Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.85487599670887
cohesive_energy=3.874281369635567
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0819610961766379e-19, 1.91867060628036e-19, 2.6127175023628197e-19, 3.2265434143809e-19, 3.7218242772493196e-19, 4.11354044249598e-19, 4.423801947670079e-19, 4.67668950758064e-19, 4.89386455031934e-19, 5.0881925542572e-19, 5.26390326570798e-19, 5.421429272362859e-19, 5.560994878950599e-19, 5.68333708672284e-19, 5.78964150638874e-19, 5.88147827104962e-19, 5.96028933967608e-19, 6.027372475341659e-19, 6.083464679297999e-19, 6.12887036510556e-19, 6.16370168512872e-19, 6.188070791731859e-19, 6.20225005494276e-19, 6.20680023658332e-19, 6.202009728447659e-19, 6.18682109395734e-19, 6.15998463533784e-19, 6.120074415384899e-19, 6.065263952735759e-19, 5.9935825701305995e-19, 5.902659046151099e-19, 5.78983376758482e-19, 5.652158729425199e-19, 5.48287274627676e-19, 5.2690782962358e-19, 4.995458570681279e-19, 4.64139355633362e-19, 4.1881698301077e-19, 3.6221688906145197e-19, 2.9257347513474e-19, 2.07028458115578e-19, 9.86503412322918e-20, -5.42678054232042e-20, -2.84419998244314e-19, -6.53515031595528e-19, -1.272669783098292e-18, -2.3511301233296397e-18, -4.3375888229945395e-18, -8.323227504798299e-18, -1.7127107999796598e-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: -0.141421623913241 eV

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

Energy: 0.011979807056524879
Energy: 0.21431822759171484
Energy: 0.21377079180769512
Energy: 0.21383801543600553
Energy: 0.21510295761785145
Energy: 0.012057565027371276
Energy: 0.21431822759171484
Energy: 0.9394656776045065
Energy: 0.9400427775996539
Energy: 0.21377486866793055
Energy: 0.9395530489371016
Energy: 0.2137847522636947
Energy: 0.2137707913157503
Energy: 0.9400427776016094
Energy: 0.9399171591108957
Energy: 0.01256820794757658
Energy: 0.21380724616958105
Energy: 0.9400535693130646
Energy: 0.2138380154217584
Energy: 0.21377486970439483
Energy: 0.012568207947101675
Energy: 0.012116801603618546
Energy: 0.21408108264877898
Energy: 0.21387852187003198
Energy: 0.21510295761832632
Energy: 0.9395530489415153
Energy: 0.21380724616958105
Energy: 0.21408108264780124
Energy: 0.940342183669336
Energy: 0.2138135627166559
Energy: 0.012057565025415787
Energy: 0.21378475226319188
Energy: 0.9400535693115839
Energy: 0.21387852149013664
Energy: 0.21381356261835077
Energy: 0.012117161234310243

minimum gb energy = 0.011979807056524879 eV
minimum distance =  2.47122145763833 Angstroms
sigma value = 1


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

Energy: 1.8318523226503831
Energy: 1.2382090695965091
Energy: 1.313425420244727
Energy: 1.2402755157868404
Energy: 1.2512718791200124
Energy: 1.2856672390663773
Energy: 1.218850705834607
Energy: 1.3325978443302107
Energy: 1.2084420466883585
Energy: 1.2125840748758598
Energy: 1.2080300654295852
Energy: 1.2121172626706547
Energy: 1.1450570743686992
Energy: 1.20856363673948
Energy: 1.2190713877441592
Energy: 1.2754265077613847
Energy: 1.2055141539389005
Energy: 1.2174214392872722
Energy: 1.210986960233811
Energy: 1.2301711981325658
Energy: 1.2987290717445688
Energy: 1.4163177789953136
Energy: 1.2050589397915952
Energy: 1.2115291515536408
Energy: 1.25209595991097
Energy: 1.240419579770618
Energy: 1.3152822222866838
Energy: 1.2132852288676137
Energy: 1.3066366320809055
Energy: 1.2996937859516045
Energy: 1.2624769340648625
Energy: 1.2993028649146103
Energy: 1.3811943215308402
Energy: 1.2131502817418336
Energy: 1.2994525237254504
Energy: 1.2989141957583616
Energy: 1.2862599637252419
Energy: 1.2982511588730754
Energy: 1.298455083361095
Energy: 1.3331093620404264
Energy: 1.2998380221454966
Energy: 1.3063255263566773
Energy: 1.1654319503324309
Energy: 1.1653512495527234
Energy: 1.2176841884465053
Energy: 1.1413793087968076
Energy: 1.3805352736615353
Energy: 1.167259608997149
Energy: 1.12660256404712
Energy: 1.300646031132479
Energy: 1.300509559415899
Energy: 1.213003623944502
Energy: 1.3010771763111075
Energy: 1.2985587595818497
Energy: 1.1313201950065652
Energy: 1.299998699773541
Energy: 1.2981307158580269
Energy: 1.2147385183255026
Energy: 1.2992522040589716
Energy: 1.314508547357659
Energy: 1.251232545037922
Energy: 1.1666443981378465
Energy: 1.3158695285968713
Energy: 1.2355280042865662
Energy: 1.2161615611125216
Energy: 1.1655508088383884
Energy: 1.206256661909038
Energy: 1.2078064962490362
Energy: 1.2684907297339152
Energy: 1.1272664446809928
Energy: 1.2107357004931367
Energy: 1.206857681914362
Energy: 1.218067690904916
Energy: 1.2295776044319793
Energy: 1.283766236768725
Energy: 1.3381000883258682
Energy: 1.205763184304642
Energy: 1.2837864278628444
Energy: 1.2142046608149057
Energy: 1.2180275936351843
Energy: 1.2181445198931067
Energy: 1.142845736875928
Energy: 1.216551731625429
Energy: 1.3154143262359959
Energy: 1.1396991971768715
Energy: 1.2051288738742396
Energy: 1.2101531721542094
Energy: 1.2136514775149776
Energy: 1.2343915186318064
Energy: 1.2996684909705662
Energy: 1.1651664158361925
Energy: 1.2148442700028919
Energy: 1.215472902537289
Energy: 1.2084613979573369
Energy: 1.2145057391773888
Energy: 1.2128780903148355
Energy: 1.219554630903683
Energy: 1.2224785649682965
Energy: 1.2639234015100407
Energy: 1.255365759405736
Energy: 1.3025947894403642
Energy: 1.218265395495738
Energy: 1.212394385816628
Energy: 1.3012393374903264
Energy: 1.2981003064223722
Energy: 1.3006388928891808
Energy: 1.29969724757544
Energy: 1.3838442739191732
Energy: 1.2146123587231308
Energy: 1.303381606566847
Energy: 1.3747459164519367
Energy: 1.2664374244491634
Energy: 1.3079670927611682
Energy: 1.3340721442471453
Energy: 1.234935245518285
Energy: 1.2997562761454193
Energy: 1.257388646823485
Energy: 1.2535566023258442
Energy: 1.3000871347308396
Energy: 1.3832481049133998
Energy: 1.2164641490768577
Energy: 1.2987527810163524
Energy: 1.314773152835372
Energy: 1.3151179147529484
Energy: 1.2982770656167357
Energy: 1.3006974010503156
Energy: 1.1433317923181416
Energy: 1.2976770301210379
Energy: 1.2987648476938296
Energy: 1.1296536216609911
Energy: 1.3007839231850964
Energy: 1.2138014535327544
Energy: 1.1324388305639248
Energy: 1.3255358440670477
Energy: 1.2897839778083973
Energy: 1.2096883194068109
Energy: 1.2084109295491765
Energy: 1.3113597768008243

minimum gb energy = 1.12660256404712 eV
minimum distance =  2.18830822468418 Angstroms
sigma value = 33


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

Energy: 2.34396155532352
Energy: 1.228559941666141
Energy: 1.3053377962240929
Energy: 1.2603752223001257
Energy: 1.2691156354311033
Energy: 1.362285348590205
Energy: 1.3824878454180494
Energy: 1.5094580878765642
Energy: 1.234350646273719
Energy: 1.2404069129425903
Energy: 1.2282816904610259
Energy: 1.3351708561239652
Energy: 1.3824197687973565
Energy: 1.3129850460921753
Energy: 1.3129622225501385
Energy: 1.2586449979314598
Energy: 1.311535247724792
Energy: 1.3955612576299152
Energy: 1.3190566258460226
Energy: 1.3161019507505969
Energy: 1.3108901244331057
Energy: 1.4668265865356196
Energy: 1.3123276501519048
Energy: 1.3122902898698645
Energy: 1.3677589848835565
Energy: 1.3085492839918038
Energy: 1.347428428349254
Energy: 1.4299874216842878
Energy: 1.5203174708570792
Energy: 1.3607070455345815
Energy: 1.2395386631453456
Energy: 1.3815902360394259
Energy: 1.3763332269811526
Energy: 1.2410175808148438
Energy: 1.3770502720925617
Energy: 1.3959995800484524
Energy: 1.2383953439308892
Energy: 1.3791502214140117
Energy: 1.3770262400883833
Energy: 1.5032754761872265
Energy: 1.3777457300773386
Energy: 1.3806796840119708
Energy: 1.23995393987918
Energy: 1.2311159443953303
Energy: 1.2833145978030998
Energy: 1.2411080128996492
Energy: 1.3758262410532838
Energy: 1.233945841793368
Energy: 1.3657885145354411
Energy: 1.3113262676094037
Energy: 1.3100829424687428
Energy: 1.3212165943518115
Energy: 1.313232058213684
Energy: 1.4122097339826045
Energy: 1.1789323148247668
Energy: 1.3106923154991448
Energy: 1.3448905615013866
Energy: 1.3444640629654805
Energy: 1.3138658522782078
Energy: 1.349142752133633
Energy: 1.3323419527301603
Energy: 1.3508449450065452
Energy: 1.3079557909418051
Energy: 1.3295755859898504
Energy: 1.3204993833110676
Energy: 1.2544463941147652
Energy: 1.2420142693552332
Energy: 1.227955968080561
Energy: 1.2367810459550832
Energy: 1.2570383655239117
Energy: 1.226628265406288
Energy: 1.2363328262712898
Energy: 1.2152418140128496
Energy: 1.2261997510415596
Energy: 1.2275853249136575
Energy: 1.2097492436611534
Energy: 1.2281457600965588
Energy: 1.2378300487931648
Energy: 1.2121540390884173
Energy: 1.2981188530598056
Energy: 1.3093339145746237
Energy: 1.3326032898678626
Energy: 1.3155827958707347
Energy: 1.2131154490108413
Energy: 1.2373001668828623
Energy: 1.3604917248534387
Energy: 1.3999390599754369
Energy: 1.3971223284734207
Energy: 1.3624787096227013
Energy: 1.3616995025126577
Energy: 1.260004218356557
Energy: 1.3630249561167227
Energy: 1.3723517673979304
Energy: 1.4567602214711544
Energy: 1.359855595186282
Energy: 1.4335967894665704
Energy: 1.2673724539168834
Energy: 1.2118249006113164
Energy: 1.4640824870548927
Energy: 1.3822128309280146
Energy: 1.4141332354728136
Energy: 1.2989317185952682
Energy: 1.179282070287209
Energy: 1.3591014865413817
Energy: 1.3599515966964786
Energy: 1.4575945849754723
Energy: 1.3592544157790996
Energy: 1.3771496810236803
Energy: 1.1771953025223296
Energy: 1.360509896801446
Energy: 1.3609734424767304
Energy: 1.3800517815759135
Energy: 1.361670240273423
Energy: 1.3589540373372926
Energy: 1.2176183160434673
Energy: 1.2198781481618755
Energy: 1.3317426242774502
Energy: 1.3824959761348887
Energy: 1.507613112521579
Energy: 1.2183371287410665
Energy: 1.2176778620382476
Energy: 1.2382711780192557
Energy: 1.2673221456725934
Energy: 1.5221209028031861
Energy: 1.2370433015118498
Energy: 1.2174132571884793
Energy: 1.2402773256329764
Energy: 1.238622319540163
Energy: 1.375744076056631
Energy: 1.2780737559934
Energy: 1.229414787335452
Energy: 1.2670000525469067
Energy: 1.4293114747176399
Energy: 1.5211746796865404
Energy: 1.3281228328136012
Energy: 1.3328383889537823
Energy: 1.3079561648114664
Energy: 1.3618233025132416
Energy: 1.211447264292209
Energy: 1.3095519671828633
Energy: 1.3113367229306416
Energy: 1.3241668984877262
Energy: 1.3083769815668564
Energy: 1.36691698057422
Energy: 1.4293621211908185
Energy: 1.5210677526129155
Energy: 1.3536085097226924
Energy: 1.3571267231807491
Energy: 1.318182752122184
Energy: 1.3599228103341179
Energy: 1.2415905473325717
Energy: 1.3770652726411352
Energy: 1.3789652889344355
Energy: 1.2415687689033184
Energy: 1.3787769473231224
Energy: 1.2749262567850137
Energy: 1.296584181238404
Energy: 1.3772884904247376
Energy: 1.3780607999129524
Energy: 1.4530010721061575
Energy: 1.3795762806874698
Energy: 1.377146083340665
Energy: 1.2422519353253185
Energy: 1.3790773180224034
Energy: 1.2312430016912517
Energy: 1.2402602562917626
Energy: 1.3782979835208773
Energy: 1.4582479036087348
Energy: 1.3199889474949238
Energy: 1.3132765424291515
Energy: 1.4441970832709676
Energy: 1.339091633636085
Energy: 1.312427758675778
Energy: 1.4073207175828322
Energy: 1.34699001785127
Energy: 1.3171493793365634
Energy: 1.3451670122239654
Energy: 1.4254107759521244
Energy: 1.3101684686348862
Energy: 1.423731576548431
Energy: 1.3321040076918553
Energy: 1.3215133885180115
Energy: 1.357099658285208
Energy: 1.3319759687029722
Energy: 1.3098133375787966
Energy: 1.3473461645151021
Energy: 1.4041600234767484
Energy: 1.2268805627409451
Energy: 1.2290617878022603
Energy: 1.2425989526656298
Energy: 1.227822228258681
Energy: 1.5720635210513776
Energy: 1.3081265300505653
Energy: 1.2279593437310963
Energy: 1.2317193631868022
Energy: 1.2152171759339887
Energy: 1.2262349839090179
Energy: 1.3144476035220083
Energy: 1.3827523854778796
Energy: 1.3364853161733756
Energy: 1.2855467434373171
Energy: 1.2695365451408973
Energy: 1.3410000981010206
Energy: 1.3356278776520885
Energy: 1.345498648630587
Energy: 1.3997923290538536
Energy: 1.358812069555537
Energy: 1.237293978642789
Energy: 1.3608297511065428
Energy: 1.4416547954588426
Energy: 1.3422318843303627
Energy: 1.3618384473951815
Energy: 1.3593677538988664
Energy: 1.266124714177521
Energy: 1.3595005706152716
Energy: 1.3718171987657664
Energy: 1.3321268407415279
Energy: 1.3517410492219188
Energy: 1.2116528477427566
Energy: 1.3916331164501217
Energy: 1.211831861488485
Energy: 1.329366714484596
Energy: 1.3450969886053281
Energy: 1.3613660495653281
Energy: 1.3590396455428788
Energy: 1.1789445239979828
Energy: 1.3621883901591114
Energy: 1.4308213981453968
Energy: 1.3457843921024966
Energy: 1.3594427069672956
Energy: 1.3597338158633467
Energy: 1.313745874443757
Energy: 1.3602199006109688
Energy: 1.462668938773728
Energy: 1.381988097287795
Energy: 1.3163637745067023
Energy: 1.2177409348889179
Energy: 1.219886399207535
Energy: 1.2169185084673892
Energy: 1.3150683931916733
Energy: 1.1758146853407518
Energy: 1.2271290469876572
Energy: 1.238423475442927
Energy: 1.2158374625386574
Energy: 1.22725354845479
Energy: 1.3510744523366025

minimum gb energy = 1.1758146853407518 eV
minimum distance =  2.19845013304586 Angstroms
sigma value = 51


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

Energy: 2.1838183324079177
Energy: 1.2922863472825632
Energy: 1.4335307882462485
Energy: 1.333810823940884
Energy: 1.2906834927847781
Energy: 1.3740020466512384
Energy: 1.3631487138038731
Energy: 1.3971445186022091
Energy: 1.2890877885891456
Energy: 1.3799327343136525
Energy: 1.2980798253564931
Energy: 1.293526027899071
Energy: 1.3393861424912956
Energy: 1.2871956366422566
Energy: 1.287923945579317
Energy: 1.3266276914159043
Energy: 1.2953764425538563
Energy: 1.2917364772021849
Energy: 1.3473675375932217
Energy: 1.287229201009274
Energy: 1.2886796224046044
Energy: 1.325593698955606
Energy: 1.290098129764884
Energy: 1.2938491218756991
Energy: 1.3346490143311889
Energy: 1.288705077083012
Energy: 1.3212440969423709
Energy: 1.336438268746169
Energy: 1.4346196143493122
Energy: 1.3031801397230929
Energy: 1.40278595090598
Energy: 1.3863948948390372
Energy: 1.384770767195396
Energy: 1.3770573515762994
Energy: 1.3878195223686052
Energy: 1.3884233323497912
Energy: 1.3992486941899278
Energy: 1.387109840524374
Energy: 1.3869208177742565
Energy: 1.469187385281952
Energy: 1.3885516644396065
Energy: 1.3861204343100655
Energy: 1.4502351060942134
Energy: 1.2960202204731721
Energy: 1.382056267603585
Energy: 1.339326614310855
Energy: 1.4962137187326396
Energy: 1.294837798706731
Energy: 1.1998123108291328
Energy: 1.2953540592744035
Energy: 1.2886256081570835
Energy: 1.3254514302033193
Energy: 1.2869541544697158
Energy: 1.361376663156766
Energy: 1.1746269611615117
Energy: 1.285776710549928
Energy: 1.3841551201908038
Energy: 1.3774539797092373
Energy: 1.2879170222668086
Energy: 1.363432225222863
Energy: 1.3620591109619493
Energy: 1.3220635008985655
Energy: 1.2985652842182862
Energy: 1.3547936302865293
Energy: 1.4193107764182757
Energy: 1.2885834932590001
Energy: 1.3750612896281005
Energy: 1.2878578798926987
Energy: 1.287407970601068
Energy: 1.3891207272282033
Energy: 1.286499993758562
Energy: 1.2882242157895782
Energy: 1.3420641764848207
Energy: 1.3005716779462968
Energy: 1.2888421914769552
Energy: 1.3906234382003508
Energy: 1.2900689341859997
Energy: 1.2867760270232371
Energy: 1.3347467003380211
Energy: 1.3172441771050392
Energy: 1.317958380378703
Energy: 1.450736451923871
Energy: 1.3182760804394078
Energy: 1.4075561559971583
Energy: 1.3992042969027656
Energy: 1.3863612501955036
Energy: 1.3876590367056636
Energy: 1.5227415884637772
Energy: 1.3872935083049056
Energy: 1.3864266907736562
Energy: 1.3513561714479094
Energy: 1.3863561169411214
Energy: 1.3882906539602693
Energy: 1.4659143260923346
Energy: 1.3866183813141912
Energy: 1.3862026256480093
Energy: 1.3311132332766418
Energy: 1.3247181420372065
Energy: 1.3886936028987897
Energy: 1.4535445420783475
Energy: 1.3220892344856292
Energy: 1.3167348162230383
Energy: 1.172390653261434
Energy: 1.2942126574852904
Energy: 1.2887712307075827
Energy: 1.3248977056598654
Energy: 1.2880690362529224
Energy: 1.3635529923204284

minimum gb energy = 1.172390653261434 eV
minimum distance =  2.20665405260392 Angstroms
sigma value = 19


