160465
Energy: 1.2796968297322628
Energy: 1.248095497266637
Energy: 1.241678816856934
Energy: 1.2480954972712106
Energy: 1.2908051799645828
Energy: 1.2915133685138787
Energy: 1.2601150738351912
Energy: 1.2915133685102198
Energy: 1.2472138631372136
Energy: 1.2475306176076033
Energy: 1.3381815023214514
Energy: 1.247530617609433
Energy: 1.2400426537301015
Energy: 1.241769678526224
Energy: 1.242763570969825
Energy: 1.2417696785316708
Energy: 1.3386385388988802
Energy: 1.2426768958001246
Energy: 1.2423715459411353
Energy: 1.24267689579921
Energy: 1.3269631693683388
Energy: 1.3936817732461502
Energy: 1.326066088579562
Energy: 1.3936817732461502
Energy: 1.3290098027587987
Energy: 1.394083274588286
Energy: 1.3722351157585464
Energy: 1.394083274591945
Energy: 1.3274142929358677
Energy: 1.4874271620087838
Energy: 1.345036163086059
Energy: 1.4874271620078694
Energy: 1.3725224913484289
Energy: 1.4862067513063852
Energy: 1.3277609301790483
Energy: 1.4862067513082144
Energy: 1.2798856233466442
Energy: 1.3943564757421296
Energy: 1.3659089618917843
Energy: 1.394356475743959
Energy: 1.3282177943430165
Energy: 1.3941755982285982
Energy: 1.3388704056004026
Energy: 1.3941755982258541
Energy: 1.2409356652360701
Energy: 1.240764517657639
Energy: 1.283138975021728
Energy: 1.2407645176622129
Energy: 1.2419718824730002
Energy: 1.240900940061438
Energy: 1.2888596104131298
Energy: 1.2409009400669264
Energy: 1.204213134247214
Energy: 1.2910212225498785
Energy: 1.2965154619021029
Energy: 1.291021222543475

minimum gb energy = 1.204213134247214 eV
minimum distance =  2.20218904340658 Angstroms
sigma value = 25


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

Energy: 1.9333241595076869
Energy: 1.2667712289162878
Energy: 1.360515736559271
Energy: 1.36061683343974
Energy: 1.3631617461732797
Energy: 1.4103486972490364
Energy: 1.3101926961129615
Energy: 1.4103486972490364
Energy: 1.3594723410833716
Energy: 1.3613352400315362
Energy: 1.311296136519576
Energy: 1.3613352400315362
Energy: 1.3174849533831423
Energy: 1.4118189483719874
Energy: 1.3101758910484715
Energy: 1.4118189483719874
Energy: 1.768056491687301
Energy: 1.3095558555168114
Energy: 1.3109021466465285
Energy: 1.309555855517875
Energy: 1.4284146181316433
Energy: 1.3109870141513669
Energy: 1.309683786355282
Energy: 1.3109870141513669
Energy: 1.4066802181993756
Energy: 1.4941555914530589
Energy: 1.4048889470345662
Energy: 1.4941555914530589
Energy: 1.407425220671969
Energy: 1.4963648291545923
Energy: 1.4607042308078144
Energy: 1.4963648291535288
Energy: 1.4078766558342728
Energy: 1.494117375245754
Energy: 1.3636258914313975
Energy: 1.4941173752468175
Energy: 1.4282318003252237
Energy: 1.4945057944053373
Energy: 1.3099986336953102
Energy: 1.494505794407464
Energy: 1.2571878717720255
Energy: 1.309697875593756
Energy: 1.3117577585773679
Energy: 1.309697875593756
Energy: 1.3597698849170683
Energy: 1.3092206263183062
Energy: 1.3102611579679255
Energy: 1.3092206263172426
Energy: 1.3601500646858633
Energy: 1.359940857277302
Energy: 1.2586376726602095
Energy: 1.3599408572783653
Energy: 1.3101794093557935
Energy: 1.3180867181244436
Energy: 1.3609904033402493
Energy: 1.3180867181244436
Energy: 1.335650946296253
Energy: 1.3614206192433447
Energy: 1.3611203538293828
Energy: 1.3614206192444083
Energy: 1.4661049939583113
Energy: 1.318338470247655
Energy: 1.3629966328779228
Energy: 1.318338470247655
Energy: 1.3126944505623872
Energy: 1.309512050448333
Energy: 1.3103337131042478
Energy: 1.3095120504462066
Energy: 1.3091141525523406
Energy: 1.309330504117901
Energy: 1.4288200559449513
Energy: 1.309330504117901
Energy: 1.4049502926547306
Energy: 1.4941910302216823
Energy: 1.4089343944745665
Energy: 1.4941910302216823
Energy: 1.4621207294564404
Energy: 1.494514239548416
Energy: 1.4064590104060104
Energy: 1.494514239548416
Energy: 1.361231591418799
Energy: 1.4941458268104424
Energy: 1.479009861037531
Energy: 1.4941458268104424
Energy: 1.3613436187716874
Energy: 1.4940995036807798
Energy: 1.4286222152621255
Energy: 1.4940995036797164
Energy: 1.3100873546596128
Energy: 1.3092925245453952
Energy: 1.2578871295269463
Energy: 1.3092925245464586
Energy: 1.3101451720036592
Energy: 1.309494533674579
Energy: 1.257622060748443
Energy: 1.3094945336756425
Energy: 1.2595295654294412
Energy: 1.3637842186214904
Energy: 1.3667639230281106
Energy: 1.3637842186225537

minimum gb energy = 1.2571878717720255 eV
minimum distance =  2.2012607164998 Angstroms
sigma value = 9


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

Energy: 1.8013297852170236
Energy: 1.3272750067221941
Energy: 1.4361025214865004
Energy: 1.4353120093060678
Energy: 1.512229832980663
Energy: 1.4792577765091004
Energy: 1.3918760423502148
Energy: 1.4792577765052948
Energy: 1.4354661101496127
Energy: 1.4359961295713797
Energy: 1.4334025886139845
Energy: 1.4359961295701111
Energy: 1.440517811952182
Energy: 1.4808063274239334
Energy: 1.3918570734766582
Energy: 1.4808063274226648
Energy: 1.4376929717744922
Energy: 1.3910112861498871
Energy: 1.3934715037112175
Energy: 1.3910112861486188
Energy: 1.5447269272427886
Energy: 1.3924382718223014
Energy: 1.3913628257508444
Energy: 1.3924382718223014
Energy: 1.4693647217187746
Energy: 1.5826381874572883
Energy: 1.4390740327374925
Energy: 1.5826381874547513
Energy: 1.3933019724704376
Energy: 1.5843858362009333
Energy: 1.5445779921391123
Energy: 1.5843858361996646
Energy: 1.3903530109443514
Energy: 1.3917705177735544
Energy: 1.3115657402053835
Energy: 1.391770517772286
Energy: 1.391596413624516
Energy: 1.3915911250706747
Energy: 1.3110302208619262
Energy: 1.3915911250706747
Energy: 1.3112631438735212
Energy: 1.4360541411957453
Energy: 1.4358668229585392
Energy: 1.436054141194477
Energy: 1.5117218751686707
Energy: 1.4021290492742569
Energy: 1.4372556739237166
Energy: 1.4021290492742569
Energy: 1.4384489148842472
Energy: 1.4366432367750228
Energy: 1.434492219280382
Energy: 1.4366432367788287
Energy: 1.4402028955083364
Energy: 1.4022135856106293
Energy: 1.5709379195178859
Energy: 1.4022135856131663
Energy: 1.4369135945645006
Energy: 1.3908778761658878
Energy: 1.3909596211395843
Energy: 1.390877876164619
Energy: 1.5439246517056302
Energy: 1.3913050489514487
Energy: 1.3915614908512761
Energy: 1.3913050489514487
Energy: 1.4681411776008517
Energy: 1.5832154669126624
Energy: 1.438706812328643
Energy: 1.5832154669126624
Energy: 1.4688364033123125
Energy: 1.5813187118637444
Energy: 1.5473257134059004
Energy: 1.581318711862476
Energy: 1.3892834688723352
Energy: 1.3916918102190654
Energy: 1.3115321811413854
Energy: 1.391691810216528
Energy: 1.3923737294161622
Energy: 1.3912186741181136
Energy: 1.3106694156646839
Energy: 1.3912186741206507
Energy: 1.311326661086041
Energy: 1.4407329058616798
Energy: 1.4403623184506928
Energy: 1.440732905857874

minimum gb energy = 1.3106694156646839 eV
minimum distance =  2.21073396265485 Angstroms
sigma value = 25


