Model name: model_name=EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005
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=3.518121153116226
cohesive_energy=4.385853675380362
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=[2.5086881735172e-19, 3.3309732873850196e-19, 3.959667398566619e-19, 4.4820090247833e-19, 4.8908043929484e-19, 5.20600060215522e-19, 5.45991355511154e-19, 5.67596707420644e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82955027245278e-19, 6.748255830043619e-19, 6.64640546142024e-19, 6.516805393495979e-19, 6.34739123621682e-19, 6.118312021087499e-19, 5.79781260722214e-19, 5.33539238711706e-19, 4.6451907149562e-19, 3.5786858167677597e-19, 1.8800421276346198e-19, -9.016505356096439e-20, -5.57160128826768e-19, -1.3584086634901678e-18, -2.7622326258477e-18, -5.27785822419012e-18, -9.8780598192636e-18, -1.8342519194349e-17, -3.4577375026670996e-17, -6.75714791036232e-17, -1.398777105960432e-16]
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: 0.017858715630012074
Energy: 0.018267810701265864
Energy: 0.9484792600543582
Energy: 0.1500699405122132
Energy: 0.018267810700603626
Energy: 1.2885520915666946
Energy: 0.1500699405122132
Energy: 1.2885520916177973
Energy: 0.9484792600549838
Energy: 0.15006994051283867
Energy: 0.017858715630012074
Energy: 0.018267810700603626
Energy: 0.1500699405122132
Energy: 1.2885520914715534
Energy: 0.018267810701265864
Energy: 1.288552091520743

minimum gb energy = 0.017858715630012074 eV
minimum distance =  2.41557999949749 Angstroms
sigma value = 1


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

Energy: 1.773617672993661
Energy: 1.1175387302979378
Energy: 1.1664800307109895
Energy: 1.1654288167344535
Energy: 1.217934313208774
Energy: 1.2345245755543306
Energy: 1.1728542239179618
Energy: 1.2345245755535275
Energy: 1.1669129442167698
Energy: 1.1662447479383866
Energy: 1.9158419576022245
Energy: 1.1662447479351743
Energy: 1.1670635884213112
Energy: 1.1508276401427133
Energy: 1.1492179405747787
Energy: 1.1508276401427133
Energy: 1.6504120550782393
Energy: 1.1522452453066243
Energy: 1.154041615828387
Energy: 1.1522452453058212
Energy: 1.162963149619553
Energy: 1.178595249386606
Energy: 1.15027355733011
Energy: 1.1785952493874094
Energy: 1.2242669449743417
Energy: 1.2830476691739274
Energy: 1.2262866927632585
Energy: 1.2830476691739274
Energy: 1.2291063411862677
Energy: 1.1762001450238873
Energy: 1.1790748582313924
Energy: 1.1762001450270998
Energy: 1.4292062151052445
Energy: 1.3739723875482417
Energy: 1.2406865291953737
Energy: 1.3739723875498482
Energy: 1.2389430341665728
Energy: 1.2651680849281592
Energy: 1.2385701111084333
Energy: 1.2651680849329783
Energy: 1.2394205457187453
Energy: 1.373275026310837
Energy: 1.1853467770677202
Energy: 1.373275026310034
Energy: 1.2402319105245505
Energy: 1.3718723286945915
Energy: 1.1808183826584258
Energy: 1.3718723286937884
Energy: 1.2578929681506967
Energy: 1.2831140659437048
Energy: 1.2245226294506497
Energy: 1.283114065940492
Energy: 1.1627736061153031
Energy: 1.2839799365877735
Energy: 1.215339463669536
Energy: 1.2839799365901832
Energy: 1.1876477515629287
Energy: 1.1514418866116647
Energy: 1.1509373787724055
Energy: 1.1514418866100584
Energy: 1.112576488200273
Energy: 1.1510685568511196
Energy: 1.1502212991344631
Energy: 1.1510685568543322
Energy: 1.1648340032071276
Energy: 1.1656387144934117
Energy: 1.1111236375931033
Energy: 1.1656387144901992
Energy: 1.1736329249385373
Energy: 1.1512473309308549
Energy: 1.2151599390988328
Energy: 1.1512473309292484
Energy: 1.1492355457666676
Energy: 1.1668952505552874
Energy: 1.1657636635144513
Energy: 1.1668952505552874
Energy: 1.1718754832782659
Energy: 1.151384070092785
Energy: 1.1698889161417383
Energy: 1.1513840700943916
Energy: 1.1518996335535263
Energy: 1.151982411997004
Energy: 1.2247098367656606
Energy: 1.151982411997004
Energy: 1.1508941837993165
Energy: 1.151762630386209
Energy: 1.1616662026753464
Energy: 1.1517626303886184
Energy: 1.2253965116419314
Energy: 1.283754122698159
Energy: 1.221017898869451
Energy: 1.283754122698159
Energy: 1.1790787651793153
Energy: 1.284402375750436
Energy: 1.2335857320664654
Energy: 1.284402375751239
Energy: 1.2405621004357459
Energy: 1.3719691391205802
Energy: 1.4313216347027276
Energy: 1.3719691391221864
Energy: 1.2418301532026286
Energy: 1.372732551913465
Energy: 1.2411076746964986
Energy: 1.3727325519166773
Energy: 1.4253670706071946
Energy: 1.3703616748652518
Energy: 1.236318619034863
Energy: 1.3703616748636454
Energy: 1.1817999663594823
Energy: 1.3725507563637862
Energy: 1.2397229624667012
Energy: 1.3725507563637862
Energy: 1.2357210333213398
Energy: 1.2832074147128378
Energy: 1.2573097988439887
Energy: 1.2832074147096253
Energy: 1.2156018894690754
Energy: 1.2836464978695812
Energy: 1.16348619832357
Energy: 1.2836464978695812
Energy: 1.1498991091694368
Energy: 1.1513158523346145
Energy: 1.1872666784148804
Energy: 1.1513158523354179
Energy: 1.1499620237171546
Energy: 1.1517102695905184
Energy: 1.1127836056881744
Energy: 1.151710269588912
Energy: 1.1112384111819067
Energy: 1.166989152485866
Energy: 1.1657455697045482
Energy: 1.1669891524882754

minimum gb energy = 1.1111236375931033 eV
minimum distance =  2.2059446972595 Angstroms
sigma value = 1


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

Energy: 1.9955304756225736
Energy: 1.1735551859729514
Energy: 1.2305450314521083
Energy: 1.2289557929102772
Energy: 1.2902532908858675
Energy: 1.3000470414196141
Energy: 1.2394239731162293
Energy: 1.3000470414168668
Energy: 1.2280941616570482
Energy: 1.2300809476501202
Energy: 1.213620496518518
Energy: 1.2300809476464574
Energy: 1.2305730265206682
Energy: 1.215577151094188
Energy: 1.2399858980108922
Energy: 1.2155771511261968
Energy: 1.8348011267558166
Energy: 1.2162601829908588
Energy: 1.2154767329459346
Energy: 1.2162601829826174
Energy: 1.2272936415209745
Energy: 1.216799845751335
Energy: 1.2144650199914693
Energy: 1.216799845733936
Energy: 1.221391923726945
Energy: 1.369585591745114
Energy: 1.303260551852031
Energy: 1.369585591745114
Energy: 1.2297755318389196
Energy: 1.3780860184978045
Energy: 1.246761032535045
Energy: 1.3780860184987203
Energy: 1.2476425825938882
Energy: 1.4535109145908116
Energy: 1.3133989277268583
Energy: 1.4535109145917273
Energy: 1.2497819484923203
Energy: 1.4555631368757294
Energy: 1.316863046467487
Energy: 1.4555631368748136
Energy: 1.2610691740073732
Energy: 1.3693551589141437
Energy: 1.3498732845604626
Energy: 1.3693551589031552
Energy: 1.296867899527992
Energy: 1.3699041235486686
Energy: 1.2273474040685917
Energy: 1.3699041235395115
Energy: 1.2162886596871876
Energy: 1.2165090345601481
Energy: 1.2613867716341984
Energy: 1.2165090345473277
Energy: 1.214525650527036
Energy: 1.2159707951573637
Energy: 1.167572578575255
Energy: 1.2159707951710998
Energy: 1.1660650175778526
Energy: 1.2289370069944103
Energy: 1.2288219898975108
Energy: 1.2289370069806744
Energy: 1.2847927117249
Energy: 1.2222810006686615
Energy: 1.239088993118988
Energy: 1.222281000664083
Energy: 1.2302684593134487
Energy: 1.2297615114673248
Energy: 1.2131907856071267
Energy: 1.229761511462746
Energy: 1.2308711070180263
Energy: 1.2254888046434644
Energy: 1.2276069801857794
Energy: 1.2254888046325174
Energy: 1.2134469795191962
Energy: 1.217227542410453
Energy: 1.2173769824249618
Energy: 1.2172275424150316
Energy: 1.2297895895008004
Energy: 1.2157518859154526
Energy: 1.2152138938184978
Energy: 1.2157518859191156
Energy: 1.221459338574315
Energy: 1.369551802189412
Energy: 1.3044692510051135
Energy: 1.3695518022013164
Energy: 1.2293517859458796
Energy: 1.3722057046652238
Energy: 1.246482413270269
Energy: 1.3722057046633924
Energy: 1.240958750412761
Energy: 1.4541375804791203
Energy: 1.315122116549702
Energy: 1.4541375804791203
Energy: 1.2472649906793691
Energy: 1.4549473846761245
Energy: 1.315913925897654
Energy: 1.4549473846861976
Energy: 1.3103936255761266
Energy: 1.3694062426725417
Energy: 1.3512765698709968
Energy: 1.3694062426670475
Energy: 1.2978601995982293
Energy: 1.3699610391870152
Energy: 1.2289365441993845
Energy: 1.3699610391952568
Energy: 1.2152633996155
Energy: 1.2163999860101997
Energy: 1.2609581778250725
Energy: 1.2163999860120311
Energy: 1.2146410883323298
Energy: 1.2164158443546111
Energy: 1.167998337464769
Energy: 1.2164158443482012
Energy: 1.1658096017158666
Energy: 1.229474991605811
Energy: 1.229828559616781
Energy: 1.2294749916012324

minimum gb energy = 1.1658096017158666 eV
minimum distance =  2.19533312254377 Angstroms
sigma value = 25