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

Energy: 2.020934583604524
Energy: 1.3126915935419947
Energy: 1.4432079423246038
Energy: 1.4366541483497866
Energy: 1.312199998687376
Energy: 1.3873433503380224
Energy: 1.3818672100576983
Energy: 1.5022526000532195
Energy: 1.3115458910933109
Energy: 1.3548433261131672
Energy: 1.3741976009403307
Energy: 1.496684090374958
Energy: 1.456016983031884
Energy: 1.4297253680979498
Energy: 1.4858203179495044
Energy: 1.350197852158254
Energy: 1.430370735812521
Energy: 1.5075984924757326
Energy: 1.4986948672231022
Energy: 1.4290703198717465
Energy: 1.4306764326756691
Energy: 1.4995748116267493
Energy: 1.4305725153369495
Energy: 1.5036455990080846
Energy: 1.507616901860709
Energy: 1.446913997263382
Energy: 1.5017233197128883
Energy: 1.3499945936785622
Energy: 1.5414159854224454
Energy: 1.547866279135107
Energy: 1.497201269409451
Energy: 1.447314381700332
Energy: 1.5094878147079216
Energy: 1.2952973001284227
Energy: 1.4862452972997415
Energy: 1.4967704224772649
Energy: 1.5353716869862515
Energy: 1.4565657961841574
Energy: 1.473409264460556
Energy: 1.4757953571199356
Energy: 1.4329978791092564
Energy: 1.5415217166094648
Energy: 1.4517543272424924
Energy: 1.4307875284959592
Energy: 1.4943668752357977
Energy: 1.3500833326388566
Energy: 1.4858301143365549
Energy: 1.459447466303629
Energy: 1.3448331584329505
Energy: 1.3785403585924307
Energy: 1.3127286263641962
Energy: 1.3513556292197464
Energy: 1.3098897719978024
Energy: 1.496054525371166
Energy: 1.3541192019112938
Energy: 1.316631566258638
Energy: 1.3139102873646793
Energy: 1.319509959516775
Energy: 1.3136979388804668
Energy: 1.4352364814446512
Energy: 1.3827067542024911
Energy: 1.4906439294807772
Energy: 1.379144037808484
Energy: 1.3623637812480598
Energy: 1.3762338353885144
Energy: 1.4735775911831657
Energy: 1.45611669022308
Energy: 1.5232688853454235
Energy: 1.4834195926356328
Energy: 1.4979208228280088
Energy: 1.4788493702045233
Energy: 1.5393276273576377
Energy: 1.5781878930679265
Energy: 1.4851679764318686
Energy: 1.5130647007635702
Energy: 1.49849730047548
Energy: 1.4910047204198282
Energy: 1.5483242304549745
Energy: 1.3839112833402578
Energy: 1.4870042108906296
Energy: 1.4289910794586633
Energy: 1.4112870953717025
Energy: 1.4895641011511642
Energy: 1.4999800102140064
Energy: 1.3169057887631435
Energy: 1.3104142606496179
Energy: 1.4638450598572834
Energy: 1.473049528400397
Energy: 1.3762535975688006
Energy: 1.3646195000305097
Energy: 1.3576411597365696
Energy: 1.3105292113227194
Energy: 1.3705223289815756
Energy: 1.299371583219855
Energy: 1.3113736261011708
Energy: 1.3571595729378536
Energy: 1.2957666352699038
Energy: 1.3751551655169696
Energy: 1.4896103763428405
Energy: 1.38155841695935
Energy: 1.4893472060005868
Energy: 1.3114204989662133
Energy: 1.4678365513185871
Energy: 1.4309605531592944
Energy: 1.5066536089735647
Energy: 1.5194577296428662
Energy: 1.4294467227972463
Energy: 1.430671402589294
Energy: 1.4655072445452149
Energy: 1.4308841718519039
Energy: 1.4284465618597182
Energy: 1.4987917956232806
Energy: 1.4284771998501757
Energy: 1.4857212533094093
Energy: 1.3492112715679112
Energy: 1.492704303195389
Energy: 1.4494796729422084
Energy: 1.4902768869631868
Energy: 1.4902007194167197
Energy: 1.3754640586232152
Energy: 1.3459080386980637
Energy: 1.4857038905910342
Energy: 1.4736582478105906
Energy: 1.4947732392060078
Energy: 1.4306150362596963
Energy: 1.5095301181338479
Energy: 1.2310956521425152
Energy: 1.4306483849811487
Energy: 1.4552307375992186
Energy: 1.5441288205648398
Energy: 1.4564258132481491
Energy: 1.475142282201372
Energy: 1.294571188504136
Energy: 1.375923812736998
Energy: 1.5252589097290448
Energy: 1.3828610084442519
Energy: 1.4877696272629628
Energy: 1.374498313878309
Energy: 1.3547489634146124
Energy: 1.3137106849193896
Energy: 1.4334334801695918
Energy: 1.3448562677647908
Energy: 1.3106230366571758
Energy: 1.3534579532806292
Energy: 1.3158683870931251
Energy: 1.3104441032605496
Energy: 1.374860234757953
Energy: 1.3451832827971788
Energy: 1.3106381120427744
Energy: 1.310529823940535
Energy: 1.3732663147036581
Energy: 1.5094927588871943
Energy: 1.5256793347368698
Energy: 1.3822576534073143
Energy: 1.486956536803921
Energy: 1.3753248910408937
Energy: 1.4914242010700478
Energy: 1.479336731070144
Energy: 1.4798247242789737
Energy: 1.4981384743300876
Energy: 1.4796905623343444
Energy: 1.4793009534745563
Energy: 1.455924050224758
Energy: 1.4786520733646906
Energy: 1.4884956429292406
Energy: 1.581273950915358
Energy: 1.472599669667784
Energy: 1.5073159716037337
Energy: 1.3828194576641868
Energy: 1.4892939384059272
Energy: 1.4172853972640491
Energy: 1.3835445571753748
Energy: 1.5032322798999749
Energy: 1.428719717771718
Energy: 1.2285739771728375
Energy: 1.31742957705807
Energy: 1.3109963295162212
Energy: 1.3163189487099125
Energy: 1.3109808480914116
Energy: 1.3697173634632434

minimum gb energy = 1.2285739771728375 eV
minimum distance =  2.19653122055286 Angstroms
sigma value = 27


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

Energy: 1.6512451889497974
Energy: 1.443025119434897
Energy: 1.5038613440941964
Energy: 1.24216430581199
Energy: 1.440561741749716
Energy: 1.4002620511523527
Energy: 1.2087449633589893
Energy: 1.3982480235448034
Energy: 1.3860766157188467
Energy: 1.204748331495778
Energy: 1.3312444549714157
Energy: 1.4698055913921275
Energy: 1.19985823930552
Energy: 1.35162519114713
Energy: 1.3340271626986204
Energy: 1.2075730548832444
Energy: 1.3357619836273846
Energy: 1.3863159690486637
Energy: 1.2398139899134661
Energy: 1.329965264486704
Energy: 1.3311847554575427
Energy: 1.3840626000510727
Energy: 1.330852397608183
Energy: 1.327503349360888
Energy: 1.2037878404219142
Energy: 1.3227653979581409
Energy: 1.5145467846698075
Energy: 1.2099829292364044
Energy: 1.3922767901356705
Energy: 1.3221069415165354
Energy: 1.2406099915777962
Energy: 1.3286314008794575
Energy: 1.394694536099924
Energy: 1.2084709878562971
Energy: 1.3955399584859498
Energy: 1.3952486355271365
Energy: 1.2434809483251852
Energy: 1.4411000574770345
Energy: 1.3735153061036698
Energy: 1.6507383570376486
Energy: 1.4437332165641308
Energy: 1.5014951443152431
Energy: 1.2038903110076786
Energy: 1.3854546445699092
Energy: 1.4686055506945492
Energy: 1.2087661064089865
Energy: 1.3960565938904101
Energy: 1.3857981680819198
Energy: 1.2073683166649605
Energy: 1.3376314609992739
Energy: 1.3499150594794804
Energy: 1.209764701087837
Energy: 1.3344970870767554
Energy: 1.3961011330066557
Energy: 1.2080668097281702
Energy: 1.333387293933078
Energy: 1.3281192410849887
Energy: 1.3867142186523378
Energy: 1.3322586189567958
Energy: 1.33246406291819
Energy: 1.2094490922959782
Energy: 1.4113491421135387
Energy: 1.3218902961899985
Energy: 1.203939174187885
Energy: 1.3984279934412003
Energy: 1.5625844148415449
Energy: 1.208244385178189
Energy: 1.3877973613272216
Energy: 1.3269847224193945
Energy: 1.2404950334032374
Energy: 1.3318285232814084
Energy: 1.471810740767953

minimum gb energy = 1.19985823930552 eV
minimum distance =  2.23310969666829 Angstroms
sigma value = 9


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

Energy: 1.3672556581992752
Energy: 1.3188390565785335
Energy: 1.287815449447255
Energy: 1.3921068597780064
Energy: 1.3169988133166226
Energy: 1.4538119865164603
Energy: 1.3956885157558936
Energy: 1.4576637802680992
Energy: 1.3146565004024127
Energy: 1.3155907055194487
Energy: 1.3145856875595885
Energy: 1.3890316856015186
Energy: 1.4367899304208103
Energy: 1.504192327691303
Energy: 1.5000842102134724
Energy: 1.3222936750773324
Energy: 1.494927302928196
Energy: 1.5595155081572103
Energy: 1.243066311223405
Energy: 1.5009457244518525
Energy: 1.5009959293313777
Energy: 1.316706387548175
Energy: 1.496500646196078
Energy: 1.5009752245352164
Energy: 1.3640662918486595
Energy: 1.5006816107463168
Energy: 1.5013794969843663
Energy: 1.390666960362592
Energy: 1.4943177738673732
Energy: 1.525163455000583
Energy: 1.3589924918236682
Energy: 1.3154599497927173
Energy: 1.5374715444046596
Energy: 1.3927246773183561
Energy: 1.314630665879131
Energy: 1.316013916779362
Energy: 1.2884751553035372
Energy: 1.3149053470697931
Energy: 1.4164046384943352
Energy: 1.4678395941652205
Energy: 1.3161974419073885
Energy: 1.2871758586129012
Energy: 1.2751323566049348
Energy: 1.3143910341317546
Energy: 1.5544291747320855
Energy: 1.391885583420973
Energy: 1.3157306035293272
Energy: 1.2765754545287293
Energy: 1.2904427197739181
Energy: 1.4811856940885446
Energy: 1.5386502533954203
Energy: 1.390172068364694
Energy: 1.4686660706696681
Energy: 1.5101242286921588
Energy: 1.3479531291262494
Energy: 1.4806934678423622
Energy: 1.4681237610057167
Energy: 1.3795845610385251
Energy: 1.4696417382605356
Energy: 1.4882397578461812
Energy: 1.391714574690585
Energy: 1.4821134372023974
Energy: 1.46835751073798
Energy: 1.47612456680594
Energy: 1.467540768823385
Energy: 1.490899840131892
Energy: 1.3954630071585263
Energy: 1.561635000383079
Energy: 1.41875669127739
Energy: 1.3896232863138076
Energy: 1.4163679648458896
Energy: 1.3898203971750889
Energy: 1.3602086956636845
Energy: 1.4173456898631571
Energy: 1.4024661444872597
Energy: 1.337485825617402
Energy: 1.4169938975653231
Energy: 1.5062105126568888
Energy: 1.3932515795284408
Energy: 1.416041941361135
Energy: 1.3898340265667641
Energy: 1.3659411725187693
Energy: 1.41601947941545
Energy: 1.4816795670403042
Energy: 1.3958155162832198
Energy: 1.5919574721392495
Energy: 1.3983397287115455
Energy: 1.3382151027674944
Energy: 1.4188806247798507
Energy: 1.5142133417889485
Energy: 1.4752458126355248
Energy: 1.4151877027413473
Energy: 1.4248432860871598
Energy: 1.3664746527453937
Energy: 1.4169743197108478
Energy: 1.4451085929275205
Energy: 1.3924097840412077
Energy: 1.4175645909851793
Energy: 1.4166406672089016
Energy: 1.3878625443461279
Energy: 1.416441757225584
Energy: 1.4445648830413753
Energy: 1.3924770865531462
Energy: 1.4671640136103696
Energy: 1.5362214560008216
Energy: 1.4358836880891974
Energy: 1.4675772595038072
Energy: 1.316697448375762
Energy: 1.2917838269732733
Energy: 1.4892230795101313
Energy: 1.509385265453867
Energy: 1.412577167171935
Energy: 1.476156013897895
Energy: 1.5180859294752485
Energy: 1.3480964198934662
Energy: 1.4750069672718291
Energy: 1.5375129821395992
Energy: 1.3928101425683688
Energy: 1.4675539329716671
Energy: 1.498747766547527
Energy: 1.2867805445017093
Energy: 1.2776320581025244
Energy: 1.559569347712388
Energy: 1.3876673692913908
Energy: 1.5356011339720124
Energy: 1.2768855211057646
Energy: 1.2742532353767948
Energy: 1.314225807586079
Energy: 1.3807782164064564
Energy: 1.3838195435638554
Energy: 1.3141506687646591
Energy: 1.2746154367989866
Energy: 1.3575139788893429
Energy: 1.3131660791939728
Energy: 1.468750021347927
Energy: 1.384285790384773
Energy: 1.3135931259516536
Energy: 1.3140835849847867
Energy: 1.3606819265763492
Energy: 1.5011050996357183
Energy: 1.5023508566112875
Energy: 1.4351032587650157
Energy: 1.5158276562322188
Energy: 1.3159190787660655
Energy: 1.3612783288767958
Energy: 1.5220837909270137
Energy: 1.5004658944467595
Energy: 1.320224771156026
Energy: 1.5013427304333005
Energy: 1.5549982398925992
Energy: 1.3612269443518312
Energy: 1.5011629726817615
Energy: 1.5022697226873305
Energy: 1.2387510742642827
Energy: 1.5010310145254449
Energy: 1.5035823607199625
Energy: 1.4384838475691804
Energy: 1.4914624059000434
Energy: 1.3141733918216136
Energy: 1.3623993426928287
Energy: 1.31438121773885
Energy: 1.3885884428121886
Energy: 1.43658427397431
Energy: 1.3134836278181568
Energy: 1.315528445029333
Energy: 1.3505695117702678
Energy: 1.3137738352080568
Energy: 1.4139528788895768
Energy: 1.3890476239391514
Energy: 1.3142046803379257
Energy: 1.3131203518964458
Energy: 1.270698381206396
Energy: 1.3131272743475364
Energy: 1.4140275471403618
Energy: 1.436383343071418
Energy: 1.5401094549183403
Energy: 1.378061588194086
Energy: 1.2889166268127585
Energy: 1.5081986040470543
Energy: 1.6093190943187554
Energy: 1.4868926761047618
Energy: 1.4673624494402984
Energy: 1.4902224081877213
Energy: 1.2881862986971508
Energy: 1.4678337933548893
Energy: 1.4674409718271388
Energy: 1.4874119791054
Energy: 1.471442863261226
Energy: 1.5259718577868444
Energy: 1.2939731217971282
Energy: 1.4811874606773339
Energy: 1.4865767780878916
Energy: 1.4372108948633688
Energy: 1.41722293482928
Energy: 1.4266940021956431
Energy: 1.389515183738566
Energy: 1.4738119638797504
Energy: 1.38784744390374
Energy: 1.3982938450100093
Energy: 1.4198321514543661
Energy: 1.4146271594299613
Energy: 1.3845303314609814
Energy: 1.4166005731081897
Energy: 1.4816158203306877
Energy: 1.3710191734030448
Energy: 1.4148439509340198
Energy: 1.414474049726622
Energy: 1.3879373868944436
Energy: 1.4170333267455906
Energy: 1.391937090723201
Energy: 1.3341710852670714
Energy: 1.4847526845168055
Energy: 1.5914695002574981
Energy: 1.3899396071693506
Energy: 1.5815138329431837
Energy: 1.4070781501093963
Energy: 1.3723576677731608
Energy: 1.4151457606729496
Energy: 1.415767452655346
Energy: 1.394070592092449
Energy: 1.4166863185484921
Energy: 1.4205512047812323
Energy: 1.3503934740453458
Energy: 1.4402402562442764
Energy: 1.4443373946698594
Energy: 1.3793874400016182
Energy: 1.4170862420213866
Energy: 1.497743743137081
Energy: 1.4406906198605383
Energy: 1.4154393443220976
Energy: 1.4559524093483254
Energy: 1.393393956276976
Energy: 1.4673989785416501
Energy: 1.386890792071674
Energy: 1.359379442006301
Energy: 1.474815910511448
Energy: 1.5253197338823512
Energy: 1.2938575481449484
Energy: 1.480899510299181
Energy: 1.4687563601162417
Energy: 1.4356169875568123
Energy: 1.468379185598495
Energy: 1.4867551458213986
Energy: 1.2901736827952455
Energy: 1.4664614400790492
Energy: 1.467670851163546
Energy: 1.4369230475663926
Energy: 1.5447075541234148
Energy: 1.5071763107339289
Energy: 1.2888664966524477
Energy: 1.499476988798847
Energy: 1.5299421718503792
Energy: 1.3888240884697498
Energy: 1.3147320106260691
Energy: 1.3140114156634117
Energy: 1.270413448613557
Energy: 1.3132898438113076
Energy: 1.6077022677475739

minimum gb energy = 1.2387510742642827 eV
minimum distance =  2.20291119658216 Angstroms
sigma value = 57


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

Energy: 2.37234436245505
Energy: 1.3007709166021895
Energy: 1.1663916668094187
Energy: 1.1673914824172271
Energy: 1.3164725019905652
Energy: 1.433559578223511
Energy: 1.142625465184848
Energy: 1.4484644894201977
Energy: 1.2942623337044101
Energy: 1.1390361696349014
Energy: 1.2927533756229554
Energy: 1.4149913601407538
Energy: 1.1428136047309703
Energy: 1.3377786222623442
Energy: 1.427053839184213
Energy: 1.1403477432229596
Energy: 1.4267446370419283
Energy: 1.2945209587312403
Energy: 1.1316468456152284
Energy: 1.4269898091541444
Energy: 1.4266925481561898
Energy: 1.3453935244409096
Energy: 1.4264641303159582
Energy: 1.1410486952566625
Energy: 1.143203816269155
Energy: 1.344163523377407
Energy: 1.4342083157948773
Energy: 1.1384688683218458
Energy: 1.4271311733029564
Energy: 1.3439839105903915
Energy: 1.136122346360268
Energy: 1.2923380280327204
Energy: 1.4367031476999208
Energy: 1.149091104778257
Energy: 1.2939869671517727
Energy: 1.2914178767704743
Energy: 1.1620110809993258
Energy: 1.3153104111349174
Energy: 1.297652115965858
Energy: 1.3385235400874305
Energy: 1.3167818189951055
Energy: 1.164319611988973
Energy: 1.1684844642562124
Energy: 1.2920959286483722
Energy: 1.4487588877014126
Energy: 1.298102842891066
Energy: 1.2958091196550725
Energy: 1.2906692891176328
Energy: 1.163973414595304
Energy: 1.164741732676635
Energy: 1.4497227865084934
Energy: 1.1411275635694538
Energy: 1.434249225381795
Energy: 1.1639215437281585
Energy: 1.1660037648449464
Energy: 1.2962000245886742
Energy: 1.4112889488069942
Energy: 1.4095951707699668
Energy: 1.2943166623475435
Energy: 1.164635979976002
Energy: 1.1412420432265198
Energy: 1.1449192652712752
Energy: 1.4399210436789394
Energy: 1.1342531217352394
Energy: 1.2912032750708518
Energy: 1.1446799763890814
Energy: 1.1513169163571886
Energy: 1.4469412910121433
Energy: 1.426568592529238
Energy: 1.1389367740843612
Energy: 1.4274795287048392
Energy: 1.2972179098080694
Energy: 1.14891058003655
Energy: 1.4273922733254114
Energy: 1.3444138333587927
Energy: 1.2976589514383574
Energy: 1.444353576295357
Energy: 1.4276493560367844
Energy: 1.1484102948157469
Energy: 1.4459321347392051
Energy: 1.344254235704392
Energy: 1.1364857587714268
Energy: 1.4273595305699722
Energy: 1.342405489622078
Energy: 1.1450099928664499
Energy: 1.4279463425044432
Energy: 1.2962462636449206
Energy: 1.1464151959414444
Energy: 1.2954699012476998
Energy: 1.2945892618049393
Energy: 1.417982100196549
Energy: 1.2964600378062554
Energy: 1.2980178551025783
Energy: 1.1483766572274798
Energy: 1.297010410100813
Energy: 1.340272605520956
Energy: 1.4246599188152076
Energy: 1.2921996432218368
Energy: 1.2923585313919386
Energy: 1.1657083044451424
Energy: 1.2923076485875589
Energy: 1.4159230824770705
Energy: 1.1382862875206234
Energy: 1.4336720548063064
Energy: 1.1646866002805876
Energy: 1.1621318311111517
Energy: 1.2988701752523033
Energy: 1.4133643861103617
Energy: 1.71257800788646
Energy: 1.2931753457762143
Energy: 1.2914976491947727
Energy: 1.1642744170745294
Energy: 1.2916231765132258
Energy: 1.433081756125877

minimum gb energy = 1.1316468456152284 eV
minimum distance =  2.18302749007917 Angstroms
sigma value = 11


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

Energy: 1.8233860920846958
Energy: 1.2072919311159958
Energy: 1.0845845989998883
Energy: 1.1910110284533102
Energy: 1.1980104301185603
Energy: 1.3130037960236072
Energy: 1.4655887476688774
Energy: 1.3360424435117098
Energy: 1.252130465721509
Energy: 1.249829106774484
Energy: 1.1935558242887017
Energy: 1.3665596888029874
Energy: 1.4760503328073946
Energy: 1.3346240629537953
Energy: 1.337165072117469
Energy: 1.2509889959355855
Energy: 1.3341971956383518
Energy: 1.33645110789768
Energy: 1.4700780205597084
Energy: 1.3343150527536303
Energy: 1.3348042613961217
Energy: 1.2502994907147136
Energy: 1.3337702814020886
Energy: 1.3590299840346247
Energy: 1.464100661964315
Energy: 1.3366388682615729
Energy: 1.3350439374697527
Energy: 1.371117316913489
Energy: 1.3333953923548598
Energy: 1.3599833370920449
Energy: 1.4689069883924972
Energy: 1.3374692780728565
Energy: 1.3357014064928574
Energy: 1.2989347285679371
Energy: 1.3349293476470556
Energy: 1.4011326854327584
Energy: 1.2795537368650916
Energy: 1.2476333721392827
Energy: 1.3346272024852888
Energy: 1.2462898213596179
Energy: 1.334676760309712
Energy: 1.245951649308797
Energy: 1.0826258699102775
Energy: 1.335231386022478
Energy: 1.3368921981208925
Energy: 1.3349196325881896
Energy: 1.3406958533648266
Energy: 1.2562900406449538
Energy: 1.2775412967345954
Energy: 1.1961743756226615
Energy: 1.365027746978845
Energy: 1.4601451452395322
Energy: 1.3357527757887613
Energy: 1.1949151525271862
Energy: 1.267381854201619
Energy: 1.1927744994363587
Energy: 1.19800120698739
Energy: 1.3847815499915417
Energy: 1.1923381249415737
Energy: 1.194933783609169
Energy: 1.0845374234123992
Energy: 1.1903398738307405
Energy: 1.190886340599002
Energy: 1.337749894539324
Energy: 1.1907850294346332
Energy: 1.1911682064552018
Energy: 1.0808283357012394
Energy: 1.1927567353768058
Energy: 1.3667013417994622
Energy: 1.3715167911326824
Energy: 1.3048964976684465
Energy: 1.084283024089101
Energy: 1.0853592325436967
Energy: 1.1897387687471042
Energy: 1.3393731013526404
Energy: 1.3598317653013465
Energy: 1.1935132272275253
Energy: 1.0838906924884675
Energy: 1.0753053864987372
Energy: 1.1939132535242993
Energy: 1.2978154111969848
Energy: 1.3601492920412555
Energy: 1.1987202168125697
Energy: 1.2489151743217526
Energy: 1.2720770524948095
Energy: 1.1932802444520083
Energy: 1.3655863871669816
Energy: 1.3656869386943404
Energy: 1.337490004113324
Energy: 1.2574593027313234
Energy: 1.2842918804445025
Energy: 1.3338668925647807
Energy: 1.3837275948045198
Energy: 1.4016585911723078
Energy: 1.334108191392485
Energy: 1.3354778522533024
Energy: 1.2853175442832365
Energy: 1.337859742919062
Energy: 1.3605273696630056
Energy: 1.3604488476631806
Energy: 1.3336102910874637
Energy: 1.2471205600311097
Energy: 1.465995770470846
Energy: 1.3345946786027123
Energy: 1.3353970394050196
Energy: 1.4189189678377228
Energy: 1.334612363171137
Energy: 1.3353645072384508
Energy: 1.470439386144041
Energy: 1.334461006906824
Energy: 1.4007398693634765
Energy: 1.362758539142517
Energy: 1.3347923332486928
Energy: 1.3836190266459885
Energy: 1.282175727448704
Energy: 1.3341331265554264
Energy: 1.2466668916069519
Energy: 1.1951210930841711
Energy: 1.3362247080412573
Energy: 1.3358051301112577
Energy: 1.7579327582740605
Energy: 1.3389613845980912
Energy: 1.2490819668656021
Energy: 1.0896787871064584
Energy: 1.3333828619723356
Energy: 1.329827460037873
Energy: 1.473037070809826
Energy: 1.3382235656866381
Energy: 1.1947585115155264
Energy: 1.2574858848586898
Energy: 1.193818260669779
Energy: 1.3654059246678394
Energy: 1.7428607467276267
Energy: 1.1942603309440056
Energy: 1.1949107898995266
Energy: 1.0779244333715778
Energy: 1.1927912816865172
Energy: 1.3342189558977025
Energy: 1.7849126518332652
Energy: 1.1917161155038438
Energy: 1.1923163229115656
Energy: 1.0890703960403152
Energy: 1.1897790729149604
Energy: 1.3662417682955268
Energy: 1.4605534351277702
Energy: 1.3038475610822258
Energy: 1.08412039782814
Energy: 1.0810613866251875
Energy: 1.1940431509385734
Energy: 1.3655366770649906
Energy: 2.025213810002516
Energy: 1.1910293868200452
Energy: 1.0826076875529227
Energy: 1.0833345316328744
Energy: 1.191243232574076
Energy: 1.2966360307837423

minimum gb energy = 1.0753053864987372 eV
minimum distance =  2.17042632632851 Angstroms
sigma value = 41