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

Energy: 1.6187882169835555
Energy: 1.38838104920813
Energy: 1.522935717639743
Energy: 1.5213439844513448
Energy: 1.5146972280466495
Energy: 1.498192642653268
Energy: 1.5217849049613845
Energy: 1.498192642653268
Energy: 1.5219704170264434
Energy: 1.5225199421333833
Energy: 1.5177029791929293
Energy: 1.5225199421333833
Energy: 1.526153944762496
Energy: 1.4976708238092875
Energy: 1.4165507991518704
Energy: 1.4976708238092875
Energy: 1.49184717753482
Energy: 1.4957954265991493
Energy: 1.4961656100115555
Energy: 1.4957954265991493
Energy: 1.3771694787006896
Energy: 1.4973285727504675
Energy: 1.4164881377132132
Energy: 1.4973285727488987
Energy: 1.609756189126091
Energy: 1.5005531375364953
Energy: 1.4933735181146526
Energy: 1.5005531375364953
Energy: 1.3684545339947982
Energy: 1.5923892123126981
Energy: 1.4170757522781998
Energy: 1.5923892123126981
Energy: 1.5224488152934446
Energy: 1.522713088171215
Energy: 1.6743071738368982
Energy: 1.522713088171215
Energy: 1.5233115680313476
Energy: 1.3771768591180806
Energy: 1.5324686556686131
Energy: 1.3771768591196496
Energy: 1.5192449380276287
Energy: 1.5213082581629753
Energy: 1.5260724431480401
Energy: 1.5213082581614064
Energy: 1.5248605526400785
Energy: 1.3773180835291745
Energy: 1.5242948309833968
Energy: 1.3773180835291745
Energy: 1.4172946882372222
Energy: 1.593597705470248
Energy: 1.4928365721182324
Energy: 1.593597705471817
Energy: 1.4969027375136763
Energy: 1.499023001305397
Energy: 1.3772969338148418
Energy: 1.4990230013038284
Energy: 1.4946840700915927
Energy: 1.4985981132363388
Energy: 1.6060827743010975
Energy: 1.4985981132363388
Energy: 1.4166050736931504
Energy: 1.5945753737593586
Energy: 1.6072527084122052
Energy: 1.5945753737593586
Energy: 1.6717596994586796
Energy: 1.5258000952651474
Energy: 1.524601982738856
Energy: 1.5258000952651474

minimum gb energy = 1.3684545339947982 eV
minimum distance =  2.22066479791354 Angstroms
sigma value = 17


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

Energy: 2.1434503784800523
Energy: 1.5767239837264813
Energy: 1.6549678205123635
Energy: 1.6558141281780414
Energy: 1.516835359991088
Energy: 1.5147014312659473
Energy: 1.6807776276879896
Energy: 1.5147014312668354
Energy: 1.4927628964584498
Energy: 1.491671562351921
Energy: 1.6543830068354708
Energy: 1.4916715623528098
Energy: 1.4916083868355074
Energy: 1.4911887383570324
Energy: 1.5126123214281992
Energy: 1.4911887383552553
Energy: 1.6652362140710582
Energy: 1.6396066414185497
Energy: 1.5580700656593065
Energy: 1.6396066414185497
Energy: 1.5161938563087196
Energy: 1.6421375596896195
Energy: 1.5780554100786888
Energy: 1.6421375596896195
Energy: 1.5605700754867202
Energy: 1.4902110715077592
Energy: 1.4941886340106847
Energy: 1.4902110715059822
Energy: 1.7402147885911092
Energy: 1.4898678752425325
Energy: 1.4906961947566044
Energy: 1.489867875241644
Energy: 1.6626221665083316
Energy: 1.6605973014902804
Energy: 1.6577225552734312
Energy: 1.6605973014902804
Energy: 1.6570642135937037
Energy: 1.658968362940536
Energy: 1.6729697049425194
Energy: 1.6589683629414245
Energy: 1.6559776821917362
Energy: 1.4884876355980552
Energy: 1.4883616326205749
Energy: 1.4884876355998322
Energy: 1.6994177396730796
Energy: 1.4873623714603033
Energy: 1.4874693654170246
Energy: 1.4873623714611917
Energy: 1.562329976451198
Energy: 1.4879451180526144
Energy: 1.4857628436550085
Energy: 1.4879451180526144
Energy: 1.5625536974796743
Energy: 1.5120275011195723
Energy: 1.4507118770027516
Energy: 1.512027501122238
Energy: 1.6623749419409282
Energy: 1.6551110759533425
Energy: 1.742856051440992
Energy: 1.6551110759524537
Energy: 1.6528254347801958
Energy: 1.6532262304076344
Energy: 1.7565795619287432
Energy: 1.6532262304076344
Energy: 1.6582065055325417
Energy: 1.4907830289524109
Energy: 1.490917796330913
Energy: 1.4907830289541877
Energy: 1.657264717239036
Energy: 1.4908506206530758
Energy: 1.4889276998602161
Energy: 1.4908506206530758
Energy: 1.4908014382314931
Energy: 1.6656170123496445
Energy: 1.5808226699101022
Energy: 1.6656170123478675
Energy: 1.5534303716570115
Energy: 1.6421793502208049
Energy: 1.5792831797445568
Energy: 1.6421793502216935
Energy: 1.4910780167044517
Energy: 1.5125802385836287
Energy: 1.8353558564530104
Energy: 1.512580238584517
Energy: 1.4914947485455852
Energy: 1.4929662244798456
Energy: 1.5608213216751106
Energy: 1.4929662244789572
Energy: 1.6526977639820335
Energy: 1.7275755235523962
Energy: 1.6523138871784444
Energy: 1.727575523553285
Energy: 1.6552746776760912
Energy: 1.653967223033389
Energy: 1.6522046415777156
Energy: 1.6539672230342775
Energy: 1.4526516235251987
Energy: 1.4866883906207708
Energy: 1.6619354735794885
Energy: 1.4866883906216595
Energy: 1.4915503826385004
Energy: 1.4883985774725428
Energy: 1.5776778063332015
Energy: 1.4883985774734312
Energy: 1.4508503532426682
Energy: 1.5709904169122693
Energy: 1.606786649375877
Energy: 1.570990416911381
Energy: 1.4932382941960265
Energy: 1.4877776857358331
Energy: 1.5629894168491303
Energy: 1.4877776857349447
Energy: 1.488930091766621
Energy: 1.5150104525986168
Energy: 1.563351857784443
Energy: 1.5150104526012822
Energy: 1.7385190095520295
Energy: 1.6529025029869324
Energy: 1.6553121258375154
Energy: 1.652902502986044

minimum gb energy = 1.4507118770027516 eV
minimum distance =  2.19171262540472 Angstroms
sigma value = 53


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

Energy: 1.9313418416132453
Energy: 1.3967076166398098
Energy: 1.5780449370167702
Energy: 1.5769880302006818
Energy: 1.7466821953934033
Energy: 1.5633503152977906
Energy: 1.5634744692957663
Energy: 1.563350315303927
Energy: 1.5643729679264564
Energy: 1.5653221196807037
Energy: 1.6074431198354808
Energy: 1.565322119682749
Energy: 1.5639084994246342
Energy: 1.4829272861533431
Energy: 1.56183595109699
Energy: 1.4829272861553888
Energy: 1.5877180613118924
Energy: 1.4809365470507405
Energy: 1.367697954244764
Energy: 1.4809365470527855
Energy: 1.5625648266069205
Energy: 1.4822091865459996
Energy: 1.3680786970436685
Energy: 1.4822091865439542
Energy: 1.745158720262018
Energy: 1.5627610094275246
Energy: 1.563327962801788
Energy: 1.5627610094295703
Energy: 1.7455727122452824
Energy: 1.5614044046451208
Energy: 1.56109116183436
Energy: 1.5614044046451208
Energy: 1.5636908014119493
Energy: 1.5651425699769224
Energy: 1.6092828823627747
Energy: 1.5651425699789212
Energy: 1.5619836287720765
Energy: 1.5633173468209987
Energy: 1.5637711402597034
Energy: 1.5633173468209987
Energy: 1.5892336692556426
Energy: 1.4828275468334575
Energy: 1.3683440317048057
Energy: 1.482827546831459
Energy: 1.5651785234044568
Energy: 1.4805339258866932
Energy: 1.3676583529268054
Energy: 1.4805339258866932
Energy: 1.7460844877013975
Energy: 1.5624591742086167
Energy: 1.560029097052228
Energy: 1.5624591742127076

minimum gb energy = 1.3676583529268054 eV
minimum distance =  2.22484710377874 Angstroms
sigma value = 9


