Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=2.855312466621399
cohesive_energy=4.013297947344727
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -8.800355706403499e-17, -1.66046381994492e-16, -3.0192698232403196e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012405871635046663
Energy: 0.012758262994778122
Energy: 0.21417801966927416
Energy: 0.21425543833545158
Energy: 0.21551413252770207
Energy: 0.012483782599873183
Energy: 0.012758262994275437
Energy: 0.9399718103006683
Energy: 0.9405676818963584
Energy: 0.21418449512811225
Energy: 0.9400771153960192
Energy: 0.21419348611309633
Energy: 0.2141767450240109
Energy: 0.9405676818944034
Energy: 0.9404745587338803
Energy: 0.013002967115221876
Energy: 0.2142177585342116
Energy: 0.9405797257300685
Energy: 0.21425543833494887
Energy: 0.2141844922142374
Energy: 0.013002967114719191
Energy: 0.012542995815435571
Energy: 0.21449783513399415
Energy: 0.21428649711397232
Energy: 0.21551413252820475
Energy: 0.940077115397974
Energy: 0.21421775853518904
Energy: 0.2144978351349716
Energy: 0.9400866673187349
Energy: 0.21422538593248247
Energy: 0.012483782599873183
Energy: 0.21419348611703407
Energy: 0.9405797257295938
Energy: 0.2142864967872544
Energy: 0.21422538606510777
Energy: 0.012542951440528109

minimum gb energy = 0.012405871635046663 eV
minimum distance =  2.47160474854207 Angstroms
sigma value = 1


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

Energy: 1.8327259069580182
Energy: 1.2870480661453716
Energy: 1.3349959797844726
Energy: 1.2410485621285707
Energy: 1.248581310169005
Energy: 1.275028708881847
Energy: 1.1315684382912212
Energy: 1.3278700170832896
Energy: 1.2124491998668032
Energy: 1.2144138236075261
Energy: 1.2115794236508017
Energy: 1.2136795876603175
Energy: 1.1459484911168263
Energy: 1.209005540764218
Energy: 1.208488344811433
Energy: 1.2760049405263587
Energy: 1.2067393985536192
Energy: 1.222953423027959
Energy: 1.208286700921369
Energy: 1.2104896548336743
Energy: 1.3007909329464657
Energy: 1.4216391009510285
Energy: 1.206248437517657
Energy: 1.2151955563503194
Energy: 1.2509775419478246
Energy: 1.2360937453050067
Energy: 1.3199995449884985
Energy: 1.2172010960669146
Energy: 1.3113668381417776
Energy: 1.2889878422934267
Energy: 1.2816963075279542
Energy: 1.3022315663998867
Energy: 1.3816286757109049
Energy: 1.2159077765465074
Energy: 1.2995623059710122
Energy: 1.2992180124916537
Energy: 1.2879885434089775
Energy: 1.30109486211241
Energy: 1.2990622794275726
Energy: 1.331550354265071
Energy: 1.3001557406138156
Energy: 1.3015150393643742
Energy: 1.1662065424138213
Energy: 1.1659587424895137
Energy: 1.2147147610375333
Energy: 1.1422287176375625
Energy: 1.3807386880250543
Energy: 1.1680894434800824
Energy: 1.1272217524501655
Energy: 1.3023149044997935
Energy: 1.3016217551620635
Energy: 1.2140758135524918
Energy: 1.3000746640546181
Energy: 1.3048470782526975
Energy: 1.1319723232035823
Energy: 1.3042498210514313
Energy: 1.3533354624213139
Energy: 1.2159497205085648
Energy: 1.3000683683612286
Energy: 1.3139099884777492
Energy: 1.2518573078784576
Energy: 1.1688856105533758
Energy: 1.2146709882077737
Energy: 1.2364937665869165
Energy: 1.2196626625426759
Energy: 1.1662787581909317
Energy: 1.2073765510233774
Energy: 1.2262309724313054
Energy: 1.2793388914601083
Energy: 1.127221695924708
Energy: 1.2120057256565766
Energy: 1.2089601092141522
Energy: 1.2134452722774691
Energy: 1.210661183855681
Energy: 1.265433916735663
Energy: 1.3385986186403966
Energy: 1.223632269157192
Energy: 1.2810432375816443
Energy: 1.2145304285870968
Energy: 1.3175952451317492
Energy: 1.2186814173917535
Energy: 1.1436617719166025
Energy: 1.215193368631958
Energy: 1.3131838727579217
Energy: 1.140400128481575
Energy: 1.2066696400513413
Energy: 1.2102423742120836
Energy: 1.215656138236259
Energy: 1.2075785950101123
Energy: 1.2993101419962771
Energy: 1.141260447114749
Energy: 1.2196438094745412
Energy: 1.2133846822211722
Energy: 1.209205483745793
Energy: 1.2072598268522816
Energy: 1.3138095189718029
Energy: 1.2155954343791053
Energy: 1.2171535430809393
Energy: 1.2590289648453472
Energy: 1.2575222218996611
Energy: 1.3042823459335424
Energy: 1.2196552554712585
Energy: 1.2125737010993707
Energy: 1.3018768675817793
Energy: 1.304077059860876
Energy: 1.3014024615030486
Energy: 1.3033857409825282
Energy: 1.3844360784556076
Energy: 1.2161303541408839
Energy: 1.3041406745139128
Energy: 1.3715063968215655
Energy: 1.261545075219827
Energy: 1.3061737804577593
Energy: 1.3349755839933064
Energy: 1.2354663524178902
Energy: 1.2995822661440766
Energy: 1.2569425641803451
Energy: 1.2537704445427953
Energy: 1.2999694233320478
Energy: 1.379722428006594
Energy: 1.213166877568148
Energy: 1.2993679849174637
Energy: 1.3154388678246685
Energy: 1.3155317899511125
Energy: 1.30152722764168
Energy: 1.3005567660101758
Energy: 1.1437690039739017
Energy: 1.2987631157923916
Energy: 1.299629114562582
Energy: 1.1303248590542265
Energy: 1.3051528184706827
Energy: 1.221208936445345
Energy: 1.1283101417043586
Energy: 1.3317538526893715
Energy: 1.2988410084239912
Energy: 1.2111288784657066
Energy: 1.210544173994719
Energy: 1.3449492361697704

minimum gb energy = 1.127221695924708 eV
minimum distance =  2.20228811703039 Angstroms
sigma value = 33