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

Energy: 1.8914296022988473
Energy: 1.0951266672206759
Energy: 1.005714104461101
Energy: 1.005680653512024
Energy: 1.0952185783265314
Energy: 1.2572148173807542
Energy: 1.7372954338206046
Energy: 1.2164788274439482
Energy: 1.099572533120665
Energy: 1.1359793704848875
Energy: 1.099172859254125
Energy: 1.2480250691234909
Energy: 1.732977466886248
Energy: 1.2608956980584716
Energy: 1.2167336181894524
Energy: 1.1624658029854473
Energy: 1.2154764426241187
Energy: 1.2951150236259792
Energy: 1.7396524237566526
Energy: 1.214899570832097
Energy: 1.216218621923628
Energy: 1.1602621701366724
Energy: 1.2152516358254455
Energy: 1.2435124482008517
Energy: 1.7265655403915865
Energy: 1.2152325758240492
Energy: 1.2147786080943948
Energy: 1.2594871118018298
Energy: 1.2148255820747715
Energy: 1.243236974731054
Energy: 1.7309667493543321
Energy: 1.2524287219903227
Energy: 1.2735955057863022
Energy: 1.2654411110764379
Energy: 1.252070098662925
Energy: 1.2520054464303332
Energy: 1.510126217866746
Energy: 1.2527256563152454
Energy: 1.2518956941209651
Energy: 1.252501565985573
Energy: 1.2521088805273202
Energy: 1.2537756206663389
Energy: 1.2981454046028622
Energy: 1.2521620340393103
Energy: 1.2522892201007978
Energy: 1.215922135579385
Energy: 1.2648797023237652
Energy: 1.243039587826078
Energy: 1.512936135685502
Energy: 1.273166189905024
Energy: 1.2521828860738344
Energy: 1.2469584416363888
Energy: 1.252034514484352
Energy: 1.215727657100392
Energy: 1.5089647772905954
Energy: 1.259590136991358
Energy: 1.2166408172860883
Energy: 1.2509067317365807
Energy: 1.2162720689909228
Energy: 1.2611246761999733
Energy: 1.15322663296361
Energy: 1.2154988298750418
Energy: 1.2152782360426677
Energy: 1.2880774850916596
Energy: 1.215686601385473
Energy: 1.1468973068665902
Energy: 1.1558946507510646
Energy: 1.146650675728929
Energy: 1.2482159652035982
Energy: 1.2520911426784151
Energy: 1.2161148263155999
Energy: 1.1464998354617095
Energy: 1.1435044936603966
Energy: 1.0936221978510452
Energy: 1.2156520640818436
Energy: 1.250943723645846
Energy: 1.0987068542001217
Energy: 1.0928410731686475
Energy: 1.0020677609983324
Energy: 1.096406041382149
Energy: 1.2154324630746207
Energy: 1.2151557768536123
Energy: 1.0955040892071215
Energy: 1.0041225569308319
Energy: 1.0036027597146537
Energy: 1.0929557638122271
Energy: 1.249044028867022
Energy: 1.2722911370153807
Energy: 1.2009127171853444
Energy: 1.0928188765478786
Energy: 1.0048506249395301
Energy: 1.0933159725875428
Energy: 1.2245013858082638
Energy: 1.247740664850522
Energy: 1.2008148428823529
Energy: 1.0050441426590393
Energy: 1.0018863243440297
Energy: 1.0037606009086646
Energy: 1.1766099954005753
Energy: 1.244221265877246
Energy: 1.0946178866356113
Energy: 1.003769959787614
Energy: 1.1422014066170387
Energy: 1.1322579199427851
Energy: 1.2244837614807662
Energy: 1.243877466158138
Energy: 1.0984610570292082
Energy: 1.1298968125996554
Energy: 1.1553585717002297
Energy: 1.215726830218052
Energy: 1.2476971769996674
Energy: 1.2515976814934506
Energy: 1.2167584259124418
Energy: 1.1623875361454474
Energy: 1.1546470413599392
Energy: 1.2160863597591198
Energy: 1.2152433680576191
Energy: 1.2449188297689708
Energy: 1.2161646261397068
Energy: 1.2165294891839806
Energy: 1.5041515072548148
Energy: 1.215613628242281
Energy: 1.2427061059982998
Energy: 1.242782481193345
Energy: 1.2154610322493409
Energy: 1.215587131634621
Energy: 1.5171444318079546
Energy: 1.2165790198567514
Energy: 1.2522733117430802
Energy: 1.2470828003570378
Energy: 1.251935301691391
Energy: 1.216339234735457
Energy: 1.5229251189948536
Energy: 1.2518832575922265
Energy: 1.2520899994630894
Energy: 1.2157431632500686
Energy: 1.264155546411558
Energy: 1.2529295880407865
Energy: 1.5213110408438977
Energy: 1.252263008666269
Energy: 1.2523617032539935
Energy: 1.2995120753075324
Energy: 1.2520398806471091
Energy: 1.2519123806180925
Energy: 1.7329003876141142
Energy: 1.2520561033085609
Energy: 1.2523429598294118
Energy: 1.2603340868261463
Energy: 1.252240154996917
Energy: 1.2522285650364313
Energy: 1.5018544692767484
Energy: 1.2151595602805787
Energy: 1.2596470257004646
Energy: 1.2597857902955303
Energy: 1.2149053023043281
Energy: 1.215968242003531
Energy: 1.4997547100977897
Energy: 1.214981526342
Energy: 1.1476584922941313
Energy: 1.1670688386131636
Energy: 1.2161215565802725
Energy: 1.2153557687013927
Energy: 1.735428643863637
Energy: 1.2244560478837554
Energy: 1.147033035689436
Energy: 1.1646585452378655
Energy: 1.2148623485307846
Energy: 1.2515165508212687
Energy: 1.7388095785390336
Energy: 1.2164350607532386
Energy: 1.0985445441572752
Energy: 1.137719401159216
Energy: 1.0994312622751343
Energy: 1.2488761153278756
Energy: 1.7183593666410775
Energy: 1.0947354787876042
Energy: 1.0958220633812676
Energy: 1.0017686270468709
Energy: 1.0945912295105613
Energy: 1.2144787616945825
Energy: 1.7354770110602904
Energy: 1.1004043151201428
Energy: 1.0943953212101554
Energy: 1.004021713870317
Energy: 1.0989171324046176
Energy: 1.2481009520896948
Energy: 1.7337746338265967
Energy: 1.2065560166397145
Energy: 1.003527165915037
Energy: 1.0029465329820277
Energy: 1.1839491415070904
Energy: 1.2479952095312274
Energy: 1.7084534400047668
Energy: 1.0935805980357838
Energy: 1.0039339728796477
Energy: 1.0044475205963035
Energy: 1.0938402264120572
Energy: 1.17840894808514

minimum gb energy = 1.0017686270468709 eV
minimum distance =  2.17098870507553 Angstroms
sigma value = 33


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

Energy: 1.8108232550118804
Energy: 0.9616660680150736
Energy: 0.8968381030063175
Energy: 1.0337213467037518
Energy: 0.8992584026124117
Energy: 1.0872252174848684
Energy: 2.029620460960427
Energy: 1.0788888239760015
Energy: 0.9666504759535479
Energy: 0.9797377755061077
Energy: 0.9782448507637558
Energy: 1.0787068615064002
Energy: 2.0443469872475943
Energy: 1.0770051719427416
Energy: 1.0488014627203905
Energy: 1.0031004207852572
Energy: 1.0515470573135255
Energy: 1.0948094039314047
Energy: 1.72793697448278
Energy: 1.052443788515366
Energy: 0.9929151037574988
Energy: 1.001294664149056
Energy: 1.0514089811338228
Energy: 1.0758111236048062
Energy: 1.716985827614947
Energy: 1.0521989689172122
Energy: 1.0496928727541277
Energy: 1.0751192648563008
Energy: 1.0505668677696072
Energy: 1.0758310321502136
Energy: 2.0140628952961714
Energy: 1.0920639465203097
Energy: 1.0935087964546488
Energy: 1.0760204046744095
Energy: 1.096199877567172
Energy: 1.0926123656038378
Energy: 1.8796734832106674
Energy: 1.1206313230804303
Energy: 1.0936773496376193
Energy: 1.1058124898868742
Energy: 1.0916139746658289
Energy: 1.1207866451353519
Energy: 1.3803396548743427
Energy: 1.093736289946387
Energy: 1.091360257129635
Energy: 1.0778451992862927
Energy: 1.0925658249322168
Energy: 1.1033340867146364
Energy: 1.856525983460057
Energy: 1.108211114991967
Energy: 1.0910515765363733
Energy: 1.0934864843541625
Energy: 1.1230138089606756
Energy: 1.1092739149138804
Energy: 1.7085214861663058
Energy: 1.1062770550571601
Energy: 1.1045478197514573
Energy: 1.105009844825916
Energy: 1.1060468831516421
Energy: 1.107406985319058
Energy: 1.3868133162322727
Energy: 1.1060363647315181
Energy: 1.105100552833258
Energy: 1.122447178289009
Energy: 1.1065959265526435
Energy: 1.1052142353767562
Energy: 1.4513946370950386
Energy: 1.1046804805544965
Energy: 1.1057198741572953
Energy: 1.1054839080821053
Energy: 1.1061415288294867
Energy: 1.1055313716774609
Energy: 1.5418809565218963
Energy: 1.0933606454146907
Energy: 1.1229876364825944
Energy: 1.1080556411989826
Energy: 1.0933098686542593
Energy: 1.093112513413377
Energy: 1.290459795702705
Energy: 1.0943421023801152
Energy: 1.092423608439235
Energy: 1.1049392786629484
Energy: 1.091606166639158
Energy: 1.0930124940661476
Energy: 1.1849679681234755
Energy: 1.0927936830805878
Energy: 1.1274640905102626
Energy: 1.1064853130072594
Energy: 1.1205727261754597
Energy: 1.1090235310288765
Energy: 1.2411802356690667
Energy: 1.0989245861040469
Energy: 1.094286872847718
Energy: 1.1041388411518038
Energy: 1.093742048882911
Energy: 1.0753195688474755
Energy: 1.2339146101346026
Energy: 1.0747572337562206
Energy: 1.0914716063236616
Energy: 1.0937535552941804
Energy: 1.0493155186028733
Energy: 1.0762165722375148
Energy: 1.0493936121103642
Energy: 1.051170613992764
Energy: 1.0517554725073273
Energy: 1.1084223915732245
Energy: 1.0510453700624125
Energy: 0.9933534152356012
Energy: 1.0319951367147715
Energy: 0.9932600188520145
Energy: 1.0769036488687105
Energy: 1.0928614399079746
Energy: 1.0507910651475634
Energy: 1.0036675255542147
Energy: 0.9905899454910118
Energy: 0.9590493790917959
Energy: 0.9784488772763207
Energy: 1.0926463247648899
Energy: 0.9601602536830232
Energy: 0.9800439280414677
Energy: 0.8927155365770933
Energy: 0.9586855687277896
Energy: 1.048963589019466
Energy: 1.0934039939426592
Energy: 0.9591510611939414
Energy: 0.8982809011379073
Energy: 0.899488237587007
Energy: 0.9583652827798756
Energy: 1.0769843348147898
Energy: 1.0770735943691723
Energy: 1.023983107050149
Energy: 0.9006322110084412
Energy: 0.903129549533905
Energy: 0.9611528305991113
Energy: 1.0790265356755029
Energy: 1.0932291920689965
Energy: 1.0422777172653965
Energy: 0.8991884167567441
Energy: 0.8927225836662545
Energy: 0.8996503507981399
Energy: 1.0752580584185891
Energy: 1.0748123768082676
Energy: 0.9605064645720537
Energy: 0.9011627093888717
Energy: 0.99278510005774
Energy: 0.9584838309933931
Energy: 1.0790917279029912
Energy: 1.103308806418586
Energy: 0.9780586647572752
Energy: 0.9800335746552334
Energy: 1.0332553546222063
Energy: 1.050230405620131
Energy: 1.0781280582723545
Energy: 1.0920734890020674
Energy: 1.050174531094937
Energy: 1.0041640529911684
Energy: 1.0356316521605646
Energy: 1.051390045196368
Energy: 1.0535191197057217
Energy: 1.1220078197275474
Energy: 1.049800773163477
Energy: 1.0020149722107903
Energy: 1.2325135632947937
Energy: 1.0504892555827303
Energy: 1.075843407047938
Energy: 1.1037124816291084
Energy: 1.0512321060847154
Energy: 1.0740304903529563
Energy: 1.2389882168190907
Energy: 1.0916899968642502
Energy: 1.0931329965729277
Energy: 1.1040242201756758
Energy: 1.091687838780777
Energy: 1.1273483748790414
Energy: 1.2389748150218232
Energy: 1.0916151176650015
Energy: 1.1195354094822756
Energy: 1.1085808982576442
Energy: 1.1211858868881248
Energy: 1.091143385520425
Energy: 1.2893809656880244
Energy: 1.091513859193645
Energy: 1.1028327430456086
Energy: 1.1019595719769524
Energy: 1.092749749598739
Energy: 1.0931376603128322
Energy: 1.550908233138941
Energy: 1.0956617982846941
Energy: 1.1299154004467913
Energy: 1.1075382167215735
Energy: 1.1211677290301736
Energy: 1.0921005201313165
Energy: 1.5645398993360249
Energy: 1.1058526664457229
Energy: 1.1077537151700803
Energy: 1.105915966528346
Energy: 1.1060090985902054
Energy: 1.1049891768229285
Energy: 1.551332904845942
Energy: 1.1057771475971931
Energy: 1.1049096165263068
Energy: 1.1032130312645023
Energy: 1.106119569489355
Energy: 1.1050258693710513
Energy: 1.8683751100465094
Energy: 1.105284186902239
Energy: 1.104922992906875
Energy: 1.105670356882276
Energy: 1.1070495052773635
Energy: 1.1059920610699228
Energy: 1.8816530469887789
Energy: 1.1339112101720292
Energy: 1.0911847801540817
Energy: 1.0935860500723045
Energy: 1.0926905104213827
Energy: 1.1082269435275225
Energy: 1.5458968300061604
Energy: 1.0926210561355
Energy: 1.091812205301195
Energy: 1.103097044334339
Energy: 1.0941058366413297
Energy: 1.1053695674431785
Energy: 1.8667055245227682
Energy: 1.1395208020202208
Energy: 1.1152013286370965
Energy: 1.1143751327831846
Energy: 1.1001378486465836
Energy: 1.1287962082228584
Energy: 2.039051856965618
Energy: 1.0923059905680461
Energy: 1.119294176583978
Energy: 1.0753899341038062
Energy: 1.0975105484011771
Energy: 1.0934273345298642
Energy: 1.8768808581361545
Energy: 1.0491933667696423
Energy: 1.0756583304447855
Energy: 1.076530284996595
Energy: 1.0505461355768353
Energy: 1.0933812607638276
Energy: 1.873582560145533
Energy: 1.0516859530986091
Energy: 0.9931873226407354
Energy: 1.0031194812939557
Energy: 1.0499972188772542
Energy: 1.0507461375677187
Energy: 2.0394318562098035
Energy: 1.0765257246422641
Energy: 0.9936798646881806
Energy: 1.0086990412386343
Energy: 1.0511321784435668
Energy: 1.0769249664893419
Energy: 2.0312671722930746
Energy: 0.9936109865810641
Energy: 0.985239901704695
Energy: 0.981087033227603
Energy: 0.9592509233490708
Energy: 1.078134195322317
Energy: 1.8622935918066765
Energy: 0.9617273654819235
Energy: 0.8979352127412493
Energy: 0.8969713339127249
Energy: 0.9597497056717289
Energy: 1.0916236161704214
Energy: 2.0186719690049757
Energy: 1.0783662709195547
Energy: 0.9595484851395943
Energy: 0.8956104126147265
Energy: 0.9587739452122275
Energy: 1.0771511147101227
Energy: 2.012761204772391
Energy: 1.0777179714624026
Energy: 0.8992697413734583
Energy: 0.8992219216644541
Energy: 0.9595089838083932
Energy: 1.0785341257618914
Energy: 2.043659308800434
Energy: 0.9598603096810111
Energy: 0.8987267687678222
Energy: 0.8939751394136906
Energy: 0.9592422761890201
Energy: 1.0764488993119707

minimum gb energy = 0.8927155365770933 eV
minimum distance =  2.23275545824421 Angstroms
sigma value = 67


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

Energy: 0.3419494450702845
Energy: 0.40930854941750466
Energy: 0.42311782307912654
Energy: 0.42337743383460297
Energy: 0.4249410612353896
Energy: 0.29195554330852497
Energy: 1.4964040344425142
Energy: 0.4223894354329211
Energy: 0.40699926668009506
Energy: 0.4069085875147304
Energy: 0.42093155743524596
Energy: 0.42238689995510953
Energy: 1.4810756805018752
Energy: 0.4069367290698004
Energy: 0.40684002020172144
Energy: 0.4071458178484416
Energy: 0.40633022968666976
Energy: 0.4068242303699764
Energy: 0.27574083288686435
Energy: 0.4064994569500356
Energy: 0.40718446404744674
Energy: 0.40723465123251484
Energy: 0.4059849791776917
Energy: 0.2751067273981827
Energy: 0.27500715551455707
Energy: 0.40592798713839245
Energy: 0.4066662492620624
Energy: 0.40730069768938926
Energy: 0.4054087620168918
Energy: 0.2750306542700647
Energy: 1.480158175454725
Energy: 0.4065116116651375
Energy: 0.40717083665963355
Energy: 0.40718764610511965
Energy: 0.4063074458179431
Energy: 0.4071869283180261
Energy: 0.2750277115657273
Energy: 0.42279182942904603
Energy: 0.4070890855254532
Energy: 0.40735452232925595
Energy: 0.40715497986961263
Energy: 0.42254547401820086

minimum gb energy = 0.27500715551455707 eV
minimum distance =  2.40686208935501 Angstroms
sigma value = 3