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

Energy: 1.8843143468432737
Energy: 1.642345456109924
Energy: 1.7426044249861838
Energy: 1.7394133687531759
Energy: 1.489810628425425
Energy: 1.4775706293446171
Energy: 1.7345657045378902
Energy: 1.477570629345374
Energy: 1.4784084175583674
Energy: 1.4787024149067869
Energy: 1.7685032592810521
Energy: 1.47870241490603
Energy: 1.478160912002925
Energy: 1.478828882376196
Energy: 1.812443873800705
Energy: 1.478828882378467
Energy: 1.4810289816883464
Energy: 1.4770393917854507
Energy: 1.8025959456019884
Energy: 1.4770393917846938
Energy: 1.5052001516851155
Energy: 1.4772228527019742
Energy: 1.8001204634417085
Energy: 1.4772228527012174
Energy: 1.7332365521586406
Energy: 1.7109331349582926
Energy: 1.7388259383155935
Energy: 1.7109331349575352
Energy: 1.734183218135844
Energy: 1.7093938137779012
Energy: 1.710211199920747
Energy: 1.7093938137786582
Energy: 1.5647628537151694
Energy: 1.6622831293828761
Energy: 1.560820503205474
Energy: 1.6622831292754445
Energy: 1.4663589415313736
Energy: 1.579012820201652
Energy: 1.7139707893136642
Energy: 1.5790135307432394
Energy: 1.5516893978565813
Energy: 1.5515198424153613
Energy: 1.6182653652236885
Energy: 1.5515198424161183
Energy: 1.5532882339242022
Energy: 1.5774159624671251
Energy: 1.8500321474379298
Energy: 1.5774159624709103
Energy: 1.7362394601680937
Energy: 1.552286460345059
Energy: 1.5534849483314894
Energy: 1.552286460345059
Energy: 1.7344094728883062
Energy: 1.5529002982819848
Energy: 1.5539000893101258
Energy: 1.5529002982827418
Energy: 1.711082800147255
Energy: 1.5688571577631099
Energy: 1.5616700259991845
Energy: 1.5688571577593247
Energy: 1.6583805949082016
Energy: 1.6433344361064786
Energy: 1.5672663361642605
Energy: 1.6433344361095068
Energy: 1.710267700396525
Energy: 1.6461844842604025
Energy: 1.6076076498222533
Energy: 1.6461844842634306
Energy: 1.7100473488953079
Energy: 1.7131779150392916
Energy: 1.8786495050347263
Energy: 1.713177915040049
Energy: 1.734600654109512
Energy: 1.712653832796586
Energy: 1.4916736864403772
Energy: 1.712653832796586
Energy: 1.7696064535606097
Energy: 1.4786825433481605
Energy: 1.4784847518141182
Energy: 1.4786825433481605
Energy: 1.7364230446796318
Energy: 1.4782819316245057
Energy: 1.4785653314293992
Energy: 1.4782819316260196
Energy: 1.8015440747437494
Energy: 1.4764904832173291
Energy: 1.4780335971374174
Energy: 1.4764904832173291
Energy: 1.8020470704478149
Energy: 1.4772925358421867
Energy: 1.4791168192842312
Energy: 1.4772925358414295
Energy: 1.7414000215046213
Energy: 1.7105079490845956
Energy: 1.7333443654845744
Energy: 1.7105079490838386
Energy: 1.7106853734803127
Energy: 1.709427103986526
Energy: 1.7334987970888274
Energy: 1.709427103987283
Energy: 1.5631897006770625
Energy: 1.6492753291923536
Energy: 1.554326611170654
Energy: 1.649275328416727
Energy: 1.7119740463122095
Energy: 1.5893897995506978
Energy: 1.4656193495141459
Energy: 1.5893957858790415
Energy: 1.620745222913238
Energy: 1.5525775725974764
Energy: 1.553225653631004
Energy: 1.5525775725974764
Energy: 1.8589934270874646
Energy: 1.5571024591545342
Energy: 1.5526796883618414
Energy: 1.5571024591560483
Energy: 1.553342418490218
Energy: 1.5518805447373543
Energy: 1.7339071313132124
Energy: 1.5518805447388682
Energy: 1.5545542099495537
Energy: 1.5536338229735773
Energy: 1.7541621453724703
Energy: 1.5536338229750912
Energy: 1.552458830593178
Energy: 1.5662219598063554
Energy: 1.7130242577936876
Energy: 1.5662219598078693
Energy: 1.5654492133377813
Energy: 1.642410493593903
Energy: 1.6596348184214802
Energy: 1.642410493593146
Energy: 1.5530617083644
Energy: 1.6403401006801925
Energy: 1.619011777660164
Energy: 1.6403401006817064
Energy: 1.8452121127807126
Energy: 1.7112680074286681
Energy: 1.7095929688694407
Energy: 1.7112680074263973

minimum gb energy = 1.4656193495141459 eV
minimum distance =  2.21791771313836 Angstroms
sigma value = 73


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

Energy: 1.7947751740042763
Energy: 1.5332548883829018
Energy: 1.633976819881464
Energy: 1.6334425623324278
Energy: 1.4919004756888552
Energy: 1.4810488546779512
Energy: 1.6744975846677588
Energy: 1.48104885467675
Energy: 1.4817804295684909
Energy: 1.4829386677651863
Energy: 1.6223080587070158
Energy: 1.4829386677651863
Energy: 1.4820074863735178
Energy: 1.4831149536226482
Energy: 1.7721659938977188
Energy: 1.4831149536226482
Energy: 1.4825815324682303
Energy: 1.4816755093718759
Energy: 1.7610702370074793
Energy: 1.4816755093718759
Energy: 1.518146431996087
Energy: 1.4821681583553254
Energy: 1.7622075765402085
Energy: 1.4821681583553254
Energy: 1.6708901608366495
Energy: 1.635867709740952
Energy: 1.6744401756276768
Energy: 1.6358677097421532
Energy: 1.6696321912440861
Energy: 1.6331531861249635
Energy: 1.6330957804032833
Energy: 1.6331531861261648
Energy: 1.6352172963262808
Energy: 1.5955601773240151
Energy: 1.6333237289544429
Energy: 1.5955601773264172
Energy: 1.4627890574829674
Energy: 1.595871609303262
Energy: 1.6346650819776398
Energy: 1.5958716093020608
Energy: 1.6324902975952553
Energy: 1.633465597342601
Energy: 1.4929368862583297
Energy: 1.6334655973413998
Energy: 1.6757348312411566
Energy: 1.6747517765777131
Energy: 1.7773606273788793
Energy: 1.6747517765789142
Energy: 1.6413163495833807
Energy: 1.4812562505926699
Energy: 1.5181362070554436
Energy: 1.4812562505926699
Energy: 1.6226056977093783
Energy: 1.4825432616845573
Energy: 1.4817435352830313
Energy: 1.4825432616857586
Energy: 1.7719124939226503
Energy: 1.4826252332095065
Energy: 1.483642159958512
Energy: 1.4826252332107075
Energy: 1.7660067616758157
Energy: 1.483298515899141
Energy: 1.4838234433199715
Energy: 1.4832985158979397
Energy: 1.762959130491525
Energy: 1.7588527150989264
Energy: 1.5179652595357842
Energy: 1.7588527150989264
Energy: 1.6732731394188607
Energy: 1.6742358510286284
Energy: 1.6708801198392145
Energy: 1.6742358510286284
Energy: 1.6343507635011598
Energy: 1.635061863890138
Energy: 1.6691823586753276
Energy: 1.635061863891339
Energy: 1.6440334768825569
Energy: 1.5954540182336225
Energy: 1.646286705085902
Energy: 1.5954540182348236
Energy: 1.6340976823638802
Energy: 1.59464252132284
Energy: 1.4646396268007504
Energy: 1.59464252132284
Energy: 1.7747305853997464
Energy: 1.6339360816280952
Energy: 1.6338507325232299
Energy: 1.6339360816280952

minimum gb energy = 1.4627890574829674 eV
minimum distance =  2.21499094450012 Angstroms
sigma value = 7


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

Energy: 2.3054772709575855
Energy: 1.5766805398889128
Energy: 1.6439498731013658
Energy: 1.6424087342963456
Energy: 1.4889922026048168
Energy: 1.6280420510924491
Energy: 1.766701300290279
Energy: 1.6280420510907505
Energy: 1.5320409613487485
Energy: 1.4942047693257987
Energy: 1.615013441580917
Energy: 1.4942047693241003
Energy: 1.4943835691640905
Energy: 1.4937148037894297
Energy: 1.7682871406154983
Energy: 1.4937148037868815
Energy: 1.5209464516765734
Energy: 1.5181288716672268
Energy: 1.723258192687735
Energy: 1.5181288716613202
Energy: 1.5204398030379844
Energy: 1.5181924313493977
Energy: 1.7254103877417193
Energy: 1.51819243134685
Energy: 1.7769270381257423
Energy: 1.5190621556144128
Energy: 1.5177801194765665
Energy: 1.5190621556127142
Energy: 1.7755729368467839
Energy: 1.5181149802059675
Energy: 1.51617545553434
Energy: 1.5181149802042688
Energy: 1.7856273675461218
Energy: 1.492281867661751
Energy: 1.493150056050156
Energy: 1.4922818676651481
Energy: 1.7311485204706374
Energy: 1.7201394084037673
Energy: 1.5340386198222986
Energy: 1.72013940914576
Energy: 1.7664821372682815
Energy: 1.6425889655578458
Energy: 1.5172825973048727
Energy: 1.6425889655561476
Energy: 1.6456265868291646
Energy: 1.6451844088273724
Energy: 1.7725662291075812
Energy: 1.6451844088273724
Energy: 1.6464057987516938
Energy: 1.6178276247672552
Energy: 1.6420084925349503
Energy: 1.6178276247638577
Energy: 1.6150100658413062
Energy: 1.585161284036713
Energy: 1.492896956391938
Energy: 1.5851612840307676
Energy: 1.6443747007790097
Energy: 1.61689238346614
Energy: 1.532858754682123
Energy: 1.616892383477181
Energy: 1.5429358161247435
Energy: 1.6442437807174761
Energy: 1.642165428317802
Energy: 1.6442437807166266
Energy: 1.5457779224726227
Energy: 1.642039880825858
Energy: 1.6730809979757515
Energy: 1.642039880828406
Energy: 1.5350724901281623
Energy: 1.7268530453626172
Energy: 1.6112796298134593
Energy: 1.7268530363553993
Energy: 1.4904497353442456
Energy: 1.4934737592943157
Energy: 1.7677499033244513
Energy: 1.4934737592977128
Energy: 1.5176458005839346
Energy: 1.5168604746412935
Energy: 1.5477524789340882
Energy: 1.5168604746523344
Energy: 1.5216899537459447
Energy: 1.5188663602528465
Energy: 1.7227373619717614
Energy: 1.5188663602528465
Energy: 1.7751102934395446
Energy: 1.5185799645903277
Energy: 1.5209421640871197
Energy: 1.51857996458778
Energy: 1.7738146340827874
Energy: 1.5189879668837023
Energy: 1.519807711935492
Energy: 1.518987966882853
Energy: 1.7660147419721504
Energy: 1.4936959455373917
Energy: 1.4937195175024192
Energy: 1.4936959455390904
Energy: 1.7297949064022797
Energy: 1.4945572710456216
Energy: 1.4946031942571552
Energy: 1.494557271044772
Energy: 1.7378115170624966
Energy: 1.7042946219639123
Energy: 1.5326673344912662
Energy: 1.704294621962214
Energy: 1.645325710500808
Energy: 1.641449911368472
Energy: 2.017031024385278
Energy: 1.641449911369321
Energy: 1.6438053314848837
Energy: 1.6460208234356941
Energy: 1.5324885119073903
Energy: 1.6460208234331462
Energy: 1.617116662654677
Energy: 1.5876745083928063
Energy: 1.6288677163305743
Energy: 1.5876745083928063
Energy: 1.6434167901029362
Energy: 1.6240212856496081
Energy: 1.4971377591262802
Energy: 1.6240885688197444
Energy: 1.5513164158661261
Energy: 1.6435395657256662
Energy: 1.641873855642885
Energy: 1.6435395657256662