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

Energy: 2.3447038330289494
Energy: 1.2796193926493136
Energy: 1.2203147231963873
Energy: 1.262174717647363
Energy: 1.2801790221074778
Energy: 1.3691770354693364
Energy: 1.4617081859465129
Energy: 1.509991977850675
Energy: 1.2349433379557586
Energy: 1.2414523844120113
Energy: 1.2406104780880802
Energy: 1.3339485879669577
Energy: 1.384166479950888
Energy: 1.311528036900042
Energy: 1.307539341532857
Energy: 1.2591732406985787
Energy: 1.3112891391875447
Energy: 1.3964799109487016
Energy: 1.3198138307620708
Energy: 1.3170130177401214
Energy: 1.312296565417486
Energy: 1.465659960852961
Energy: 1.3103130296296088
Energy: 1.3125711183531261
Energy: 1.3669458396455698
Energy: 1.3089307345928374
Energy: 1.347929904134885
Energy: 1.4304198656914346
Energy: 1.522502078989216
Energy: 1.360604383217543
Energy: 1.2393978650099504
Energy: 1.3808050811998658
Energy: 1.376957924155936
Energy: 1.240887971666267
Energy: 1.3775511096105013
Energy: 1.3797569814571298
Energy: 1.240271569370213
Energy: 1.3795776471267016
Energy: 1.3777708608244938
Energy: 1.5032307757835175
Energy: 1.3783336548182168
Energy: 1.3787465480279462
Energy: 1.2475449068048945
Energy: 1.2365365420868064
Energy: 1.264786362782206
Energy: 1.249476975175582
Energy: 1.3763410599391495
Energy: 1.2309338792870408
Energy: 1.366036837043883
Energy: 1.3124434162961829
Energy: 1.3141994247787112
Energy: 1.3216021600744987
Energy: 1.314037973421519
Energy: 1.4121194048532164
Energy: 1.1795737845623107
Energy: 1.3122039485146506
Energy: 1.346183564947114
Energy: 1.3456339718108454
Energy: 1.3089905105620467
Energy: 1.351055576067761
Energy: 1.332992829621733
Energy: 1.2517723649775838
Energy: 1.3091260000691824
Energy: 1.330455018726997
Energy: 1.3167749940364901
Energy: 1.248766239314501
Energy: 1.241794457077914
Energy: 1.2284069512958258
Energy: 1.2286329670529148
Energy: 1.2594477593013647
Energy: 1.238002562266779
Energy: 1.2284374788324188
Energy: 1.2161137176568722
Energy: 1.233380411034334
Energy: 1.242558095912409
Energy: 1.210819872235971
Energy: 1.2267601153530263
Energy: 1.2314198220126402
Energy: 1.212879387749982
Energy: 1.2988108244004526
Energy: 1.3200507773950108
Energy: 1.3330757262765385
Energy: 1.3206944984987168
Energy: 1.2137955029534258
Energy: 1.2396502345241964
Energy: 1.36155761712167
Energy: 1.4004662487116744
Energy: 1.395651397523024
Energy: 1.3637538253257724
Energy: 1.362088580732928
Energy: 1.2608868517619143
Energy: 1.3606572721312673
Energy: 1.3723189574817416
Energy: 1.457108730099996
Energy: 1.360354850554376
Energy: 1.434579260601959
Energy: 1.2962803947580204
Energy: 1.2126342369425733
Energy: 1.4628953400945235
Energy: 1.335661041293726
Energy: 1.4014039170289976
Energy: 1.299322891898584
Energy: 1.1796173896799378
Energy: 1.3598370492683691
Energy: 1.3606993681002806
Energy: 1.4566608554155032
Energy: 1.3599831341406856
Energy: 1.3766476356703383
Energy: 1.177881837090475
Energy: 1.3609985079556588
Energy: 1.360986948675767
Energy: 1.3807651489842392
Energy: 1.361518390900225
Energy: 1.360408965691116
Energy: 1.2179052610643135
Energy: 1.2188883633639156
Energy: 1.339562390984042
Energy: 1.3826405154299417
Energy: 1.5080392096001622
Energy: 1.2204666720978028
Energy: 1.2183369647114886
Energy: 1.2282764954265462
Energy: 1.2751084201301803
Energy: 1.523220212340473
Energy: 1.2433124642779065
Energy: 1.2166413740015147
Energy: 1.241142062564755
Energy: 1.243413925395237
Energy: 1.3737974097128571
Energy: 1.2816113982641506
Energy: 1.2281808743315026
Energy: 1.2742674552076385
Energy: 1.4296941307008213
Energy: 1.52252639672313
Energy: 1.3083565328848954
Energy: 1.3333672176654934
Energy: 1.3074745678527473
Energy: 1.3582497092716932
Energy: 1.2114703652936618
Energy: 1.3134380907005043
Energy: 1.3110123603288477
Energy: 1.3237005552020484
Energy: 1.3081345550723198
Energy: 1.366923866475741
Energy: 1.4301670695203361
Energy: 1.5226612180852206
Energy: 1.3115624370068126
Energy: 1.3226344943944126
Energy: 1.3174961906041576
Energy: 1.3580455788156147
Energy: 1.243755272553881
Energy: 1.3775841484579332
Energy: 1.3793539840913795
Energy: 1.2399920309582249
Energy: 1.3799072541514579
Energy: 1.264749188146789
Energy: 1.2973005317695778
Energy: 1.3781113960950453
Energy: 1.3786857675148547
Energy: 1.4535341354209514
Energy: 1.3796902666356705
Energy: 1.3776338298968185
Energy: 1.2394537125836496
Energy: 1.37931656354774
Energy: 1.2302752985535474
Energy: 1.2396680735247938
Energy: 1.378509101788191
Energy: 1.4154089596618038
Energy: 1.3275734783616318
Energy: 1.315782581334268
Energy: 1.4420371840476416
Energy: 1.3395383066080446
Energy: 1.3114651432469309
Energy: 1.4072235461012537
Energy: 1.344642866215725
Energy: 1.3181252548791138
Energy: 1.3470645369222014
Energy: 1.4262824382553343
Energy: 1.313136789903402
Energy: 1.426034959334823
Energy: 1.332789056599372
Energy: 1.321482036783943
Energy: 1.3657550762056616
Energy: 1.334198955408455
Energy: 1.3192860614018216
Energy: 1.3458534464098224
Energy: 1.451369592780966
Energy: 1.232481970588212
Energy: 1.2295784107103598
Energy: 1.243204484347163
Energy: 1.227856816075784
Energy: 1.573141235411
Energy: 1.3082724604926446
Energy: 1.238331614805337
Energy: 1.2278532138471736
Energy: 1.21620038477584
Energy: 1.2284089795561357
Energy: 1.3115492897471406
Energy: 1.3835552882721016
Energy: 1.3110983340452353
Energy: 1.2821301830734881
Energy: 1.2702909820238923
Energy: 1.2310314432673881
Energy: 1.328365548031387
Energy: 1.3470445369776902
Energy: 1.4002870668509473
Energy: 1.364614492405935
Energy: 1.2381960276783819
Energy: 1.3620021151925255
Energy: 1.4406303848539768
Energy: 1.3429524600736726
Energy: 1.362325242955664
Energy: 1.360540829693447
Energy: 1.2611365267894528
Energy: 1.3600119337037717
Energy: 1.372651725735035
Energy: 1.3333787592361097
Energy: 1.3500895934186607
Energy: 1.2121744884514667
Energy: 1.3922702603819017
Energy: 1.2998358542719
Energy: 1.3494662292026107
Energy: 1.3460187071562502
Energy: 1.3615763569544885
Energy: 1.3606482330773881
Energy: 1.1795555257140247
Energy: 1.362557898539935
Energy: 1.4314418033160885
Energy: 1.3491229438828405
Energy: 1.360166623856831
Energy: 1.3604256172851203
Energy: 1.310400102164979
Energy: 1.3652450801575529
Energy: 1.462645328101304
Energy: 1.3819501298356227
Energy: 1.3168643298266716
Energy: 1.2185717917879282
Energy: 1.2201205324007234
Energy: 1.2187328901727907
Energy: 1.313176944999393
Energy: 1.1763109101730447
Energy: 1.2332975397966464
Energy: 1.2346118845304226
Energy: 1.216656287901889
Energy: 1.2280390031565085
Energy: 1.3524904789460455

minimum gb energy = 1.1763109101730447 eV
minimum distance =  2.20065442476411 Angstroms
sigma value = 51


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

Energy: 2.184517134785299
Energy: 1.374765853166316
Energy: 1.4342602595776242
Energy: 1.3322077687104366
Energy: 1.2944664377380335
Energy: 1.3746875219865156
Energy: 1.1994432866918392
Energy: 1.3978249312487474
Energy: 1.2896378790425194
Energy: 1.380723541726829
Energy: 1.2947070835573105
Energy: 1.294804939127125
Energy: 1.3519266494741478
Energy: 1.287980347701452
Energy: 1.2893301822184562
Energy: 1.3273186160239174
Energy: 1.2979809877135993
Energy: 1.292972902195088
Energy: 1.3278364794745696
Energy: 1.2892840302149267
Energy: 1.2887730466571605
Energy: 1.3258546364340957
Energy: 1.2869664970899028
Energy: 1.2907162576233935
Energy: 1.3304977098329929
Energy: 1.2897815835864104
Energy: 1.3186621423426343
Energy: 1.3327424981039955
Energy: 1.4349887247262116
Energy: 1.3049452487423223
Energy: 1.414277131171498
Energy: 1.3863070347860598
Energy: 1.3855979031183883
Energy: 1.376180422128448
Energy: 1.3875399573589395
Energy: 1.3872910570100188
Energy: 1.4120969797751435
Energy: 1.3885491429557915
Energy: 1.3916298344925573
Energy: 1.4689862407528502
Energy: 1.3892154226892854
Energy: 1.3899896052226572
Energy: 1.4507644516722535
Energy: 1.2924428964236065
Energy: 1.3886097276443787
Energy: 1.3573737150347052
Energy: 1.3866211554070738
Energy: 1.2936844700806713
Energy: 1.2000495725652807
Energy: 1.2898119492927134
Energy: 1.2881146998683488
Energy: 1.3258874258629336
Energy: 1.2916484825966197
Energy: 1.3637361385927331
Energy: 1.1729189693845576
Energy: 1.286560886401059
Energy: 1.3817082849674296
Energy: 1.3751186118869094
Energy: 1.288789603752585
Energy: 1.364562803280373
Energy: 1.3599282786655251
Energy: 1.3203617820655746
Energy: 1.2905821893710328
Energy: 1.3539748985373057
Energy: 1.4134916768872927
Energy: 1.2884248742182995
Energy: 1.3769206442681345
Energy: 1.287039388294968
Energy: 1.2868988234471332
Energy: 1.3900903258367954
Energy: 1.289637672474188
Energy: 1.2868838618324967
Energy: 1.347301089029461
Energy: 1.296918688336123
Energy: 1.3004145559435718
Energy: 1.3894674473764608
Energy: 1.3025520696936992
Energy: 1.2867121273573439
Energy: 1.3352886656439833
Energy: 1.3192819503270345
Energy: 1.3209918085035393
Energy: 1.4523737520469149
Energy: 1.3202228113309031
Energy: 1.3859360158941465
Energy: 1.4117844455524582
Energy: 1.3865939856243552
Energy: 1.3937765327802094
Energy: 1.5218377968515582
Energy: 1.3867292276308856
Energy: 1.3861971160762345
Energy: 1.3373846215641594
Energy: 1.3864810895730582
Energy: 1.3864016341400878
Energy: 1.469214837897473
Energy: 1.3880281465930933
Energy: 1.386447386154051
Energy: 1.3351414659853182
Energy: 1.413711716029641
Energy: 1.3869718399913964
Energy: 1.454253876047448
Energy: 1.3188872350795247
Energy: 1.3213792983969512
Energy: 1.1736804695989167
Energy: 1.290220730463708
Energy: 1.2885542130465004
Energy: 1.3261936308896984
Energy: 1.2867110623443538
Energy: 1.3610416603661457

minimum gb energy = 1.1729189693845576 eV
minimum distance =  2.2051582668017 Angstroms
sigma value = 19