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

Energy: 1.902969501247458
Energy: 1.2371236761971318
Energy: 1.3009752644901134
Energy: 1.3014389043262828
Energy: 1.3776956568950167
Energy: 1.372921799292548
Energy: 1.314473241976058
Energy: 1.3729217992893545
Energy: 1.3005004358965988
Energy: 1.3004603707216702
Energy: 1.7455252404851416
Energy: 1.3004603707227347
Energy: 1.3023581581802544
Energy: 1.3737169606011048
Energy: 1.3167457250803718
Energy: 1.3737169606021693
Energy: 1.289326370479854
Energy: 1.2928875894738845
Energy: 1.293479957345921
Energy: 1.2928875894738845
Energy: 1.3032410695791679
Energy: 1.2934367484773304
Energy: 1.2923998884091585
Energy: 1.2934367484783946
Energy: 1.299638502529781
Energy: 1.4751471957397486
Energy: 1.4644663108690075
Energy: 1.4751471957408129
Energy: 1.3045509457225437
Energy: 1.4849879993692827
Energy: 1.252181167417023
Energy: 1.4849879993660888
Energy: 1.3901842651549396
Energy: 1.4750270133728984
Energy: 1.372980951453826
Energy: 1.475027013371834
Energy: 1.3060538002928008
Energy: 1.4756122495252693
Energy: 1.2934811123254704
Energy: 1.4756122495242048
Energy: 1.2280332112023715
Energy: 1.2933308094362397
Energy: 1.2936364346126121
Energy: 1.2933308094362397
Energy: 1.2284085132935991
Energy: 1.2927745227979617
Energy: 1.2923837547623935
Energy: 1.2927745227990264
Energy: 1.3006124222047215
Energy: 1.3007448056938142
Energy: 1.2269762584989772
Energy: 1.30074480569275
Energy: 1.3146328486026706
Energy: 1.303506611231182
Energy: 1.3655696024077837
Energy: 1.3035066112343756
Energy: 1.28917453459827
Energy: 1.3004917737277537
Energy: 1.3033358974135463
Energy: 1.300491773728818
Energy: 1.3003627808601397
Energy: 1.302677712432376
Energy: 1.3024715859059373
Energy: 1.3026777124334408
Energy: 1.3071767161108951
Energy: 1.2927070518703616
Energy: 1.288986991151398
Energy: 1.2927070518735555
Energy: 1.309132359079426
Energy: 1.2919980820644197
Energy: 1.300838613448949
Energy: 1.2919980820654844
Energy: 1.465521205261324
Energy: 1.4759126991448692
Energy: 1.3017861417503234
Energy: 1.475912699145934
Energy: 1.2529289364238485
Energy: 1.4795341700047446
Energy: 1.304565080955433
Energy: 1.4795341700036804
Energy: 1.3741424220740326
Energy: 1.474791479405804
Energy: 1.4710618153951724
Energy: 1.474791479405804
Energy: 1.3067647123704438
Energy: 1.475950569522045
Energy: 1.3060382370322061
Energy: 1.475950569526303
Energy: 1.2931670892936291
Energy: 1.2930266835240845
Energy: 1.2279443860484016
Energy: 1.2930266835240845
Energy: 1.2915822792878668
Energy: 1.2934133253581208
Energy: 1.2290121061398085
Energy: 1.293413325355992
Energy: 1.2264670955896393
Energy: 1.3026190323376126
Energy: 1.3022339998738055
Energy: 1.3026190323376126

minimum gb energy = 1.2264670955896393 eV
minimum distance =  2.21162100255714 Angstroms
sigma value = 9


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

Energy: 1.7734596984983058
Energy: 1.3094985275435058
Energy: 1.3838246804455965
Energy: 1.383040059258262
Energy: 1.4567678091177048
Energy: 1.4540358413702472
Energy: 1.38193462246123
Energy: 1.4540358413677072
Energy: 1.3831950563093105
Energy: 1.3824585320348468
Energy: 1.3815268667091245
Energy: 1.3824585320348468
Energy: 1.3825009624457456
Energy: 1.4541939256180336
Energy: 1.3824138878260859
Energy: 1.4541939256091447
Energy: 1.6212259532599453
Energy: 1.388440564073222
Energy: 1.388760392005394
Energy: 1.388440564073222
Energy: 1.3986681976904451
Energy: 1.3902122103226313
Energy: 1.3990494718263962
Energy: 1.3902122103226313
Energy: 1.474910063631918
Energy: 1.5900618415367465
Energy: 1.3984047939487425
Energy: 1.5900618415278573
Energy: 1.399766427264085
Energy: 1.599976212528169
Energy: 1.4823458558616576
Energy: 1.5999762125307087
Energy: 1.3870787643213496
Energy: 1.3891121948230316
Energy: 1.294591884337881
Energy: 1.3891121948230316
Energy: 1.3988300484919673
Energy: 1.3890546976766789
Energy: 1.2955618360548455
Energy: 1.3890546976779201
Energy: 1.2936051920826594
Energy: 1.381747268027406
Energy: 1.3806842459308069
Energy: 1.3817472680286762
Energy: 1.4567678306949736
Energy: 1.3872397793341387
Energy: 1.383267916696737
Energy: 1.3872397793341387
Energy: 1.3812551981547614
Energy: 1.3820907450081057
Energy: 1.3785064118942851
Energy: 1.3820907450068358
Energy: 1.382633894632692
Energy: 1.3877379355013615
Energy: 1.384877488131277
Energy: 1.387737935505171
Energy: 1.392287689341908
Energy: 1.397235264603242
Energy: 1.398671096133356
Energy: 1.3972352646070516
Energy: 1.3815214855098654
Energy: 1.388524392708591
Energy: 1.4003333660732797
Energy: 1.3885243927009716
Energy: 1.4729707957252143
Energy: 1.5911315308716067
Energy: 1.6323781543255518
Energy: 1.591131530874147
Energy: 1.4751973793578657
Energy: 1.5916927624690602
Energy: 1.4017872630876982
Energy: 1.59169276247033
Energy: 1.385775695043424
Energy: 1.3891240055973078
Energy: 1.295219036671914
Energy: 1.3891240055960379
Energy: 1.3990590699934469
Energy: 1.3885959787514557
Energy: 1.295232079146508
Energy: 1.3885959787501858
Energy: 1.2926344311972502
Energy: 1.383158862067391
Energy: 1.3816821217406379
Energy: 1.383158862067391

minimum gb energy = 1.2926344311972502 eV
minimum distance =  2.21675587101399 Angstroms
sigma value = 25


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

Energy: 1.6063078691899941
Energy: 1.3887618733297213
Energy: 1.4804573690073113
Energy: 1.4799879882627365
Energy: 1.5653209856387862
Energy: 1.4939577650430982
Energy: 1.4794927317022186
Energy: 1.493957765041528
Energy: 1.4790748325110372
Energy: 1.4773167271754555
Energy: 1.4811407683745512
Energy: 1.477316727173885
Energy: 1.4794662631657007
Energy: 1.4939220436280478
Energy: 1.4161351640805362
Energy: 1.493922043626477
Energy: 1.4893299987277198
Energy: 1.4987688711907132
Energy: 1.4146134950743956
Energy: 1.4987688711860017
Energy: 1.3814930189953316
Energy: 1.497086297983859
Energy: 1.413946511323584
Energy: 1.4970862979414565
Energy: 1.3726031079642051
Energy: 1.4986478974204362
Energy: 1.4940728455994061
Energy: 1.4986478974220065
Energy: 1.3735929463631833
Energy: 1.4935935993290987
Energy: 1.4165386988196744
Energy: 1.4935935993322398
Energy: 1.4744856420741155
Energy: 1.4753866730094238
Energy: 1.568608154534028
Energy: 1.4753866730078533
Energy: 1.4804027796318269
Energy: 1.3811519256499087
Energy: 1.5675722294071077
Energy: 1.3811519256499087
Energy: 1.4716857353948167
Energy: 1.4751578404285117
Energy: 1.4857539713578305
Energy: 1.4751578404285117
Energy: 1.476306095282787
Energy: 1.4747489726342888
Energy: 1.4744622969600407
Energy: 1.4747489726342888
Energy: 1.415130428117777
Energy: 1.6116788244384581
Energy: 1.4890092054665203
Energy: 1.6116788244384581
Energy: 1.41489288969081
Energy: 1.4991517821690379
Energy: 1.4781659858285543
Energy: 1.4991517821643265
Energy: 1.4949199997644604
Energy: 1.4978822266983056
Energy: 1.3734847170859308
Energy: 1.4978822266983056
Energy: 1.4158693798626996
Energy: 1.602051259673276
Energy: 1.3728476681453634
Energy: 1.6020512596748466
Energy: 1.5662845619255998
Energy: 1.4760551820182808
Energy: 1.473720057367397
Energy: 1.4760551820198515

minimum gb energy = 1.3726031079642051 eV
minimum distance =  2.2163883105571 Angstroms
sigma value = 17