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

Energy: 2.1007788225512845
Energy: 0.9637341267991886
Energy: 0.8804475350860567
Energy: 0.867617429044948
Energy: 0.9731086907575692
Energy: 1.0778876599708076
Energy: 1.9877171392762145
Energy: 1.0135049398154756
Energy: 0.8639008347606763
Energy: 0.86887752344866
Energy: 0.8663974734841691
Energy: 1.07720525558663
Energy: 1.722827846456422
Energy: 1.017756923016106
Energy: 0.8716931577062669
Energy: 0.873693803161621
Energy: 0.8712592605956053
Energy: 1.0470589784840134
Energy: 2.2176500636331022
Energy: 0.958826013412852
Energy: 0.8653847082190568
Energy: 0.873435449562893
Energy: 0.8674945928783891
Energy: 1.0495840902322722
Energy: 2.2148570864551003
Energy: 0.9612577059665895
Energy: 0.960857959624463
Energy: 0.9685129155067322
Energy: 0.9636336043157149
Energy: 1.05115745360569
Energy: 1.6662162871920334
Energy: 1.0419871119263753
Energy: 0.9689843473354439
Energy: 0.973337526489994
Energy: 0.9621252170614298
Energy: 1.0610970040888072
Energy: 1.9822744791741553
Energy: 1.0654532331801596
Energy: 0.9686134744348314
Energy: 0.9748206165434251
Energy: 0.9774994418436308
Energy: 1.0622885187006257
Energy: 1.9223472287211012
Energy: 1.0664763280565466
Energy: 1.0690009252371009
Energy: 1.1267344239297488
Energy: 1.0607270849156352
Energy: 1.0778080044352507
Energy: 1.9848735151330001
Energy: 1.0604186696521265
Energy: 1.0655879551690752
Energy: 1.0623968072896541
Energy: 1.0773333847192428
Energy: 1.0631052071570526
Energy: 1.6660195611947182
Energy: 1.0855266220665094
Energy: 1.0613418194528015
Energy: 1.0729751732617223
Energy: 1.0596086947951495
Energy: 1.0954206196056993
Energy: 1.9183667166719776
Energy: 1.0835943990705572
Energy: 1.0991524745164192
Energy: 1.144384873544299
Energy: 1.092855968180997
Energy: 1.0830530260251425
Energy: 1.8849692044362472
Energy: 1.0877513506497007
Energy: 1.0901075419442439
Energy: 1.1044677471981326
Energy: 1.0917857190488327
Energy: 1.095134617440672
Energy: 1.7987641193188262
Energy: 1.0931263965110656
Energy: 1.0860638253036021
Energy: 1.117308406264182
Energy: 1.095400142601461
Energy: 1.1256731390299168
Energy: 1.8035400877805101
Energy: 1.0899464752611716
Energy: 1.1167093246143265
Energy: 1.1202357772058356
Energy: 1.1050008647674956
Energy: 1.090835628769276
Energy: 1.6188235844953702
Energy: 1.0917320493467428
Energy: 1.1204593203287876
Energy: 1.1504706683707384
Energy: 1.0998770785161305
Energy: 1.0905871019964084
Energy: 1.5345323326958722
Energy: 1.1193671262031653
Energy: 1.0901427459539978
Energy: 1.0888961882765011
Energy: 1.0922262384097914
Energy: 1.1062904621423328
Energy: 1.5186331190968227
Energy: 1.1237435847350299
Energy: 1.0970386315572245
Energy: 1.0977176231903247
Energy: 1.0932294233496795
Energy: 1.098318646293179
Energy: 1.5480053497490702
Energy: 1.085069906309171
Energy: 1.083749901052335
Energy: 1.1326446245830981
Energy: 1.081790223596964
Energy: 1.0864525821733069
Energy: 1.518517533920528
Energy: 1.0890541548807438
Energy: 1.087480499955237
Energy: 1.0959278864859703
Energy: 1.0796017488474727
Energy: 1.095276165320804
Energy: 1.2572933734169975
Energy: 1.0547484328085783
Energy: 1.083681037818896
Energy: 1.088816696166213
Energy: 1.0799772057153034
Energy: 1.0625900671823456
Energy: 1.2433529525161096
Energy: 1.0334650118653212
Energy: 1.1172577633154792
Energy: 1.1085723338433022
Energy: 1.0296404966786015
Energy: 1.0291414112386068
Energy: 1.2534098370433198
Energy: 1.0289414235005832
Energy: 1.0984704240202063
Energy: 1.1666453987260885
Energy: 1.0295596908558098
Energy: 1.033704321652925
Energy: 1.0488799184734918
Energy: 1.0358309653790496
Energy: 1.068103014289605
Energy: 1.084580877175308
Energy: 1.030667804045482
Energy: 1.0352579458895979
Energy: 1.0492133807835975
Energy: 1.0215335650821757
Energy: 1.0739752654263963
Energy: 1.0809123670498855
Energy: 1.0299226910532329
Energy: 1.0235311566593088
Energy: 1.0369524580780116
Energy: 1.005392329761869
Energy: 1.041242415376088
Energy: 1.1030828904897443
Energy: 1.0003732954290496
Energy: 1.0146369377737838
Energy: 1.0241654977118333
Energy: 0.9951190862477389
Energy: 1.040850957260046
Energy: 1.0753813817864597
Energy: 1.047538485709955
Energy: 0.9964953460848324
Energy: 0.9105886853246837
Energy: 0.9036190759922189
Energy: 1.0469900835233044
Energy: 1.0712662498530274
Energy: 1.0366898103899587
Energy: 0.9045667315126221
Energy: 0.924977702019089
Energy: 0.9203845327633507
Energy: 1.047230353751518
Energy: 1.0843761051189356
Energy: 0.9156577895933375
Energy: 0.9298204875991016
Energy: 0.9290852926551251
Energy: 0.9290787497211397
Energy: 1.0631309222801788
Energy: 1.0956742141592708
Energy: 0.9283695091973813
Energy: 0.9236661902335755
Energy: 1.0193118684527014
Energy: 0.9286097216691104
Energy: 1.051335795808126
Energy: 1.0823914865424604
Energy: 0.9292415742435136
Energy: 0.9287821937472384
Energy: 1.0023866640496433
Energy: 0.927544999072438
Energy: 1.0905709544634776
Energy: 1.149072124859384
Energy: 0.9298703929978578
Energy: 0.9281322587529731
Energy: 0.9951222700634986
Energy: 0.9279136117202619
Energy: 1.0890094819677802
Energy: 1.0854384830518107
Energy: 0.928608670210253
Energy: 0.9278844987271817
Energy: 0.9918234330049877
Energy: 0.93432367618122
Energy: 1.0580040525490564
Energy: 1.0907362843244717
Energy: 1.0583576995921393
Energy: 0.9345021544178956
Energy: 1.2264128270930286
Energy: 1.0636457670272754
Energy: 1.0604682156539804
Energy: 1.0769636886889733
Energy: 1.0576020962002624
Energy: 1.0619827235630284
Energy: 1.2359643888067893
Energy: 1.0564933624324189
Energy: 1.0994547944396273
Energy: 1.1229899125021678
Energy: 1.059558208482362
Energy: 1.060716435979532
Energy: 1.2443748828713488
Energy: 1.0917096858915218
Energy: 1.1029371677158808
Energy: 1.0937180052869144
Energy: 1.0835361551690526
Energy: 1.0958068335951485
Energy: 1.3829930714865066
Energy: 1.0915853486815232
Energy: 1.0862663762666986
Energy: 1.0892046128512092
Energy: 1.0861910096946308
Energy: 1.102529626696081
Energy: 1.4632984712617014
Energy: 1.0894654732894282
Energy: 1.1218807210785322
Energy: 1.0997109191868473
Energy: 1.121892036684008
Energy: 1.0834900958787619
Energy: 1.5127255798590995
Energy: 1.0839177526400023
Energy: 1.1014970844975678
Energy: 1.101323208378362
Energy: 1.1077258390766032
Energy: 1.0938820918226257
Energy: 1.5363145889109184
Energy: 1.1023980552082715
Energy: 1.090486315164595
Energy: 1.0883004085138228
Energy: 1.0995230673456284
Energy: 1.1198956735085224
Energy: 1.749760204793172
Energy: 1.1093801189494332
Energy: 1.0990957342432726
Energy: 1.1018659623089029
Energy: 1.100000618165834
Energy: 1.0926460368656932
Energy: 1.7541175461370175
Energy: 1.0903525285705544
Energy: 1.107899438479899
Energy: 1.1172340144216146
Energy: 1.104308092162004
Energy: 1.0906124029770272
Energy: 1.6614867655628058
Energy: 1.1041621874729732
Energy: 1.0856803849309593
Energy: 1.116230841775001
Energy: 1.0840000814006916
Energy: 1.1016361362624747
Energy: 1.666221385498009
Energy: 1.0848519349234444
Energy: 1.09183039796076
Energy: 1.0907686204091853
Energy: 1.0926383237621689
Energy: 1.1083584240629007
Energy: 1.7652307160704697
Energy: 1.0846322425744654
Energy: 1.0913608803203116
Energy: 1.099931746944172
Energy: 1.0920395461856307
Energy: 1.0867052320170787
Energy: 1.8648846672312507
Energy: 1.0873370291969782
Energy: 1.0952652843888402
Energy: 1.0941957482203217
Energy: 1.0956107999862739
Energy: 1.089349323877188
Energy: 1.7246679430501413
Energy: 1.0693339852818464
Energy: 1.06902120533867
Energy: 1.0733555898381222
Energy: 1.0593991592793093
Energy: 1.0753170942842964
Energy: 2.0594258186135503
Energy: 1.059296057469365
Energy: 1.0602310930748657
Energy: 1.080944169511482
Energy: 1.0624331478730016
Energy: 1.0689598351951788
Energy: 2.0593345408487975
Energy: 1.0599639347538279
Energy: 0.9696393386737285
Energy: 0.9845376363001255
Energy: 0.9771900393796525
Energy: 1.0679262637244844
Energy: 1.724266027673318
Energy: 1.025415485050669
Energy: 0.9599026208357869
Energy: 0.9614135223025081
Energy: 0.9587431050759581
Energy: 1.0821179308715583
Energy: 2.053714629860093
Energy: 0.9710748525809226
Energy: 0.9609463468281967
Energy: 0.9934405712175752
Energy: 0.9598426558093266
Energy: 1.0611166684764148

minimum gb energy = 0.8639008347606763 eV
minimum distance =  2.21904807744897 Angstroms
sigma value = 81


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

Energy: 2.1664454157252027
Energy: 1.0959450327542692
Energy: 0.9864260572113306
Energy: 0.9680580001887564
Energy: 1.1199808041468313
Energy: 1.2366921766944412
Energy: 1.7172252793053617
Energy: 1.1093849203646784
Energy: 0.9657433590847474
Energy: 0.9697960653220637
Energy: 0.9671703100667987
Energy: 1.2233341795514865
Energy: 1.691515727042935
Energy: 1.0909181431551669
Energy: 0.9712391779777283
Energy: 0.9720240301968213
Energy: 0.9723443408826512
Energy: 1.1988904104075224
Energy: 1.726811769269661
Energy: 1.0892646021818084
Energy: 0.9661040664076724
Energy: 0.9653654035882778
Energy: 0.9657491774522959
Energy: 1.2112537979025992
Energy: 1.7277691358187248
Energy: 1.089909811791303
Energy: 1.0932674946409209
Energy: 1.0917273362776483
Energy: 1.0884794836704512
Energy: 1.2192064371219227
Energy: 1.6927948044525456
Energy: 1.0903174885615259
Energy: 1.0898999813217836
Energy: 1.093796627723274
Energy: 1.090666050018065
Energy: 1.2430301196124007
Energy: 1.7156887820893956
Energy: 1.223066487236621
Energy: 1.100483267193391
Energy: 1.117668456374434
Energy: 1.101931532765085
Energy: 1.2232183775913135
Energy: 1.6975456444547674
Energy: 1.2130065675700583
Energy: 1.2442233734141837
Energy: 1.1441193853686533
Energy: 1.2182153903273196
Energy: 1.227114465804627
Energy: 1.6845633719837076
Energy: 1.2465348300936678
Energy: 1.228820145819719
Energy: 1.2126194051267818
Energy: 1.223229758061775
Energy: 1.2292785628973255
Energy: 1.6951137139171286
Energy: 1.2359448159519346
Energy: 1.2121792553307804
Energy: 1.222126229745251
Energy: 1.222579809219854
Energy: 1.24694632888438
Energy: 1.480625275218233
Energy: 1.2353281417789073
Energy: 1.2445817531991126
Energy: 1.4078301836737657
Energy: 1.2472338546435986
Energy: 1.2290156450337837
Energy: 1.4996303224643437
Energy: 1.2443268943814072
Energy: 1.2460364656982106
Energy: 1.2253596058992111
Energy: 1.2506748713814255
Energy: 1.245542502307736
Energy: 1.5179532906941093
Energy: 1.2452184397041954
Energy: 1.235687095176306
Energy: 1.2407792613703625
Energy: 1.2450789997203877
Energy: 1.2548047629842223
Energy: 1.4713546476363042
Energy: 1.21944871945525
Energy: 1.2363192108675507
Energy: 1.2365656162040004
Energy: 1.2398853865146453
Energy: 1.2201715171815875
Energy: 1.4787712265556565
Energy: 1.2236334430716325
Energy: 1.2274686734367424
Energy: 1.2805157196632615
Energy: 1.2229043635801384
Energy: 1.2144976282574702
Energy: 1.1446712498269394
Energy: 1.235590289708601
Energy: 1.2229455316955655
Energy: 1.2325003573076756
Energy: 1.2202321152338835
Energy: 1.2443780176156585
Energy: 1.120108505971747
Energy: 1.1031199822671354
Energy: 1.223071080993334
Energy: 1.2413437215755252
Energy: 1.213858817688527
Energy: 1.1016157317334159
Energy: 1.122011052722684
Energy: 1.0929313194817973
Energy: 1.1985313388751029
Energy: 1.2497256930068745
Energy: 1.0893627988345729
Energy: 1.0900926126550154
Energy: 1.1208836409729042
Energy: 1.088613883328096
Energy: 1.1943150380044658
Energy: 1.2232736884626532
Energy: 1.0889786871679654
Energy: 1.089482842985278
Energy: 0.9661519727677553
Energy: 0.9653500603873691
Energy: 1.1937833143466938
Energy: 1.222630604702217
Energy: 1.0889617972119587
Energy: 0.9652934296513618
Energy: 0.9725928833840859
Energy: 0.9723864899486037
Energy: 1.1995861359368138
Energy: 1.2881487358889434
Energy: 0.9715510539582942
Energy: 0.9712960904491725
Energy: 0.9692702709002396
Energy: 0.9653715709101733
Energy: 1.2107790242339012
Energy: 1.2381505532886847
Energy: 1.106555135733368
Energy: 0.9654177437687441
Energy: 0.9834790704683393
Energy: 0.9845236731869038
Energy: 1.223764798534951
Energy: 1.25413660597333
Energy: 1.105749249317106
Energy: 0.9841293385999297
Energy: 1.1270040850777587
Energy: 1.093829335578762
Energy: 1.2023153722398463
Energy: 1.246266102860516
Energy: 1.1069660797527994
Energy: 1.1031752172629483
Energy: 1.12077962701459
Energy: 1.0880607308570385
Energy: 1.2444597796519048
Energy: 1.2890467821107818
Energy: 1.0887465384230584
Energy: 1.09604650329257
Energy: 1.13837024093797
Energy: 1.113268368059883
Energy: 1.2231190415056927
Energy: 1.2267106497452176
Energy: 1.2183419730069676
Energy: 1.1083192463631564
Energy: 1.3073018349122816
Energy: 1.2183221021230648
Energy: 1.223080215726792
Energy: 1.226244520243139
Energy: 1.222816522083005
Energy: 1.2192724308784588
Energy: 1.2711569980868136
Energy: 1.222451247505393
Energy: 1.2233670778743901
Energy: 1.421978817219675
Energy: 1.2241177211933005
Energy: 1.2198357974398957
Energy: 1.4776659668607666
Energy: 1.2342272456247407
Energy: 1.2363008243485734
Energy: 1.2371820939732077
Energy: 1.2349192587563824
Energy: 1.2381304741169388
Energy: 1.4941257695612415
Energy: 1.2617368951496648
Energy: 1.2375603732297902
Energy: 1.2261811152350053
Energy: 1.2437383377890434
Energy: 1.2457236928659907
Energy: 1.6751528200752839
Energy: 1.2430877793933053
Energy: 1.2602499009345505
Energy: 1.2456840887226848
Energy: 1.2449728136307314
Energy: 1.2244798498193428
Energy: 1.6931920173872173
Energy: 1.2424325184529315
Energy: 1.227681378307341
Energy: 1.2508270512852795
Energy: 1.245228019800464
Energy: 1.2442947808808902
Energy: 1.688509811320464
Energy: 1.2233305157398615
Energy: 1.221394708093404
Energy: 1.2377531218983662
Energy: 1.2229644494381808
Energy: 1.2377592714013677
Energy: 1.677295843689695
Energy: 1.2235304288928994
Energy: 1.2185876861387637
Energy: 1.2282233011549573
Energy: 1.2178927156809563
Energy: 1.240751435362388
Energy: 1.6688103966283379
Energy: 1.2128738472467229
Energy: 1.1135850487463248
Energy: 1.110737348920553
Energy: 1.2357756897806285
Energy: 1.2331095309723066
Energy: 1.682364520308344
Energy: 1.2357681316910973
Energy: 1.0884195550994498
Energy: 1.0904981635080173
Energy: 1.088703077507309
Energy: 1.2444762037311468
Energy: 1.7319367212059908
Energy: 1.2010761674174437
Energy: 1.0907484169480584
Energy: 1.0930234854755692
Energy: 1.0902044098825934
Energy: 1.2230888742957833
Energy: 1.6667764953087438
Energy: 1.0904575135299288
Energy: 1.0996348816828339
Energy: 0.9847476920465339
Energy: 1.0893063207120401
Energy: 1.2242838705592551

minimum gb energy = 0.9652934296513618 eV
minimum distance =  2.2763281898827 Angstroms
sigma value = 43


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

Energy: 1.9796401697988
Energy: 1.1942149158421627
Energy: 1.0435767265565457
Energy: 1.0416202705137874
Energy: 1.1950588599499767
Energy: 1.3460312807338148
Energy: 1.4636917789372215
Energy: 1.1861199396517101
Energy: 1.04160035316172
Energy: 1.0406957547916755
Energy: 1.041052983434315
Energy: 1.323185369820233
Energy: 1.473839510047793
Energy: 1.188937864292405
Energy: 1.0460741493130334
Energy: 1.0454051719126138
Energy: 1.046070833929133
Energy: 1.3174722689776162
Energy: 1.7118870327234352
Energy: 1.1884194859809258
Energy: 1.0389212130982295
Energy: 1.0384301091503796
Energy: 1.040615585840742
Energy: 1.326224697229862
Energy: 1.4928380714104499
Energy: 1.189197185421242
Energy: 1.197979962743265
Energy: 1.195597250115957
Energy: 1.185907538657229
Energy: 1.3329434488893797
Energy: 1.4745608871297466
Energy: 1.1886829862293
Energy: 1.1957572557205993
Energy: 1.1930141371671186
Energy: 1.190491550398621
Energy: 1.3596840222801088
Energy: 1.5034352623155818
Energy: 1.348486282644614
Energy: 1.1909566932192182
Energy: 1.1902619714164666
Energy: 1.200374025721573
Energy: 1.3401439421803334
Energy: 1.6715736580557998
Energy: 1.3307832966067454
Energy: 1.3588579285119875
Energy: 1.2591688584772
Energy: 1.3388142185493102
Energy: 1.3311125445243952
Energy: 1.5018204794610757
Energy: 1.3738412896286925
Energy: 1.335743950116359
Energy: 1.3153641822746434
Energy: 1.3352418774376706
Energy: 1.3363218426229606
Energy: 1.4633451122351728
Energy: 1.337012969765443
Energy: 1.3320364535574238
Energy: 1.34234349356708
Energy: 1.3337691143409993
Energy: 1.3408658731495806
Energy: 1.4648028230361354
Energy: 1.3292338252293483
Energy: 1.3537382943905314
Energy: 1.3660062708311178
Energy: 1.3337367336096921
Energy: 1.3309009692747142
Energy: 1.684591749817058
Energy: 1.3304188707000015
Energy: 1.3336224408185675
Energy: 1.3423379143953476
Energy: 1.3336365627629347
Energy: 1.3301027038652276
Energy: 1.2345747124326119
Energy: 1.213465740165262
Energy: 1.3300092818155025
Energy: 1.349333008140498
Energy: 1.328137927576953
Energy: 1.190901819839111
Energy: 1.2336110443281136
Energy: 1.1910773693938603
Energy: 1.3602955454121852
Energy: 1.35390408055234
Energy: 1.3197186887233547
Energy: 1.1895145440809478
Energy: 1.235683026654438
Energy: 1.1884310422521502
Energy: 1.3171544598045182
Energy: 1.3448395929039225
Energy: 1.2167644277312881
Energy: 1.1940022896554119
Energy: 1.0412355928809565
Energy: 1.198513976680209
Energy: 1.3207166960828587
Energy: 1.3459308200214588
Energy: 1.1889860762323714
Energy: 1.196914865248245
Energy: 1.0413996311119766
Energy: 1.040839195172533
Energy: 1.322481705750888
Energy: 1.3828415474801583
Energy: 1.1883655912864526
Energy: 1.0433286309464116
Energy: 1.0463325681290723
Energy: 1.046101101945707
Energy: 1.3171309791456858
Energy: 1.39280466352891
Energy: 1.062472279050393
Energy: 1.0465029714299012
Energy: 1.0391391577388231
Energy: 1.0386860229317771
Energy: 1.1892996529272466
Energy: 1.3325487847969666
Energy: 1.1883371337990634
Energy: 1.038530104930558
Energy: 1.2780032735678795
Energy: 1.1948768851527207
Energy: 1.1915046083868084
Energy: 1.3221581416167447
Energy: 1.1890839246670901
Energy: 1.1959832128434928
Energy: 1.241602630789797
Energy: 1.1909268648699378
Energy: 1.3173846717495874
Energy: 1.334876001599861
Energy: 1.188837839867013
Energy: 1.1875697296466938
Energy: 1.264622517011537
Energy: 1.1998218216368364
Energy: 1.3396684665412935
Energy: 1.4559507832371144
Energy: 1.2129382573100478
Energy: 1.1910904668664475
Energy: 1.233570749544998
Energy: 1.3434549850209065
Energy: 1.3426453276306698
Energy: 1.3359484796782213
Energy: 1.3438850363836692
Energy: 1.2147639040974278
Energy: 1.428434649892797
Energy: 1.3488490671363729
Energy: 1.3369677285673995
Energy: 1.3687949601771012
Energy: 1.3337031789538334
Energy: 1.3272289794257262
Energy: 1.4653447942748403
Energy: 1.3493909204774204
Energy: 1.366690268164815
Energy: 1.352439126325558
Energy: 1.3335507556551667
Energy: 1.3451993553304031
Energy: 1.4631279989557702
Energy: 1.3336185033362702
Energy: 1.3307603683291844
Energy: 1.3385167223106538
Energy: 1.334872292129499
Energy: 1.3344914235611087
Energy: 1.423967812359273
Energy: 1.3345978066270963
Energy: 1.326435413264108
Energy: 1.3382772116378858
Energy: 1.3286780306342498
Energy: 1.3345276648256417
Energy: 1.4193909026265301
Energy: 1.3275410287166185
Energy: 1.213689920744367
Energy: 1.202085854116214
Energy: 1.3424587986785106
Energy: 1.3309079020797658
Energy: 1.462580742869345
Energy: 1.3322232104874638
Energy: 1.1892678351581525
Energy: 1.1904850219000136
Energy: 1.189886343506828
Energy: 1.354776839520015
Energy: 1.4846495847319272
Energy: 1.1907640048956458
Energy: 1.2121190409483984
Energy: 1.1884639282842582
Energy: 1.1902134984070498
Energy: 1.317779300296224
Energy: 1.9224635118247113
Energy: 1.1890144982034552
Energy: 1.1970165815309812
Energy: 1.1963805836386574
Energy: 1.1907767281024655
Energy: 1.3164842153532577

minimum gb energy = 1.0384301091503796 eV
minimum distance =  2.2276049853176 Angstroms
sigma value = 57