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

Energy: 2.0214976249230396
Energy: 1.3883863353452517
Energy: 1.4425048308674513
Energy: 1.4363221228544265
Energy: 1.3139448839882448
Energy: 1.3892027377366032
Energy: 1.2976208243039558
Energy: 1.5027854595220023
Energy: 1.3119886595830452
Energy: 1.3552905696727031
Energy: 1.3760088930384624
Energy: 1.4975682936995551
Energy: 1.4568049406513124
Energy: 1.4285018277743844
Energy: 1.486084960141966
Energy: 1.3502155103382385
Energy: 1.430773133521234
Energy: 1.507596240561355
Energy: 1.4993520300689076
Energy: 1.4294711584054025
Energy: 1.4314633386221243
Energy: 1.5000529669599798
Energy: 1.4333813691677941
Energy: 1.5040326079063522
Energy: 1.508240999397996
Energy: 1.446925690062576
Energy: 1.502118413111205
Energy: 1.350304293988369
Energy: 1.54188159301271
Energy: 1.5482318473694914
Energy: 1.4977296301691854
Energy: 1.4478889467315055
Energy: 1.5099752256854029
Energy: 1.2955078250986212
Energy: 1.4864756883012118
Energy: 1.497367875253393
Energy: 1.5356504196087961
Energy: 1.4572834548726434
Energy: 1.4734311023199982
Energy: 1.4762610699408352
Energy: 1.4330963330695525
Energy: 1.5419404518242716
Energy: 1.4538096925693424
Energy: 1.4296703104167967
Energy: 1.4946814272138913
Energy: 1.3504570551787412
Energy: 1.4861170460864643
Energy: 1.4595522704006245
Energy: 1.3452103862511504
Energy: 1.3774718522242522
Energy: 1.3116558679489079
Energy: 1.3518310115793462
Energy: 1.320314938538701
Energy: 1.496638050038243
Energy: 1.3557128854444216
Energy: 1.3150246401739176
Energy: 1.311410131825749
Energy: 1.3183735977381603
Energy: 1.3182422784154098
Energy: 1.4340896613605834
Energy: 1.38268689453108
Energy: 1.4905971552271822
Energy: 1.3771851818543708
Energy: 1.3610401585647298
Energy: 1.375847818336538
Energy: 1.4738193053174191
Energy: 1.4567658732544375
Energy: 1.5236839373387578
Energy: 1.4836507602866933
Energy: 1.4984681733605736
Energy: 1.479223443336314
Energy: 1.5398214051167614
Energy: 1.5790122643903766
Energy: 1.4855704226419202
Energy: 1.5115662848942306
Energy: 1.4984592365811704
Energy: 1.4913721825885418
Energy: 1.5488887739205954
Energy: 1.3841555284258684
Energy: 1.487437595745417
Energy: 1.4293759294910369
Energy: 1.4115190291045778
Energy: 1.4899458405262846
Energy: 1.5001478921375948
Energy: 1.3175907318596112
Energy: 1.311237690970436
Energy: 1.452460632088006
Energy: 1.4144160761265727
Energy: 1.3774098038792728
Energy: 1.3651687787085198
Energy: 1.3580694397517297
Energy: 1.3134996410590543
Energy: 1.3724769865468107
Energy: 1.2997967261809844
Energy: 1.3118951517761317
Energy: 1.3573185820596587
Energy: 1.2953414247771824
Energy: 1.3764070651836973
Energy: 1.4901923399375316
Energy: 1.3820044173085966
Energy: 1.489842486488678
Energy: 1.310943224884305
Energy: 1.4648549460162958
Energy: 1.4319267692841673
Energy: 1.506918038458168
Energy: 1.5198123292981052
Energy: 1.429585874610156
Energy: 1.4306751753851157
Energy: 1.4663914299799572
Energy: 1.430922309589899
Energy: 1.4287940098800522
Energy: 1.497175421193353
Energy: 1.4287190906531515
Energy: 1.4868709388945778
Energy: 1.3495855204991831
Energy: 1.4928995709919115
Energy: 1.4506568154882646
Energy: 1.4908464993456507
Energy: 1.4916497128735289
Energy: 1.375989753145113
Energy: 1.3462452588006557
Energy: 1.4864520765959253
Energy: 1.4752179023680025
Energy: 1.4957149947636101
Energy: 1.4308096036779396
Energy: 1.5099514376582992
Energy: 1.231659549649933
Energy: 1.4312837921691643
Energy: 1.4556498333781724
Energy: 1.5444660969386486
Energy: 1.4588229883693484
Energy: 1.4751931740426854
Energy: 1.2951358983053967
Energy: 1.4398154293228809
Energy: 1.5288495261566069
Energy: 1.3834365231422996
Energy: 1.4881894295749618
Energy: 1.3771210837097427
Energy: 1.3552302069656208
Energy: 1.3104245747474783
Energy: 1.4360280702418287
Energy: 1.3454138423151447
Energy: 1.3115519863338607
Energy: 1.356133738982971
Energy: 1.3194664905899498
Energy: 1.3132638518690913
Energy: 1.376408195014293
Energy: 1.3455050290174304
Energy: 1.3107392350167302
Energy: 1.3119939910533405
Energy: 1.3735692966387976
Energy: 1.5099291035947766
Energy: 1.5260355075209127
Energy: 1.382844932082243
Energy: 1.4872971671535673
Energy: 1.3758100795874604
Energy: 1.4938051225878426
Energy: 1.479529910744728
Energy: 1.4795971773456689
Energy: 1.4986023110497755
Energy: 1.4799366076605271
Energy: 1.4849876502350434
Energy: 1.456072074240555
Energy: 1.4788976600521688
Energy: 1.4890724016268604
Energy: 1.5818753858862276
Energy: 1.4730155725495153
Energy: 1.5076496757257074
Energy: 1.3833007694816173
Energy: 1.4894944849176506
Energy: 1.4179798749098864
Energy: 1.3839954171973798
Energy: 1.5036248411926594
Energy: 1.4289960769533923
Energy: 1.229446090258673
Energy: 1.3107938821805085
Energy: 1.3119409812993386
Energy: 1.31720207031383
Energy: 1.312702937184984
Energy: 1.3701903687943138

minimum gb energy = 1.229446090258673 eV
minimum distance =  2.18943708117394 Angstroms
sigma value = 27


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

Energy: 1.6517122391848265
Energy: 1.3730634005261548
Energy: 1.5040348946654325
Energy: 1.2426417953400954
Energy: 1.4413599494776317
Energy: 1.4008389374610921
Energy: 1.1878301081210156
Energy: 1.3990544878581603
Energy: 1.3862899959780848
Energy: 1.2053777519261275
Energy: 1.331756756016025
Energy: 1.3939497132586518
Energy: 1.200547105078987
Energy: 1.35211844517889
Energy: 1.3332031968336933
Energy: 1.2079725211000019
Energy: 1.3362179571673305
Energy: 1.3867236238559189
Energy: 1.2406455941880834
Energy: 1.3290904991736683
Energy: 1.3321706443350205
Energy: 1.3858303784212964
Energy: 1.333095449091991
Energy: 1.3283252026731558
Energy: 1.2044791297496722
Energy: 1.3217500012481405
Energy: 1.5145862545825846
Energy: 1.2100648889180947
Energy: 1.3928133816849184
Energy: 1.322349362876553
Energy: 1.2411016015615002
Energy: 1.329817823133516
Energy: 1.3944044592937515
Energy: 1.2091752601581192
Energy: 1.3957642364185912
Energy: 1.327393314851893
Energy: 1.2438694904042045
Energy: 1.446268620665245
Energy: 1.3737300569166162
Energy: 1.6513764500370864
Energy: 1.3369229268036975
Energy: 1.5016020406895383
Energy: 1.2045983139631267
Energy: 1.385911005009134
Energy: 1.4692248780478676
Energy: 1.2094399985682787
Energy: 1.3969463167970473
Energy: 1.3858203593658727
Energy: 1.2079290634770703
Energy: 1.3340692243201975
Energy: 1.350464155874155
Energy: 1.2103459823748812
Energy: 1.3352168600083685
Energy: 1.3969655442922513
Energy: 1.2023251255071232
Energy: 1.333876436633637
Energy: 1.328643779976482
Energy: 1.3887219648857285
Energy: 1.332184247284697
Energy: 1.333274945343741
Energy: 1.2104382081255602
Energy: 1.3850914140887194
Energy: 1.3241925407941184
Energy: 1.2046164541043067
Energy: 1.4675574247589687
Energy: 1.5631090927303213
Energy: 1.20925972648756
Energy: 1.3856158011010467
Energy: 1.3277055062983563
Energy: 1.2410765163824702
Energy: 1.3331779915686521
Energy: 1.4740996532194242

minimum gb energy = 1.1878301081210156 eV
minimum distance =  2.21917220022834 Angstroms
sigma value = 9