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

Energy: 2.088852382843953
Energy: 1.529435081172501
Energy: 1.5979195489907092
Energy: 1.5970610360974964
Energy: 1.4921655402680478
Energy: 1.4719126734785528
Energy: 1.598368474656101
Energy: 1.4719126734749948
Energy: 1.471086659430482
Energy: 1.4704675544333818
Energy: 1.601626264936377
Energy: 1.4704675544333818
Energy: 1.4705352934255742
Energy: 1.4692123275488584
Energy: 1.4692882864292744
Energy: 1.4692123275470796
Energy: 1.6600019205855865
Energy: 1.6303313786040996
Energy: 1.4197852007192662
Energy: 1.63033137860321
Energy: 1.4692144542087198
Energy: 1.581245296737616
Energy: 1.4702966848529264
Energy: 1.5812452967340584
Energy: 1.5127369519271936
Energy: 1.4686383544331212
Energy: 1.4710317254639609
Energy: 1.4686383544331212
Energy: 1.6661852066227563
Energy: 1.468774113097519
Energy: 1.4699924013185615
Energy: 1.468774113097519
Energy: 1.601806547573848
Energy: 1.5896747387579853
Energy: 1.5992411210455741
Energy: 1.5896747387606536
Energy: 1.586623021429911
Energy: 1.5880372605798612
Energy: 1.5980017020614985
Energy: 1.5880372605780821
Energy: 1.658022833366414
Energy: 1.4238000985767714
Energy: 1.4461569750765906
Energy: 1.423800098567877
Energy: 1.5919372404561474
Energy: 1.48977961913156
Energy: 1.449147841105675
Energy: 1.4897796191306705
Energy: 1.5137535127911323
Energy: 1.4934578242204268
Energy: 1.486642544633197
Energy: 1.4934578242284318
Energy: 1.5131733831437377
Energy: 1.4875616988766034
Energy: 1.447495499111354
Energy: 1.4875616988783822
Energy: 1.5884218662203005
Energy: 1.5879840471797357
Energy: 1.6671909456535003
Energy: 1.5879840471815148
Energy: 1.6040438552491723
Energy: 1.5869397373866136
Energy: 1.6649375460674247
Energy: 1.5869397373857241
Energy: 1.596731223906978
Energy: 1.4689636572332614
Energy: 1.4684934508004217
Energy: 1.4689636572332614
Energy: 1.5960341566262117
Energy: 1.4692037675286245
Energy: 1.4666727397414894
Energy: 1.4692037675321823
Energy: 1.4698429548534622
Energy: 1.6314241962295108
Energy: 1.4684611992704901
Energy: 1.6314241962295108
Energy: 1.550816902761849
Energy: 1.5837819191059994
Energy: 1.4682708942658822
Energy: 1.5837819191042206
Energy: 1.4693315553669823
Energy: 1.4693889459005007
Energy: 1.660538336670636
Energy: 1.4693889459040586
Energy: 1.4705796250322205
Energy: 1.472367257889988
Energy: 1.771229482914256
Energy: 1.4723672578739782
Energy: 1.5983568582736907
Energy: 1.5874818242225037
Energy: 1.5988023973429026
Energy: 1.587481824225172
Energy: 1.5997425295203216
Energy: 1.590050502788729
Energy: 1.5899968554467792
Energy: 1.590050502788729
Energy: 1.4476321963523728
Energy: 1.486350400106537
Energy: 1.595971134745278
Energy: 1.486350400094085
Energy: 1.4491636309273679
Energy: 1.4870498610493108
Energy: 1.4658817512827378
Energy: 1.4870498610662102
Energy: 1.4454573794974392
Energy: 1.4495614110940158
Energy: 1.5165463873022405
Energy: 1.4495614110931263
Energy: 1.4483601641372363
Energy: 1.4901618550838873
Energy: 1.5134669743765703
Energy: 1.4901618550874451
Energy: 1.4473289796290087
Energy: 1.5642979202949785
Energy: 1.514283569017417
Energy: 1.5642979202949785
Energy: 1.6622063729519365
Energy: 1.5903123814345161
Energy: 1.5965385235593281
Energy: 1.5903123814354054

minimum gb energy = 1.4197852007192662 eV
minimum distance =  2.18423805436831 Angstroms
sigma value = 53


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

Energy: 1.906077325198488
Energy: 1.3953555117860859
Energy: 1.5466588051514785
Energy: 1.5450011808140927
Energy: 1.6620286922476017
Energy: 1.5266486059341384
Energy: 1.5277308080297745
Energy: 1.5266486059320905
Energy: 1.5258388762525197
Energy: 1.5291887928406367
Energy: 1.637550869264678
Energy: 1.5291887928447319
Energy: 1.5300604354342362
Energy: 1.4843067780803476
Energy: 1.525798542784341
Energy: 1.4843067780762527
Energy: 1.545148677831823
Energy: 1.483122458441851
Energy: 1.3843519071766746
Energy: 1.483122458443899
Energy: 1.5233560812098772
Energy: 1.485159242504463
Energy: 1.379636008236375
Energy: 1.4851592425003677
Energy: 1.6593873729530002
Energy: 1.526165120584253
Energy: 1.5273564390968266
Energy: 1.5261651205822055
Energy: 1.658156253440329
Energy: 1.5242178036658942
Energy: 1.5230968681527053
Energy: 1.5242178036658942
Energy: 1.5307397508150997
Energy: 1.5267550068346527
Energy: 1.5409584430641186
Energy: 1.5267550068367004
Energy: 1.5231827046709572
Energy: 1.5244117437049645
Energy: 1.5272338314043898
Energy: 1.5244117437049645
Energy: 1.529207037046011
Energy: 1.4862213837821048
Energy: 1.3967546789979763
Energy: 1.4862213837800569
Energy: 1.5290788572564407
Energy: 1.482802046610232
Energy: 1.3782865855439248
Energy: 1.482802046610232
Energy: 1.6581285509452612
Energy: 1.5253942942229974
Energy: 1.5220858960407435
Energy: 1.525394294225045

minimum gb energy = 1.3782865855439248 eV
minimum distance =  2.21269364789006 Angstroms
sigma value = 9


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

Energy: 1.8655195680995165
Energy: 1.5916256306227867
Energy: 1.6938567153377304
Energy: 1.690446714146155
Energy: 1.5244291595745012
Energy: 1.471007195825038
Energy: 1.6709201150571646
Energy: 1.4710071958379216
Energy: 1.4785024813059493
Energy: 1.4757484633658706
Energy: 1.7625928467265082
Energy: 1.4757484633681444
Energy: 1.476179387272792
Energy: 1.4734319436532985
Energy: 1.7292851309070385
Energy: 1.4734319436525407
Energy: 1.4716516023509632
Energy: 1.4714641219427207
Energy: 1.7239873586192354
Energy: 1.4714641219427207
Energy: 1.4721423446470938
Energy: 1.4723186920112672
Energy: 1.7247184786023753
Energy: 1.472318692013541
Energy: 1.6690471058387826
Energy: 1.6510975830003332
Energy: 1.6728094784522898
Energy: 1.6510975829988175
Energy: 1.668628305467938
Energy: 1.650884517041061
Energy: 1.6515858787483861
Energy: 1.6508845170433348
Energy: 1.5229175184475037
Energy: 1.6436652538876058
Energy: 1.5609748190085533
Energy: 1.643665253411116
Energy: 1.470179483538218
Energy: 1.5641394371567363
Energy: 1.6528829303226655
Energy: 1.5641394373105137
Energy: 1.5205552028573048
Energy: 1.520856957473378
Energy: 1.5708777455289833
Energy: 1.5208569574695887
Energy: 1.534912463001732
Energy: 1.5214111580161072
Energy: 1.722943281526419
Energy: 1.5214111580191385
Energy: 1.668997717109993
Energy: 1.5213089176570294
Energy: 1.5424715133755367
Energy: 1.5213089176577872
Energy: 1.670737744229628
Energy: 1.5211358434865803
Energy: 1.5240752019467594
Energy: 1.5211358434865803
Energy: 1.6511683390167111
Energy: 1.5374976751180938
Energy: 1.5322720884204284
Energy: 1.537497675127188
Energy: 1.5710950868368914
Energy: 1.6385996123946032
Energy: 1.532671384355131
Energy: 1.6385996124256754
Energy: 1.6569980768448191
Energy: 1.5998072115305033
Energy: 1.5230932737616645
Energy: 1.5998072115275408
Energy: 1.6522672262522062
Energy: 1.6540427978072627
Energy: 1.8658894117092562
Energy: 1.6540427978049892
Energy: 1.6710937754787285
Energy: 1.6016322988540228
Energy: 1.5236140611917375
Energy: 1.6016322989017682
Energy: 1.7693203136216968
Energy: 1.477304232299963
Energy: 1.4748270277102193
Energy: 1.4773042322961738
Energy: 1.768767561493979
Energy: 1.4738855366249268
Energy: 1.4736834987187875
Energy: 1.4738855366203796
Energy: 1.7246084673690556
Energy: 1.4694537500060927
Energy: 1.4709187016187921
Energy: 1.4694537500068505
Energy: 1.723918990389622
Energy: 1.4716863190847584
Energy: 1.4717188134182682
Energy: 1.4716863190771796
Energy: 1.6758353647095905
Energy: 1.650791680760131
Energy: 1.6694112023364693
Energy: 1.6507916807578575
Energy: 1.651711002954696
Energy: 1.650202607254947
Energy: 1.6690188921997422
Energy: 1.6502026072594942
Energy: 1.5358766220851419
Energy: 1.6373241571173318
Energy: 1.5218492104762231
Energy: 1.6373241571165742
Energy: 1.6525993619467036
Energy: 1.6526582156590195
Energy: 1.4697319617881177
Energy: 1.6526582156802396
Energy: 1.570942971729185
Energy: 1.521880775372196
Energy: 1.5206593710627792
Energy: 1.5218807753714385
Energy: 1.8702555418539606
Energy: 1.5310080894037301
Energy: 1.5333355375599524
Energy: 1.5310080894029723
Energy: 1.5407751779968535
Energy: 1.5219235245733866
Energy: 1.6695975977809168
Energy: 1.5219235245726286
Energy: 1.5261587294068248
Energy: 1.5217572848181722
Energy: 1.6476127300154353
Energy: 1.5217572848174143
Energy: 1.52736950368387
Energy: 1.524522942869896
Energy: 1.6518462668353884
Energy: 1.5245229428691383
Energy: 1.5342196892209794
Energy: 1.6385383901489141
Energy: 1.5738055097267607
Energy: 1.638538390149672
Energy: 1.5218462783447666
Energy: 1.6021860666305545
Energy: 1.5790905814440988
Energy: 1.6021860666297967
Energy: 1.8658740866089518
Energy: 1.651220314669519
Energy: 1.6512176440865016
Energy: 1.651220314669519

minimum gb energy = 1.4694537500060927 eV
minimum distance =  2.1790687969129 Angstroms
sigma value = 73