minimum gb energy = 1.4889922026048168 eV
minimum distance =  2.20662903865794 Angstroms
sigma value = 29


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

Energy: 1.3742414734500024
Energy: 1.3761553902910804
Energy: 1.5066527262559368
Energy: 1.573158147085703
Energy: 1.4888182920557997
Energy: 1.6104007373417133
Energy: 1.5060565804882786
Energy: 1.6104007373408258
Energy: 1.506449634215383
Energy: 1.5693312274403295
Energy: 1.4339524186096977
Energy: 1.5693312274409215
Energy: 1.4892876939487012
Energy: 1.4121336580893642
Energy: 1.5043738541559335
Energy: 1.4121336580890687
Energy: 1.449670646168494
Energy: 1.4491094004137721
Energy: 1.380106729269642
Energy: 1.4491094004149225
Energy: 1.5037468973807167
Energy: 1.5711056249992532
Energy: 1.3806067625799456
Energy: 1.5711056249989572
Energy: 1.435913495002642
Energy: 1.56861365404207
Energy: 1.5044348507016874
Energy: 1.568613654042333
Energy: 1.5061590216831544
Energy: 1.4464593227196647
Energy: 1.4903157095124535
Energy: 1.4464593227199607
Energy: 1.4881089229372588
Energy: 1.4454340873156928
Energy: 1.4456800893583308
Energy: 1.4454340873148053

minimum gb energy = 1.3742414734500024 eV
minimum distance =  2.22914522176885 Angstroms
sigma value = 5


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

Energy: 1.8141261067149377
Energy: 1.3740753550385716
Energy: 1.6362885507670086
Energy: 1.3878408367525947
Energy: 1.678025755370613
Energy: 1.3887504142653062
Energy: 1.6452380511856315
Energy: 1.3887504142661085
Energy: 1.6518813721129708
Energy: 1.4951262215390564
Energy: 1.615952293009016
Energy: 1.4951262215414634
Energy: 1.4023286460179762
Energy: 1.384203157359236
Energy: 1.5788438151693787
Energy: 1.3842031573600384
Energy: 1.6171466880832728
Energy: 1.4046378641775896
Energy: 1.6016338426070482
Energy: 1.4046378641767874
Energy: 1.4037274458490352
Energy: 1.404236846299657
Energy: 1.6014717804783045
Energy: 1.404236846299657
Energy: 1.3920823276151806
Energy: 1.3847688708311012
Energy: 1.7436001888166441
Energy: 1.384768870830299
Energy: 1.4022920575079556
Energy: 1.389473647121917
Energy: 1.793382199803655
Energy: 1.3894736471195102
Energy: 1.6003403666331864
Energy: 1.380364223570146
Energy: 1.7783246225766651
Energy: 1.3803642235693439
Energy: 1.6061496508279078
Energy: 1.3817737435693267
Energy: 1.3868403215184975
Energy: 1.3817737435693267
Energy: 1.6851410661179576
Energy: 1.3774513722297341
Energy: 1.387212634537291
Energy: 1.3774513722273272
Energy: 1.776607940339512
Energy: 1.3679418467409685
Energy: 1.3779314954975364
Energy: 1.3679418467417708
Energy: 1.782510812969472
Energy: 1.368665367170011
Energy: 1.7470285607613107
Energy: 1.3686653671716158
Energy: 1.692922889677811
Energy: 1.4499179397478361
Energy: 1.601733732035745
Energy: 1.4499179397470339
Energy: 1.3870828940371365
Energy: 1.3855613699107971
Energy: 1.6342914289369066
Energy: 1.385561369909995
Energy: 1.449012517274446
Energy: 1.3878676493995428
Energy: 1.695085221644056
Energy: 1.3878676493995428
Energy: 1.384401119561087
Energy: 1.3863517545082087
Energy: 1.3989030091659032
Energy: 1.3863517545098132
Energy: 1.6790469047433623
Energy: 1.4003017493206509
Energy: 1.6775387367827685
Energy: 1.4003017493214533
Energy: 1.6075931058989321
Energy: 1.4955493555020827
Energy: 1.6555452984062535
Energy: 1.495549355502885
Energy: 1.6537200294734618
Energy: 1.3839543177399825
Energy: 1.3996569557831138
Energy: 1.3839543177423892
Energy: 1.5947655763522433
Energy: 1.4032159426001753
Energy: 1.5781902900079
Energy: 1.4032159426001753
Energy: 1.5999095247716253
Energy: 1.4056234645574461
Energy: 1.4454651599043813
Energy: 1.4056234645550394
Energy: 1.747128020201947
Energy: 1.3851855644577735
Energy: 1.3845455168739698
Energy: 1.385185564456169
Energy: 1.7878525838735098
Energy: 1.387634188838827
Energy: 1.4052689155981972
Energy: 1.3876341888396293
Energy: 1.7823127258988114
Energy: 1.462947928959015
Energy: 1.685656759546455
Energy: 1.462947928959015
Energy: 1.3818133890011601
Energy: 1.3871795116759118
Energy: 1.6053198473711667
Energy: 1.3871795116735053
Energy: 1.3880776475752215
Energy: 1.3869952866898596
Energy: 1.6003019642470866
Energy: 1.386995286690662
Energy: 1.3765870227712276
Energy: 1.3822944942820632
Energy: 1.401303062133516
Energy: 1.3822944942804585
Energy: 1.389866141817095
Energy: 1.369506396402234
Energy: 1.7883542914235713
Energy: 1.3695063964045677
Energy: 1.603835603240573
Energy: 1.459817729631575
Energy: 1.6945130650484233
Energy: 1.4598177296291683
Energy: 1.600446823694091
Energy: 1.3868119014354785
Energy: 1.389045202616626
Energy: 1.3868119014370828
Energy: 1.6937459548088856
Energy: 1.3868563808549033
Energy: 1.390011323367771
Energy: 1.3868563808549033
Energy: 1.4015777922065362
Energy: 1.3859417487822054
Energy: 1.3837513952042213
Energy: 1.3859417487830081

minimum gb energy = 1.3679418467409685 eV
minimum distance =  2.1956000105429 Angstroms
sigma value = 1


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

Energy: 1.9186223079231852
Energy: 1.3251772110884075
Energy: 1.3346428252201175
Energy: 1.3313620925933751
Energy: 1.7401460454861748
Energy: 1.3323382561313297
Energy: 1.590193641284585
Energy: 1.3323382561280017
Energy: 1.604141182548659
Energy: 1.4690685234101475
Energy: 1.621419858478324
Energy: 1.4690685234156937
Energy: 1.3425749901603703
Energy: 1.469968712171906
Energy: 1.5909605188591172
Energy: 1.4699687122262108
Energy: 1.568364062214134
Energy: 1.3424815145472209
Energy: 1.6048580264913506
Energy: 1.3424815145494393
Energy: 1.3277628444406375
Energy: 1.3420626769569122
Energy: 1.6029894848175064
Energy: 1.3420626769535844
Energy: 1.3401768719099743
Energy: 1.3266920697360518
Energy: 1.7642880958084708
Energy: 1.3266920697371611
Energy: 1.3462345600272885
Energy: 1.3297553035145266
Energy: 1.8679425167276624
Energy: 1.3297553035145266
Energy: 1.8003073969796373
Energy: 1.4413215560061425
Energy: 1.797746633530677
Energy: 1.4413215560072516
Energy: 1.601650030345157
Energy: 1.3490525446436092
Energy: 1.3332989915195128
Energy: 1.3490525446458277
Energy: 1.7996054059076767
Energy: 1.3268601080460258
Energy: 1.329121542060559
Energy: 1.3268601080438074
Energy: 1.8367622930441487
Energy: 1.3432917083983644
Energy: 1.3299957543123746
Energy: 1.3432917083950364
Energy: 1.8540520276005703
Energy: 1.3284645439920906
Energy: 1.3304036534547177
Energy: 1.3284645439909817
Energy: 1.7624694807928631
Energy: 1.4709926269581448
Energy: 1.6432099245622607
Energy: 1.4709926269581448
Energy: 1.3416703325621644
Energy: 1.4677924211312887
Energy: 1.6536071807484787
Energy: 1.4677924211312887
Energy: 1.3414344592081437
Energy: 1.329760222141779
Energy: 1.7648038058004372
Energy: 1.329760222141779
Energy: 1.3280653352052998
Energy: 1.3306571704933905
Energy: 1.6022583373777757
Energy: 1.3306571704945
Energy: 1.3512531300684973
Energy: 1.341137613383244
Energy: 1.5824301750379393
Energy: 1.3411376133810253
Energy: 1.3401681620418862
Energy: 1.3374864744262134
Energy: 1.8407388175798014
Energy: 1.3374864744284316
Energy: 1.3440306333420067
Energy: 1.71507804317472
Energy: 1.8709585311203631
Energy: 1.715078037995516
Energy: 1.5991949902252205
Energy: 1.420578077361945
Energy: 1.7643254732683369
Energy: 1.420578077358617
Energy: 1.603996360545091
Energy: 1.3307659209852625
Energy: 1.3318105592232907
Energy: 1.3307659209852625
Energy: 1.7636191209771201
Energy: 1.327225116484337
Energy: 1.3281375210702604
Energy: 1.3272251164854465
Energy: 1.8593475220213678
Energy: 1.3283767408959977
Energy: 1.3278273672735061
Energy: 1.3283767408904512