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

Energy: 1.3680112598140104
Energy: 1.3934570761042604
Energy: 1.2889606376835585
Energy: 1.3928454542914082
Energy: 1.3173784491482299
Energy: 1.455631053434599
Energy: 1.390741920526964
Energy: 1.458805152792849
Energy: 1.3156533283543979
Energy: 1.3164964344530234
Energy: 1.3144792797652889
Energy: 1.3892947476573936
Energy: 1.4407676785646655
Energy: 1.504421551991908
Energy: 1.5009453072045738
Energy: 1.3237207216986666
Energy: 1.4955716056957742
Energy: 1.5599143140475957
Energy: 1.2477248854317904
Energy: 1.5015735478029966
Energy: 1.502445879951505
Energy: 1.3155380993722532
Energy: 1.4969827626211343
Energy: 1.5018551469457622
Energy: 1.3646609036999984
Energy: 1.5012726634358893
Energy: 1.5021081997390768
Energy: 1.3912812704863162
Energy: 1.4949303366919544
Energy: 1.5256136343940203
Energy: 1.3592524667809962
Energy: 1.3141294504353194
Energy: 1.538439773760023
Energy: 1.3940320819046095
Energy: 1.3155231423401952
Energy: 1.3164441468864525
Energy: 1.2903989710708401
Energy: 1.3167369093889763
Energy: 1.4166075175590727
Energy: 1.4682490011752
Energy: 1.3164226833125015
Energy: 1.287776979997288
Energy: 1.275777175185368
Energy: 1.3151529701793823
Energy: 1.554924563538117
Energy: 1.393300906484102
Energy: 1.3155201083792458
Energy: 1.2772744990466902
Energy: 1.2905630677094155
Energy: 1.4813531143972882
Energy: 1.5388843175354332
Energy: 1.3904995946787395
Energy: 1.4695525176218442
Energy: 1.511239058053254
Energy: 1.2901600961053685
Energy: 1.4813020575401852
Energy: 1.4684732303379062
Energy: 1.3795164254317356
Energy: 1.470049744472381
Energy: 1.4887879354258016
Energy: 1.394627898711743
Energy: 1.5070629821074935
Energy: 1.4678706083818596
Energy: 1.3824636975655618
Energy: 1.4681572811536492
Energy: 1.4912921495903941
Energy: 1.3921133576292812
Energy: 1.5617056952466633
Energy: 1.419457041704824
Energy: 1.3906162244714595
Energy: 1.4171964913220665
Energy: 1.3908963963868695
Energy: 1.359787773956297
Energy: 1.4184958527758638
Energy: 1.4044865533948743
Energy: 1.338157260247539
Energy: 1.418644017446365
Energy: 1.5089441562605443
Energy: 1.3952560952167705
Energy: 1.4190670210175145
Energy: 1.388905066260002
Energy: 1.3664490395137963
Energy: 1.4170767666397217
Energy: 1.482547418859649
Energy: 1.3965114823592704
Energy: 1.5923680243116574
Energy: 1.3980874246669448
Energy: 1.3391561094259696
Energy: 1.4200116050365537
Energy: 1.5149398937906873
Energy: 1.4798575938259468
Energy: 1.4178593146017255
Energy: 1.425540090396665
Energy: 1.3671527326095996
Energy: 1.4169934577258063
Energy: 1.444575777092662
Energy: 1.3911657044587016
Energy: 1.417797213831194
Energy: 1.4172699426080515
Energy: 1.3889727292575573
Energy: 1.4171483224086276
Energy: 1.443223434256664
Energy: 1.393465039407203
Energy: 1.467753405141961
Energy: 1.5370268512544556
Energy: 1.4380151625755087
Energy: 1.4680277978096445
Energy: 1.3166433316668287
Energy: 1.2904262600910406
Energy: 1.489877140103492
Energy: 1.51119956059742
Energy: 1.4121386819213344
Energy: 1.4763085513765302
Energy: 1.5184316215435705
Energy: 1.2914544419968705
Energy: 1.4755998573014812
Energy: 1.4689359153696993
Energy: 1.3912971877333524
Energy: 1.4686940629853003
Energy: 1.499777715623768
Energy: 1.286734419786029
Energy: 1.2783038105606421
Energy: 1.5598198129559444
Energy: 1.3882567410256264
Energy: 1.5364100717723022
Energy: 1.276221410916076
Energy: 1.2750015688406426
Energy: 1.3138636996010244
Energy: 1.379324365937666
Energy: 1.3849318880005994
Energy: 1.314086580786065
Energy: 1.275461742690867
Energy: 1.3583317005462963
Energy: 1.3153383310894868
Energy: 1.4695744646510014
Energy: 1.3853755882690495
Energy: 1.3148022382078621
Energy: 1.3135681366043384
Energy: 1.3620239110311583
Energy: 1.5013531903627024
Energy: 1.5023201004908897
Energy: 1.3893006633760605
Energy: 1.5173571774223968
Energy: 1.315564423029474
Energy: 1.3625793851093784
Energy: 1.523057481577213
Energy: 1.5012196417203036
Energy: 1.3201802970307754
Energy: 1.501949283403165
Energy: 1.5556456300850514
Energy: 1.361173808851017
Energy: 1.501939660622259
Energy: 1.5040128448274959
Energy: 1.2391168157880599
Energy: 1.501970415369147
Energy: 1.503358103051633
Energy: 1.4391642535210152
Energy: 1.4920984502537356
Energy: 1.3146750177086346
Energy: 1.3626406508859068
Energy: 1.3151447421266185
Energy: 1.3914449346660753
Energy: 1.4348082061173253
Energy: 1.3140732146863594
Energy: 1.3158154527030097
Energy: 1.351325725724473
Energy: 1.3181074632138212
Energy: 1.4188597010656965
Energy: 1.3917073841418992
Energy: 1.3155004439044329
Energy: 1.3142233126317706
Energy: 1.2717945102619002
Energy: 1.3138786167740304
Energy: 1.4146441512117447
Energy: 1.4372584895759888
Energy: 1.541443133100632
Energy: 1.3798870821741807
Energy: 1.2893949689045299
Energy: 1.5084522738854906
Energy: 1.6099466037106067
Energy: 1.487315612509532
Energy: 1.468770606756428
Energy: 1.4906844726132045
Energy: 1.5262558340523733
Energy: 1.4684518355372778
Energy: 1.4682796728044059
Energy: 1.4821716457112515
Energy: 1.4709485044880246
Energy: 1.5249530009293077
Energy: 1.2948358041742276
Energy: 1.4816826091100759
Energy: 1.4859197022840775
Energy: 1.4406597948061637
Energy: 1.4173654450160118
Energy: 1.4278301537146012
Energy: 1.3903419137981392
Energy: 1.4747934161787672
Energy: 1.3878131513274234
Energy: 1.3989285043634574
Energy: 1.4169124728332074
Energy: 1.416806405571937
Energy: 1.3833781226091637
Energy: 1.4174654709152719
Energy: 1.4823643788792193
Energy: 1.3712515245969945
Energy: 1.415308610938937
Energy: 1.4175068984827606
Energy: 1.3887047276042395
Energy: 1.4171867672165719
Energy: 1.3927288080941813
Energy: 1.33490175248545
Energy: 1.4849093458226361
Energy: 1.5913487435266787
Energy: 1.3904838941244069
Energy: 1.5819521056090267
Energy: 1.4096816686416866
Energy: 1.3716137339506818
Energy: 1.4158498855268709
Energy: 1.4165007785245793
Energy: 1.3908500183979988
Energy: 1.4174745086606468
Energy: 1.4212900566058944
Energy: 1.3514362785676117
Energy: 1.4423300128904863
Energy: 1.4452384804815177
Energy: 1.3795980278578066
Energy: 1.4167889353130176
Energy: 1.498216319249879
Energy: 1.4379892378503616
Energy: 1.415494082857904
Energy: 1.4564039439077836
Energy: 1.3918559547320142
Energy: 1.4679254955927374
Energy: 1.387557563106641
Energy: 1.361534666962904
Energy: 1.475211613990972
Energy: 1.5258888944813547
Energy: 1.2943778287918475
Energy: 1.481875719760501
Energy: 1.4687437620378
Energy: 1.44373336322829
Energy: 1.4687280300358707
Energy: 1.4878122983287425
Energy: 1.290372123372488
Energy: 1.4670721410006364
Energy: 1.468268132923344
Energy: 1.4377985623745844
Energy: 1.5426775975638205
Energy: 1.5102808294814722
Energy: 1.2894902383662592
Energy: 1.500378169783246
Energy: 1.5303869764785245
Energy: 1.3913724494225355
Energy: 1.3139768204176596
Energy: 1.314869028040388
Energy: 1.2708905423308159
Energy: 1.3142919800268604
Energy: 1.6078320887372353

minimum gb energy = 1.2391168157880599 eV
minimum distance =  2.20290923128193 Angstroms
sigma value = 57