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

Energy: 2.0002143878485366
Energy: 1.5378016116686857
Energy: 1.6551434301810166
Energy: 1.6558686787416648
Energy: 1.5267566424932164
Energy: 1.4916434817071766
Energy: 1.6023258396049231
Energy: 1.4916434773539777
Energy: 1.4959804949909103
Energy: 1.4940249405541381
Energy: 1.7097428714761418
Energy: 1.4940249405577455
Energy: 1.495116801177787
Energy: 1.4919807040391078
Energy: 1.7186528187799406
Energy: 1.4919807040318933
Energy: 1.4906334999139523
Energy: 1.491221613877182
Energy: 1.7442974033331498
Energy: 1.4912216138747776
Energy: 1.5812574424966104
Energy: 1.4910468133765364
Energy: 1.6738097497498041
Energy: 1.4910468133741315
Energy: 1.5917764970837813
Energy: 1.6355442913321387
Energy: 1.663298655036172
Energy: 1.6355442913297338
Energy: 1.622050710931273
Energy: 1.635669475572641
Energy: 1.635688782098195
Energy: 1.6356694755738432
Energy: 1.56068648432599
Energy: 1.7196753574751347
Energy: 1.7095985704400298
Energy: 1.719675357659022
Energy: 1.5492075120303916
Energy: 1.4681774325375432
Energy: 1.6368825504371451
Energy: 1.4681774325399481
Energy: 1.56600209684719
Energy: 1.4656229945101156
Energy: 1.521058291519157
Energy: 1.4656229945101156
Energy: 1.5461019053925327
Energy: 1.4646426543064919
Energy: 1.7850774194226662
Energy: 1.4646426543113018
Energy: 1.6405243303802037
Energy: 1.5784941196261875
Energy: 1.5208242806695353
Energy: 1.5784941196273898
Energy: 1.639911341975654
Energy: 1.5291127846807557
Energy: 1.5267061020831958
Energy: 1.5291127846771484
Energy: 1.677629163118519
Energy: 1.5232828384226502
Energy: 1.5233741095344646
Energy: 1.5232828384226502
Energy: 1.7059325516763582
Energy: 1.5217497677199605
Energy: 1.5234876084599995
Energy: 1.5217497677187581
Energy: 1.7367833646297575
Energy: 1.7520491005828607
Energy: 1.524774823243132
Energy: 1.752049100584063
Energy: 1.610877175592686
Energy: 1.6099508696047875
Energy: 1.5914491064678107
Energy: 1.6099508695975733
Energy: 1.6063885210950901
Energy: 1.6076630535229508
Energy: 1.6218828056089845
Energy: 1.6076630535193435
Energy: 1.6587243643112362
Energy: 1.6051875462587089
Energy: 1.59960518303343
Energy: 1.6051875462587089
Energy: 1.6065055221721127
Energy: 1.6063558372133309
Energy: 1.5247185348240835
Energy: 1.6063558372157358
Energy: 1.7415896717040367
Energy: 1.5985704841308284
Energy: 1.5989074106623264
Energy: 1.5985704841308284

minimum gb energy = 1.4646426543064919 eV
minimum distance =  2.16929761275208 Angstroms
sigma value = 7


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

Energy: 2.3445811660275035
Energy: 1.5035182249959054
Energy: 1.6647321859785222
Energy: 1.664820695273293
Energy: 1.574817427376377
Energy: 1.589975070610777
Energy: 1.6004845294240757
Energy: 1.5899750706192792
Energy: 1.4830833079621102
Energy: 1.4830538137675064
Energy: 1.6107019669557814
Energy: 1.483053813769207
Energy: 1.4864522688120811
Energy: 1.4875810916615733
Energy: 1.740714769322253
Energy: 1.4875810916794283
Energy: 1.484928606915841
Energy: 1.4837172439155646
Energy: 1.6746750460994764
Energy: 1.4837172439240285
Energy: 1.4895165458658999
Energy: 1.4854024657228744
Energy: 1.6827193639170852
Energy: 1.485402465717773
Energy: 1.6696046625081897
Energy: 1.4838879104598688
Energy: 1.4868681630124132
Energy: 1.483887910468371
Energy: 1.6685372290801792
Energy: 1.4899642983379486
Energy: 1.4892139934212467
Energy: 1.4899642983515522
Energy: 1.7447660659583095
Energy: 1.4866334204292913
Energy: 1.4896023803249139
Energy: 1.4866334204216392
Energy: 1.738523762361725
Energy: 1.6797626085136788
Energy: 1.4852232054941634
Energy: 1.679762609586172
Energy: 1.594146760824073
Energy: 1.5962172725635586
Energy: 1.6308521408321022
Energy: 1.5962172725576071
Energy: 1.5964194552060182
Energy: 1.5930964128211331
Energy: 1.669681962462501
Energy: 1.593096412827085
Energy: 1.589563730432448
Energy: 1.5931070504611529
Energy: 1.5929852694001467
Energy: 1.5931070504415974
Energy: 1.5956941356300702
Energy: 1.5824854089845908
Energy: 1.500668090324624
Energy: 1.5824854089726876
Energy: 1.593767329842627
Energy: 1.591831848308603
Energy: 1.4976951597205943
Energy: 1.5918318478581719
Energy: 1.6600108917782688
Energy: 1.591189317931386
Energy: 1.5944302247066668
Energy: 1.5911893179262844
Energy: 1.733887416448584
Energy: 1.5936101739028692
Energy: 1.7408909685198792
Energy: 1.593610173901169
Energy: 1.4856733842605299
Energy: 1.6822063015911606
Energy: 1.6134068804322743
Energy: 1.6822063016107158
Energy: 1.4864595095092366
Energy: 1.4879191631164153
Energy: 1.673184762180501
Energy: 1.4879191631164153
Energy: 1.488546460790262
Energy: 1.4876284566584985
Energy: 1.7370716457398216
Energy: 1.487628456671252
Energy: 1.4873760084588434
Energy: 1.4841007118220078
Energy: 1.6759796615853346
Energy: 1.4841007118126552
Energy: 1.6699561750756537
Energy: 1.485312102534394
Energy: 1.4912061457434491
Energy: 1.485312102526742
Energy: 1.672249273101612
Energy: 1.4840428867090638
Energy: 1.4849091035369797
Energy: 1.4840428867133149
Energy: 1.737875977102712
Energy: 1.4872681055977561
Energy: 1.486641260666376
Energy: 1.4872681055765
Energy: 1.7275077224899706
Energy: 1.4829409698213851
Energy: 1.4843057849751624
Energy: 1.4829409698264866
Energy: 1.6791244604406361
Energy: 1.5896337277912762
Energy: 1.4877184553943819
Energy: 1.5896337277989283
Energy: 1.6637394878871339
Energy: 1.5953234773085752
Energy: 2.028422958369257
Energy: 1.595323477307725
Energy: 1.5909562540422817
Energy: 1.5917774299059757
Energy: 1.593900114860814
Energy: 1.591777429903425
Energy: 1.615793482630734
Energy: 1.5821543944691787
Energy: 1.593505768495551
Energy: 1.5821543944691787
Energy: 1.5927881630718967
Energy: 1.6009898758335863
Energy: 1.500960837684653
Energy: 1.6009898758148813
Energy: 1.6638982432417837
Energy: 1.5891506392101526
Energy: 1.5927830601172204
Energy: 1.5891506392220174

minimum gb energy = 1.4829409698213851 eV
minimum distance =  2.17038720430999 Angstroms
sigma value = 29


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

Energy: 1.407447339202165
Energy: 1.4076747188414425
Energy: 1.575770754430226
Energy: 1.6813396299526997
Energy: 1.4215886991658755
Energy: 1.5441434299882726
Energy: 1.433892245625341
Energy: 1.5441434299891281
Energy: 1.4304379933202525
Energy: 1.5346776375096796
Energy: 1.407043121592078
Energy: 1.5346776375096796
Energy: 1.4145641651262217
Energy: 1.430620136560687
Energy: 1.4298096612232443
Energy: 1.4306201365601277
Energy: 1.4273943999721102
Energy: 1.4294601634105664
Energy: 1.4143368367249163
Energy: 1.4294601634111588
Energy: 1.4282816702564405
Energy: 1.5366148922011074
Energy: 1.4143022970167909
Energy: 1.536614892203707
Energy: 1.4073127129925433
Energy: 1.5347934553830485
Energy: 1.4288986909532357
Energy: 1.534793455382456
Energy: 1.4327803702481339
Energy: 1.4354406356657732
Energy: 1.4168759953295995
Energy: 1.4354406356678135
Energy: 1.4155512285852816
Energy: 1.4317667581474867
Energy: 1.433923100518541
Energy: 1.431766758146335

minimum gb energy = 1.407043121592078 eV
minimum distance =  2.17658227287398 Angstroms
sigma value = 5


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

Energy: 1.8846563540382137
Energy: 1.3332743977852326
Energy: 1.5693693164222984
Energy: 1.566039002308634
Energy: 1.3841998437705108
Energy: 1.371221761801343
Energy: 1.636340998143676
Energy: 1.37122176180054
Energy: 1.5956507872669004
Energy: 1.4734748311502952
Energy: 1.624490012349255
Energy: 1.4734748311510986
Energy: 1.3881149619893516
Energy: 1.3600235601138222
Energy: 1.5762411392644633
Energy: 1.3600235602326152
Energy: 1.3657755338064066
Energy: 1.361518841212045
Energy: 1.607641372670517
Energy: 1.3615188412104384
Energy: 1.3619540859503958
Energy: 1.3617070668271958
Energy: 1.614136120308198
Energy: 1.3617070668207707
Energy: 1.362241352090831
Energy: 1.3592406481705164
Energy: 1.5808189690825085
Energy: 1.359240648174532
Energy: 1.376291752570326
Energy: 1.368633526060963
Energy: 1.76923779703519
Energy: 1.3686335260601599
Energy: 1.396666457413486
Energy: 1.417020474384011
Energy: 1.8229947929586652
Energy: 1.417020474384814
Energy: 1.633091259858377
Energy: 1.3384795200159845
Energy: 1.3461680891256873
Energy: 1.3384795200151813
Energy: 1.3929115638125005
Energy: 1.3385515857056234
Energy: 1.3391402161343584
Energy: 1.3385515857064265
Energy: 1.8232264379337013
Energy: 1.3352473333905295
Energy: 1.336612676584068
Energy: 1.3352473333897263
Energy: 1.8394171485460988
Energy: 1.3366743866258766
Energy: 1.3353383136358068
Energy: 1.3366743866298925
Energy: 1.3613075835530368
Energy: 1.4150073309289184
Energy: 1.6097807268275384
Energy: 1.4150073309337374
Energy: 1.3669381166327903
Energy: 1.363064305521337
Energy: 1.6070343144358878
Energy: 1.3630643055197305
Energy: 1.3709375028195465
Energy: 1.3659035612643549
Energy: 1.573821319309175
Energy: 1.3659035612595358
Energy: 1.3614357049216181
Energy: 1.3621723842342857
Energy: 1.3828606193568187
Energy: 1.3621723842358922
Energy: 1.6058639550371419
Energy: 1.3746177322648618
Energy: 1.362388435452658
Energy: 1.374617732267271
Energy: 1.6435222450829186
Energy: 1.4756141444683786
Energy: 1.5950772490938008
Energy: 1.475614144470788
Energy: 1.5799712861943143
Energy: 1.3594031856394266
Energy: 1.3834292961723267
Energy: 1.3594031856265762
Energy: 1.6131324934931563
Energy: 1.3642852805697252
Energy: 1.5783408538287511
Energy: 1.3642852805721346
Energy: 1.6079315216258319
Energy: 1.360800540521473
Energy: 1.359940476520312
Energy: 1.360800540521473
Energy: 1.5820938433940253
Energy: 1.3616379766982118
Energy: 1.3633644543841192
Energy: 1.3616379767046372
Energy: 1.8466657296329259
Energy: 1.368168038547072
Energy: 1.3766503290525731
Energy: 1.368168038547072
Energy: 1.8367504747103978
Energy: 1.4150578491387469
Energy: 1.3935849824368303
Energy: 1.4150578491379437
Energy: 1.3358874285016087
Energy: 1.340341044634388
Energy: 1.6329294103324634
Energy: 1.340341044634388
Energy: 1.339095465463447
Energy: 1.3384984657568608
Energy: 1.3964989549681097
Energy: 1.3384984657592702
Energy: 1.3373999486995745
Energy: 1.337985043061488
Energy: 1.4225679985659947
Energy: 1.337985043061488
Energy: 1.3355983238847307
Energy: 1.337418908579225
Energy: 1.856875145309669
Energy: 1.3374189085776187
Energy: 1.6318432599083232
Energy: 1.414111900317631
Energy: 1.388822128114337
Energy: 1.4141119003168279
Energy: 1.6085327517245656
Energy: 1.3655388435739952
Energy: 1.3728574626510388
Energy: 1.3655388435764046
Energy: 1.573771389114813
Energy: 1.3647874713127786
Energy: 1.3720678577334633
Energy: 1.3647874713087627
Energy: 1.3857853485442295
Energy: 1.3609347269492382
Energy: 1.3601858035328707
Energy: 1.3609347279736177