minimum gb energy = 1.3251772110884075 eV
minimum distance =  2.19880121678455 Angstroms
sigma value = 17


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

Energy: 2.036618841151362
Energy: 1.3024477904075158
Energy: 1.6071198923337269
Energy: 1.313061185471636
Energy: 1.3158145647435286
Energy: 1.3068493840653885
Energy: 1.4983700130589455
Energy: 1.3068493840660742
Energy: 1.6758842430175367
Energy: 1.3043074505082344
Energy: 1.4914961738569696
Energy: 1.3043074505109766
Energy: 1.6685823416125507
Energy: 1.3858665340128509
Energy: 1.473117777312094
Energy: 1.385866534014908
Energy: 1.6457226408259304
Energy: 1.2920846437451878
Energy: 1.8052370344218196
Energy: 1.2920846437479303
Energy: 1.2933704168598306
Energy: 1.2916618042847317
Energy: 1.9068798150805608
Energy: 1.291661804286103
Energy: 1.2943315240563609
Energy: 1.2927506449876105
Energy: 1.377866800051567
Energy: 1.2927506449882962
Energy: 1.2985427431348773
Energy: 1.294216035792505
Energy: 1.9542511635788147
Energy: 1.2942160357897625
Energy: 1.7442280935331427
Energy: 1.2944679345545833
Energy: 1.6526016538625767
Energy: 1.29446793455664
Energy: 1.4968835055283467
Energy: 1.3906277782360692
Energy: 1.470465928280562
Energy: 1.3906277782360692
Energy: 1.739634906066468
Energy: 1.3043542983093244
Energy: 1.3133174558120828
Energy: 1.304354298295612
Energy: 1.89136133453555
Energy: 1.3344457336136621
Energy: 1.5107125117997586
Energy: 1.3344457336122908
Energy: 1.9160802636292964
Energy: 1.3589465681121304
Energy: 1.3055358746756813
Energy: 1.3589465681121304
Energy: 1.6239232577103528
Energy: 1.3049695375567165
Energy: 1.3083691031223161
Energy: 1.3049695375580879
Energy: 1.645994719928476
Energy: 1.30778177725439
Energy: 1.3128449706973213
Energy: 1.3077817772537041
Energy: 1.9378349810819426
Energy: 1.305837203961551
Energy: 1.781709427262147
Energy: 1.3058372039642931
Energy: 1.3569634274152582
Energy: 1.5154605933365617
Energy: 1.8177235836969998
Energy: 1.5154605933557594
Energy: 1.3036562837031984
Energy: 1.306311797332878
Energy: 1.7688772803286454
Energy: 1.306311797330821
Energy: 1.3760743948394338
Energy: 1.3099366639556105
Energy: 1.65211738070781
Energy: 1.309936663953554
Energy: 1.5139691005540226
Energy: 1.3069173496767204
Energy: 1.9750505063295318
Energy: 1.3069173496726063
Energy: 1.5342150073658118
Energy: 1.3066766383194544
Energy: 1.5191990627249474
Energy: 1.3066766383173978
Energy: 1.492271172236227
Energy: 1.3052568722364093
Energy: 1.6836751303654744
Energy: 1.3052568722268105
Energy: 1.4746886386186986
Energy: 1.3824182320434402
Energy: 1.6573249191613506
Energy: 1.3824182320448113
Energy: 1.8104024154106682
Energy: 1.2941336445221312
Energy: 1.4646497822816633
Energy: 1.2941336445207596
Energy: 1.7682108613565206
Energy: 1.3136236610458232
Energy: 1.2912952282693706
Energy: 1.3136236610444518
Energy: 1.3802743827690214
Energy: 1.2930334850106842
Energy: 1.2950020825205377
Energy: 1.2930334850093128
Energy: 1.9802617980529693
Energy: 1.2967115195461167
Energy: 1.2934400255030942
Energy: 1.296711519539946
Energy: 1.842827260757609
Energy: 1.2931352916598968
Energy: 1.7414023433005623
Energy: 1.2931352916626395
Energy: 1.543227413294415
Energy: 1.3851916792011503
Energy: 1.490928567624031
Energy: 1.3851916792080068
Energy: 1.3152744751626633
Energy: 1.304301534118658
Energy: 1.7359933465817434
Energy: 1.3043015341043223
Energy: 1.514835984365149
Energy: 1.3182741370506057
Energy: 1.7847305274181546
Energy: 1.3182741370540338
Energy: 1.362069605080496
Energy: 1.3573864426198319
Energy: 1.7922132237164046
Energy: 1.3573864426212032
Energy: 1.3051033997525765
Energy: 1.3048237007645849
Energy: 1.6217555123858307
Energy: 1.304823700766642
Energy: 1.31847537599245
Energy: 1.3078537632140863
Energy: 1.6474018557514571
Energy: 1.307853763212715
Energy: 1.8600373688965448
Energy: 1.3047247947029805
Energy: 1.9291798565409553
Energy: 1.3047247947029805
Energy: 1.851434626068838
Energy: 1.311689292966576
Energy: 1.3653728382253163
Energy: 1.3116892929658903
Energy: 1.8812205393128212
Energy: 1.3050491795922998
Energy: 1.3146856053959737
Energy: 1.3050491795943564
Energy: 1.6499097606787931
Energy: 1.3333330628785693
Energy: 1.3077137709766586
Energy: 1.3333330628785693

minimum gb energy = 1.2912952282693706 eV
minimum distance =  2.19587485427435 Angstroms
sigma value = 89


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

Energy: 2.1373658387319825
Energy: 1.2417608440831622
Energy: 1.1954067652358666
Energy: 1.1948598749792754
Energy: 1.934824390883109
Energy: 1.3209684528596526
Energy: 1.5681453895271709
Energy: 1.3209684528596526
Energy: 1.1800657878071905
Energy: 1.3219750943668231
Energy: 1.578002765388138
Energy: 1.3219750943650292
Energy: 1.1806360371568625
Energy: 1.3240120746869741
Energy: 1.1933050727333134
Energy: 1.3240120746869741
Energy: 1.1908277793746054
Energy: 1.1916035467523203
Energy: 1.5697432044982795
Energy: 1.1916035467523203
Energy: 1.1953802354845176
Energy: 1.1925890695438468
Energy: 1.5693208457016705
Energy: 1.192589069545641
Energy: 1.1937383861802384
Energy: 1.1890679746888417
Energy: 1.5669678567255063
Energy: 1.1890679746888417
Energy: 1.1937838097573208
Energy: 1.1952404786374693
Energy: 1.9360654103394501
Energy: 1.1952404786374693
Energy: 1.5662093543271582
Energy: 1.1894972450080372
Energy: 1.9361247229695278
Energy: 1.1894972450080372
Energy: 1.5805160676260006
Energy: 1.3243325589325796
Energy: 1.2256437923465526
Energy: 1.3243325589343737
Energy: 1.5657751702487592
Energy: 1.3244412318758805
Energy: 1.1777273351841575
Energy: 1.3244412318758805
Energy: 1.5700968483308095
Energy: 1.1925309475861217
Energy: 1.1931771317988484
Energy: 1.1925309475861217
Energy: 1.5709697999598895
Energy: 1.1931778383797669
Energy: 1.1903837413896423
Energy: 1.1931778383797669
Energy: 1.2225523291228646
Energy: 1.1883942276027821
Energy: 1.1880378852645759
Energy: 1.1883942276027821
Energy: 1.9357763348243708
Energy: 1.1923072313410377
Energy: 1.192751171224189
Energy: 1.1923072313392438

minimum gb energy = 1.1777273351841575 eV
minimum distance =  2.22355275579594 Angstroms
sigma value = 13