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

Energy: 2.368831543102211
Energy: 1.4332227659584074
Energy: 1.1672056358042706
Energy: 1.1681724927544122
Energy: 1.3177004722678496
Energy: 1.4335658398563025
Energy: 1.7056997578316793
Energy: 1.449145616220255
Energy: 1.293748797083647
Energy: 1.1397390195913395
Energy: 1.2936613859290742
Energy: 1.4157985264933097
Energy: 1.1437941003736387
Energy: 1.3383431464618374
Energy: 1.4274440584655517
Energy: 1.139930515491721
Energy: 1.4273548628482162
Energy: 1.29619127073072
Energy: 1.1461119452867297
Energy: 1.4270782241663684
Energy: 1.428139038069831
Energy: 1.345509894419039
Energy: 1.4270393780903945
Energy: 1.1441709474983566
Energy: 1.1471828440763705
Energy: 1.345085421223504
Energy: 1.4345826539471251
Energy: 1.1393626432629789
Energy: 1.4280626572009376
Energy: 1.3448072302706868
Energy: 1.1363508951424721
Energy: 1.292935567810116
Energy: 1.4369624547694377
Energy: 1.1506657745228133
Energy: 1.2955637908931597
Energy: 1.2920041913195228
Energy: 1.1626814614624632
Energy: 1.3242296646262641
Energy: 1.29905512025581
Energy: 1.3373629669505238
Energy: 1.3143635083333967
Energy: 1.165323968237939
Energy: 1.1665861007676588
Energy: 1.2927368875482474
Energy: 1.449563398091114
Energy: 1.2963229218932273
Energy: 1.2952604452111696
Energy: 1.2911163899127074
Energy: 1.1643686879138901
Energy: 1.1652728532695333
Energy: 1.4489376079402474
Energy: 1.1421571987226589
Energy: 1.4353092861039924
Energy: 1.1652562490038896
Energy: 1.1664446002437598
Energy: 1.2983577508356834
Energy: 1.4135238236873766
Energy: 1.4101861973291936
Energy: 1.295202641141486
Energy: 1.1652360143944018
Energy: 1.1418238846849706
Energy: 1.147441835617926
Energy: 1.4410275362917748
Energy: 1.1379209676452053
Energy: 1.2917319100262152
Energy: 1.1455626642273928
Energy: 1.1504505217029066
Energy: 1.4475225391900204
Energy: 1.4275526763654378
Energy: 1.1419559735008031
Energy: 1.4276917473993986
Energy: 1.2936713217726343
Energy: 1.1524953659600414
Energy: 1.4278269993920383
Energy: 1.3442269070558461
Energy: 1.3002623443299837
Energy: 1.4447652260745094
Energy: 1.427813302041492
Energy: 1.1492092459250414
Energy: 1.4493885213035982
Energy: 1.3448250994453237
Energy: 1.14287638508515
Energy: 1.4278166820488944
Energy: 1.3429145375484948
Energy: 1.1453301140889462
Energy: 1.4287503225871507
Energy: 1.2973240504617443
Energy: 1.1474792742304716
Energy: 1.2986918297582157
Energy: 1.2943383226003449
Energy: 1.426787726402595
Energy: 1.2975833788901816
Energy: 1.300613719045297
Energy: 1.148821380043862
Energy: 1.2974030711348645
Energy: 1.3419251725053405
Energy: 1.416451607605885
Energy: 1.2936024603240275
Energy: 1.2930410363360638
Energy: 1.1667078009490177
Energy: 1.292898618613953
Energy: 1.4164535901574604
Energy: 1.1387505293065385
Energy: 1.434311528115806
Energy: 1.1649405904403063
Energy: 1.1628807929389506
Energy: 1.2994540703677637
Energy: 1.415019551312702
Energy: 1.4214683006815183
Energy: 1.2941574307592114
Energy: 1.2918428489866798
Energy: 1.1657851911497228
Energy: 1.2923960358034559
Energy: 1.4340159183943322

minimum gb energy = 1.1363508951424721 eV
minimum distance =  2.18387997618169 Angstroms
sigma value = 11


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

Energy: 1.5855028269203124
Energy: 1.2887399025892006
Energy: 1.1069872960796334
Energy: 1.2176680269741411
Energy: 1.2179846326564554
Energy: 1.2713318826987698
Energy: 1.7424710009445368
Energy: 1.3541725104873465
Energy: 1.2714225667640153
Energy: 1.272002141229807
Energy: 1.2142604846382032
Energy: 1.3993222371988037
Energy: 1.6203714179179134
Energy: 1.35782304345073
Energy: 1.3286419488533
Energy: 1.2690308693368757
Energy: 1.3288670072953372
Energy: 1.4059376024568333
Energy: 1.6036220051473855
Energy: 1.3565904512573619
Energy: 1.3283987941597484
Energy: 1.2714456684632744
Energy: 1.328952036514381
Energy: 1.3596916737783602
Energy: 1.6117347074750121
Energy: 1.35558490285581
Energy: 1.3836926959770586
Energy: 1.3184326870042877
Energy: 1.3834250156553367
Energy: 1.3614846423084563
Energy: 1.615532736822931
Energy: 1.3967442142466657
Energy: 1.4145786669458884
Energy: 1.3137727665095986
Energy: 1.3892001125720945
Energy: 1.4150243284768351
Energy: 1.332838658189955
Energy: 1.2476023691460763
Energy: 1.350658812165951
Energy: 1.3575452607076768
Energy: 1.3517428272364451
Energy: 1.2019267168254244
Energy: 1.1744590422429313
Energy: 1.3508786374436987
Energy: 1.3551436432186872
Energy: 1.304299508481728
Energy: 1.3551079672504542
Energy: 1.2508951906355485
Energy: 1.3255843478754146
Energy: 1.1934244136722807
Energy: 1.3803573544569725
Energy: 1.390846792491053
Energy: 1.353821275390963
Energy: 1.2003071532199625
Energy: 1.3170158897731987
Energy: 1.1875232213540223
Energy: 1.1874891978223832
Energy: 1.329143322365235
Energy: 1.1871682950694964
Energy: 1.189700495608093
Energy: 1.2565341751343493
Energy: 1.18935950933881
Energy: 1.1879012344339925
Energy: 1.4049286835183565
Energy: 1.1865600048355125
Energy: 1.2000051155050677
Energy: 1.2327771584134275
Energy: 1.1881210122573451
Energy: 1.3607492086273263
Energy: 1.3908026278896775
Energy: 1.3417499840710194
Energy: 1.2024137258698657
Energy: 1.203716214840662
Energy: 1.3288996348478792
Energy: 1.2973146930341697
Energy: 1.3807165170891327
Energy: 1.2976424751041367
Energy: 1.0731176723852935
Energy: 1.1914142108644812
Energy: 1.331344469580598
Energy: 1.2991229824268704
Energy: 1.3645474393008625
Energy: 1.2987934825824914
Energy: 1.3426070787465498
Energy: 1.4183915720680156
Energy: 1.3433280999611286
Energy: 1.3999463851096223
Energy: 1.3531634654017612
Energy: 1.375368822003097
Energy: 1.3561292878224156
Energy: 1.4886690885404794
Energy: 1.3317840078505483
Energy: 1.372893980850935
Energy: 1.389727313923446
Energy: 1.332893082262152
Energy: 1.3462305630661198
Energy: 1.4543480008945997
Energy: 1.333536122684407
Energy: 1.3616913671619182
Energy: 1.3608747011483082
Energy: 1.331838256922132
Energy: 1.3346405661204814
Energy: 1.5115695024901958
Energy: 1.333343044446662
Energy: 1.3311141562093738
Energy: 1.3900614819398027
Energy: 1.3314764002538295
Energy: 1.3322403215432486
Energy: 1.8011571780205036
Energy: 1.3529664202569647
Energy: 1.406924288619993
Energy: 1.4057907865533417
Energy: 1.3509375957205763
Energy: 1.3359877373201794
Energy: 1.3671651772907687
Energy: 1.349520586512156
Energy: 1.2603213189880418
Energy: 1.1439450966858242
Energy: 1.3508867986836095
Energy: 1.3550701585432399
Energy: 1.786456846381066
Energy: 1.3647498788775898
Energy: 1.2605056377869501
Energy: 1.198777481576887
Energy: 1.3490413713416356
Energy: 1.331031798073463
Energy: 1.6136319017033383
Energy: 1.3542628175527134
Energy: 1.2136312917714092
Energy: 1.1400731869435592
Energy: 1.245519120998663
Energy: 1.4254670939994794
Energy: 1.4621974059046268
Energy: 1.2157086002784496
Energy: 1.2097177459871495
Energy: 1.1397171358165337
Energy: 1.2076586991063905
Energy: 1.3294202221229383
Energy: 1.886759608881963
Energy: 1.212525772810373
Energy: 1.1796909019857809
Energy: 1.1063892579323873
Energy: 1.2105099443144312
Energy: 1.3947461028445811
Energy: 1.6109466509202897
Energy: 1.325198617138434
Energy: 1.1028496851130052
Energy: 1.1020886293424856
Energy: 1.176250585563088
Energy: 1.3813515764284738
Energy: 1.7386451795341984
Energy: 1.2130813931308129
Energy: 1.1051151964248622
Energy: 1.1058401370996958
Energy: 1.2141479185950868
Energy: 1.2548979110975316

minimum gb energy = 1.0731176723852935 eV
minimum distance =  2.16791988986875 Angstroms
sigma value = 41