minimum gb energy = 1.3332743977852326 eV
minimum distance =  2.15436985269793 Angstroms
sigma value = 1


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

Energy: 2.0097092706688504
Energy: 1.2652583977226188
Energy: 1.5165131277483908
Energy: 1.2962781689049097
Energy: 1.315437195311587
Energy: 1.3021131845935996
Energy: 1.6117564327780827
Energy: 1.3021131845969312
Energy: 1.618382947096955
Energy: 1.4397179940574276
Energy: 1.62857304184557
Energy: 1.439717994054096
Energy: 1.3195131386873242
Energy: 1.4415596630874246
Energy: 1.5907643202940567
Energy: 1.4415596630929768
Energy: 1.2956581525356303
Energy: 1.2947599767544116
Energy: 1.602998633313555
Energy: 1.2947599767533011
Energy: 1.2952817051759655
Energy: 1.2951724704110297
Energy: 1.6046245691864145
Energy: 1.2951724704121401
Energy: 1.2919330049924893
Energy: 1.2932230110667629
Energy: 1.591425565934252
Energy: 1.2932230110545477
Energy: 1.2959223307755885
Energy: 1.305370252382289
Energy: 1.8543413457794535
Energy: 1.3053702523878414
Energy: 1.5929085105021499
Energy: 1.377923745897037
Energy: 1.864529890150808
Energy: 1.377923745897037
Energy: 1.6624726183621545
Energy: 1.3094974478790615
Energy: 1.3072008628210148
Energy: 1.3094974478823929
Energy: 1.5934572312747115
Energy: 1.2946431260650364
Energy: 1.291826633279293
Energy: 1.294643126059484
Energy: 1.8488923868446137
Energy: 1.2968000334071972
Energy: 1.296820903618029
Energy: 1.2968000334105285
Energy: 1.8492481265386291
Energy: 1.2951308744317582
Energy: 1.2949021073851439
Energy: 1.2951308744494754
Energy: 1.2955047919373541
Energy: 1.437732937554836
Energy: 1.628718134227491
Energy: 1.4377329375570567
Energy: 1.3155953966884415
Energy: 1.4391638549691173
Energy: 1.6151392571091308
Energy: 1.439163854965786
Energy: 1.3159078030564084
Energy: 1.2981840375435423
Energy: 1.2973453414882785
Energy: 1.2981840375413216
Energy: 1.2956490622662387
Energy: 1.2966019358356053
Energy: 1.6088195018407578
Energy: 1.2966019358411576
Energy: 1.3158732302908245
Energy: 1.3068341365764446
Energy: 1.6138175200422307
Energy: 1.306834136573113
Energy: 1.2918973183687599
Energy: 1.2936964941410094
Energy: 1.8528165225136772
Energy: 1.2936964941365676
Energy: 1.2994594514235207
Energy: 1.3076326501308888
Energy: 1.85454831213469
Energy: 1.307632650136441
Energy: 1.6037198842881228
Energy: 1.3743302139646956
Energy: 1.2970388474751249
Energy: 1.374330213961364
Energy: 1.6060154489661196
Energy: 1.2983575728975532
Energy: 1.3029954315790557
Energy: 1.298357572899774
Energy: 1.2970033606634819
Energy: 1.2950489682236055
Energy: 1.29753680641838
Energy: 1.2950489682180528
Energy: 1.8490311922646294
Energy: 1.2952406337604976
Energy: 1.2939695085663436
Energy: 1.2952406337516138

minimum gb energy = 1.2652583977226188 eV
minimum distance =  2.15990771300146 Angstroms
sigma value = 17


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

Energy: 2.145480434008847
Energy: 1.2523037111367692
Energy: 1.507420117579737
Energy: 1.5083932000692553
Energy: 1.3337729916585914
Energy: 1.277276330706503
Energy: 1.4706052885866583
Energy: 1.2772763307023844
Energy: 1.634959187338917
Energy: 1.2689701414192565
Energy: 1.4988823083056269
Energy: 1.2689701414357293
Energy: 1.6971640883891383
Energy: 1.3494129798732009
Energy: 1.4558913291725482
Energy: 1.3494129798608463
Energy: 1.4402613186440487
Energy: 1.2530432974282544
Energy: 1.703694580471386
Energy: 1.2530432974282544
Energy: 1.254635333494038
Energy: 1.2525143874587858
Energy: 1.6988997849427363
Energy: 1.2525143874615312
Energy: 1.2538880453036811
Energy: 1.2526833965015325
Energy: 1.2892406465685904
Energy: 1.2526833965008461
Energy: 1.2642125435319327
Energy: 1.2559783219889336
Energy: 1.693518439459091
Energy: 1.2559783219937384
Energy: 1.6759063629029087
Energy: 1.2597600849618642
Energy: 1.6329550415699923
Energy: 1.2597600849598052
Energy: 1.4952953835241782
Energy: 1.3538644390974823
Energy: 1.492320049615824
Energy: 1.353864439094737
Energy: 1.665078772248612
Energy: 1.268862318649518
Energy: 1.2835037583848323
Energy: 1.2688623174591673
Energy: 1.6597687447933067
Energy: 1.274124495693411
Energy: 1.4612572469148466
Energy: 1.2741244956906659
Energy: 1.660930277911937
Energy: 1.269978368914863
Energy: 1.270660677967772
Energy: 1.2699783689107447
Energy: 1.2702018266970547
Energy: 1.2707825138433966
Energy: 1.2736163627499695
Energy: 1.2707825138502604
Energy: 1.6908342541223806
Energy: 1.2745906646615313
Energy: 1.2782979487108974
Energy: 1.274590664664963
Energy: 1.6930916246584504
Energy: 1.2721459704625706
Energy: 1.2762267946120907
Energy: 1.2721459704515885
Energy: 1.2696452595608225
Energy: 1.4672462868661544
Energy: 1.9296520526359286
Energy: 1.4672462868537999
Energy: 1.2701667732846469
Energy: 1.2705771699165185
Energy: 1.671218137502636
Energy: 1.2705771699103412
Energy: 1.2943387822806798
Energy: 1.2772188876468835
Energy: 1.6289060055735827
Energy: 1.277218887649629
Energy: 1.2731485389717538
Energy: 1.2708379673842007
Energy: 2.1445396062784208
Energy: 1.270837967382828
Energy: 1.483207181400833
Energy: 1.274146966585046
Energy: 1.2711165719480417
Energy: 1.274146966618678
Energy: 1.5070595709273444
Energy: 1.2695370875836953
Energy: 1.6920390429846508
Energy: 1.2695370875878136
Energy: 1.457457116810933
Energy: 1.3456031243694773
Energy: 1.6938069625134695
Energy: 1.34560312437085
Energy: 1.8659882425940182
Energy: 1.2548492649345635
Energy: 1.4775758614408203
Energy: 1.2548492649318181
Energy: 1.659280085181852
Energy: 1.2516913361898747
Energy: 1.2532565353992906
Energy: 1.2516913361864428
Energy: 1.4579971535512195
Energy: 1.25400678179671
Energy: 1.2567625777744156
Energy: 1.254006781800142
Energy: 2.1444423140666085
Energy: 1.2610246674374659
Energy: 1.2619625457774257
Energy: 1.2610246674354693
Energy: 1.4618000991568085
Energy: 1.255523882599155
Energy: 1.6746628398880128
Energy: 1.2555238826039594
Energy: 1.471786999421965
Energy: 1.3494215263519729
Energy: 1.5050322272555088
Energy: 1.3494215263519729
Energy: 1.2856429217139334
Energy: 1.2694920519550805
Energy: 1.6630405564373938
Energy: 1.2694920519530217
Energy: 1.4587114123851301
Energy: 1.2709682385858996
Energy: 1.6592709614204924
Energy: 1.2709682385865861
Energy: 1.269989463057888
Energy: 1.2712297491493527
Energy: 1.6610862434612088
Energy: 1.2712297491493527
Energy: 1.2697662479235055
Energy: 1.268163815479046
Energy: 1.4941837714030535
Energy: 1.268163815479046
Energy: 1.2835452069771196
Energy: 1.276443799487598
Energy: 1.7107547356090957
Energy: 1.2764437994848525
Energy: 1.2789194358389855
Energy: 1.3208085732536479
Energy: 1.692662103926003
Energy: 1.3208085732570798
Energy: 1.934757597337286
Energy: 1.2882157328354866
Energy: 1.272032149884655
Energy: 1.2882157328334276
Energy: 1.6705147815898802
Energy: 1.269152022776202
Energy: 1.2696918309851657
Energy: 1.2691520227748296
Energy: 1.63243880834664
Energy: 1.2940199910030656
Energy: 1.2710773068935182
Energy: 1.2940199910113022

minimum gb energy = 1.2516913361864428 eV
minimum distance =  2.17029121601156 Angstroms
sigma value = 89