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

Energy: 1.700966914805287
Energy: 1.3243376389937798
Energy: 1.149791738337898
Energy: 1.3398588747947011
Energy: 1.326481118096516
Energy: 1.4929272972544012
Energy: 1.4083005054725033
Energy: 1.327180288214834
Energy: 1.1489383151477621
Energy: 1.1514587013545372
Energy: 1.1480943887927324
Energy: 1.4749580636509956
Energy: 1.690689826303731
Energy: 1.326887010754388
Energy: 1.1494847720567083
Energy: 1.1466811441136595
Energy: 1.1542159194542359
Energy: 1.4535060931098376
Energy: 1.6752898566073282
Energy: 1.3209815253768753
Energy: 1.1533620527036004
Energy: 1.14214496619451
Energy: 1.1461048423221754
Energy: 1.4513638647083975
Energy: 1.6767058165094115
Energy: 1.3240521767242126
Energy: 1.3255197733726067
Energy: 1.1595050945533258
Energy: 1.3273575440723473
Energy: 1.450712209682026
Energy: 1.6898916282225203
Energy: 1.3270895915539849
Energy: 1.3140858198313454
Energy: 1.3211717232057127
Energy: 1.3160223543875231
Energy: 1.5131460726156536
Energy: 1.4086491267990495
Energy: 1.4802218910909153
Energy: 1.3290869740278182
Energy: 1.3284805525747894
Energy: 1.3219507628127074
Energy: 1.485454066457656
Energy: 1.3993923438046127
Energy: 1.454800327445045
Energy: 1.4881102358889995
Energy: 1.1497960680181463
Energy: 1.4968794092609439
Energy: 1.455214630700797
Energy: 1.4039056560715701
Energy: 1.4970614916768372
Energy: 1.4497403114351453
Energy: 1.497719216978272
Energy: 1.500396770702287
Energy: 1.4867796447962913
Energy: 1.402149602097795
Energy: 1.3233754940754465
Energy: 1.4526967874217276
Energy: 1.5834233225979253
Energy: 1.4536365164414016
Energy: 1.3289434306868817
Energy: 1.415838288151786
Energy: 1.3263288456680644
Energy: 1.4531398536172861
Energy: 1.538984662247062
Energy: 1.3233450576394634
Energy: 1.3437949335782349
Energy: 1.4074133054573543
Energy: 1.3318191371811956
Energy: 1.3211396269545825
Energy: 1.5156489914657791
Energy: 1.3231290569600431
Energy: 1.3310438754401048
Energy: 1.144131873702043
Energy: 1.1527632340566234
Energy: 1.4488176498684266
Energy: 1.4490329576000966
Energy: 1.3213701893929326
Energy: 1.1520607687748485
Energy: 1.1355302896341417
Energy: 1.151292303099275
Energy: 1.4548978640405292
Energy: 1.5255238146226897
Energy: 1.169872458683204
Energy: 1.1531473391309632
Energy: 1.1385837109748629
Energy: 1.1488147100016206
Energy: 1.3434796811538239
Energy: 1.524328264865997
Energy: 1.3472118000476538
Energy: 1.144851282088217
Energy: 1.1451914542506794
Energy: 1.3264055306429243
Energy: 1.450872907303572
Energy: 1.451051751319509
Energy: 1.3261111578055038
Energy: 1.1486902803348746
Energy: 1.4012995131963688
Energy: 1.325134345414371
Energy: 1.3439890031044048
Energy: 1.3286964990629075
Energy: 1.3247072487369047
Energy: 1.3245686806696295
Energy: 1.4005012893669915
Energy: 1.326425419721679
Energy: 1.4925881605838947
Energy: 1.3341389765958245
Energy: 1.3222037022127642
Energy: 1.3366824541740479
Energy: 1.4054218450416993
Energy: 1.3342342928988111
Energy: 1.4537673559416224
Energy: 1.4916741273254537
Energy: 1.45307849773416
Energy: 1.3340309105781472
Energy: 1.4101029496930304
Energy: 1.4738495435176764
Energy: 1.453587459324855
Energy: 1.4766477619021992
Energy: 1.4534767029586375
Energy: 1.499536639082427
Energy: 1.6613794678935028
Energy: 1.4753077596375441
Energy: 1.3327920140671234
Energy: 1.3418310602042653
Energy: 1.4735836641189284
Energy: 1.4518834298799879
Energy: 1.4074332045900966
Energy: 1.4536086424438923
Energy: 1.3299703988982383
Energy: 1.3324188734710416
Energy: 1.3216298418402854
Energy: 1.5003407734260656
Energy: 1.4079127665012363
Energy: 1.3243928958463091
Energy: 1.3592530790693427
Energy: 1.322784656282739
Energy: 1.3245627640025803
Energy: 1.453619565846893
Energy: 1.138019792714244
Energy: 1.3230783398137873
Energy: 1.3267133070127897
Energy: 1.1519108810257246
Energy: 1.3255858091847494
Energy: 1.4500974828945612

minimum gb energy = 1.1355302896341417 eV
minimum distance =  2.22852556332928 Angstroms
sigma value = 17


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

Energy: 2.322298212994629
Energy: 1.6681340116060661
Energy: 1.2811636942181943
Energy: 1.4614759999495903
Energy: 1.6691389245172734
Energy: 1.6383016905715932
Energy: 1.266976682032682
Energy: 1.4906396339463615
Energy: 1.2691647023761115
Energy: 1.2688185412503818
Energy: 1.272193208411842
Energy: 1.640280311820433
Energy: 1.2800502244197125
Energy: 1.4881603602169284
Energy: 1.2857631640895535
Energy: 1.260023847902226
Energy: 1.285548239458358
Energy: 1.6511732121200986
Energy: 1.6526959919153759
Energy: 1.4813929868469446
Energy: 1.2694576646385254
Energy: 1.2685707325009985
Energy: 1.4715599174587204
Energy: 1.4802629350618701
Energy: 1.2498311764513041
Energy: 1.4916445002476983
Energy: 1.4661851935907912
Energy: 1.263986504971335
Energy: 1.4687702547270043
Energy: 1.4912041750864806
Energy: 1.280116299061744
Energy: 1.492910444834785
Energy: 1.484495782068672
Energy: 1.2239209952721892
Energy: 1.4868047986969877
Energy: 1.4798712814490735
Energy: 1.268765312438162
Energy: 1.4665187142275753
Energy: 1.4725274425629826
Energy: 1.2676562234125603
Energy: 1.4726020373707667
Energy: 1.4653867493749644
Energy: 1.2690752269114731
Energy: 1.4861225355944623
Energy: 1.4866194213087238
Energy: 1.2820301413043502
Energy: 1.4881081169821875
Energy: 1.4848443025040274
Energy: 1.268527303210528
Energy: 1.4695999049022808
Energy: 1.6365863135135923
Energy: 1.6289196153987084
Energy: 1.4771812723209476
Energy: 1.467684790828465
Energy: 1.2688450609988662
Energy: 1.2792542625844991
Energy: 1.4913488583971506
Energy: 1.2742653722928479
Energy: 1.4688686487675504
Energy: 1.2684709794963653
Energy: 1.2558422889886913
Energy: 1.2885532372753004
Energy: 1.4953567311932532
Energy: 1.2823777237615528
Energy: 1.2922195934520033
Energy: 1.2831585264149457
Energy: 1.2528724779651264
Energy: 1.2767271174086874
Energy: 1.4915659010489923
Energy: 1.4494331441482398
Energy: 1.4667569814658277
Energy: 1.271912210421427
Energy: 1.2859389583227232
Energy: 1.4758904755144764
Energy: 1.4752545752876596
Energy: 1.4500576642093372
Energy: 1.4787952241506654
Energy: 1.4706566121377578
Energy: 1.2235564372123244
Energy: 1.4858385676913712
Energy: 1.4862656127169007
Energy: 1.2825649575407565
Energy: 1.4851707668927323
Energy: 1.2246851045529803
Energy: 1.2677858716035784
Energy: 1.4659909088699532
Energy: 1.466432770381271
Energy: 1.288603350644285
Energy: 1.3513905914322386
Energy: 1.4664505799794048
Energy: 1.2797637866519975
Energy: 1.4870884093518835
Energy: 1.4897767621251394
Energy: 1.466431638003874
Energy: 1.4922528042801868
Energy: 1.471029606692828
Energy: 1.2628675461457022
Energy: 1.4716503039850577
Energy: 1.4670411893413968
Energy: 1.3156009465667953
Energy: 1.4681644193674306
Energy: 1.6298961490115988

minimum gb energy = 1.2235564372123244 eV
minimum distance =  2.23060186854536 Angstroms
sigma value = 17


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

Energy: 1.682627483350657
Energy: 1.4788213031659654
Energy: 1.3219647867821502
Energy: 1.5215789061848302
Energy: 1.334829682850593
Energy: 1.7697082989285904
Energy: 1.3310480518030858
Energy: 1.4650977035753587
Energy: 1.3136468607774592
Energy: 1.312671263730702
Energy: 1.3216963909106612
Energy: 1.4752559752409182
Energy: 1.323655914934789
Energy: 1.4738632752985599
Energy: 1.3226082616403758
Energy: 1.3157824296185168
Energy: 1.3215617500430854
Energy: 1.6610933261028467
Energy: 1.8427035759537738
Energy: 1.6223967779835513
Energy: 1.3212089494109351
Energy: 1.342366526807928
Energy: 1.3348108489651025
Energy: 1.6209796466257493
Energy: 1.4322164565097666
Energy: 1.6997668474129508
Energy: 1.6193728658223592
Energy: 1.321752185139162
Energy: 1.7019800839095862
Energy: 1.622852199792159
Energy: 1.333215790717466
Energy: 1.3205342685316743
Energy: 1.6783097130842777
Energy: 1.531550990246703
Energy: 1.7225782826358935
Energy: 1.334413477059064
Energy: 1.3299771095401807
Energy: 1.3431377960464357
Energy: 1.622850807155307
Energy: 1.3219140643792204
Energy: 1.4747324151256596
Energy: 1.3350537170937218
Energy: 1.3099051966341755
Energy: 1.3131072590948223
Energy: 1.4718077030729826
Energy: 1.3358263194551245
Energy: 1.35820632412419
Energy: 1.315980776728862
Energy: 1.3211637712756892
Energy: 1.32298327410779
Energy: 1.557453076262711
Energy: 1.623947453760818
Energy: 1.4661229397548048
Energy: 1.3179216189792735
Energy: 1.4996015141728758
Energy: 1.4638311135669533
Energy: 1.4681803384899084
Energy: 1.4161967748812812
Energy: 1.4641007163634159
Energy: 1.4612591998831173
Energy: 1.5003869475587235
Energy: 1.4671629425680068
Energy: 1.490182591808913
Energy: 1.323680153444252
Energy: 1.4692630285733839
Energy: 1.4647716517390026
Energy: 1.4207599196657883
Energy: 1.4660556564254321
Energy: 1.5561842255239346
Energy: 1.4188704798502318
Energy: 1.6331547112842055
Energy: 1.4642893552595404
Energy: 1.3667171087054835
Energy: 1.6260718197231339
Energy: 1.629792103610505
Energy: 1.4171513574146393
Energy: 1.6249898935084466
Energy: 1.6499529870553442
Energy: 2.006206421480514
Energy: 1.54518141204447
Energy: 1.5413206920483058
Energy: 1.2935191637741768
Energy: 1.542796623534471
Energy: 1.762408620071273
Energy: 1.567426163972287
Energy: 1.5534669733408808
Energy: 1.2902631896370294
Energy: 1.291719267338844
Energy: 1.2881548067426565
Energy: 1.6265397192701612
Energy: 1.3679934780319798
Energy: 1.3022022784183216
Energy: 1.3069148828877313
Energy: 1.2946921308029506
Energy: 1.2985763304077027
Energy: 1.6670434353320391
Energy: 1.8346451014250535
Energy: 1.6483791880738259
Energy: 1.2927292328902174
Energy: 1.2956501104547349
Energy: 1.293287176128831
Energy: 1.6192639331634564
Energy: 1.835866427990851
Energy: 1.647626391648301
Energy: 1.5563791439322132
Energy: 1.3038665955897883
Energy: 1.5597245227835714
Energy: 1.6242666800838825
Energy: 1.5424689745164981
Energy: 1.6225564752988717
Energy: 1.61960446151731
Energy: 1.2885643149422865
Energy: 1.6228991975968894
Energy: 1.3186025258987544
Energy: 1.5000118931260193
Energy: 1.4611293722769687
Energy: 1.560054110897908
Energy: 1.4880004757649568
Energy: 1.6239096338627597
Energy: 1.457249651287268
Energy: 1.5049508132682308
Energy: 1.46954594741186
Energy: 1.4657155878849835
Energy: 1.3209393311683797
Energy: 1.464851534239897
Energy: 1.4614575239151402
Energy: 1.459758667308073
Energy: 1.4640111196974495
Energy: 1.5748913981783457
Energy: 1.5128993767188104
Energy: 1.4603162244703574
Energy: 1.314029116378439
Energy: 1.3131480012501826
Energy: 1.3172732913190555
Energy: 1.4683486035890814
Energy: 1.6577494249929938
Energy: 1.4696687495183027
Energy: 1.317217332408535
Energy: 1.3125234484319737
Energy: 1.3250821379601727
Energy: 1.475949426747543
Energy: 1.3214624810757458
Energy: 1.3160150025147332
Energy: 1.3165848959308852
Energy: 1.3267727514470196
Energy: 1.324775638015686
Energy: 1.6198216509388952
Energy: 1.5966789475230636
Energy: 1.619802404537298
Energy: 1.3424954991054419
Energy: 1.3240885344035196
Energy: 1.7181811086923406
Energy: 1.6293566100763193
Energy: 1.4170469216582122
Energy: 1.6257823481310396
Energy: 1.686409485009752
Energy: 1.2871455474832771
Energy: 1.6243707408025698
Energy: 1.716699396232212
Energy: 1.3232357672992132
Energy: 1.7186619687353328
Energy: 1.6716287904134053
Energy: 2.0267420377709398
Energy: 1.621102590850092
Energy: 1.3166877115801747
Energy: 1.3226718524322125
Energy: 1.316606077810956
Energy: 1.6204769955239977
Energy: 1.3232969628696518
Energy: 1.3170456585409622
Energy: 1.330355654450264
Energy: 1.3080020549958447
Energy: 1.3277420646145248
Energy: 1.4486420177451025
Energy: 1.8315881767637623
Energy: 1.4685256375936087
Energy: 1.315198255977168
Energy: 1.3139711634616822
Energy: 1.3168391699165145
Energy: 1.6225569995834312
Energy: 1.8372380129439854
Energy: 1.45983602683517
Energy: 1.4632555496969177
Energy: 1.4943652107673207
Energy: 1.4647479993500943
Energy: 1.6282537423004624
Energy: 1.3246979074534668
Energy: 1.466678304607238
Energy: 1.462315162707075
Energy: 1.312215492334741
Energy: 1.4748859229307338
Energy: 1.4789333056401228
Energy: 1.4878258263943307
Energy: 1.5579355976842189
Energy: 1.4602557816982362
Energy: 1.4574594092004538
Energy: 1.463180702095201
Energy: 1.5603718527679244
Energy: 1.8378250480626055
Energy: 1.6226437338697635
Energy: 1.530299358621455
Energy: 1.3662288041698736
Energy: 1.6253113218915887
Energy: 1.6238761377089976
Energy: 1.3221371436193914
Energy: 1.560734210706137
Energy: 1.6848748347844797
Energy: 1.5440398725486177
Energy: 1.645573496781343
Energy: 1.5600731411485178
Energy: 1.3040181912479498
Energy: 1.2924697055507377
Energy: 1.630797401189085
Energy: 1.5442689443174702
Energy: 1.5556613084543538
Energy: 1.291899868006498
Energy: 1.2896305826853198
Energy: 1.2971078180542894
Energy: 1.5870589188295396
Energy: 1.365815171162495
Energy: 1.3026776539289149
Energy: 1.2929592230735023
Energy: 1.299824303495935
Energy: 1.288128683713393
Energy: 1.6269850562788717
Energy: 1.3149615415429206
Energy: 1.4174918852182952
Energy: 1.2911501173097466
Energy: 1.3208732438868063
Energy: 1.5408986114664032
Energy: 1.7172491913625787
Energy: 1.6249508453706736
Energy: 1.5451339655744192
Energy: 1.303045207147564
Energy: 1.666865922803651
Energy: 1.6238560705453398
Energy: 1.6247855593216383
Energy: 1.3725773250210915
Energy: 1.6277957367434435
Energy: 1.6426337219476104
Energy: 1.4912508976584904
Energy: 1.6464340099114785
Energy: 1.4660294577572144
Energy: 1.505633925505847
Energy: 1.5208396482084643
Energy: 1.5535952907437045
Energy: 1.483027835439691
Energy: 1.50530365353792
Energy: 1.4604805748168421
Energy: 1.3065486528931527
Energy: 1.4596188267557848
Energy: 1.5711666877920332
Energy: 1.656588241546642
Energy: 1.4637242035133844
Energy: 1.4671876907199646
Energy: 1.499830101041351
Energy: 1.4628775406256669
Energy: 1.5802794127203468

minimum gb energy = 1.2871455474832771 eV
minimum distance =  2.17238428701674 Angstroms
sigma value = 57


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

Energy: 1.9469596872798296
Energy: 1.6863522954839132
Energy: 1.4464606017053434
Energy: 1.5239740517626181
Energy: 1.6833577210906627
Energy: 1.8213421218665744
Energy: 1.3389933719463805
Energy: 1.520190265753658
Energy: 1.363487337604242
Energy: 1.3309729741613434
Energy: 1.3632839485505845
Energy: 1.5153801381991674
Energy: 1.3569583161255483
Energy: 1.5198370962523162
Energy: 1.3611399960222224
Energy: 1.320953197871307
Energy: 1.35934118816303
Energy: 1.6905944777760622
Energy: 1.6441707148437623
Energy: 1.682595361125566
Energy: 1.4021862329974164
Energy: 1.3547892901925305
Energy: 1.3592461188510028
Energy: 1.666588771068048
Energy: 1.6572552564995502
Energy: 1.6647756191111784
Energy: 1.667643526795417
Energy: 1.6577915688979328
Energy: 1.6649970312269275
Energy: 1.6747000360396664
Energy: 1.3555281832545751
Energy: 1.3596105765415722
Energy: 1.6488130641890284
Energy: 1.650382647818667
Energy: 1.728990605775251
Energy: 1.3541948959001662
Energy: 1.337753356712715
Energy: 1.3441070100842796
Energy: 1.6949026194471906
Energy: 1.6655924404878255
Energy: 1.5515652431020062
Energy: 1.3502851995639498
Energy: 1.3318195913684352
Energy: 1.3475923612325917
Energy: 1.5633694300714713
Energy: 1.3491329708654662
Energy: 1.3665880072415098
Energy: 1.3527900982067458
Energy: 1.3448439033405355
Energy: 1.383712504151129
Energy: 1.6714017843476183
Energy: 1.5134272718282231
Energy: 1.523981734380001
Energy: 1.3512455991253012
Energy: 1.6541585304485702
Energy: 1.5183443275745003
Energy: 1.5226802193328552
Energy: 1.3490881658324572
Energy: 1.5162529046062088
Energy: 1.5360046020492022
Energy: 1.3589221113810777
Energy: 1.5165160970874074
Energy: 1.5943078359388496
Energy: 1.364700070647322
Energy: 1.5221306181380223
Energy: 1.511614563995074
Energy: 1.3580843045315223
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Energy: 1.517640830735959
Energy: 1.3416143208442837
Energy: 1.5295522737153955
Energy: 1.5488805586975136
Energy: 1.3589651114749488
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Energy: 1.522608321506177
Energy: 1.5470551522600717
Energy: 1.9396224609432418
Energy: 1.6461520166991321
Energy: 1.6002722940240492
Energy: 1.3629563221099539
Energy: 1.5894221538740287
Energy: 1.7992642730318475
Energy: 1.4653446667797076
Energy: 1.517720146324002
Energy: 1.3536098008295898
Energy: 1.3296889425828244
Energy: 1.361553231699045
Energy: 1.5215032245245286
Energy: 1.3542871415514988
Energy: 1.5128545693888087
Energy: 1.3545426987146711
Energy: 1.32393992985618
Energy: 1.352589363969253
Energy: 1.692573012777026
Energy: 1.6425807692793044
Energy: 1.6787360745320663
Energy: 1.3615324445289096
Energy: 1.3585385008323352
Energy: 1.348985077106613
Energy: 1.6645416814425678
Energy: 1.6555813708193583
Energy: 1.6796262449271486
Energy: 1.686904314295452
Energy: 1.366309093286432
Energy: 1.6792073414954065
Energy: 1.6686719981222449
Energy: 1.3434012375366928
Energy: 1.7283375380476886
Energy: 1.6478617475518282
Energy: 1.650179613396291
Energy: 1.7305828233147698
Energy: 1.3581956236273405
Energy: 1.3358433497914883
Energy: 1.3537360962184253
Energy: 1.6680331184766546
Energy: 1.6651362592979801
Energy: 1.543469081053838
Energy: 1.3338118408207758
Energy: 1.3348451750004144
Energy: 1.3516045681291142
Energy: 1.5561433254096602
Energy: 1.3546263863102925
Energy: 1.3670517740493862
Energy: 1.3570293171308205
Energy: 1.3506938036161389
Energy: 1.3489334846392373
Energy: 1.669627167054694
Energy: 1.5460693726445247
Energy: 1.5231351729046745
Energy: 1.3540280458742138
Energy: 1.3642451194199912
Energy: 1.525469702649046
Energy: 1.5164578677512526
Energy: 1.3385923111655331
Energy: 1.5157248178609652
Energy: 1.5461397190646702
Energy: 1.3679283723987807
Energy: 1.5201205012747263
Energy: 1.595142892665645
Energy: 1.369306462957813
Energy: 1.5194023250098432
Energy: 1.5130629577731114
Energy: 1.360281649138317
Energy: 1.5505638810735782
Energy: 1.5190649592578647
Energy: 1.3412025494402138
Energy: 1.5663060696857933
Energy: 1.547432910524287
Energy: 1.3638691028812981
Energy: 1.518505621156565
Energy: 1.5147381020124766
Energy: 1.3431416730120163
Energy: 1.5195598753201718
Energy: 1.4991709046123118
Energy: 1.9409459359837022
Energy: 1.5983450138427082
Energy: 1.5924253445274987
Energy: 1.361453467739633
Energy: 1.5397146748578467
Energy: 1.64753598875074

minimum gb energy = 1.320953197871307 eV
minimum distance =  2.17266961634486 Angstroms
sigma value = 43