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

Energy: 1.9041983131170879
Energy: 1.1939722857411406
Energy: 1.0059465930449447
Energy: 1.006121042961416
Energy: 1.0959423616655517
Energy: 1.2577097782585591
Energy: 1.7184208144023176
Energy: 1.217920561469162
Energy: 1.0992146667044127
Energy: 1.1364393561942734
Energy: 1.0997838712603831
Energy: 1.2487441842769424
Energy: 1.7329950289724896
Energy: 1.261233657337434
Energy: 1.2171335087257242
Energy: 1.161705372820279
Energy: 1.2161249991251082
Energy: 1.2954784446400012
Energy: 1.7250873480935232
Energy: 1.2162136201125182
Energy: 1.2166123075885982
Energy: 1.164496636318236
Energy: 1.2155164536188603
Energy: 1.2442098534328396
Energy: 1.7268703097769993
Energy: 1.215300183285871
Energy: 1.2152639906287914
Energy: 1.2600228203632393
Energy: 1.2158400459022873
Energy: 1.243416603022288
Energy: 1.7321193506335948
Energy: 1.2525140845024254
Energy: 1.2731783929223277
Energy: 1.2604512926690823
Energy: 1.2523130476661333
Energy: 1.2530605455984258
Energy: 1.5229731670221898
Energy: 1.2529782558954061
Energy: 1.2524668914285917
Energy: 1.2523517114611007
Energy: 1.2522194722507998
Energy: 1.252059786579848
Energy: 1.2955952458782063
Energy: 1.2525212888609167
Energy: 1.2526174928583538
Energy: 1.2166595998264598
Energy: 1.2648738574622769
Energy: 1.2431075991978147
Energy: 1.5121209313965078
Energy: 1.27325741022849
Energy: 1.2524785445118185
Energy: 1.2473969389476645
Energy: 1.2522743839917303
Energy: 1.2186054931945303
Energy: 1.508847094822828
Energy: 1.2599940837672474
Energy: 1.2155860710983837
Energy: 1.2511924063276698
Energy: 1.216068980170673
Energy: 1.2604925264871505
Energy: 1.1570479183249784
Energy: 1.216400610694604
Energy: 1.2156805765389982
Energy: 1.2883580550655152
Energy: 1.2166392212205188
Energy: 1.1472695684987055
Energy: 1.1529622349570698
Energy: 1.1474018610074364
Energy: 1.2480449163845042
Energy: 1.2522009020510951
Energy: 1.2161689310373989
Energy: 1.1478358484908882
Energy: 1.1439674515292755
Energy: 1.0935170501704587
Energy: 1.216391176841437
Energy: 1.251456603862373
Energy: 1.099203884077446
Energy: 1.0933670546726133
Energy: 1.002651790067026
Energy: 1.0969380652620113
Energy: 1.2148752551383186
Energy: 1.2143137603558014
Energy: 1.0953917769661274
Energy: 1.004107438618375
Energy: 1.004708585638227
Energy: 1.093638940107206
Energy: 1.248624415051985
Energy: 1.2725763064233544
Energy: 1.2013196816138314
Energy: 1.0933349703290243
Energy: 1.0036118173581885
Energy: 1.09383023945176
Energy: 1.2248901541629627
Energy: 1.2483116152872076
Energy: 1.2011023682589128
Energy: 1.0055821978500277
Energy: 1.0024507616847456
Energy: 1.006849408834155
Energy: 1.1773732301275521
Energy: 1.2451702282877466
Energy: 1.095195326840399
Energy: 1.0042184795642055
Energy: 1.1426620358890427
Energy: 1.1312922185180063
Energy: 1.2248150061192125
Energy: 1.2441445641425133
Energy: 1.098740822081429
Energy: 1.1304576407502693
Energy: 1.1567552925461047
Energy: 1.2161650110841693
Energy: 1.2475301606572493
Energy: 1.252287079655621
Energy: 1.2166266456808474
Energy: 1.1621538217717806
Energy: 1.1583165327404064
Energy: 1.2164880118464267
Energy: 1.2157724055460606
Energy: 1.2441376331506333
Energy: 1.2161225778518607
Energy: 1.216758130644655
Energy: 1.504670715297972
Energy: 1.2160133458056852
Energy: 1.2438608355770757
Energy: 1.243928975208544
Energy: 1.2162803557696404
Energy: 1.217665125543913
Energy: 1.5190975411524994
Energy: 1.216943055351082
Energy: 1.2544791045249553
Energy: 1.2481729834454824
Energy: 1.2523301864392604
Energy: 1.21620640698612
Energy: 1.5189185532500709
Energy: 1.2522378482490553
Energy: 1.2531391486623376
Energy: 1.2160781076518414
Energy: 1.2647551354755793
Energy: 1.252349635676685
Energy: 1.5236104925979141
Energy: 1.2525556914566383
Energy: 1.2526849383605674
Energy: 1.2463214542233285
Energy: 1.252458627090483
Energy: 1.2522798573140224
Energy: 1.732787912624526
Energy: 1.252789727967183
Energy: 1.252987795257553
Energy: 1.260519587857234
Energy: 1.2525440293968508
Energy: 1.2520117463677953
Energy: 1.5340865971165336
Energy: 1.2162896236638314
Energy: 1.2600552366795008
Energy: 1.2605470619267332
Energy: 1.2151161329654798
Energy: 1.2164443536359941
Energy: 1.500610247585076
Energy: 1.2160115888814018
Energy: 1.1477286769768043
Energy: 1.1625501216581553
Energy: 1.2160930965435657
Energy: 1.215495556150209
Energy: 1.735130393001198
Energy: 1.2246887332905358
Energy: 1.1480878939844408
Energy: 1.1643923952169448
Energy: 1.2152808776112707
Energy: 1.2518104034639879
Energy: 1.7348294351280187
Energy: 1.218140415929043
Energy: 1.0990043642095042
Energy: 1.1381584667293188
Energy: 1.1002372745594196
Energy: 1.2482614000668957
Energy: 1.7175699988317745
Energy: 1.0959097583916586
Energy: 1.094578735384529
Energy: 1.0020288230476777
Energy: 1.094884233120074
Energy: 1.214897152157126
Energy: 1.7349579293479684
Energy: 1.0997411163208728
Energy: 1.0946696404914855
Energy: 1.0051019036196276
Energy: 1.0992592946787603
Energy: 1.248340641333446
Energy: 1.734719510887141
Energy: 1.2073020795396017
Energy: 1.0039004580231932
Energy: 1.0034338565582943
Energy: 1.185361330090772
Energy: 1.2479690915984742
Energy: 1.7098004330579166
Energy: 1.0938391839427593
Energy: 1.0053833092658861
Energy: 1.0054242664015902
Energy: 1.0942785111987816
Energy: 1.1771974735081359

minimum gb energy = 1.0020288230476777 eV
minimum distance =  2.16740254567401 Angstroms
sigma value = 33