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

Energy: 2.2717082987071597
Energy: 1.1498112934087306
Energy: 1.4190064614173008
Energy: 1.157104277437541
Energy: 1.1462495409161004
Energy: 1.2817757848865106
Energy: 1.1557748308570213
Energy: 1.2817757848865106
Energy: 1.1454008073602262
Energy: 1.2845508319647463
Energy: 1.1910375481516915
Energy: 1.2845508319647463
Energy: 1.149799975096145
Energy: 1.2699105009293286
Energy: 1.1573126883159437
Energy: 1.2699105009293286
Energy: 1.1571055746109384
Energy: 1.1580316485136908
Energy: 1.1813647948196995
Energy: 1.1580316485154867
Energy: 1.158169650773064
Energy: 1.1560447131005138
Energy: 1.179825987052311
Energy: 1.1560447131005138
Energy: 1.1572485585406516
Energy: 1.154985713601648
Energy: 1.1588303068453074
Energy: 1.154985713601648
Energy: 1.155917050419836
Energy: 1.1611286744489875
Energy: 1.1469272354528732
Energy: 1.1611286744471916
Energy: 1.156800881099953
Energy: 1.1544949962129825
Energy: 1.1460233220651537
Energy: 1.1544949962147784
Energy: 1.1909818975753104
Energy: 1.2882422789909835
Energy: 1.158088894063002
Energy: 1.2882422789909835
Energy: 1.1591306985899568
Energy: 1.266851517928962
Energy: 1.145637655848972
Energy: 1.266851517928962
Energy: 1.1790410926938975
Energy: 1.1560841719347985
Energy: 1.1596929326341356
Energy: 1.1560841719347985
Energy: 1.178585391867264
Energy: 1.159673804388904
Energy: 1.1569538119021112
Energy: 1.1596738043871082
Energy: 1.1576608291794848
Energy: 1.1545907666396131
Energy: 1.153907316916049
Energy: 1.1545907666396131
Energy: 1.146672636470586
Energy: 1.1587821816983555
Energy: 1.161802569033512
Energy: 1.1587821817019472

minimum gb energy = 1.1454008073602262 eV
minimum distance =  2.18869736537533 Angstroms
sigma value = 13


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

Energy: 2.0100821975178884
Energy: 1.0829827026283796
Energy: 1.3766291410874676
Energy: 1.0900943149389501
Energy: 1.0931573421731382
Energy: 1.0884683312489734
Energy: 1.3169219235459135
Energy: 1.0884683312399406
Energy: 1.092794066394116
Energy: 1.0871119390219481
Energy: 1.323149575598949
Energy: 1.0871119390332389
Energy: 1.5470908753263384
Energy: 1.0895307236420877
Energy: 1.3001576451758132
Energy: 1.0895307236443457
Energy: 1.3048162984439173
Energy: 1.089544661236026
Energy: 1.5727591095021431
Energy: 1.0895446612232298
Energy: 1.315291646897483
Energy: 1.0899105036037466
Energy: 1.295908356959416
Energy: 1.0899105036203067
Energy: 1.3105362132388976
Energy: 1.0880407940846477
Energy: 1.2972736965997154
Energy: 1.088040794080884
Energy: 1.0971689949121892
Energy: 1.0875602407472078
Energy: 1.3286405217550588
Energy: 1.0875602407299636
Energy: 1.0853676600745563
Energy: 1.0921839071088344
Energy: 1.3070043850347433
Energy: 1.0921839071200565
Energy: 1.0867334441938208
Energy: 1.08823320415294
Energy: 1.3062588933748442
Energy: 1.0882332041417173
Energy: 1.091307136208489
Energy: 1.088484424722177
Energy: 2.0096917854521
Energy: 1.0884844247146497
Energy: 1.3214892547151251
Energy: 1.157960398514552
Energy: 1.3058072957625022
Energy: 1.1579603985213263
Energy: 1.3424384439756947
Energy: 1.1579692981177703
Energy: 1.295793832267608
Energy: 1.1579692981049738
Energy: 1.3007568869305768
Energy: 1.1625554299527021
Energy: 1.5481910361413471
Energy: 1.1625554299504441
Energy: 1.327665962094996
Energy: 1.0903881177178345
Energy: 1.302943762977031
Energy: 1.0903881177261145
Energy: 1.3260575305380824
Energy: 1.0891555276390676
Energy: 1.0919790535041407
Energy: 1.0891555276322933
Energy: 1.296701078277685
Energy: 1.0870418694197246
Energy: 1.0884285397375175
Energy: 1.0870418694332737
Energy: 2.0076033051023727
Energy: 1.0873629222544547
Energy: 1.0894517064191116
Energy: 1.0873629222589714
Energy: 1.4916226983742695
Energy: 1.1059177321691314
Energy: 1.2963789289263263
Energy: 1.1059177321819276
Energy: 1.3048378926737292
Energy: 1.0860151228903527
Energy: 1.3217228768408102
Energy: 1.0860151228948691
Energy: 1.543105269898847
Energy: 1.0868281861948395
Energy: 1.2956211249500922
Energy: 1.086828186190323
Energy: 1.303615321001237
Energy: 1.086752167700301
Energy: 1.3214917710025205
Energy: 1.0867521677055703
Energy: 1.3131084694276631
Energy: 1.090379735215254
Energy: 1.31836748398332
Energy: 1.0903797352062212
Energy: 1.0936891802480249
Energy: 1.0859305059448612
Energy: 1.3016135554202464
Energy: 1.0859305059335702
Energy: 1.2980262373109284
Energy: 1.0886530313308656
Energy: 1.3272044589868717
Energy: 1.0886530313451672
Energy: 1.0894389776029658
Energy: 1.0866807980077497
Energy: 1.3234565717645617
Energy: 1.0866807979979642
Energy: 1.086508051692201
Energy: 1.086290892063616
Energy: 1.3024618053896855
Energy: 1.0862908920643688
Energy: 1.086316525180554
Energy: 1.0938527155787534
Energy: 1.1235444923175495
Energy: 1.0938527155727316
Energy: 1.2940543569922935
Energy: 1.0867202513259944
Energy: 1.496191409685363
Energy: 1.0867202513139507
Energy: 1.3179107925738607
Energy: 1.1628737232442827
Energy: 1.294494701082971
Energy: 1.16287372324353
Energy: 1.2976712785605604
Energy: 1.1566525757103419
Energy: 1.5420373290972103
Energy: 1.1566525757238908
Energy: 1.3091250862094175
Energy: 1.0885730373148108
Energy: 1.294118882853715
Energy: 1.0885730373223383
Energy: 1.329292785434308
Energy: 1.0912859806830735
Energy: 1.1102008959104828
Energy: 1.0912859806740407
Energy: 1.5326119522182338
Energy: 1.0867189053961788
Energy: 1.0874099000939268
Energy: 1.0867189053916622
Energy: 1.4934182598861265
Energy: 1.0883694917465596
Energy: 1.0929622043449903
Energy: 1.0883694917405378

minimum gb energy = 1.0829827026283796 eV
minimum distance =  2.18362176239611 Angstroms
sigma value = 37


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

Energy: 1.9624774655293633
Energy: 1.0062378330956068
Energy: 1.3194516950141162
Energy: 1.0171485377977418
Energy: 1.5457017747181032
Energy: 1.0178762108178199
Energy: 1.3868751625086568
Energy: 1.0178762108178199
Energy: 1.5389926762463777
Energy: 1.0153192243458018
Energy: 1.3827729559880122
Energy: 1.0153192243458018
Energy: 1.537599031796121
Energy: 1.1558923353316082
Energy: 1.3707516275716756
Energy: 1.1558923353277233
Energy: 1.3373761151675334
Energy: 1.0002289249828418
Energy: 1.5461703930246877
Energy: 1.0002289249828418
Energy: 1.1888673432915384
Energy: 1.0001818285537658
Energy: 1.172528137356823
Energy: 1.0001818285511757
Energy: 1.1881269289176204
Energy: 0.9985022810211591
Energy: 1.3555149755119855
Energy: 0.9985022810198642
Energy: 1.1947393789823129
Energy: 0.9892742391353888
Energy: 1.5532791927158087
Energy: 0.9892742391327988
Energy: 1.1764169577471701
Energy: 0.9949815213886829
Energy: 1.5510500533591949
Energy: 0.994981521389978
Energy: 1.1766953107457763
Energy: 0.9850310873414372
Energy: 1.695955632391802
Energy: 0.9850310873427324
Energy: 1.2274277673343532
Energy: 1.2261860196232748
Energy: 1.761583703587347
Energy: 1.2261860196219798
Energy: 1.5347785545706247
Energy: 0.9849941009667427
Energy: 1.6970415294360979
Energy: 0.9849941009693327
Energy: 1.5426300606149204
Energy: 0.9840097547025994
Energy: 1.5383003961491015
Energy: 0.9840097547013043
Energy: 1.532097161459864
Energy: 1.1145756912887526
Energy: 1.5379687062629317
Energy: 1.1145756912874574
Energy: 1.5461703930220974
Energy: 1.1318506776977335
Energy: 0.984771005896044
Energy: 1.1318506777029134
Energy: 1.1725281414848456
Energy: 1.1307121127535924
Energy: 1.1876591447384366
Energy: 1.1307121127497073
Energy: 1.699817947347505
Energy: 1.1135813415187903
Energy: 1.188061692059216
Energy: 1.1135813415174953
Energy: 1.5532791712600866
Energy: 1.026570935088948
Energy: 1.0315318701675606
Energy: 1.0265709350915382
Energy: 1.551050054899584
Energy: 1.0152102106005683
Energy: 1.015959848712487
Energy: 1.0152102106005683
Energy: 1.5391863210044525
Energy: 1.0181476618730525
Energy: 1.027606198330902
Energy: 1.0181476618730525

minimum gb energy = 0.9840097547013043 eV
minimum distance =  2.17245527605994 Angstroms
sigma value = 25