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

Energy: 1.905257835464705
Energy: 1.147146877958679
Energy: 1.1299653778269696
Energy: 1.1315432259844311
Energy: 1.8108573914403585
Energy: 1.127790496359226
Energy: 1.3693210192329182
Energy: 1.1277904963614818
Energy: 1.8183379764582897
Energy: 1.1267100107144605
Energy: 1.3225100270229724
Energy: 1.1267100107031818
Energy: 1.5048476097194325
Energy: 1.1318662839337552
Energy: 1.573029204560164
Energy: 1.1318662839345073
Energy: 1.5869253939157346
Energy: 1.1289545019835854
Energy: 1.6708499845310756
Energy: 1.128954501985089
Energy: 1.3476977160641541
Energy: 1.1284825407624584
Energy: 1.6631896409940752
Energy: 1.1284825407632102
Energy: 1.326035983226697
Energy: 1.1280360728321956
Energy: 1.701937989627878
Energy: 1.12803607282994
Energy: 1.322660487239086
Energy: 1.1302915439741046
Energy: 1.9634724690380778
Energy: 1.130291543967337
Energy: 1.1568087914299674
Energy: 1.1313526263962712
Energy: 1.9345439880665252
Energy: 1.1313526263932636
Energy: 1.126052265200689
Energy: 1.1272670331491814
Energy: 1.9368357581287976
Energy: 1.1272670331597083
Energy: 1.154616063713329
Energy: 1.1371830143702937
Energy: 1.9125326511162073
Energy: 1.1371830143695416
Energy: 1.685576397474501
Energy: 1.2047801642475238
Energy: 1.8167775595402065
Energy: 1.2047801642520353
Energy: 1.6921272779380252
Energy: 1.2036375931637888
Energy: 1.6676870349745205
Energy: 1.203637593154014
Energy: 1.696906310182091
Energy: 1.2072301235074128
Energy: 1.5088905267872526
Energy: 1.207230123502901
Energy: 1.953521315884208
Energy: 1.1299620705533675
Energy: 1.5401145933543992
Energy: 1.1299620705533675
Energy: 1.9445503670582536
Energy: 1.1311679497493232
Energy: 1.1319388529897898
Energy: 1.1311679497621057
Energy: 1.680879033079451
Energy: 1.1275321043035567
Energy: 1.1279146002189129
Energy: 1.1275321043110758
Energy: 1.8449321738565845
Energy: 1.1296255024143342
Energy: 1.1360517083494197
Energy: 1.1296255024165898
Energy: 2.0562105386492937
Energy: 1.1305510907769423
Energy: 1.3830433743897743
Energy: 1.1305510907709269
Energy: 1.8096644375040525
Energy: 1.1258937144184706
Energy: 1.3264328446840075
Energy: 1.1258937144094474
Energy: 1.5043353862703446
Energy: 1.1349814711693984
Energy: 1.3881846509609819
Energy: 1.1349814711678947
Energy: 1.8155231968687806
Energy: 1.126701086007136
Energy: 1.6598256224156787
Energy: 1.1267010860018727
Energy: 1.3562029213678024
Energy: 1.1299127726483225
Energy: 1.673996093978168
Energy: 1.129912772652082
Energy: 1.1312447278750266
Energy: 1.1259395075427474
Energy: 1.6997041747179817
Energy: 1.1259395075577856
Energy: 1.3505988966250206
Energy: 1.157525460782267
Energy: 1.9565980352638752
Energy: 1.1575254607785075
Energy: 1.159106157195981
Energy: 1.1353928073490087
Energy: 1.9452838848963838
Energy: 1.1353928073497606
Energy: 1.127066618308078
Energy: 1.1259645409083625
Energy: 1.8065818807980525
Energy: 1.1259645409091144
Energy: 1.126716004806022
Energy: 1.1334808905937521
Energy: 1.8440394849168262
Energy: 1.133480890602775
Energy: 1.6435585164468351
Energy: 1.1273047930152091
Energy: 2.0575178804473837
Energy: 1.1273047930099458
Energy: 1.3172413572703048
Energy: 1.208275145079148
Energy: 1.671088262120607
Energy: 1.2082751450746363
Energy: 1.652822789924506
Energy: 1.2128303302267451
Energy: 1.5071358698533475
Energy: 1.2128303302327608
Energy: 1.9470104894412932
Energy: 1.1297780966447413
Energy: 1.6427456323116494
Energy: 1.12977809664023
Energy: 1.9578952351792323
Energy: 1.130753159936865
Energy: 1.1579949729710879
Energy: 1.1307531599503995
Energy: 1.7955775440444277
Energy: 1.1261329680219458
Energy: 1.1275729588465149
Energy: 1.1261329680234498
Energy: 2.0515913903186105
Energy: 1.1288114677115166
Energy: 1.1330332766564082
Energy: 1.1288114677100127

minimum gb energy = 1.1258937144094474 eV
minimum distance =  2.21870426942663 Angstroms
sigma value = 37


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

Energy: 1.6748681539017825
Energy: 1.0933311072179133
Energy: 1.0307117462131072
Energy: 1.0273783872416948
Energy: 2.077299456212551
Energy: 1.0276386627688592
Energy: 1.3392556232673283
Energy: 1.0276386627688592
Energy: 1.640500847381441
Energy: 1.0255232577600635
Energy: 1.3408771250475582
Energy: 1.0255232577600635
Energy: 1.653327714978514
Energy: 1.1661404649999347
Energy: 1.35676619020455
Energy: 1.1661404650025222
Energy: 1.6710046159129361
Energy: 1.1649617230666773
Energy: 1.3339321777383903
Energy: 1.164961723067971
Energy: 1.2229121310311026
Energy: 1.0263217164684115
Energy: 1.5654627379234853
Energy: 1.0263217164697052
Energy: 1.0204372206465935
Energy: 1.0252172836702893
Energy: 1.6767165493411897
Energy: 1.0252172836689957
Energy: 1.0421919744216204
Energy: 1.0270968199170123
Energy: 1.8954849221425676
Energy: 1.0270968199182766
Energy: 1.0276480970144375
Energy: 1.0265880981598894
Energy: 1.8618353349512669
Energy: 1.026588098161183
Energy: 1.0244682491466537
Energy: 1.027968680125359
Energy: 1.981449065491189
Energy: 1.027968680125359
Energy: 1.0307117462144009
Energy: 1.0273783881558856
Energy: 1.6748681539004888
Energy: 1.093331107219207
Energy: 1.3392556232699155
Energy: 1.0276386627688592
Energy: 1.9834958321429104
Energy: 1.0276386627688592
Energy: 1.340877125051439
Energy: 1.0255232577600635
Energy: 1.6405008473866154
Energy: 1.0255232577587698
Energy: 1.3567661902058437
Energy: 1.1661404650038159
Energy: 1.6533277145970375
Energy: 1.1661404650012284
Energy: 1.3339321777409776
Energy: 1.1649617230666773
Energy: 1.6710046150465805
Energy: 1.1649617230666773
Energy: 1.7569284877209388
Energy: 1.0263217164658243
Energy: 1.0205172644061267
Energy: 1.0263217164658243
Energy: 1.6767165491885994
Energy: 1.0252172836702893
Energy: 1.0204372206452998
Energy: 1.0252172836664084
Energy: 1.8954849221580914
Energy: 1.0270968199182766
Energy: 1.0421919744203267
Energy: 1.0270968199182766
Energy: 1.8618353349512669
Energy: 1.026588098161183
Energy: 1.0276480970157311
Energy: 1.026588098161183
Energy: 2.077299456075484
Energy: 1.027968680125359
Energy: 1.0244682491466537
Energy: 1.027968680125359

minimum gb energy = 1.0204372206452998 eV
minimum distance =  2.22531714990337 Angstroms
sigma value = 25