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

Energy: 1.810933683919886
Energy: 1.0318361261997169
Energy: 0.8970321981897366
Energy: 1.0343612081560505
Energy: 0.897976471992421
Energy: 1.0877604429533254
Energy: 2.0330323829084946
Energy: 1.0794168736126712
Energy: 0.9675847260498326
Energy: 0.9802408192005261
Energy: 0.9798531365775202
Energy: 1.0773944739863244
Energy: 2.0450216164766193
Energy: 1.0775578739685945
Energy: 1.0494464581724217
Energy: 1.0049536249332622
Energy: 1.0517781976551122
Energy: 1.0928476330360395
Energy: 1.7079626278787299
Energy: 1.0506252117558417
Energy: 0.9938049650025745
Energy: 1.0020799407311465
Energy: 1.0505121360551513
Energy: 1.0751977433725306
Energy: 1.7663039886009753
Energy: 1.0505228984389547
Energy: 1.0502344358494833
Energy: 1.075589632858363
Energy: 1.0516218101540311
Energy: 1.0778302554245005
Energy: 2.014764819238146
Energy: 1.0929893377518975
Energy: 1.0940819327468205
Energy: 1.0767014930154288
Energy: 1.0934434476067354
Energy: 1.0931754501550937
Energy: 1.87742232868495
Energy: 1.1212875667583644
Energy: 1.0940030255543727
Energy: 1.1063797765136834
Energy: 1.0921080448910567
Energy: 1.1214690344877076
Energy: 1.5823140075463107
Energy: 1.0939225199421654
Energy: 1.0919952111224813
Energy: 1.0825899861384347
Energy: 1.093383722606401
Energy: 1.1047795502865283
Energy: 1.8566894074224196
Energy: 1.1092443653160748
Energy: 1.0921107640521217
Energy: 1.0934016434088754
Energy: 1.1235960989335727
Energy: 1.109904623469616
Energy: 1.7089665727835297
Energy: 1.106804810520586
Energy: 1.1051408437138077
Energy: 1.108326806880789
Energy: 1.1069344960444014
Energy: 1.1077667975828667
Energy: 1.3904324228450797
Energy: 1.1060059926795964
Energy: 1.1060696685445857
Energy: 1.121148837600353
Energy: 1.1078938507552882
Energy: 1.10514177309526
Energy: 1.3932943102029522
Energy: 1.1064067414941718
Energy: 1.1053199560439968
Energy: 1.106616222385386
Energy: 1.1066860628161002
Energy: 1.1053231239303818
Energy: 1.542225715107996
Energy: 1.0939263341949768
Energy: 1.1234591672660632
Energy: 1.1058923739994746
Energy: 1.0932336001812424
Energy: 1.093748556002791
Energy: 1.2410591960646278
Energy: 1.09481821824999
Energy: 1.0941063420478792
Energy: 1.1052466199515036
Energy: 1.092789786067891
Energy: 1.0932506787600516
Energy: 1.2458078285272784
Energy: 1.093352414441111
Energy: 1.127935442960287
Energy: 1.1090918843034254
Energy: 1.1213037116336204
Energy: 1.1137836567303268
Energy: 1.242686314890637
Energy: 1.0995297325391957
Energy: 1.0947385070471964
Energy: 1.1067499747761442
Energy: 1.0925878443601595
Energy: 1.075971255084138
Energy: 1.2346869769327613
Energy: 1.0755476796511771
Energy: 1.0923729901729904
Energy: 1.092998620565767
Energy: 1.0506309125032578
Energy: 1.0762639453591072
Energy: 1.0418970356333541
Energy: 1.0516851686939117
Energy: 1.052624109533169
Energy: 1.1081413296038822
Energy: 1.0518556188677604
Energy: 0.9933494854854238
Energy: 1.0318328715066085
Energy: 0.994025653747376
Energy: 1.0779676560655052
Energy: 1.0921430516994206
Energy: 1.0518746408109572
Energy: 1.0035236501194436
Energy: 0.9912131564399252
Energy: 0.9609569942844527
Energy: 0.9801496159502654
Energy: 1.0949946920790377
Energy: 0.9596341692581594
Energy: 0.9800774183965792
Energy: 0.8938423535525584
Energy: 0.9593244845305013
Energy: 1.053110562563613
Energy: 1.091966036836992
Energy: 0.9621641639256762
Energy: 0.9001491315231378
Energy: 0.8996225213987246
Energy: 0.9589493625147156
Energy: 1.0773869460106615
Energy: 1.0774036842359038
Energy: 1.024182660547155
Energy: 0.9019700401268266
Energy: 0.8993870636107073
Energy: 0.9594959767538908
Energy: 1.0797728755501843
Energy: 1.0931832559256898
Energy: 1.042947196406035
Energy: 0.8986453246257121
Energy: 0.893555471443031
Energy: 0.8996332452037333
Energy: 1.0773902016251267
Energy: 1.0756644420454184
Energy: 0.9600828790671284
Energy: 0.903783835389757
Energy: 0.993407192095162
Energy: 0.9594161836709408
Energy: 1.08116618511024
Energy: 1.1051287781685384
Energy: 0.9785347741601313
Energy: 0.981286935380845
Energy: 1.0333780616947434
Energy: 1.0507390689805456
Energy: 1.0790243022606683
Energy: 1.0930518274498138
Energy: 1.0501023855301281
Energy: 1.003378659213049
Energy: 1.0378710309960468
Energy: 1.0519570607959323
Energy: 1.0496134587526529
Energy: 1.1227950223431324
Energy: 1.0504179575850057
Energy: 1.0127643939123834
Energy: 1.2332774087934217
Energy: 1.0514267366719545
Energy: 1.076341860826387
Energy: 1.1038434856804877
Energy: 1.049904063829551
Energy: 1.0749087497844312
Energy: 1.283489735742054
Energy: 1.1079738917869033
Energy: 1.0934650721349213
Energy: 1.1052143935452727
Energy: 1.0940171925426976
Energy: 1.128415723989464
Energy: 1.241976792381877
Energy: 1.093875817713853
Energy: 1.1202182353993455
Energy: 1.1067029327956746
Energy: 1.121708844267512
Energy: 1.0922613885893182
Energy: 1.290532859132919
Energy: 1.0921321258284684
Energy: 1.1031726979549303
Energy: 1.1024016022509655
Energy: 1.0949102007242018
Energy: 1.0927351469730509
Energy: 1.5518002960456618
Energy: 1.0914843005409416
Energy: 1.1309827731734032
Energy: 1.1084578359600648
Energy: 1.121945470151991
Energy: 1.0927125182646775
Energy: 1.5526405820062628
Energy: 1.1075311055076253
Energy: 1.1058120173647679
Energy: 1.1071767504716405
Energy: 1.1066579600019881
Energy: 1.106289131115575
Energy: 1.5505023405999356
Energy: 1.1058013691159194
Energy: 1.1054845536467015
Energy: 1.1021408087550033
Energy: 1.106455907569053
Energy: 1.1061151508821945
Energy: 1.869005672041415
Energy: 1.1058304177520064
Energy: 1.1056787479949461
Energy: 1.1051934419154517
Energy: 1.1076231532275702
Energy: 1.1063682702369382
Energy: 1.8809400925203286
Energy: 1.1339801754141385
Energy: 1.0915446266304836
Energy: 1.0936927194394375
Energy: 1.0925340430402375
Energy: 1.1094437865157676
Energy: 1.5482351084831603
Energy: 1.0931010140250175
Energy: 1.0916816248053367
Energy: 1.1031652423273288
Energy: 1.093459912605288
Energy: 1.105904398665505
Energy: 1.8635113318787702
Energy: 1.1400827294638385
Energy: 1.1122892865981118
Energy: 1.1131288014587273
Energy: 1.1009779940001965
Energy: 1.1305881264032038
Energy: 2.0401489634503576
Energy: 1.093045166309034
Energy: 1.1200330322151866
Energy: 1.077427025079182
Energy: 1.092317635378461
Energy: 1.0940705122683723
Energy: 1.8711460676778535
Energy: 1.0521639778988174
Energy: 1.076290217848454
Energy: 1.075792275837747
Energy: 1.0507323609401562
Energy: 1.0927313276269028
Energy: 1.8732440548994265
Energy: 1.052982269108634
Energy: 0.9939007307651244
Energy: 1.0042137154999398
Energy: 1.0514593319202767
Energy: 1.0512109840520851
Energy: 2.040180858848967
Energy: 1.077213925740864
Energy: 0.994170381408554
Energy: 1.0104949915248393
Energy: 1.0513337212936413
Energy: 1.07944161606234
Energy: 2.0294902163167574
Energy: 0.9939767417061646
Energy: 0.9855878458954338
Energy: 0.9816770368805388
Energy: 0.9598619849006759
Energy: 1.0786882667696156
Energy: 1.865880464114643
Energy: 0.9597412626206946
Energy: 0.9011295719860941
Energy: 0.8959458993276296
Energy: 0.9604712968919827
Energy: 1.0924383875126256
Energy: 2.0210524830936687
Energy: 1.0785890248702095
Energy: 0.9602523995384311
Energy: 0.899366750271985
Energy: 0.9595019271318108
Energy: 1.0778573121117492
Energy: 2.012665629181559
Energy: 1.0782447644006083
Energy: 0.898098967345042
Energy: 0.9012008882013085
Energy: 0.9592728160428672
Energy: 1.0781673771450688
Energy: 2.0461469184883225
Energy: 0.9619397629622286
Energy: 0.899014553105083
Energy: 0.8944895259192966
Energy: 0.9618388660283754
Energy: 1.0773558500747884

minimum gb energy = 0.893555471443031 eV
minimum distance =  2.2284095377596 Angstroms
sigma value = 67


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

Energy: 0.34242755632821126
Energy: 0.29234556011664214
Energy: 0.4235380615198099
Energy: 0.42381610198418745
Energy: 0.4089487571510552
Energy: 0.2924090060575865
Energy: 0.2756038541014264
Energy: 0.4228107149760323
Energy: 0.4074261589843931
Energy: 0.40744559303295796
Energy: 0.42134729961310163
Energy: 0.4228036515177388
Energy: 1.481312089644059
Energy: 0.4073660729170435
Energy: 0.4072726072188948
Energy: 0.40758974348958704
Energy: 0.40676605575452224
Energy: 0.4072653684096853
Energy: 0.2761976560831072
Energy: 0.40692664933669975
Energy: 0.4076172647090232
Energy: 0.4076665131243358
Energy: 0.406414777174921
Energy: 0.27556489859301475
Energy: 0.2754644239967452
Energy: 0.40635986819524633
Energy: 0.40709526456479533
Energy: 0.40754425578923825
Energy: 0.4058319404153486
Energy: 0.27548803736584077
Energy: 1.4803926352958403
Energy: 0.40694312102798524
Energy: 0.40759955547867444
Energy: 0.40758544945398495
Energy: 0.40673713192034594
Energy: 0.4076180627442376
Energy: 0.2754852111971712
Energy: 0.4232163984743949
Energy: 0.4075218177163696
Energy: 0.40778647796039114
Energy: 0.4075893309031425
Energy: 0.4229685923289671

minimum gb energy = 0.2754644239967452 eV
minimum distance =  2.40723494476395 Angstroms
sigma value = 3