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

Energy: 2.0875988905385734
Energy: 0.8918166237557357
Energy: 1.2151199070370011
Energy: 0.8826801787585076
Energy: 1.7044739765495152
Energy: 0.8805911564922908
Energy: 1.1722961026018568
Energy: 0.8805911564933021
Energy: 1.9341606772357995
Energy: 0.8789954485404968
Energy: 1.1811564008857367
Energy: 0.8789954485415079
Energy: 1.4766778321288188
Energy: 0.8806470847476359
Energy: 1.174197761726272
Energy: 0.8806470847466247
Energy: 1.4816597789218355
Energy: 0.9825711858765401
Energy: 1.7070306927457568
Energy: 0.9825711858765401
Energy: 1.4637763154803887
Energy: 0.9822717809259668
Energy: 1.7039607935195273
Energy: 0.9822717809219218
Energy: 1.4704675934021407
Energy: 0.9820962637700777
Energy: 1.7001971146972035
Energy: 0.9820962637710889
Energy: 1.1719151918887967
Energy: 0.8804379536899105
Energy: 1.7010275040877405
Energy: 0.8804379536980007
Energy: 1.1954064952004364
Energy: 0.8788165101803763
Energy: 1.7006863761446902
Energy: 0.8788165101803763
Energy: 1.1875960233031753
Energy: 0.8806298512972784
Energy: 1.6995650283498578
Energy: 0.8806298512982899
Energy: 0.879681978080228
Energy: 0.8802472808145101
Energy: 1.7792514059100442
Energy: 0.8802472808185552
Energy: 0.8849767538999632
Energy: 0.8806898800669968
Energy: 1.7001700127733343
Energy: 0.8806898800649742
Energy: 0.8813444395099179
Energy: 0.8800998608250407
Energy: 1.4674376199778205
Energy: 0.8800998608250407
Energy: 0.9013665216256199
Energy: 0.8822481574965491
Energy: 1.9240413247116777
Energy: 0.8822481574894703
Energy: 1.1852397877003376
Energy: 0.8786670702255636
Energy: 1.9402802601338516
Energy: 0.8786670702255636
Energy: 1.1886333809967582
Energy: 0.8810543776643999
Energy: 1.9279413755356591
Energy: 0.8810543776633887
Energy: 1.4814605677905952
Energy: 0.8819599119460431
Energy: 1.9588942578464434
Energy: 0.8819599119480657
Energy: 1.1774546604425662
Energy: 0.9845944182621187
Energy: 1.4812188905100059
Energy: 0.9845944182621187
Energy: 1.7010802154734885
Energy: 0.9835465452914428
Energy: 1.4695547216071756
Energy: 0.9835465452894204
Energy: 1.4822802149590777
Energy: 0.9815446972612907
Energy: 1.4695325919126807
Energy: 0.9815446972592683
Energy: 1.7835157846635799
Energy: 0.8824220169366809
Energy: 1.1819038143764906
Energy: 0.8824220169003215
Energy: 1.7020416197971717
Energy: 0.8779654240319726
Energy: 0.8797223123912133
Energy: 0.8779654240309614
Energy: 1.928147222491743
Energy: 0.8839547917972196
Energy: 1.1717490004692455
Energy: 0.8839547917962084
Energy: 1.7128411990708876
Energy: 0.883161135695024
Energy: 0.880881830465688
Energy: 0.8831611357010455
Energy: 1.7032646910255929
Energy: 0.8787842965895096
Energy: 0.8797394065111861
Energy: 0.8787842965884983
Energy: 1.923574676366497
Energy: 0.8819450305956728
Energy: 0.8870373936806129
Energy: 0.8819450305956728

minimum gb energy = 0.8779654240309614 eV
minimum distance =  2.19205471600401 Angstroms
sigma value = 41


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

Energy: 2.2972331270999082
Energy: 0.8142127686265259
Energy: 1.1538824092101356
Energy: 0.7989402744900549
Energy: 1.6894053967348872
Energy: 0.8004970626323568
Energy: 1.041209674878694
Energy: 0.8004970626315278
Energy: 2.0923971862524846
Energy: 0.7978232575695402
Energy: 1.0455593664674006
Energy: 0.7978232575703694
Energy: 1.6865838838818876
Energy: 0.8014701239513555
Energy: 1.0473872716074015
Energy: 0.8014701239538429
Energy: 1.6983870995105415
Energy: 0.7956000086516558
Energy: 1.5062795152627586
Energy: 0.7956000086491687
Energy: 1.691169777598998
Energy: 0.7985393060845853
Energy: 1.4936416572089335
Energy: 0.798539306082098
Energy: 1.7055483581687971
Energy: 0.8852622917375418
Energy: 1.698113876962514
Energy: 0.8852622917391999
Energy: 1.507961751714238
Energy: 0.8908821661098687
Energy: 1.4976672582337345
Energy: 0.8908821661073816
Energy: 1.2868154466584767
Energy: 0.7962344992929608
Energy: 1.8916513381752436
Energy: 0.7962344993012513
Energy: 1.287226789065504
Energy: 0.7961247187033315
Energy: 1.700996496949106
Energy: 0.7961247187066476
Energy: 1.0461475795812725
Energy: 0.80428772337743
Energy: 2.0325910670575813
Energy: 0.8042877233442675
Energy: 1.0498547474003428
Energy: 0.7968110688965064
Energy: 1.699592525991453
Energy: 0.7968110688989937
Energy: 1.046003290533378
Energy: 0.8009144717957793
Energy: 2.0845737038001704
Energy: 0.8009144717932921
Energy: 0.7982665807271513
Energy: 0.8025589713807115
Energy: 1.8842571572983513
Energy: 0.8025589713790534
Energy: 0.8000360157583574
Energy: 0.7975597936869689
Energy: 1.8903567616327952
Energy: 0.7975597936861398
Energy: 0.8058033580391767
Energy: 0.8003781719738088
Energy: 2.0813846999259473
Energy: 0.8003781719738088
Energy: 1.0540452066297235
Energy: 0.8039644916054848
Energy: 2.082073465452254
Energy: 0.8039644916063139
Energy: 1.0434947770227383
Energy: 0.7968743096749688
Energy: 1.8961172860693196
Energy: 0.7968743095224965
Energy: 1.0475739490913734
Energy: 0.7988743231549136
Energy: 1.6999649952050178
Energy: 0.7988743231540844
Energy: 1.4933058169401396
Energy: 0.7994962194336173
Energy: 1.692082322841917
Energy: 0.7994962194352754
Energy: 1.5391153574193854
Energy: 0.7969954115873
Energy: 1.6998118755103344
Energy: 0.7969954115897873
Energy: 1.4943539059999889
Energy: 0.887845874102279
Energy: 1.6864883136313495
Energy: 0.8878458741006209
Energy: 1.8975673745350214
Energy: 0.8818909126912069
Energy: 1.6896353137050282
Energy: 0.8818909126903779
Energy: 1.4959996092619967
Energy: 0.8899477814607661
Energy: 1.4925385541599152
Energy: 0.8899477814566208
Energy: 1.8906009876261807
Energy: 0.7967162243631758
Energy: 1.2831305344385873
Energy: 0.7967162243540561
Energy: 1.89788563777781
Energy: 0.7987074031578137
Energy: 1.4953917765033455
Energy: 0.7987074031586427
Energy: 1.886451918700104
Energy: 0.8022112481029278
Energy: 1.0492679219531842
Energy: 0.8022112481012695
Energy: 1.893990854707749
Energy: 0.7967785783218377
Energy: 1.0524912740325676
Energy: 0.7967785515127206
Energy: 1.8848509464128373
Energy: 0.7987085675847735
Energy: 1.0533004803929695
Energy: 0.7987085675831154
Energy: 1.891190742537087
Energy: 0.8013252107676062
Energy: 0.8006632344230035
Energy: 0.8013252107684352
Energy: 2.0975131675990846
Energy: 0.7989079281390047
Energy: 0.7994049118906621
Energy: 0.7989079281414918
Energy: 2.0804692187990907
Energy: 0.8023169058221695
Energy: 0.7982687017600095
Energy: 0.8023169058171952

minimum gb energy = 0.7956000086491687 eV
minimum distance =  2.19384011420613 Angstroms
sigma value = 15