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

Energy: 1.401070477611934
Energy: 1.5573234439874812
Energy: 1.3811195566621823
Energy: 1.3815890780049287
Energy: 1.6340365711298512
Energy: 1.7525700240785687
Energy: 1.4084777770221162
Energy: 1.3843624145220348
Energy: 1.3753031058612146
Energy: 1.371098649536066
Energy: 1.400414770949874
Energy: 1.5276451328665885
Energy: 1.5130992120563616
Energy: 1.6970064547108152
Energy: 1.3825362514583202
Energy: 1.3725434879751668
Energy: 1.3829771940811162
Energy: 1.6655387685225589
Energy: 1.6132187789395218
Energy: 1.6681572370105258
Energy: 1.3921440555224838
Energy: 1.3875120848028786
Energy: 1.5491884463435488
Energy: 1.6647519048229873
Energy: 1.6243949723699442
Energy: 1.664320463411279
Energy: 1.661649604357617
Energy: 1.408958913780666
Energy: 1.6609047901618808
Energy: 1.6650618957295376
Energy: 1.3580783128608414
Energy: 1.3706832639576587
Energy: 1.7584006593374024
Energy: 1.3261800224525415
Energy: 1.583102089919291
Energy: 1.3690453286607465
Energy: 1.341614248140392
Energy: 1.3448074641714747
Energy: 1.667418676334996
Energy: 1.448657742083975
Energy: 1.3430819912332588
Energy: 1.3454400555869948
Energy: 1.3420910026479056
Energy: 1.346490343192024
Energy: 1.54512088170827
Energy: 1.4466890195579405
Energy: 1.345532315665028
Energy: 1.3437392505421413
Energy: 1.3632537247332304
Energy: 1.3488333463530344
Energy: 1.6653197368716568
Energy: 1.5321318335057912
Energy: 1.715662211761037
Energy: 1.3600191261449677
Energy: 1.7154349811720517
Energy: 1.6649574157171503
Energy: 1.6623317131747923
Energy: 1.4443736010292243
Energy: 1.660993540524392
Energy: 1.6654594910401497
Energy: 1.8175203758823062
Energy: 1.6613974092155495
Energy: 1.4013582698735692
Energy: 1.3927987646529476
Energy: 1.5371891108002833
Energy: 1.615579389157884
Energy: 1.6247775022652369
Energy: 1.6954537430423755
Energy: 1.3768732662766365
Energy: 1.3748966815867902
Energy: 1.378331747063879
Energy: 1.6652790492121854
Energy: 1.5126468918867773
Energy: 1.3822922744231114
Energy: 1.37366045956973
Energy: 1.372342388019886
Energy: 1.3811757207897433
Energy: 1.5787122313831399
Energy: 1.6108882732297252
Energy: 1.528595484705902
Energy: 1.3958552034964953
Energy: 1.3880722335991007
Energy: 1.3936887013401642
Energy: 1.5723133361301744
Energy: 1.4497059599037134
Energy: 1.529669204705249
Energy: 1.5277751644961122
Energy: 1.3753124699790236
Energy: 1.5262265709961669
Energy: 1.5326301864338328
Energy: 1.6159289881182557
Energy: 1.5721127062351112
Energy: 1.5263326089024438
Energy: 1.374477567679396
Energy: 1.5255391877797841
Energy: 1.5511567095614
Energy: 1.6146633020226981
Energy: 1.5284832849305559
Energy: 1.5263398712862752
Energy: 1.514064407308161
Energy: 1.4867610698002154
Energy: 1.5235309449845247
Energy: 1.6130189976529954
Energy: 1.5275060747225035
Energy: 1.5251797343373068
Energy: 1.408725051630703
Energy: 1.5270781713634838
Energy: 1.5265999327645305
Energy: 1.3800597193373518
Energy: 1.6322585471478224
Energy: 1.83317210621932
Energy: 1.7532531098668356
Energy: 1.3778301656297458
Energy: 1.3825645070042454
Energy: 1.3703509799353928
Energy: 1.3825112354261033
Energy: 1.52669397511391
Energy: 1.4074737554481787
Energy: 1.3822126527943193
Energy: 1.3744650524509938
Energy: 1.3674156622381435
Energy: 1.3757873310288653
Energy: 1.6835022465490908
Energy: 1.5140410735451848
Energy: 1.3765229413863929
Energy: 1.37497184718127
Energy: 1.3876558796592433
Energy: 1.395524186002453
Energy: 1.665314037052228
Energy: 1.468899936409636
Energy: 1.6604422519173248
Energy: 1.3880832066949005
Energy: 1.4054553734801485
Energy: 1.6614475788574579
Energy: 1.6662021161960998
Energy: 1.3741343215996396
Energy: 1.6660476984847976
Energy: 1.6602811501008774
Energy: 1.8150210178946233
Energy: 1.5828127815844149
Energy: 1.3487083294417972
Energy: 1.3705548261340696
Energy: 1.5809528641448738
Energy: 1.7577592437065785
Energy: 1.4491902002478911
Energy: 1.5457105494340746
Energy: 1.3453228514505389
Energy: 1.3432618882619802
Energy: 1.3443812386830598
Energy: 1.697281419699216
Energy: 1.448190155633156
Energy: 1.5449706427318664
Energy: 1.3430664242160086
Energy: 1.3430175104856312
Energy: 1.3452061024584234
Energy: 1.6982465405531535
Energy: 1.6065918443235263
Energy: 1.6655898457873344
Energy: 1.3681724929948116
Energy: 1.3642419457985728
Energy: 1.3725384176767983
Energy: 1.6402404019362564
Energy: 1.453085455908889
Energy: 1.6620729987178393
Energy: 1.6655928942648441
Energy: 1.374750685116375
Energy: 1.6666651329589832
Energy: 1.6616652313867706
Energy: 1.3890856786108021
Energy: 1.3879691041193813
Energy: 1.668907631074471
Energy: 1.6164927171155992
Energy: 1.6930104781793436
Energy: 1.3885833114054926
Energy: 1.3747894418925797
Energy: 1.3908858621065456
Energy: 1.6646216251593977
Energy: 1.6159958025707022
Energy: 1.5636360553559192
Energy: 1.3832496468255762
Energy: 1.3714829726105182
Energy: 1.3731123770254778
Energy: 1.5309635263418089
Energy: 1.5134794999613244
Energy: 1.3837979915450862
Energy: 1.3823006790833576
Energy: 1.3882827455298665
Energy: 1.3889129648512173
Energy: 1.7241347305759764
Energy: 1.5059638633739045
Energy: 1.3955661912456636
Energy: 1.3887649062639773
Energy: 1.611014128092387
Energy: 1.5281232476941005
Energy: 1.5254022949925727
Energy: 1.4487378301670488
Energy: 1.5262470010478377
Energy: 1.5278911076026749
Energy: 1.6137680880643224
Energy: 1.5266246076358154
Energy: 1.527147955182608
Energy: 1.6175868931014534
Energy: 1.58642128578731
Energy: 1.524467624303693
Energy: 1.5115708279041675
Energy: 1.5250735657457208
Energy: 1.526220900476852
Energy: 1.3729851216352413
Energy: 1.5260501964897066
Energy: 1.5470090128617802
Energy: 1.4111083465309995
Energy: 1.5268079197033317
Energy: 1.5273833758204318
Energy: 1.3735411487322893
Energy: 1.5261961085579754
Energy: 1.5822906628707267

minimum gb energy = 1.3261800224525415 eV
minimum distance =  2.20065581569198 Angstroms
sigma value = 81


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

Energy: 1.345647421769987
Energy: 1.6253441103773434
Energy: 1.556010634899992
Energy: 1.5595217911724866
Energy: 1.6241037830098568
Energy: 1.3729004421573248
Energy: 1.395207670154375
Energy: 1.4318883805270415
Energy: 1.3861427100425419
Energy: 1.3790070195176345
Energy: 1.3896623791738525
Energy: 1.4305040399528448
Energy: 1.440030972519025
Energy: 1.431611593754948
Energy: 1.3818747446921409
Energy: 1.3791464526175865
Energy: 1.3792742844648227
Energy: 1.4304878643367616
Energy: 1.4396888056586332
Energy: 1.4299002557849543
Energy: 1.3802512664452835
Energy: 1.3806063953333634
Energy: 1.4314432292858486
Energy: 1.4360423467947159
Energy: 1.446441664492272
Energy: 1.4335392519906565
Energy: 1.4317025158019583
Energy: 1.3725496719569568
Energy: 1.4339278365704973
Energy: 1.430624701360451
Energy: 1.3952338017906611
Energy: 1.5593197542432584
Energy: 1.3736611217145809
Energy: 1.3530337887637602
Energy: 1.4316096432720469
Energy: 1.380596444681174
Energy: 1.3913958644364917
Energy: 1.3876714377586923
Energy: 1.430242496993852
Energy: 1.3790952295548247
Energy: 1.5600666884897638
Energy: 1.3803251094668023
Energy: 1.391526870873614
Energy: 1.3806130133024286
Energy: 1.4341091967420694
Energy: 1.4303400192740923
Energy: 1.4306725348857152
Energy: 1.3785785339919643
Energy: 1.5628676956861447
Energy: 1.3789801902744157
Energy: 1.4321149359726126
Energy: 1.4315709519992441
Energy: 1.4332767536835862
Energy: 1.3819434592698037
Energy: 1.3814821615894035
Energy: 1.4376531126372853
Energy: 1.4301075799155158
Energy: 1.4319349111608402
Energy: 1.431515905540517
Energy: 1.4293775458453504

minimum gb energy = 1.345647421769987 eV
minimum distance =  2.24297714574525 Angstroms
sigma value = 3


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

Energy: 1.6337000205602603
Energy: 1.4959874441333865
Energy: 1.6424094009747423
Energy: 1.5572710280164521
Energy: 1.493521884321125
Energy: 1.770028700487196
Energy: 1.5123339227199366
Energy: 1.3570213429239513
Energy: 1.5103092760621266
Energy: 1.4910423097110947
Energy: 1.3546504716368437
Energy: 1.544262766796132
Energy: 1.5171114111838298
Energy: 1.422399559779113
Energy: 1.3551306100025324
Energy: 1.4904258779005857
Energy: 1.3613823090852657
Energy: 1.4937472807584935
Energy: 1.4886202635265395
Energy: 1.520831682634069
Energy: 1.3690922854663872
Energy: 1.5135380580188977
Energy: 1.5128736007359704
Energy: 1.5162833476499291
Energy: 1.4871521160601002
Energy: 1.5215990805155244
Energy: 1.6311870379795523
Energy: 1.7094459574002718
Energy: 1.5442992357023781
Energy: 1.4898645340198529
Energy: 1.6072944620062575
Energy: 1.5036301299151842
Energy: 1.6079259637784171
Energy: 1.6807065952740254
Energy: 1.5162837518921346
Energy: 1.5595882795826421
Energy: 1.6239646467022943
Energy: 1.5240173440244813
Energy: 1.7400369833932938
Energy: 1.5174224487206929
Energy: 1.6914710916460618
Energy: 1.5240532712953343
Energy: 1.6248058414032542
Energy: 1.5202517546749705
Energy: 1.3666839651524723
Energy: 1.362906679592665
Energy: 1.3564100610833982
Energy: 1.5224883148016628
Energy: 1.7121040028331844
Energy: 1.358527535959029
Energy: 1.3556620078241175
Energy: 1.3419956229742311
Energy: 1.3566184889609871
Energy: 1.7038913618178662
Energy: 1.7122880281618356
Energy: 1.3537496744477295
Energy: 1.3541930561042763
Energy: 1.3630156117719734
Energy: 1.352815818044233
Energy: 1.6256438741832333
Energy: 1.6050794564137734
Energy: 1.600940646986261
Energy: 1.6181494798923972
Energy: 1.3604768637833347
Energy: 1.6247499598109014
Energy: 1.730938015968803
Energy: 1.7124359831867866
Energy: 1.6730082391114487
Energy: 1.3637772384874403
Energy: 1.7425666521236778
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Energy: 1.7378666780042071
Energy: 1.3274226487601495
Energy: 1.3578169100645294
Energy: 1.3567676623063436
Energy: 1.7428806063707827
Energy: 1.3546495379089227
Energy: 1.3640374672788176
Energy: 1.3251932226122776
Energy: 1.3568556793874946
Energy: 1.3555433289626013
Energy: 1.7131113089059848
Energy: 1.3549750410006085
Energy: 1.3441580097935109
Energy: 1.3295863082858577
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Energy: 1.3538895422401718
Energy: 1.6996466673738142
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Energy: 1.3622983525593935
Energy: 1.3623416383190314
Energy: 1.5806753687272244
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Energy: 1.6993888339582697
Energy: 1.5749711254441743
Energy: 1.510925139514663
Energy: 1.7449966705022248
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Energy: 1.7200476029477514
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Energy: 1.503142042443806
Energy: 1.3231688174936882
Energy: 1.7472068546694315
Energy: 1.35671380484831
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Energy: 1.353498825323847
Energy: 1.675386388739836
Energy: 1.5109850674841585
Energy: 1.5184621978460258
Energy: 1.5193227108082992
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Energy: 1.527896528707772
Energy: 1.4880930060153188
Energy: 1.3579947048381495
Energy: 1.362269023914444
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Energy: 1.3520986684085698
Energy: 1.519275049028013
Energy: 1.4866019362327567
Energy: 1.5193042556619119
Energy: 1.5131353620174943
Energy: 1.514581483714844
Energy: 1.517966645854704
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Energy: 1.489755621797571
Energy: 1.5271240327069517
Energy: 1.5870552939163192
Energy: 1.533869556940463
Energy: 1.49846380546083
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Energy: 1.6976804399274172
Energy: 1.4954957299228764
Energy: 1.6318690773476685
Energy: 1.7090706966482199
Energy: 1.6959793659402211
Energy: 1.7201941982497342
Energy: 1.6279463987201692
Energy: 1.7438887967340986
Energy: 1.3711215326964332
Energy: 1.3646597137492211
Energy: 1.606627583203097
Energy: 1.6783740754280754
Energy: 1.698030799250316
Energy: 1.496656684649295
Energy: 1.354837987653831
Energy: 1.3556464147659513
Energy: 1.3643680160813694
Energy: 1.7197727249685515
Energy: 1.7122372056789383
Energy: 1.3564242838397018
Energy: 1.366191445297749
Energy: 1.3550196797864686
Energy: 1.354096757089737
Energy: 1.4730379682143042
Energy: 1.605973106431667
Energy: 1.6046394245798254
Energy: 1.366257860642701
Energy: 1.3618680522078428
Energy: 1.535586221933741
Energy: 1.7336797827529766
Energy: 1.7138107137501923
Energy: 1.5359183989869838
Energy: 1.5357596095029955
Energy: 1.742716921466827
Energy: 1.532695450460928
Energy: 1.6667341370983597
Energy: 1.3318703730345245
Energy: 1.3595058957802928
Energy: 1.7650115023098247
Energy: 1.7710614801521034
Energy: 1.5886585981729495
Energy: 1.3682689803346155
Energy: 1.3279147706304697
Energy: 1.354707580114445
Energy: 1.3542293341356102
Energy: 1.7127762652685936
Energy: 1.3551358427656643
Energy: 1.349916579019051
Energy: 1.3287169460452146
Energy: 1.3522719717233311
Energy: 1.4967442223156853
Energy: 1.7033220286694235
Energy: 1.355080079807416
Energy: 1.3575550301012536
Energy: 1.353695356537659
Energy: 1.5138861386599596
Energy: 1.7360664836077682
Energy: 1.7436689725724532
Energy: 1.5723238605048016
Energy: 1.3706896077350914
Energy: 1.6654899110710146
Energy: 1.6315275746028153
Energy: 1.516766826747707
Energy: 1.6991471695267784
Energy: 1.3529006641275623
Energy: 1.6751730224340762

minimum gb energy = 1.3231688174936882 eV
minimum distance =  2.22290706913685 Angstroms
sigma value = 67


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

Energy: 1.7914164030561226
Energy: 1.8531504287225162
Energy: 1.6096049916126713
Energy: 1.5045013657186928
Energy: 1.8541022597371373
Energy: 1.853643178436748
Energy: 1.475330083821363
Energy: 1.4412085596142807
Energy: 1.4814294192014963
Energy: 1.472917417038215
Energy: 1.4352690369664913
Energy: 1.5268677915960172
Energy: 1.4877685785972692
Energy: 1.3436894169129001
Energy: 1.5219878318894395
Energy: 1.4714296936277849
Energy: 1.4367033738439288
Energy: 1.4725414213135544
Energy: 1.4737750313645304
Energy: 1.510486024180944
Energy: 1.3638071857700933
Energy: 1.4684775208956775
Energy: 1.3476614719484297
Energy: 1.5037656619025517
Energy: 1.489946878264284
Energy: 1.5507215028554289
Energy: 1.6861044853815248
Energy: 1.515053748084602
Energy: 1.5250929415508234
Energy: 1.5002252716281796
Energy: 1.5385661076336972
Energy: 1.5601622580627494
Energy: 1.8052112896843684
Energy: 1.5056554820263577
Energy: 1.7926457349351772
Energy: 1.5668615614683494
Energy: 1.6579395396384702
Energy: 1.5436489357313006
Energy: 1.5546340055728973
Energy: 1.2967455077781618
Energy: 1.555919825210655
Energy: 1.538945340185517
Energy: 1.658548721993028
Energy: 1.5372131930633515
Energy: 1.295433211151359
Energy: 1.2978653119034496
Energy: 1.3020971324183819
Energy: 1.7357862679244624
Energy: 1.6739962148243424
Energy: 1.3080306659338683
Energy: 1.2931915783683132
Energy: 1.2816621477441383
Energy: 1.2800382229480727
Energy: 1.6744396074249595
Energy: 1.6931029652000553
Energy: 1.4714421761713803
Energy: 1.3334185473066802
Energy: 1.2988756762805707
Energy: 1.3532954275894398
Energy: 1.5831591980523605
Energy: 1.6910005968189952
Energy: 1.818554563709481
Energy: 1.6083945907693107
Energy: 1.3004573576581284
Energy: 1.7245915220342403
Energy: 1.5463573095326326
Energy: 1.6755958051602002
Energy: 1.792919149722255
Energy: 1.2891076963627963
Energy: 1.6544767767831308
Energy: 1.438891390209844
Energy: 1.686587730698223
Energy: 1.469389100361708
Energy: 1.4716633484598922
Energy: 1.281342421114529
Energy: 1.6744847795531903
Energy: 1.461602405442487
Energy: 1.5249397293894589
Energy: 1.4707354837549835
Energy: 1.509668882386403
Energy: 1.3489885715078842
Energy: 1.4948395804890005
Energy: 1.4383765720713806
Energy: 1.505027669010965
Energy: 1.472992375749742
Energy: 1.4477609927760997
Energy: 1.5544192211548695
Energy: 1.484645087363039
Energy: 1.4634858788639842
Energy: 1.525599875764974
Energy: 1.4703221656622723
Energy: 1.472663248501923
Energy: 1.5219014575292864
Energy: 1.4702905729891225
Energy: 1.5382923350839954
Energy: 1.498606738260084
Energy: 1.692628235893511
Energy: 1.4453163597975387
Energy: 1.5178578857349474
Energy: 1.5280597600826633
Energy: 1.5453503188843056
Energy: 1.580423161721846
Energy: 1.6959333853906038
Energy: 1.4618389371795346
Energy: 1.5472135233501152
Energy: 1.6873035004464825
Energy: 1.5457376190473138
Energy: 1.2893598538373143
Energy: 1.2825858450477552
Energy: 1.3284919022765989
Energy: 1.726317785015529
Energy: 1.7344495414207035
Energy: 1.8068644468987396
Energy: 1.348622318652604
Energy: 1.2959313041062133
Energy: 1.3151256066219237
Energy: 1.4373808768866676
Energy: 1.6906349538537708
Energy: 1.291081337024265
Energy: 1.3098239892519963
Energy: 1.2786274653076661
Energy: 1.2856160903944363
Energy: 1.2860049417070964
Energy: 1.6775934528151504
Energy: 1.2824825527734194
Energy: 1.2823653003289848
Energy: 1.3035681626967803
Energy: 1.3504563552270124
Energy: 1.818519002854137
Energy: 1.4720968716471055
Energy: 1.7199464399330278
Energy: 1.330026159723692
Energy: 1.6585942867570052
Energy: 1.4683002704210493
Energy: 1.507196512159253
Energy: 1.690367596522172
Energy: 1.4368618435151468
Energy: 1.3470953846431788

minimum gb energy = 1.2786274653076661 eV
minimum distance =  2.21241292374551 Angstroms
sigma value = 33