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

Energy: 1.9728970616496773
Energy: 0.9728990200661269
Energy: 0.9124163612457531
Energy: 0.9130303444397986
Energy: 2.1570553077527936
Energy: 0.9146516129384668
Energy: 1.2149493445207837
Energy: 0.9146516129384668
Energy: 1.7891616590409445
Energy: 0.9131840575030995
Energy: 1.1793681221884846
Energy: 0.91318405750613
Energy: 1.4060144446701242
Energy: 0.9182949026141807
Energy: 1.474047345041645
Energy: 0.918294902615191
Energy: 1.807508368655819
Energy: 1.0210928221107716
Energy: 1.6137789304157524
Energy: 1.0210928221107716
Energy: 1.4213785002155028
Energy: 1.0206497272676724
Energy: 1.610582463912882
Energy: 1.0206497272666624
Energy: 1.414621492268563
Energy: 1.2942433708117944
Energy: 1.8072703968511385
Energy: 1.294243370808764
Energy: 1.4668145040267433
Energy: 0.9166385387464282
Energy: 1.6169034692783721
Energy: 0.9166385387464282
Energy: 1.1773874702497873
Energy: 0.9130367154899712
Energy: 1.978133585950267
Energy: 0.9130367154899712
Energy: 1.186766826088419
Energy: 0.9147523252062576
Energy: 1.810146304220604
Energy: 0.9147523252052474
Energy: 0.9134201637717053
Energy: 0.9128241482529137
Energy: 1.6879846485848273
Energy: 0.9128241482529137
Energy: 0.9191997369550211
Energy: 0.9146226032443251
Energy: 1.8090262956267191
Energy: 0.9146226032453353
Energy: 0.9152556950017446
Energy: 0.9176931972138825
Energy: 2.1578770370617595
Energy: 0.9176931972138825
Energy: 1.193495770266841
Energy: 0.9130510849370091
Energy: 1.7871681746805874
Energy: 0.9130510849370091
Energy: 1.175427711627447
Energy: 0.9127309164758418
Energy: 1.8071095730813242
Energy: 0.9127309164788723
Energy: 1.1907031187946056
Energy: 0.9149164532273014
Energy: 1.7920520176119017
Energy: 0.9149164532273014
Energy: 1.6310858101968038
Energy: 0.9151599206960782
Energy: 1.8056389310488539
Energy: 0.9151599206970883
Energy: 1.1593887461465577
Energy: 1.0219927351123876
Energy: 1.6363556272494733
Energy: 1.0219927351103675
Energy: 1.624494961070725
Energy: 1.0221727102008544
Energy: 1.4149090209973798
Energy: 1.0221727102018647
Energy: 1.978328031982183
Energy: 0.9128663143498922
Energy: 1.4154517550375862
Energy: 0.9128663143488821
Energy: 1.602144172973008
Energy: 0.9192718666989688
Energy: 1.230472173270509
Energy: 0.9192718666999788
Energy: 1.97826391712172
Energy: 0.9121184382552945
Energy: 0.9141297007110096
Energy: 0.9121184382563046
Energy: 1.9756382246474031
Energy: 0.9174672812336875
Energy: 1.2117806687065227
Energy: 0.9174672812336875
Energy: 1.604742143509174
Energy: 0.9135133369773508
Energy: 0.9139338751853582
Energy: 0.9135133369763407
Energy: 1.8066384077601207
Energy: 0.9124626223538777
Energy: 0.9137649950641399
Energy: 0.912462622355898
Energy: 1.7901510092936237
Energy: 0.9221999106827192
Energy: 0.9213062084221015
Energy: 0.9221999106837294

minimum gb energy = 0.9121184382552945 eV
minimum distance =  2.22785776514249 Angstroms
sigma value = 41


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

Energy: 2.15700234815217
Energy: 0.8813057283057183
Energy: 0.82974285202172
Energy: 0.8300837375360475
Energy: 2.058667794220389
Energy: 0.8298991453001292
Energy: 1.0536381774738692
Energy: 0.8298991452984729
Energy: 1.893960976290815
Energy: 0.8296574853956354
Energy: 1.0525788983166215
Energy: 0.8296574853923228
Energy: 1.5751950580369514
Energy: 0.836187563100519
Energy: 1.4528816381133125
Energy: 0.8361875630963782
Energy: 1.9052257151123286
Energy: 0.8279405820675672
Energy: 1.4249864173474511
Energy: 0.8279405820609419
Energy: 1.5678282291295407
Energy: 0.8308592936149178
Energy: 1.41914514940476
Energy: 0.8308592936149178
Energy: 1.5747659576655328
Energy: 0.9198813790582258
Energy: 1.7424628993974223
Energy: 0.9198813789787219
Energy: 1.5866106460249463
Energy: 1.1581295249713293
Energy: 1.404723335520232
Energy: 1.1581295249688448
Energy: 1.2491442035620601
Energy: 0.8280334324653827
Energy: 1.7356022595342833
Energy: 0.8280334324678673
Energy: 1.250324454941308
Energy: 0.828089946924056
Energy: 1.9083611416368194
Energy: 0.8280899469248842
Energy: 1.095040013433815
Energy: 0.8382741820859027
Energy: 1.7300080545549477
Energy: 0.8382741820801054
Energy: 1.0553015066839824
Energy: 0.8287083822687725
Energy: 2.049741489267559
Energy: 0.8287083822687725
Energy: 1.0696172807917281
Energy: 0.8320901579076178
Energy: 2.0496644276376714
Energy: 0.8320901579051332
Energy: 0.8285667425272342
Energy: 0.8287149751587618
Energy: 1.740079144382433
Energy: 0.8287149751579337
Energy: 0.8319208822312321
Energy: 0.8293350509757256
Energy: 1.9054175512825164
Energy: 0.8293350509740691
Energy: 0.8371339945895845
Energy: 0.8358192683582181
Energy: 1.8953122402701854
Energy: 0.8358192683582181
Energy: 1.075729293543835
Energy: 0.8351292012293858
Energy: 1.9008530605025635
Energy: 0.835129201230214
Energy: 1.0306709348799714
Energy: 0.8281101535199535
Energy: 1.902482743608118
Energy: 0.8281101535133282
Energy: 1.0752762552078095
Energy: 0.8334471246969013
Energy: 1.5706999925754543
Energy: 0.8334471246927604
Energy: 1.4352376743768533
Energy: 0.8309482505795741
Energy: 1.5669690479119744
Energy: 0.8309482505804023
Energy: 1.414290614423955
Energy: 0.828690166466384
Energy: 1.740090038823865
Energy: 0.8286901666766633
Energy: 1.4276257232426988
Energy: 0.9186686786275395
Energy: 1.5846347580424154
Energy: 0.9186686786904049
Energy: 1.7331649200139414
Energy: 0.9163756101322146
Energy: 1.568349511036557
Energy: 0.9163756101264174
Energy: 1.4043945259678834
Energy: 1.1447312421934737
Energy: 1.4437353826065886
Energy: 1.1447312421934737
Energy: 1.7434400030403006
Energy: 0.8286867424674861
Energy: 1.2294743005548263
Energy: 0.828686743821765
Energy: 1.7319269093567127
Energy: 0.8300183696056803
Energy: 1.4272649893932974
Energy: 0.8300183696073365
Energy: 1.7469860967445798
Energy: 0.8333976510430112
Energy: 1.0892805839711168
Energy: 0.8333976510438393
Energy: 1.9034525321375053
Energy: 0.8280312773859035
Energy: 1.047222677752057
Energy: 0.8280312785142435
Energy: 1.7350533718698455
Energy: 0.8389530872460033
Energy: 1.0910856456354603
Energy: 0.8389530872451751
Energy: 1.7317576508311385
Energy: 0.836806484163895
Energy: 0.8287966895301768
Energy: 0.8368064841630669
Energy: 2.05427066831935
Energy: 0.8289295095386409
Energy: 0.8312295489410783
Energy: 0.828929509539469
Energy: 1.890710241870823
Energy: 0.8379168485454566
Energy: 0.8292489132396679
Energy: 0.8379168485462848

minimum gb energy = 0.8279405820609419 eV
minimum distance =  2.23030149817453 Angstroms
sigma value = 15


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

Energy: 1.97300299308602
Energy: 0.8151382576072226
Energy: 0.7684028356437235
Energy: 0.7687370594760208
Energy: 2.044060698541741
Energy: 0.7705145069866334
Energy: 0.9613745382884917
Energy: 0.7705145069810208
Energy: 2.032351310808828
Energy: 0.7694965629309962
Energy: 0.9587079612662738
Energy: 0.7694965629309962
Energy: 1.766630128337972
Energy: 0.7755998781192677
Energy: 1.3119584873979415
Energy: 0.7755998781178647
Energy: 1.9812283873531702
Energy: 0.7665069417800747
Energy: 1.2750527863533063
Energy: 0.7665069425914767
Energy: 1.7548151587659944
Energy: 0.7673548365449059
Energy: 1.2767763899574807
Energy: 0.7673548365385917
Energy: 1.474668050757311
Energy: 1.0936366067383192
Energy: 1.5577712040173977
Energy: 1.0936366067313035
Energy: 1.7019081197564079
Energy: 1.093740780693942
Energy: 1.3325379684803298
Energy: 1.0937407807030626
Energy: 1.473101996915902
Energy: 1.0897736292068794
Energy: 1.5488546374774061
Energy: 1.0897736292145965
Energy: 1.4703027978619454
Energy: 0.769749093257643
Energy: 1.8303656587288388
Energy: 0.7697490930858211
Energy: 1.3183512026559
Energy: 0.7737749454475336
Energy: 1.6247298348682089
Energy: 0.7737749454678153
Energy: 1.1832897606371608
Energy: 0.7687195815110006
Energy: 1.8292991148667852
Energy: 0.768719581508896
Energy: 1.2811522321436173
Energy: 0.7682485423240832
Energy: 1.894656454619704
Energy: 0.7682485423184706
Energy: 0.9665362045202507
Energy: 0.7724623875160174
Energy: 1.6229002262433638
Energy: 0.7724623875139126
Energy: 0.9337643591445682
Energy: 0.7659797933569839
Energy: 1.9748720268900886
Energy: 0.7659797933478634
Energy: 0.9731635267029048
Energy: 0.7717014580447877
Energy: 1.897342908661493
Energy: 0.7717014580419815
Energy: 0.9243014431376594
Energy: 0.7759378289497495
Energy: 1.9028422507951974
Energy: 0.7759378289476447
Energy: 0.8475162677853265
Energy: 0.7661754114817501
Energy: 1.9717236687725574
Energy: 0.7661754114824516
Energy: 0.8850298702810205
Energy: 0.7691788776309989
Energy: 1.6852906652587705
Energy: 0.7691788776317005
Energy: 1.0640127122626817
Energy: 0.76733359376885
Energy: 1.9711984678500005
Energy: 0.7673335937618342
Energy: 1.0162763223969895
Energy: 0.7654220607867668
Energy: 1.9685976581191311
Energy: 0.7654220607867668
Energy: 1.1002471685064519
Energy: 0.7735548260604762
Energy: 1.7629907388754846
Energy: 0.7735548260597747
Energy: 1.2548582184890038
Energy: 0.7690248332993946
Energy: 1.7532663748273036
Energy: 0.7690248333106199
Energy: 1.256283759511506
Energy: 0.7666974647213871
Energy: 1.8263799945122727
Energy: 0.7666974647396281
Energy: 1.2547437027933126
Energy: 0.7697645725738266
Energy: 1.4818954927578347
Energy: 0.7697645725843499
Energy: 1.5565737799899206
Energy: 1.2591010226693817
Energy: 1.7772918535350117
Energy: 1.2591010226651724
Energy: 1.3303472957849811
Energy: 0.8426699521465346
Energy: 1.5527718040744847
Energy: 0.8426699521388173
Energy: 1.562523343838928
Energy: 1.214984283674007
Energy: 1.4861312315192152
Energy: 1.2149842836782163
Energy: 1.619074799398553
Energy: 1.0100476955563413
Energy: 1.5543577337096244
Energy: 1.010047695622927
Energy: 1.6132327935103574
Energy: 1.0755490782837456
Energy: 1.2785515021424665
Energy: 1.0755490782844472
Energy: 1.9293017639455292
Energy: 0.7663620134948878
Energy: 1.185141668288753
Energy: 0.766362013548909
Energy: 1.6207870529010775
Energy: 0.7747902447216899
Energy: 1.286768155095904
Energy: 0.7747902447160773
Energy: 1.8946802638763094
Energy: 0.7693007763889715
Energy: 0.9668964146534775
Energy: 0.7693007763924794
Energy: 1.9816990604390365
Energy: 0.7695057248896795
Energy: 0.954972157394406
Energy: 0.769505724880559
Energy: 1.8922261675437382
Energy: 0.7834093342158736
Energy: 0.9892879161596936
Energy: 0.783409334215172
Energy: 2.164139772963662
Energy: 0.7699980032306186
Energy: 0.7751960273055293
Energy: 0.7699980032306186
Energy: 2.0297761725570784
Energy: 0.7699023052728807
Energy: 0.7764727997283712
Energy: 0.769902305270776