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

Energy: 1.9907310855236235
Energy: 0.7546793521886648
Energy: 1.105528124165824
Energy: 0.7415795036743977
Energy: 1.8525993662190259
Energy: 0.7373497072381545
Energy: 0.9409362474330216
Energy: 0.7373497072388567
Energy: 2.2039608145554292
Energy: 0.7360694098928996
Energy: 0.9481094114839902
Energy: 0.7360694098950066
Energy: 1.8526897193429697
Energy: 0.7394631814711048
Energy: 1.3478110263306613
Energy: 0.7394631814781281
Energy: 1.8612151632574219
Energy: 0.7321844903605743
Energy: 1.3343459163148106
Energy: 0.7321844903690023
Energy: 1.860439983006907
Energy: 0.7343162378586843
Energy: 1.3361409743612191
Energy: 0.7343162378600888
Energy: 1.5103072455346689
Energy: 1.0558333400383002
Energy: 1.6849856261167098
Energy: 1.0558333400411095
Energy: 1.6883452550768676
Energy: 1.0551950874207991
Energy: 1.338945717233769
Energy: 1.055195087416585
Energy: 1.5074136630095194
Energy: 0.810292618055612
Energy: 1.680024904643903
Energy: 0.8102926180542074
Energy: 1.5056798323012994
Energy: 1.0573597586350236
Energy: 1.8670815369562515
Energy: 1.0573597586357257
Energy: 1.3429080134660683
Energy: 0.7371169668075304
Energy: 1.784687401261552
Energy: 0.7371169654954446
Energy: 1.1490015949206949
Energy: 0.7325471664097462
Energy: 2.026408481807601
Energy: 0.7325471664111508
Energy: 1.334769456286176
Energy: 0.7337301251395416
Energy: 2.028170380098688
Energy: 0.7337301251367324
Energy: 0.9628123465973963
Energy: 0.7390108892817566
Energy: 1.6895294780625847
Energy: 0.7390108892817566
Energy: 0.9594249326290198
Energy: 0.7333996737280162
Energy: 2.0354335660784764
Energy: 0.7333996737287185
Energy: 0.9639567086461335
Energy: 0.7386815732533957
Energy: 2.0293110554391705
Energy: 0.7386815732498839
Energy: 0.7445949718871646
Energy: 0.7375528283822999
Energy: 2.022160486049932
Energy: 0.7375528283808953
Energy: 0.7339171263970335
Energy: 0.7340408088272304
Energy: 2.027030892347958
Energy: 0.734040808828635
Energy: 0.7430530473003627
Energy: 0.7392689215832942
Energy: 1.8614954634078045
Energy: 0.7392689215804849
Energy: 0.9591418482080534
Energy: 0.7374023392568962
Energy: 2.2037305642726612
Energy: 0.7374023392597056
Energy: 0.9380317728505851
Energy: 0.7336929290933782
Energy: 2.025171156796291
Energy: 0.7336929290912714
Energy: 0.9664459766700693
Energy: 0.7381684863050615
Energy: 1.8515285647161475
Energy: 0.7381684863057638
Energy: 1.3436400599402707
Energy: 0.7347529859206292
Energy: 1.8549211720348915
Energy: 0.7347529859234385
Energy: 1.341948975712405
Energy: 0.7333771203142443
Energy: 1.8640222160495825
Energy: 0.7333771203170536
Energy: 1.353797596502873
Energy: 0.7364870055146908
Energy: 1.5592797048921827
Energy: 0.7364870055055605
Energy: 1.6939543354413795
Energy: 1.057785546447545
Energy: 1.864907429186342
Energy: 1.0577855464482473
Energy: 1.334793358463778
Energy: 0.8078496924551634
Energy: 1.6874559516441945
Energy: 0.807849692450247
Energy: 1.6907142619123443
Energy: 1.0553972531175355
Energy: 1.5222127947961959
Energy: 1.055397253101382
Energy: 1.6855114505324427
Energy: 1.0556971292959427
Energy: 1.6841879047202024
Energy: 1.0556971292938357
Energy: 1.6855127491088915
Energy: 0.7338064939924402
Energy: 1.350562107267407
Energy: 0.7338064939952497
Energy: 1.8609259474248707
Energy: 0.7324122917662379
Energy: 1.1486230673289723
Energy: 0.7324122917662379
Energy: 1.6956143576073768
Energy: 0.7382362580019762
Energy: 1.3492656009405888
Energy: 0.7382362580139159
Energy: 2.028565218903769
Energy: 0.7358437144822022
Energy: 0.9561049659311371
Energy: 0.7358437144822022
Energy: 2.0265677967471225
Energy: 0.7361551676223889
Energy: 0.9744638768639938
Energy: 0.7361551676209843
Energy: 2.0212314369169198
Energy: 0.7420501992071213
Energy: 0.758794294124703
Energy: 0.7420501991945432
Energy: 2.2048433755736827
Energy: 0.7359685792474238
Energy: 0.7415211605519187
Energy: 0.7359685792502332
Energy: 2.198050388098459
Energy: 0.7369375721196127
Energy: 0.7388596804743693
Energy: 0.7369375721132917

minimum gb energy = 0.7321844903605743 eV
minimum distance =  2.19886239361743 Angstroms
sigma value = 85


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

Energy: 2.216853445876333
Energy: 0.6792863219457532
Energy: 0.8960661151624565
Energy: 0.6924742522926004
Energy: 2.0332491596655395
Energy: 0.6660844079832172
Energy: 0.8507954393872028
Energy: 0.6660844079838264
Energy: 2.0300061665761113
Energy: 0.6653499952277329
Energy: 0.8611252165826733
Energy: 0.6653499952301694
Energy: 1.7230934878088902
Energy: 0.6635115707955722
Energy: 1.2130025767806512
Energy: 0.6635115708101914
Energy: 1.9665839856279885
Energy: 0.662882226631573
Energy: 1.1909271578946439
Energy: 0.6628822266327913
Energy: 1.7279766670204713
Energy: 0.6640494861910928
Energy: 1.1917771946804065
Energy: 0.6640494861868289
Energy: 1.7415112044926555
Energy: 0.6639918050510157
Energy: 1.4980405314913727
Energy: 0.6639918050461427
Energy: 1.808262752013711
Energy: 0.6631281169846712
Energy: 1.2650418916901531
Energy: 0.6631281171204528
Energy: 1.738889382007526
Energy: 0.9802383744210605
Energy: 1.4979026367340478
Energy: 0.9802383744167967
Energy: 1.726963451319687
Energy: 1.228840192142715
Energy: 1.806439463525963
Energy: 1.2288401921439054
Energy: 1.499239536357842
Energy: 0.7915393776613318
Energy: 1.6565218690855221
Energy: 0.7915393776388214
Energy: 1.417901563696275
Energy: 0.6626934384263786
Energy: 1.8064729284202967
Energy: 0.6626934384233331
Energy: 1.5014379770585242
Energy: 0.6630535395395609
Energy: 1.8820850721901983
Energy: 0.6630535395383426
Energy: 1.1952301995710586
Energy: 0.6651370632207182
Energy: 1.5691646715966505
Energy: 0.6651370632274185
Energy: 1.107535853235061
Energy: 0.6625758278563604
Energy: 2.1093174803953616
Energy: 0.6625758278575786
Energy: 1.2009229999370374
Energy: 0.6655135050271236
Energy: 1.8763568330325158
Energy: 0.6655135050337964
Energy: 0.8425758029880547
Energy: 0.6606590329116319
Energy: 1.8761062071375447
Energy: 0.6606590329158958
Energy: 0.8388948570740932
Energy: 0.6618673236228386
Energy: 2.1874393968673815
Energy: 0.6618676607625785
Energy: 0.8555565414106026
Energy: 0.6635220283266161
Energy: 2.176477613372213
Energy: 0.6635220283235704
Energy: 0.7531107051408954
Energy: 0.6631107691848191
Energy: 2.176392447471989
Energy: 0.6631107691823827
Energy: 0.750903907872156
Energy: 0.6598400691583335
Energy: 2.1905177857755156
Energy: 0.6598400691498056
Energy: 0.7565826827099613
Energy: 0.6621895544631065
Energy: 1.9514153728439343
Energy: 0.6621895544667614
Energy: 0.9495254203977831
Energy: 0.6601554203702974
Energy: 2.2532229059667994
Energy: 0.6601554203696881
Energy: 0.9354679580010166
Energy: 0.6619755736988789
Energy: 2.2584314699965886
Energy: 0.6619755737007064
Energy: 0.9527189280896943
Energy: 0.6622514360757616
Energy: 1.7234811846818239
Energy: 0.6622514360721068
Energy: 1.1795312264093603
Energy: 0.662505178251429
Energy: 1.965761677730146
Energy: 0.6625051782520383
Energy: 1.1776933608726057
Energy: 0.661581312083391
Energy: 2.035140959891385
Energy: 0.6615813120779365
Energy: 1.1732024402981638
Energy: 0.6612356461605682
Energy: 1.7247888949294836
Energy: 0.6612356461563043
Energy: 1.5035204764351027
Energy: 0.6615953563311053
Energy: 1.9578003844810676
Energy: 0.6615953567950443
Energy: 1.5019954417305936
Energy: 0.6615642184941533
Energy: 1.728503240288051
Energy: 0.6615642182603563
Energy: 1.6674188687456464
Energy: 0.7910239301619914
Energy: 1.4152479364520647
Energy: 0.7910239301217884
Energy: 1.571172519305217
Energy: 0.7902382867014176
Energy: 1.7418420482786467
Energy: 0.7902382866959355
Energy: 1.8102882721897529
Energy: 0.9762785155374468
Energy: 1.41815115252427
Energy: 0.9762785155325739
Energy: 1.967530839441265
Energy: 0.6632403986970616
Energy: 1.4201397787017582
Energy: 0.6632403926674584
Energy: 1.6499944876286596
Energy: 0.6656969987474985
Energy: 1.1923585414169366
Energy: 0.6656970186122959
Energy: 2.1136963798757087
Energy: 0.6630405788998174
Energy: 1.1912246606742007
Energy: 0.6630405789046904
Energy: 2.1803853576874883
Energy: 0.6640724311555615
Energy: 1.18723336037877
Energy: 0.6640724311555615
Energy: 1.878129616220357
Energy: 0.6636760369009453
Energy: 0.8599799267459667
Energy: 0.6636760368997271
Energy: 2.0407816604052225
Energy: 0.6631718493049675
Energy: 0.8463154102015981
Energy: 0.6631718493074041
Energy: 2.176141724614148
Energy: 0.6636233044229537
Energy: 0.8486848973858657
Energy: 0.6636233044205171
Energy: 1.8771591858955954
Energy: 0.6658941499722898
Energy: 0.6638345388664042
Energy: 0.6658941499692441
Energy: 2.188357854328285
Energy: 0.6634878372915701
Energy: 0.6644466873467784
Energy: 0.6634878372940066
Energy: 2.025947772480299
Energy: 0.6637950685590144
Energy: 0.663413315425408
Energy: 0.6637950685590144

minimum gb energy = 0.6598400691498056 eV
minimum distance =  2.18955335147082 Angstroms
sigma value = 113


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

Energy: 0.02020483032281611
Energy: 0.02216186164727857
Energy: 1.7388552356737077
Energy: 0.5829537609628416
Energy: 0.02097173211039325
Energy: 0.16534559351961256
Energy: 1.3142658423866604
Energy: 0.16534559352002878
Energy: 0.02081503355714105
Energy: 0.16289499096613258
Energy: 1.3125113994543964
Energy: 0.16289499096613258
Energy: 0.022612181593500272
Energy: 0.16325470974715162
Energy: 1.3094803788832352
Energy: 0.16325470974756784
Energy: 1.3115144701256551
Energy: 0.1629543981353739
Energy: 1.3115970352710948
Energy: 0.16295439813625845
Energy: 0.02075428109954592
Energy: 0.16238910684882948
Energy: 1.3120011108761738
Energy: 0.16238910684794497

minimum gb energy = 0.02020483032281611 eV
minimum distance =  2.45527295785774 Angstroms
sigma value = 1