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

Energy: 1.85725516747904
Energy: 1.7430871106143446
Energy: 1.5917652161236222
Energy: 1.5987643918643732
Energy: 1.5891637933844942
Energy: 1.876728681557111
Energy: 1.3763898534674888
Energy: 1.4103432577993578
Energy: 1.590009992845678
Energy: 1.554505746432774
Energy: 1.4721547321624884
Energy: 1.473844465917302
Energy: 1.347489162101093
Energy: 1.3606939318804752
Energy: 1.5864203404874577
Energy: 1.4623928164557722
Energy: 1.4729289128219505
Energy: 1.3454608625776456
Energy: 1.333299295370651
Energy: 1.3648484483498682
Energy: 1.365445199835177
Energy: 1.553414609749742
Energy: 1.3430010086914
Energy: 1.3601425083914107
Energy: 1.3465607515480567
Energy: 1.3485237910166659
Energy: 1.4697494237677122
Energy: 1.4819518390992497
Energy: 1.3795629129466762
Energy: 1.3503222453833943
Energy: 1.35328370275335
Energy: 1.5063878804222766
Energy: 1.688599906712793
Energy: 1.624772386850058
Energy: 1.6851940469465907
Energy: 1.3520099221506257
Energy: 1.6068053534471105
Energy: 1.3830367776067993
Energy: 1.6927724260346575
Energy: 1.481452598430391
Energy: 1.664270064103204
Energy: 1.4356338298600944
Energy: 1.6057875653408962
Energy: 1.3657460328729252
Energy: 1.3315472076074117
Energy: 1.346281645700004
Energy: 1.3587161461306032
Energy: 1.489219945350638
Energy: 1.5842621901228626
Energy: 1.248901113246244
Energy: 1.3703439214365507
Energy: 1.331724995859538
Energy: 1.3894032727373469
Energy: 1.5303439545879274
Energy: 1.5461494949050332
Energy: 1.361101983705078
Energy: 1.3742515855856208
Energy: 1.333251179886254
Energy: 1.3395379061219876
Energy: 1.5518425007141752
Energy: 1.5465277198338432
Energy: 1.6411238050274521
Energy: 1.3592271543041008
Energy: 1.352152722057356
Energy: 1.4365931631696511
Energy: 1.6348295777445723
Energy: 1.5526540799376716
Energy: 1.547472964868122
Energy: 1.2467138964438733
Energy: 1.4872296713313673
Energy: 1.3393642432533228
Energy: 1.5493519929906316
Energy: 1.6831188751700004
Energy: 1.7565321141984098
Energy: 1.2443110981785959
Energy: 1.4889663835913183
Energy: 1.2493774027510196
Energy: 1.6212071879447292
Energy: 1.691107822801145
Energy: 1.8376276846741695
Energy: 1.2466277403889539
Energy: 1.2383261511135404
Energy: 1.3413211808789205
Energy: 1.7827966324962718
Energy: 1.6583877975064711
Energy: 1.3593841123395622
Energy: 1.24854599551279
Energy: 1.243296203573831
Energy: 1.2646869413070079
Energy: 1.5631867839290443
Energy: 1.6432566622150366
Energy: 1.2377650944142402
Energy: 1.240936519980408
Energy: 1.2324543530988694
Energy: 1.2508747166348653
Energy: 1.6233185722106944
Energy: 1.5582462490780313
Energy: 1.6602764168871114
Energy: 1.273727475828425
Energy: 1.2462960251593154
Energy: 1.2750130382591323
Energy: 1.6360659464086003
Energy: 1.6835294960889184
Energy: 1.4758604731984493
Energy: 1.484658551219538
Energy: 1.350029873078457
Energy: 1.6602460151903788
Energy: 1.5480573736288141
Energy: 1.5938258814947135
Energy: 1.5912862005515573
Energy: 1.4445638985612568
Energy: 1.8749552699023513
Energy: 1.7274611356938023
Energy: 1.5654523124097977
Energy: 1.5516019690789513
Energy: 1.472535036554688
Energy: 1.4124303568350363
Energy: 1.4947409456270535
Energy: 1.4125302599648193
Energy: 1.547953211435748
Energy: 1.430119162814509
Energy: 1.5861016199035745
Energy: 1.3686866407586005
Energy: 1.3487975871634093
Energy: 1.4378318365555753
Energy: 1.6305793241854556
Energy: 1.5542950060355336
Energy: 1.3643647134901065
Energy: 1.3630743896237956
Energy: 1.364083233646119
Energy: 1.3637207694391984
Energy: 1.5476015097055933
Energy: 1.4808427359269676
Energy: 1.3768021227908263
Energy: 1.3468358088136647
Energy: 1.3461412873716674
Energy: 1.4016909690915977
Energy: 1.665419481307936
Energy: 1.676818430448991
Energy: 1.8282993815007098
Energy: 1.3630256405034091
Energy: 1.352150053357715
Energy: 1.340644276377702
Energy: 1.8328078641714005
Energy: 1.480647043987157
Energy: 1.6820171701315614
Energy: 1.343470292501678
Energy: 1.5088300912454393
Energy: 1.3722999427293954
Energy: 1.6599184112358212
Energy: 1.3496962626349633
Energy: 1.3378335438567397
Energy: 1.874828056438853
Energy: 1.6923594511715374
Energy: 1.3034310334820114
Energy: 1.3509818631058117
Energy: 1.3326843353851043
Energy: 1.362704580096269
Energy: 1.4149469927766125
Energy: 1.533309642141226
Energy: 1.3771203985618972
Energy: 1.3629419018925146
Energy: 1.3319423598679214
Energy: 1.3379338565836345
Energy: 1.4144639285023872
Energy: 1.5472273348129126
Energy: 1.3658523795418525
Energy: 1.3678176841541037
Energy: 1.3438050058507358
Energy: 1.369954531430534
Energy: 1.632028991154512
Energy: 1.6317855785835333
Energy: 1.6345248699281194
Energy: 1.3423507519374982
Energy: 1.5262405235682397
Energy: 1.3357410724232421
Energy: 1.5488746865008807
Energy: 1.548527063774262
Energy: 1.5488114237573223
Energy: 1.3350172900512727
Energy: 1.5704339047597862
Energy: 1.2507479059973123
Energy: 1.621219183694227
Energy: 1.6795758910334864
Energy: 1.756615431082463
Energy: 1.3547945745356698
Energy: 1.3464614845885605
Energy: 1.454914183206065
Energy: 1.635594597396046
Energy: 1.6968229953254323
Energy: 1.6351861870951871
Energy: 1.3910970398257199
Energy: 1.2370412180676078
Energy: 1.2494690936759163
Energy: 1.436287332721052
Energy: 1.657304939399707
Energy: 1.2455955004580737
Energy: 1.2508029959284535
Energy: 1.2301327121298693
Energy: 1.2424684586763173
Energy: 1.2496034597012506
Energy: 1.6658465486028593
Energy: 1.2406831267567324
Energy: 1.2371572860302258
Energy: 1.2431229599752287
Energy: 1.2714429247426406
Energy: 1.4733775630059516
Energy: 1.574097977226218
Energy: 1.3630133175560877
Energy: 1.2543974143105092
Energy: 1.3425292671834126
Energy: 1.658465049111074
Energy: 1.6369460904601825
Energy: 1.6780736670033298
Energy: 1.4735883071762441
Energy: 1.360207402479872
Energy: 1.5958881644328524
Energy: 1.3923508509866769
Energy: 1.6225636671825812
Energy: 1.6715683622766668
Energy: 1.7253781552575744
Energy: 1.87699015553709

minimum gb energy = 1.2301327121298693 eV
minimum distance =  2.22212120493041 Angstroms
sigma value = 41


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

Energy: 1.8959374422925366
Energy: 1.7583937737421893
Energy: 1.3381205492679382
Energy: 1.3540018514572867
Energy: 1.3418178615852934
Energy: 1.7501499435338723
Energy: 1.3271770849839186
Energy: 1.0980806191778751
Energy: 1.0977756117088946
Energy: 1.375843570908251
Energy: 1.0995803338003323
Energy: 1.3636263245768712
Energy: 1.3247788938107643
Energy: 1.0998078096194674
Energy: 1.1134656021326559
Energy: 1.0391483218174555
Energy: 1.1022636416449916
Energy: 1.372965068889041
Energy: 1.367491299408762
Energy: 1.4259039288378061
Energy: 1.0996987850246391
Energy: 1.3302600536007079
Energy: 1.1042771913784393
Energy: 1.420307406943606
Energy: 1.3295304064542144
Energy: 1.3599606257628702
Energy: 1.4295821808025717
Energy: 1.33309427860639
Energy: 1.425245048819796
Energy: 1.3435003157679124
Energy: 1.3366471959183706
Energy: 1.3587794951851073
Energy: 1.7409200831349219
Energy: 1.4008188543222546
Energy: 1.730348513807646
Energy: 1.3489176121195505
Energy: 1.5990313541869565
Energy: 1.415053887837147
Energy: 1.0997661788341422
Energy: 1.3392325811696184
Energy: 1.4159867993734188
Energy: 1.6010435013414175
Energy: 1.6033488886658336
Energy: 1.4178993755006963
Energy: 1.3532358696217708
Energy: 1.3318202041141407
Energy: 1.1011083096505603
Energy: 1.756145983657572
Energy: 1.332214055546713
Energy: 1.1019959335017677
Energy: 1.0992228809979263
Energy: 1.039945150589785
Energy: 1.1070640281131943
Energy: 1.3567885576275123
Energy: 1.3403445457291103
Energy: 1.1043569819968595
Energy: 1.099187633109237
Energy: 1.3761268323248461
Energy: 1.1017002351550191
Energy: 1.3577852263708887
Energy: 1.3409651349722276
Energy: 1.4239183996533584
Energy: 1.099237102351707
Energy: 1.3686488334025255
Energy: 1.4426453268017116
Energy: 1.4194799128609825
Energy: 1.3306569965401598
Energy: 1.3660650936743648
Energy: 1.1008807292996976
Energy: 1.336114615346543
Energy: 1.1028492645013859
Energy: 1.3470388507385387
Energy: 1.334114182778291
Energy: 1.3658809728342398
Energy: 1.1005764787556946
Energy: 1.3868300955513064
Energy: 1.1026897772325501
Energy: 1.3491963999530017
Energy: 1.6021060146758705
Energy: 1.4262594238820507
Energy: 1.3590056725315909
Energy: 1.366589848474969
Energy: 1.3596621197791694
Energy: 1.7526987634486901

minimum gb energy = 1.0391483218174555 eV
minimum distance =  2.21905369403877 Angstroms
sigma value = 11


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

Energy: 1.7967401436620238
Energy: 1.561632062547234
Energy: 1.4944889739626508
Energy: 1.4789790369569795
Energy: 1.4480467029816992
Energy: 1.9142901933288392
Energy: 1.289085053696442
Energy: 1.4796297960458316
Energy: 1.4431269814260035
Energy: 1.6211853292688576
Energy: 1.4405382044211883
Energy: 1.2926577208058665
Energy: 1.2724651399766802
Energy: 1.2992360582794507
Energy: 1.451793956755295
Energy: 1.568218984529094
Energy: 1.4501543571580853
Energy: 1.295923238003063
Energy: 1.27229491053742
Energy: 1.2989352613803964
Energy: 1.2947795266166782
Energy: 1.5406884874542652
Energy: 1.2983147728801678
Energy: 1.2949336560193367
Energy: 1.2667204392092708
Energy: 1.277615106151961
Energy: 1.298180194372955
Energy: 1.4872941906944779
Energy: 1.2966253178309495
Energy: 1.2842391037975025
Energy: 1.276553229900204
Energy: 1.2785590884586644
Energy: 1.7477360325436395
Energy: 1.6359825314995717
Energy: 1.7496054470665325
Energy: 1.2766366523298418
Energy: 1.3726685008260842
Energy: 1.3977859489781104
Energy: 1.5632618792318624
Energy: 1.5615949287444693
Energy: 1.6200913570137403
Energy: 1.4357907540253256
Energy: 1.6460706007350405
Energy: 1.4287655586439325
Energy: 1.451480136847206
Energy: 1.4494452597815395
Energy: 1.4510183542355777
Energy: 1.7400141179864868
Energy: 1.2737521266507574
Energy: 1.282762331477066
Energy: 1.4357692359667777
Energy: 1.7590024387697578
Energy: 1.3991446514289645
Energy: 1.277291671234954
Energy: 1.3719463621518493
Energy: 1.389686881029743
Energy: 1.3989491976208852
Energy: 1.7583106727690818
Energy: 1.398122496963934
Energy: 1.374567475242451
Energy: 1.386625650586444
Energy: 1.430846115593617
Energy: 1.322488361299413
Energy: 1.373023424659026
Energy: 1.4045376718735585
Energy: 1.4279088865423488
Energy: 1.386579349068932
Energy: 1.3236927464906931
Energy: 1.4294529842347523
Energy: 1.3871699795951693
Energy: 1.3971429473861021
Energy: 1.4103267749043393
Energy: 1.3713169195953703
Energy: 1.4322129434487425
Energy: 1.407554430640135
Energy: 1.3833425070690062
Energy: 1.4269108424844275
Energy: 1.4271613786914756
Energy: 1.6182101177679824
Energy: 1.394724735765958
Energy: 1.3926050438988564
Energy: 1.3720520289962799
Energy: 1.398188166054705
Energy: 1.4468098908743723
Energy: 1.5234695566857541
Energy: 1.3991512860622597
Energy: 1.2896379732340368
Energy: 1.283937162508394
Energy: 1.3820038803405281
Energy: 1.4375991821261775
Energy: 1.4495071202083256
Energy: 1.4505391963270304
Energy: 1.4806195636383552
Energy: 1.918452096739599
Energy: 1.5577095528882978
Energy: 1.4499026688153431
Energy: 1.4878645386106106
Energy: 1.440753407470536
Energy: 1.4753652932434298
Energy: 1.2597591621632336
Energy: 1.4856715476881721
Energy: 1.5352604266440897
Energy: 1.5059200053268376
Energy: 1.4479052037112503
Energy: 1.2833798918391137
Energy: 1.2700845830434377
Energy: 1.2933109122222304
Energy: 1.566284519740289
Energy: 1.5619159424617761
Energy: 1.3001059442802325
Energy: 1.2969015429238233
Energy: 1.2749415712697363
Energy: 1.293682967817374
Energy: 1.472037384085317
Energy: 1.5609080953152508
Energy: 1.2961812816134393
Energy: 1.2774973366009879
Energy: 1.277154836976577
Energy: 1.2944190615432907
Energy: 1.3987883749661254
Energy: 1.6356866267361831
Energy: 1.7467923696627992
Energy: 1.281125615306206
Energy: 1.2783768286158508
Energy: 1.2928990790265054
Energy: 1.7486216309633766
Energy: 1.4874052381143135
Energy: 1.566893920482594
Energy: 1.3992015209591313
Energy: 1.371516805347629
Energy: 1.3989841583649802
Energy: 1.5636358421848784
Energy: 1.4469137909541645
Energy: 1.4503196880002331
Energy: 1.741439851631752
Energy: 1.6186223770848798
Energy: 1.5591801309239814
Energy: 1.4502838245005607
Energy: 1.7570720937111637
Energy: 1.4804688198910445
Energy: 1.281941099754117
Energy: 1.2849393665629418
Energy: 1.4005015060751012
Energy: 1.2842480192074133
Energy: 1.7597037824532276
Energy: 1.4029243661887119
Energy: 1.3736355390017778
Energy: 1.37316521613148
Energy: 1.3921512537343308
Energy: 1.969777025142947
Energy: 1.3737097590813154
Energy: 1.3964546320122897
Energy: 1.4467390322520999
Energy: 1.3918040481032348
Energy: 1.4297949496848517
Energy: 1.42957015638977
Energy: 1.3867772314384732
Energy: 1.4547888776404794
Energy: 1.3977781241520792
Energy: 1.3895758555552462
Energy: 1.3227452495336907
Energy: 1.4452579615556977
Energy: 1.3849291166697375
Energy: 1.4317005587075962
Energy: 1.3197645407042093
Energy: 1.425720184421956
Energy: 1.4336129207381272
Energy: 1.4102372363716813
Energy: 1.3718321886199163
Energy: 1.3917323208092622
Energy: 1.3978577093222093
Energy: 1.5576484622403917
Energy: 1.3978608808752342
Energy: 1.3754469893379735
Energy: 1.2690279189460654
Energy: 1.4464263830751063
Energy: 1.4383247738835339
Energy: 1.650813361145749
Energy: 1.3985925525942573
Energy: 1.28590015143439
Energy: 1.7020850539094776
Energy: 1.6179477478022282
Energy: 1.4492606967213923
Energy: 1.5676839856780964
Energy: 1.4350849584978203
Energy: 1.480680663238545

minimum gb energy = 1.2597591621632336 eV
minimum distance =  2.19209231856689 Angstroms
sigma value = 57


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

Energy: 2.2096009840169892
Energy: 1.8900310867960388
Energy: 1.4682928819423944
Energy: 1.4569408370580443
Energy: 1.5544363039451727
Energy: 1.940516751516635
Energy: 1.3198602203415488
Energy: 1.3797060036974986
Energy: 1.38157607680166
Energy: 1.321446555216095
Energy: 1.3947143039090655
Energy: 1.3790668197314786
Energy: 1.318548787272267
Energy: 1.3404915441295127
Energy: 1.361694144377148
Energy: 1.3402992231480602
Energy: 1.3617896942046022
Energy: 1.3470782486078472
Energy: 1.3149664337174163
Energy: 1.3631577006624855
Energy: 1.5085959211471243
Energy: 1.3153312933629857
Energy: 1.3597905657335487
Energy: 1.336362550135929
Energy: 1.3152179291073374
Energy: 1.3494580767704103
Energy: 1.3761622910918045
Energy: 1.3201099889959165
Energy: 1.3719572100307889
Energy: 1.3383313219315782
Energy: 1.3147272766109506
Energy: 1.3798995433055081
Energy: 1.6511545509286416
Energy: 1.3208231127657415
Energy: 1.6504940615199344
Energy: 1.3298140350389072
Energy: 1.388970218390932
Energy: 1.3920862913244965
Energy: 1.3402683041180636
Energy: 1.3146251665686262
Energy: 1.3836006420396412
Energy: 1.3609702906059327
Energy: 1.3892482215405433
Energy: 1.3600238494634267
Energy: 1.3157175996932
Energy: 1.3221548270511208
Energy: 1.3504200924053658
Energy: 1.3610828656663023
Energy: 1.31420193191375
Energy: 1.3409107256707093
Energy: 1.6881553815479056
Energy: 1.3028644681644368
Energy: 1.643275619533483
Energy: 1.3153637967139553
Energy: 1.3135981757122495
Energy: 1.3216960955948587
Energy: 1.3417516368309945
Energy: 1.307603254028312
Energy: 1.3901066854061643
Energy: 1.3314431405830534
Energy: 1.3019626749164117
Energy: 1.3597758895704597
Energy: 1.3772591760476673
Energy: 1.3270367922287125
Energy: 1.3713995063435973
Energy: 1.360356998829267
Energy: 1.3051788165318428
Energy: 1.3952178025438768
Energy: 1.342904283268925
Energy: 1.3188754159027791
Energy: 1.37013592307962
Energy: 1.3898600557033713
Energy: 1.3152158485936989
Energy: 1.5058273151797916
Energy: 1.3533307566021076
Energy: 1.332623572099084
Energy: 1.3561408964385915
Energy: 1.3287262627531937
Energy: 1.320390884256249
Energy: 1.362438924898304
Energy: 1.3197825852139902
Energy: 1.3157535748921656
Energy: 1.3741190368446026
Energy: 1.642295709629789
Energy: 1.319922791341281
Energy: 1.3979318421763651
Energy: 1.3724118424246667
Energy: 1.319950979491433
Energy: 1.3744332553060388
Energy: 1.3179675964332394
Energy: 1.534196525494214
Energy: 1.3185798085103442
Energy: 1.3425569603675556
Energy: 1.6430371073936938
Energy: 1.345157541694497
Energy: 1.5589544410558955
Energy: 1.301864227161127
Energy: 1.3800062827701285
Energy: 1.3768271488333035
Energy: 1.3148924446116368
Energy: 1.3943941906046684
Energy: 1.3227764206658397

minimum gb energy = 1.301864227161127 eV
minimum distance =  2.23382517064966 Angstroms
sigma value = 9