minimum gb energy = 0.7654220607867668 eV
minimum distance =  2.2276387588977 Angstroms
sigma value = 85


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

Energy: 1.9896761398359666
Energy: 0.765211474251054
Energy: 0.6883212855806897
Energy: 0.688420922450733
Energy: 2.1174787722561232
Energy: 0.6914579404837046
Energy: 0.8609843836539818
Energy: 0.6914579404843131
Energy: 1.7497117452897522
Energy: 0.6906859143607419
Energy: 0.8530883112990337
Energy: 0.6906859143607419
Energy: 1.4942676011533058
Energy: 0.6889921209419384
Energy: 1.1441352355285643
Energy: 0.6889921209431553
Energy: 2.0096544102337726
Energy: 0.688442121259947
Energy: 1.1324565966036952
Energy: 0.6884421212538622
Energy: 1.4964429816502065
Energy: 0.6893853795058308
Energy: 1.144790717523615
Energy: 0.6893853794486616
Energy: 1.5010239469357571
Energy: 0.6886326589383975
Energy: 1.3792725013085128
Energy: 0.6886326589347466
Energy: 1.7676509494711956
Energy: 0.6886650059015899
Energy: 1.1191280883082064
Energy: 0.6886650059064576
Energy: 1.502040010264333
Energy: 1.2595730868424848
Energy: 1.3826211353661197
Energy: 1.2595730868418762
Energy: 1.5001335543823464
Energy: 1.2581943979443886
Energy: 1.6300265151419264
Energy: 1.2581943979449968
Energy: 1.388997840669347
Energy: 1.0132805129838156
Energy: 1.3926868699703798
Energy: 1.0132805129850326
Energy: 1.2516020363050635
Energy: 0.6888237666409682
Energy: 1.6316023359507237
Energy: 0.6888237666373174
Energy: 1.3767998920047286
Energy: 0.6894132378175709
Energy: 1.625565840145424
Energy: 0.6894132378394761
Energy: 1.1673036219263513
Energy: 0.6888407886107659
Energy: 1.3707288650645115
Energy: 0.6888407886515338
Energy: 0.9817094750121739
Energy: 0.688404079645044
Energy: 1.8808427710606184
Energy: 0.6884040796420018
Energy: 1.1546784604217522
Energy: 0.6910059186655972
Energy: 1.623905603470396
Energy: 0.6910059186649888
Energy: 0.892259154299372
Energy: 0.6929834341892395
Energy: 1.62287177241253
Energy: 0.6929834341880227
Energy: 0.8384205390956883
Energy: 0.6888277415206544
Energy: 2.0074055728603426
Energy: 0.6888277415176121
Energy: 0.9048616138146286
Energy: 0.6888774611124616
Energy: 1.8729870192639357
Energy: 0.6888774611124616
Energy: 0.6890416822973744
Energy: 0.6887295421110206
Energy: 1.872856799258754
Energy: 0.6887295421098037
Energy: 0.6900671210274091
Energy: 0.6892154100333281
Energy: 2.0086470818595448
Energy: 0.6892154100333281
Energy: 0.6890567986188825
Energy: 0.6888054140707465
Energy: 1.747308193322969
Energy: 0.6888054140707465
Energy: 0.8602728831462793
Energy: 0.6890246576575277
Energy: 2.0017201722007094
Energy: 0.6890246576569192
Energy: 0.8398306766292902
Energy: 0.688751710063767
Energy: 2.0099536369802404
Energy: 0.688751710064984
Energy: 0.8966128591401875
Energy: 0.6886856526859358
Energy: 1.4945070394077926
Energy: 0.6886856526841103
Energy: 1.1357692174793268
Energy: 0.6889559541143514
Energy: 1.999254125440729
Energy: 0.688955954113743
Energy: 1.1337403240462365
Energy: 0.6884853309904021
Energy: 1.7521368561462953
Energy: 0.6884853308018575
Energy: 1.381970529423041
Energy: 0.689520463896974
Energy: 1.4966639973932003
Energy: 0.6895204638957569
Energy: 1.3792397347871368
Energy: 0.6886998829905033
Energy: 1.8781457043265166
Energy: 0.6886998829795506
Energy: 1.3799928632479606
Energy: 0.6896091800012116
Energy: 1.4997721701112878
Energy: 0.689609180347877
Energy: 1.628052242514075
Energy: 1.2569292416065803
Energy: 1.2490077580903658
Energy: 1.2569292416071884
Energy: 1.3817973421393461
Energy: 1.2566462147007598
Energy: 1.6283690181211026
Energy: 1.2566462147013684
Energy: 1.6294710422432592
Energy: 0.6886710126542518
Energy: 1.2489875485061142
Energy: 0.6886710126506008
Energy: 1.8781427707777139
Energy: 0.6898720934020331
Energy: 1.2487512222894623
Energy: 0.6898720934038585
Energy: 1.3709224184969024
Energy: 0.6895530622317333
Energy: 1.288562821572551
Energy: 0.6895530622372095
Energy: 1.8770824301421458
Energy: 0.6884916002685258
Energy: 1.1258613149169634
Energy: 0.6884916003068599
Energy: 1.8758128379783576
Energy: 0.6892294090438036
Energy: 1.1405454390440841
Energy: 0.6892294090431951
Energy: 1.6229952598818036
Energy: 0.688763939197603
Energy: 0.9208051950109784
Energy: 0.6887639391982117
Energy: 2.0117115076792795
Energy: 0.6885563195157632
Energy: 0.8491058541154453
Energy: 0.6885563195157632
Energy: 1.8750310852830858
Energy: 0.689033273099097
Energy: 0.8879887947157149
Energy: 0.6890332730997055
Energy: 1.6203633746671309
Energy: 0.6889027840521157
Energy: 0.6891215506058468
Energy: 0.6889027840527241
Energy: 2.0080138315122276
Energy: 0.6889966328785584
Energy: 0.6896643049636554
Energy: 0.6889966328779499
Energy: 1.747357197621245
Energy: 0.6888853427972016
Energy: 0.6892488868731125
Energy: 0.6888853427972016

minimum gb energy = 0.6883212855806897 eV
minimum distance =  2.22873962713129 Angstroms
sigma value = 113


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

Energy: 0.020352398125170732
Energy: 0.02176523673482521
Energy: 1.6178741486357395
Energy: 0.7242030482636087
Energy: 0.021478373870675783
Energy: 0.16854939227381444
Energy: 1.0614437099048095
Energy: 0.16854939227334664
Energy: 0.021406759911328142
Energy: 0.16625433557140684
Energy: 1.0593472949950145
Energy: 0.1662543355709391
Energy: 0.022948537230441716
Energy: 0.1688127614788648
Energy: 1.0604184700835777
Energy: 0.1688127614788648
Energy: 1.0587520592882023
Energy: 0.16845551302363013
Energy: 1.0609119009856907
Energy: 0.16845551302274656
Energy: 0.021030225269137236
Energy: 0.1660471262747911
Energy: 1.059639299157234
Energy: 0.16604712627520687

minimum gb energy = 0.020352398125170732 eV
minimum distance =  2.45548666005881 Angstroms
sigma value = 1