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

Energy: 2.38922759483759
Energy: 1.4987928091848117
Energy: 1.4760264035551354
Energy: 1.473834950250491
Energy: 1.4755856248936372
Energy: 2.0360749081140637
Energy: 1.3529028802902006
Energy: 1.4587428261642674
Energy: 1.417794229682407
Energy: 1.3863486447997768
Energy: 1.536845147137479
Energy: 1.4304875542231767
Energy: 1.3527042021312605
Energy: 1.3587186560754445
Energy: 1.445801622512777
Energy: 1.4441554434567134
Energy: 1.4690283824982244
Energy: 1.3546173124415735
Energy: 1.374558706078947
Energy: 1.4513535958964126
Energy: 1.381146004610131
Energy: 1.3572758918123673
Energy: 1.4666717899679305
Energy: 1.3817780559956268
Energy: 1.377129702122113
Energy: 1.3979129730304496
Energy: 1.3844669158186451
Energy: 1.3766388809829435
Energy: 1.3827077194737294
Energy: 1.398488440674113
Energy: 1.3574049579897078
Energy: 1.38475226795599
Energy: 1.398154026849507
Energy: 1.3807149771287888
Energy: 1.4145554572840138
Energy: 1.379349729117391
Energy: 1.3846122161311123
Energy: 1.46537995791617
Energy: 1.3777128335310853
Energy: 1.3888794707487764
Energy: 1.3799864224945826
Energy: 1.4260045959380907
Energy: 1.3911295702434083
Energy: 1.513653666656334
Energy: 1.3591272500098452
Energy: 1.352227367698593
Energy: 1.3573557245944783
Energy: 1.5124543026142518
Energy: 1.3591825974250369
Energy: 1.378393509017768
Energy: 1.5161993440551296
Energy: 1.3826863748404348
Energy: 1.5104686816460957
Energy: 1.3965225569720936
Energy: 1.3507354515371983
Energy: 1.3605307909406252
Energy: 1.5147930195336141
Energy: 1.3833297875363595
Energy: 1.5113195210685613
Energy: 1.432052429837146
Energy: 1.3443555408016634
Energy: 1.5141260020840546
Energy: 1.3679941170365644
Energy: 1.3543319647074215
Energy: 1.35916790135974
Energy: 1.5471349864659403
Energy: 1.344856388337879
Energy: 1.5345691079233557
Energy: 1.3809658598744008
Energy: 1.3872381618142078
Energy: 1.4076930578719975
Energy: 1.443241313551991
Energy: 1.3515044360377566
Energy: 1.3562524630885888
Energy: 1.521208444569274
Energy: 1.3976964173009274
Energy: 1.4573291811181437
Energy: 1.3583471120674564
Energy: 1.3891049028927374
Energy: 1.3773186702025013
Energy: 1.4655507143877815
Energy: 1.3962048459772471
Energy: 1.4725582016411511
Energy: 1.3803403229766262
Energy: 1.3743672561001927
Energy: 1.400679754112529
Energy: 1.4777100995417436
Energy: 1.3569453373429952
Energy: 1.383522563123501
Energy: 1.4001189041604176
Energy: 1.374668739092413
Energy: 1.384965984144886
Energy: 1.3966176361543492
Energy: 1.4009312249252388
Energy: 1.4095073029545737
Energy: 1.3834424099259865
Energy: 1.3583831696764141
Energy: 1.4254855009856164
Energy: 1.379026837491712
Energy: 1.3761605314328058
Energy: 1.4586383030637924
Energy: 1.4235266611921953
Energy: 1.389404010006114
Energy: 1.470170641713199
Energy: 1.3585834213074512
Energy: 1.3552684701749722
Energy: 1.357679033318976
Energy: 1.7455990598627003
Energy: 1.3946813655608297
Energy: 1.3815840535734196
Energy: 1.493167102352899
Energy: 1.3575196290249922
Energy: 1.529347877971574
Energy: 1.3791522170850945
Energy: 1.3590115611353275
Energy: 1.357114369379998
Energy: 1.4216919896442806
Energy: 1.728323939492079
Energy: 1.3684683601672996
Energy: 1.357884889704646
Energy: 1.3462874501498
Energy: 1.5306289998093745
Energy: 1.3815314296608927
Energy: 1.3518399585065144
Energy: 1.4779997915530678
Energy: 1.379601265452647

minimum gb energy = 1.3443555408016634 eV
minimum distance =  2.23529040749883 Angstroms
sigma value = 27


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

Energy: 1.6300900757242367
Energy: 1.485794910193418
Energy: 1.487821623321253
Energy: 1.4879731539793617
Energy: 1.4881394111469468
Energy: 2.0278574280800705
Energy: 1.3672220980774181
Energy: 1.524905035237541
Energy: 1.3921035322843258
Energy: 1.3808285230293225
Energy: 1.6014330447997833
Energy: 1.4401671057656433
Energy: 1.3679147595897785
Energy: 1.381266595781092
Energy: 1.5949701108322993
Energy: 1.5874399784513955
Energy: 1.479689657893045
Energy: 1.378630842939811
Energy: 1.3696786311144515
Energy: 1.5189556525225154
Energy: 1.5247097499366298
Energy: 1.3814649296334742
Energy: 1.5128151604678244
Energy: 1.429252181067763
Energy: 1.3811539165602977
Energy: 1.4799904935526547
Energy: 1.3960691170683661
Energy: 1.3951505785000557
Energy: 1.3969747733268156
Energy: 1.4731579995795465
Energy: 1.360705302637041
Energy: 1.4974348790002665
Energy: 1.4177521078573838
Energy: 1.3888482427378077
Energy: 1.4197756516143099
Energy: 1.3699256675147344
Energy: 1.3732379316918135
Energy: 1.446296390747103
Energy: 1.4017595169031996
Energy: 1.4037512110012014
Energy: 1.4013976625271047
Energy: 1.4774853897731084
Energy: 1.3741890325959447
Energy: 1.4736164966187353
Energy: 1.4827777930675845
Energy: 1.3777852909659225
Energy: 1.4217361360668284
Energy: 1.4763780502624235
Energy: 1.3578246924982913
Energy: 1.3747748413201997
Energy: 1.5306147020149408
Energy: 1.3779052410045647
Energy: 1.4949832030742611
Energy: 1.3756129892124798
Energy: 1.3452650826110284
Energy: 1.431375185260076
Energy: 1.5384779077704123
Energy: 1.3781964983582207
Energy: 1.536681074395525
Energy: 1.4317323386057992
Energy: 1.369208997483068
Energy: 1.512295955849687
Energy: 1.423291765535844
Energy: 1.4059068268499337
Energy: 1.365546231975792
Energy: 1.5121748689220407
Energy: 1.3990346147911883
Energy: 1.5189736379049463
Energy: 1.3565399054816083
Energy: 1.3516854823634008
Energy: 1.4696702120721936
Energy: 1.5126109329429547
Energy: 1.3456491174399954
Energy: 1.3484990036845967
Energy: 1.5128596271166443
Energy: 1.3283695673698046
Energy: 1.3304744046075163
Energy: 1.348924844545229
Energy: 1.3495470990488811
Energy: 1.3316932918224804
Energy: 1.5248924185441441
Energy: 1.3555657744030332
Energy: 1.5167755380541466
Energy: 1.3687838341065084
Energy: 1.3584329049597783
Energy: 1.5117454019065324
Energy: 1.367253274496775
Energy: 1.3491526645783969
Energy: 1.3670544203083057
Energy: 1.5948264621600594
Energy: 1.3590428550632654
Energy: 1.454240511756223
Energy: 1.3690575266553557
Energy: 1.4522435417656905
Energy: 1.4490993980695188
Energy: 1.4030710417898913
Energy: 1.346024134901118
Energy: 1.4425182573607178
Energy: 1.4764808182476072
Energy: 1.406748806687438
Energy: 1.3610779882564996
Energy: 1.4413705852694885
Energy: 1.383080276982706
Energy: 1.3903464471932507
Energy: 1.5507692661299033
Energy: 1.3796814095118746
Energy: 1.4785990607467447
Energy: 1.3914362370588806
Energy: 1.3840961224441912
Energy: 1.4009478479108015
Energy: 1.4995147813474676
Energy: 1.376438522742929
Energy: 1.474022049475585
Energy: 1.4023356873576975
Energy: 1.3833768604480894
Energy: 1.4357466182383511
Energy: 1.473702232674756
Energy: 1.4761651668076041
Energy: 1.476625576704024
Energy: 1.4790204645451388
Energy: 1.374801577651238
Energy: 1.514019099852368
Energy: 1.384035348264125
Energy: 1.3800061219590785
Energy: 1.5110625774278437
Energy: 1.513727907027566
Energy: 1.3683112859738056
Energy: 1.5391666934145618
Energy: 1.3839440648746422
Energy: 1.3748829219958734
Energy: 1.48645079842715
Energy: 1.7996365676887582
Energy: 1.3753159631525314
Energy: 1.3762676707818882
Energy: 1.6034167760811229
Energy: 1.3697762288626094
Energy: 1.6125698944355027
Energy: 1.3779307199729063
Energy: 1.3699088850399632
Energy: 1.4078639703404672
Energy: 1.5697316703202298
Energy: 1.3683573421882917
Energy: 1.4113084355250662
Energy: 1.3705090754995317
Energy: 1.3669211818028912
Energy: 1.5996637431971743
Energy: 1.5038894077024656
Energy: 1.4616669387908912
Energy: 1.3929539226884142
Energy: 1.6016351507936795

minimum gb energy = 1.3283695673698046 eV
minimum distance =  2.2162830105046 Angstroms
sigma value = 19


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

Energy: 1.639377973378426
Energy: 1.4354760558595678
Energy: 1.4372056120633665
Energy: 1.4354714207087151
Energy: 1.4356884278394262
Energy: 1.3268864368223638
Energy: 1.3079762498661907
Energy: 1.4703806771495966
Energy: 1.356916793856662
Energy: 1.3434233856030078
Energy: 1.62757498545152
Energy: 1.3984317618328328
Energy: 1.3016140639336624
Energy: 1.3517231177382845
Energy: 1.5380752044700021
Energy: 1.5906319201398922
Energy: 1.3514197941500645
Energy: 1.3504294323435788
Energy: 1.3049837835978952
Energy: 1.5331445723262909
Energy: 1.4821355445291364
Energy: 1.343430937717393
Energy: 1.480930236717175
Energy: 1.354116104312333
Energy: 1.281919818858034
Energy: 1.4825596188500187
Energy: 1.358553224472388
Energy: 1.3419932602734317
Energy: 1.3598249542052216
Energy: 1.4817189402644582
Energy: 1.3040283001833193
Energy: 1.405580042215445
Energy: 1.3607428123951302
Energy: 1.3092672770769287
Energy: 1.3595158309615603
Energy: 1.3073915130000342
Energy: 1.3123742231686748
Energy: 1.3713491389448156
Energy: 1.3675507696593243
Energy: 1.367067782946198
Energy: 1.3805361252374544
Energy: 1.3721518710129534
Energy: 1.3125002960715637
Energy: 1.3719376590475283
Energy: 1.4987219210705947
Energy: 1.3044948963580028
Energy: 1.3725156911677243
Energy: 1.3724569072616335
Energy: 1.329160779054539
Energy: 1.3707173233220575
Energy: 1.4245672223960255
Energy: 1.3154209413485836
Energy: 1.3706639504928655
Energy: 1.370454009847512
Energy: 1.3130341199278996
Energy: 1.4361151982839215
Energy: 1.4899423578227242
Energy: 1.3027544415995311
Energy: 1.4890771045357851
Energy: 1.3756698496339645
Energy: 1.2891590920536526
Energy: 1.3769438361151176
Energy: 1.3203464588130156
Energy: 1.31958733637828
Energy: 1.3208056436939264
Energy: 1.5721877564041407
Energy: 1.3128594737257853
Energy: 1.5644156685984805
Energy: 1.4057241226672255
Energy: 1.3066018227176945
Energy: 1.3767902692505176
Energy: 1.565093115367314
Energy: 1.3133854601740238
Energy: 1.356705367666979
Energy: 1.3169290223908239
Energy: 1.3398232201814584
Energy: 1.4008034179810926
Energy: 1.3132361698906612
Energy: 1.2701971024829708
Energy: 1.53813431063479
Energy: 1.5404166820757808
Energy: 1.304545411521685
Energy: 1.5444759819380423
Energy: 1.2712683253306238
Energy: 1.2864018177113143
Energy: 1.2946177127390837
Energy: 1.307786598841918
Energy: 1.3065241904080003
Energy: 1.306436713964512
Energy: 1.5407509100555206
Energy: 1.2709027835122304
Energy: 1.5439575792636842
Energy: 1.334775138231341
Energy: 1.3062348076573222
Energy: 1.2929258224780862
Energy: 1.5401474839202596
Energy: 1.2711113580301039
Energy: 1.317602080688094
Energy: 1.5982138054730584
Energy: 1.6640325547680992
Energy: 1.5501007221726795
Energy: 1.3442070625800497
Energy: 1.3065375867781392
Energy: 1.4303411835445756
Energy: 1.492716764872233
Energy: 1.3152622147449655
Energy: 1.4916741061536933
Energy: 1.3515041654082136
Energy: 1.2813668172569
Energy: 1.4746769274885974
Energy: 1.4241357075509808
Energy: 1.307238059849238
Energy: 1.4321045357366946
Energy: 1.4756529782668153
Energy: 1.305679601990654
Energy: 1.5055855639555906
Energy: 1.3328082673384867
Energy: 1.3328635078673854
Energy: 1.331701703140789
Energy: 1.3966835473527672
Energy: 1.3055290458885922
Energy: 1.4980351160471317
Energy: 1.376778930064154
Energy: 1.379366320188338
Energy: 1.3753706629693416
Energy: 1.3778936580720489
Energy: 1.3057488246591702
Energy: 1.3780361379859312
Energy: 1.4529738324253276
Energy: 1.3035509849888856
Energy: 1.4475821828742375
Energy: 1.3789035892208088
Energy: 1.305540767772431
Energy: 1.363154183616636
Energy: 1.4823405845960849
Energy: 1.3033707945231268
Energy: 1.4066185936971938
Energy: 1.3638604600676691
Energy: 1.3143304371773512
Energy: 1.3632901346475872
Energy: 1.4813908532557427
Energy: 1.3038390109139997
Energy: 1.4821860784433394
Energy: 1.3632189341703613
Energy: 1.314410521127553
Energy: 1.4798280644962212
Energy: 1.350919709646097
Energy: 1.303808541260402
Energy: 1.348128716728039
Energy: 1.480082451804999
Energy: 1.2892052237558929
Energy: 1.462741335199945
Energy: 1.3486815572044604
Energy: 1.3005541161816163
Energy: 1.3488677964694602
Energy: 1.6360343534671549
Energy: 1.3443409181683807
Energy: 1.4517650456393596
Energy: 1.6385367482192297
Energy: 1.2996771720049813
Energy: 1.6333323247519071
Energy: 1.3147962264282822
Energy: 1.301805125376242
Energy: 1.340993532548267
Energy: 1.4060200189283454
Energy: 1.2975788915333082
Energy: 1.3650726314165265
Energy: 1.3025629822015006
Energy: 1.3385712076389538
Energy: 1.6370734958939128
Energy: 1.4576075636355101
Energy: 1.4070903792115343
Energy: 1.4211279125167648
Energy: 1.6260298091811412

minimum gb energy = 1.2701971024829708 eV
minimum distance =  2.21816191341265 Angstroms
sigma value = 101


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

Energy: 2.047423675698701
Energy: 1.3388903183016336
Energy: 1.342780120731512
Energy: 1.3407089019711758
Energy: 1.3419427203602736
Energy: 1.5534297901812075
Energy: 1.2279362225741433
Energy: 1.437618690628311
Energy: 1.316370863344724
Energy: 1.2530261517046
Energy: 1.6229691018552022
Energy: 1.3187819961226168
Energy: 1.2461009132759515
Energy: 1.3151736531510476
Energy: 1.56138970052386
Energy: 1.5563745177186583
Energy: 1.3090567521417902
Energy: 1.249252255281345
Energy: 1.2470882056991064
Energy: 1.5616552099078262
Energy: 1.3939622696927827
Energy: 1.2308480526466457
Energy: 1.4774489654956378
Energy: 1.3122465545857978
Energy: 1.2208698819598822
Energy: 1.3988719388336
Energy: 1.321427597592697
Energy: 1.2307695103537213
Energy: 1.323654113022419
Energy: 1.4010575743671707
Energy: 1.2466468656228098
Energy: 1.3539997007995637
Energy: 1.3237470202019364
Energy: 1.2248868560011203
Energy: 1.3224822358550312
Energy: 1.247934421452911
Energy: 1.2466192740808129
Energy: 1.3011777624702938
Energy: 1.354529101429022
Energy: 1.3587948267729781
Energy: 1.3694476360183387
Energy: 1.3001064677790906
Energy: 1.234842690168858
Energy: 1.3024541673327248
Energy: 1.225353577399244
Energy: 1.225264881552871
Energy: 1.3018506358269093
Energy: 1.3008173328973809
Energy: 1.2650986981349408
Energy: 1.3022405153797127
Energy: 1.3537531058427172
Energy: 1.2516858316961357
Energy: 1.3210330920511828
Energy: 1.300627095060956
Energy: 1.2465611765001985
Energy: 1.418892292741334
Energy: 1.3549599556817826
Energy: 1.225854458107853
Energy: 1.354692594787879
Energy: 1.332949062114663
Energy: 1.245814255449178
Energy: 1.3188242271828758
Energy: 1.2619238587625765
Energy: 1.260913580734061
Energy: 1.322290771533212
Energy: 1.4811663317060881
Energy: 1.246107628344364
Energy: 1.4789317220757408
Energy: 1.3861872612590698
Energy: 1.2589714328763517
Energy: 1.319350449977532
Energy: 1.4772290770638146
Energy: 1.2469401393938455
Energy: 1.3081708662625604
Energy: 1.3074198548297917
Energy: 1.2423489652748418
Energy: 1.3077800233717995
Energy: 1.2469059260533886
Energy: 1.2274082412639684
Energy: 1.386608200847253
Energy: 1.6222585715580855
Energy: 1.2426175814853213
Energy: 1.6288116052256876
Energy: 1.3870735882005736
Energy: 1.2563351850382507
Energy: 1.315959896647273
Energy: 1.253584029813566
Energy: 1.2517815408398345
Energy: 1.2266718603359015
Energy: 1.4310190217742853
Energy: 1.255581048382205
Energy: 1.6175628464199174
Energy: 1.3870201315619375
Energy: 1.2280587655300859
Energy: 1.4165446343038863
Energy: 1.3181135186663655
Energy: 1.3168185414348001
Energy: 1.2300543530404688
Energy: 1.2648929892361902
Energy: 1.5550568946124455
Energy: 1.3074272882809714
Energy: 1.3178743189814441
Energy: 1.2514356877262656
Energy: 1.318033764033753
Energy: 1.6203475717880906
Energy: 1.2212735745498016
Energy: 1.6278057357255737
Energy: 1.3172301240081787
Energy: 1.2637085744542185
Energy: 1.5149075452926204
Energy: 1.292440626069508
Energy: 1.2283793007015065
Energy: 1.3082062811514434
Energy: 1.5641441820024888
Energy: 1.262475873840454
Energy: 1.534061368585403
Energy: 1.3148318275562667
Energy: 1.2462323212248831
Energy: 1.3069357150349246
Energy: 1.3938520065329076
Energy: 1.223520895063466
Energy: 1.3876116137184895
Energy: 1.4780885435262763
Energy: 1.3910742294893372
Energy: 1.4648757893560413
Energy: 1.3850113471812295
Energy: 1.2254364752993328
Energy: 1.3233534795579676
Energy: 1.3802333718913726
Energy: 1.2471646068791056
Energy: 1.3241405656828897
Energy: 1.3199905445118016
Energy: 1.2518103774486848
Energy: 1.3535353761393991
Energy: 1.3646680701945961
Energy: 1.2347241186716438
Energy: 1.364961801835029
Energy: 1.3576837519142875
Energy: 1.2262048513094008
Energy: 1.321540746252865
Energy: 1.300286942253772
Energy: 1.2484861870663382
Energy: 1.3017980048703783
Energy: 1.3410379277150386
Energy: 1.2244528536635844
Energy: 1.3213639679559606
Energy: 1.3004833039279309
Energy: 1.3029360362516194
Energy: 1.300511457252627
Energy: 1.3221734158584348
Energy: 1.250891604515291
Energy: 1.353993520124145
Energy: 1.4175739195246422
Energy: 1.2477263723879606
Energy: 1.425796206493306
Energy: 1.3590268682577349
Energy: 1.225330921429029
Energy: 1.3219663040797875
Energy: 1.3227517435705969
Energy: 1.2462178014466556
Energy: 1.390877789002356
Energy: 1.2604607405572514
Energy: 1.2589186455396166
Energy: 1.3197432515732856
Energy: 1.486140415656943
Energy: 1.2463035560440996
Energy: 1.475467566858795
Energy: 1.385765559813362
Energy: 1.2425152576181748
Energy: 1.53530236435666
Energy: 1.3160370964918235
Energy: 1.2482314819135654
Energy: 1.308050483953168
Energy: 1.5342060212142725
Energy: 1.2427879010788125
Energy: 1.3122875736964557
Energy: 1.228409903290955
Energy: 1.2929513717629653
Energy: 1.2925841948838235
Energy: 1.629279660173254
Energy: 1.250885487071542
Energy: 1.225504129099575
Energy: 1.4398301977501349
Energy: 1.2556238027131077
Energy: 1.317113050156386
Energy: 1.2548174578663933
Energy: 1.2286851130085006
Energy: 1.3885057363750575
Energy: 1.6277225356997707
Energy: 1.2555692661746722
Energy: 1.3169788787202181
Energy: 1.2305509226723599
Energy: 1.2620698308359923
Energy: 1.4077599541796046
Energy: 1.2926787748278292
Energy: 1.3175640857353463
Energy: 1.2928705132534544
Energy: 1.5602648211967312

minimum gb energy = 1.2208698819598822 eV
minimum distance =  2.21992419261214 Angstroms
sigma value = 33


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

Energy: 0.013553604468104139
Energy: 0.09369434057193188
Energy: 0.09259610079758666
Energy: 0.0890248770662983
Energy: 0.09037050505152135
Energy: 0.014131347949904493
Energy: 0.10309808870028579
Energy: 0.10370441927993417
Energy: 0.10396135603726553
Energy: 0.10448623401620398
Energy: 0.10321588448773394
Energy: 0.10363174323014122
Energy: 0.8636815538226952
Energy: 0.09195075790803668
Energy: 0.01424914746746747
Energy: 0.015666180285949138
Energy: 0.09129586097657605
Energy: 0.08955560160888666
Energy: 0.10309808869959444
Energy: 0.10370441927924279
Energy: 0.10396135603726553
Energy: 0.10448623401620398
Energy: 0.10321588448842532
Energy: 0.10363174323014122

minimum gb energy = 0.013553604468104139 eV
minimum distance =  2.44525666868461 Angstroms
sigma value = 1