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

Energy: 2.018592895367252
Energy: 1.0536325465855167
Energy: 0.8778666515740584
Energy: 0.8655193542198085
Energy: 0.9701037475034612
Energy: 1.0815710519578008
Energy: 1.9944012514999077
Energy: 1.058542155221668
Energy: 0.8622766100472343
Energy: 0.8652743566933367
Energy: 0.8617182191725713
Energy: 1.0662587521408944
Energy: 1.6620880995234881
Energy: 1.0449584092578996
Energy: 0.8694198386151235
Energy: 0.8710583358658794
Energy: 0.8693184495764698
Energy: 1.0503179379810201
Energy: 2.1319994302476952
Energy: 0.9626297297895928
Energy: 0.8632237651780434
Energy: 0.8650929840042393
Energy: 0.9683404507831602
Energy: 1.0605983697813515
Energy: 2.1354589478160597
Energy: 0.9559755102259891
Energy: 0.9609760005135768
Energy: 0.9588165328185925
Energy: 0.9631351799543004
Energy: 1.0621882993859766
Energy: 1.6615473617022558
Energy: 1.042436620294011
Energy: 0.9723331769046037
Energy: 0.9618303090307447
Energy: 0.9569136295255641
Energy: 1.0742059954463075
Energy: 1.9840169255992053
Energy: 1.0562824562433775
Energy: 0.9675743001275069
Energy: 0.9733353701388272
Energy: 0.9743253322324449
Energy: 1.0662837410492396
Energy: 1.8422873089898815
Energy: 1.061360330845749
Energy: 1.071303291248998
Energy: 1.0971833883101225
Energy: 1.059861493854379
Energy: 1.0815118415405325
Energy: 1.984188178508725
Energy: 1.0667439970498338
Energy: 1.0700782180435569
Energy: 1.0827335224876313
Energy: 1.0889048183978596
Energy: 1.0727445806518976
Energy: 1.6602336502429598
Energy: 1.0812728599282313
Energy: 1.0568800261697486
Energy: 1.0742286171928663
Energy: 1.0592910855756554
Energy: 1.0979940013333196
Energy: 1.8404140774399291
Energy: 1.0821418843768944
Energy: 1.09605464451827
Energy: 1.213466544897938
Energy: 1.0956259598749771
Energy: 1.0858124933296385
Energy: 1.8186031206401276
Energy: 1.0929212083578692
Energy: 1.08917263602331
Energy: 1.1282953044608541
Energy: 1.0904574932690487
Energy: 1.0920714401485063
Energy: 1.809979620129798
Energy: 1.0979980981005033
Energy: 1.0844726540248772
Energy: 1.102316700064779
Energy: 1.0974836933541474
Energy: 1.1052212898617781
Energy: 1.802995581069943
Energy: 1.088296568845951
Energy: 1.1043597078346663
Energy: 1.1251585845346923
Energy: 1.1042707469630895
Energy: 1.0886447100567371
Energy: 1.5340663159516554
Energy: 1.0933429126333734
Energy: 1.1215982741378099
Energy: 1.146292986907648
Energy: 1.1090567312584143
Energy: 1.0891411501669024
Energy: 1.5303398091968103
Energy: 1.118005052221106
Energy: 1.0893799766968961
Energy: 1.0861995368806332
Energy: 1.094506782096834
Energy: 1.1100308754410357
Energy: 1.5201724534830376
Energy: 1.1127897184415485
Energy: 1.0893625483031655
Energy: 1.0882444172287322
Energy: 1.0911472163543943
Energy: 1.1153221176150374
Energy: 1.5371610059189555
Energy: 1.091841819228307
Energy: 1.0961858426545976
Energy: 1.1031905296166327
Energy: 1.086562205078243
Energy: 1.0836226158587732
Energy: 1.5244698636973957
Energy: 1.0958608665723604
Energy: 1.0928877413914961
Energy: 1.0955772288682821
Energy: 1.0869691698836923
Energy: 1.0983280338648573
Energy: 1.2539043976854976
Energy: 1.0934149315459691
Energy: 1.087234074328065
Energy: 1.0887109054643698
Energy: 1.0810777213409977
Energy: 1.1011698911337577
Energy: 1.2248645752668497
Energy: 1.0594708432779032
Energy: 1.0914133372384396
Energy: 1.1111751274357833
Energy: 1.090828534013219
Energy: 1.0564456358525636
Energy: 1.2402383579189493
Energy: 1.066822898449647
Energy: 1.083983388177673
Energy: 1.133101149387306
Energy: 1.0675248591727338
Energy: 1.0739557587033832
Energy: 0.9836072919047445
Energy: 1.0716099148871745
Energy: 1.0745739052688932
Energy: 1.0881578575075106
Energy: 1.0575965043158666
Energy: 0.9755909929478433
Energy: 0.9833045490918423
Energy: 0.9653366263389975
Energy: 1.0662316561566891
Energy: 1.0914322407124162
Energy: 1.0752183135227145
Energy: 0.9716150639249004
Energy: 0.982478292494888
Energy: 0.9561297419302882
Energy: 1.0515596531426794
Energy: 1.0893413029140029
Energy: 0.9648458505267823
Energy: 0.9650119277756852
Energy: 0.9765118233274604
Energy: 0.9622263687883635
Energy: 1.0523107580483697
Energy: 1.0731314567012387
Energy: 0.9551021954702515
Energy: 0.9591501548256727
Energy: 0.8630588313501196
Energy: 0.8606742652506878
Energy: 1.0408846128650182
Energy: 1.071421679468129
Energy: 0.9588410220637782
Energy: 0.8621244285931429
Energy: 0.8710342959018642
Energy: 0.8693221945635946
Energy: 1.0454112569607532
Energy: 1.1235922803514142
Energy: 0.8717765268629352
Energy: 0.8670738516131105
Energy: 0.8642895586864953
Energy: 0.8633271981067981
Energy: 1.054686993492976
Energy: 1.087344404220449
Energy: 0.9679735201486743
Energy: 0.8630470420786858
Energy: 1.0099782601376797
Energy: 0.9950584856180702
Energy: 1.0603127111355666
Energy: 1.0830207976476864
Energy: 0.9559695334806095
Energy: 0.9828795119820262
Energy: 0.9838343302332185
Energy: 0.9689142817789715
Energy: 1.0620940025500454
Energy: 1.096662316389617
Energy: 0.9721389331884821
Energy: 0.9884305939417735
Energy: 0.9771270393106684
Energy: 0.9572283701812672
Energy: 1.0787980886582744
Energy: 1.1073109895832287
Energy: 0.985990553140833
Energy: 0.9638908092677285
Energy: 0.9895204501760084
Energy: 0.9746344369931196
Energy: 1.060042875261813
Energy: 1.0902290740573666
Energy: 1.0607803934365614
Energy: 0.9678512472422506
Energy: 1.2303503997255028
Energy: 1.0657205657407887
Energy: 1.0675658065461884
Energy: 1.0790791261834218
Energy: 1.0558616294159657
Energy: 1.0601785970106168
Energy: 1.2326212607386704
Energy: 1.0616045144258972
Energy: 1.0888150480867556
Energy: 1.1560023861621953
Energy: 1.0613360801109608
Energy: 1.0600972913816769
Energy: 1.245165279599415
Energy: 1.0870800018596245
Energy: 1.0913768326258537
Energy: 1.093323451938128
Energy: 1.0808499562632183
Energy: 1.0881987137867783
Energy: 1.3873261818756737
Energy: 1.0943735782414206
Energy: 1.081273770780139
Energy: 1.0901012862382922
Energy: 1.080919275698514
Energy: 1.1011112271139498
Energy: 1.3884983551363317
Energy: 1.0872357618270498
Energy: 1.0955501162154087
Energy: 1.0995537182071031
Energy: 1.1085736764948182
Energy: 1.0840156715634015
Energy: 1.5137942548232168
Energy: 1.0820691477865751
Energy: 1.0906226654774906
Energy: 1.1060394779998721
Energy: 1.1117200032690713
Energy: 1.099974874105185
Energy: 1.5331908756248895
Energy: 1.1124545196863536
Energy: 1.0884488660796086
Energy: 1.0857745248963258
Energy: 1.0949369991268165
Energy: 1.121808921122261
Energy: 1.6751216790090968
Energy: 1.1027743462672432
Energy: 1.1125550708093777
Energy: 1.108288127382038
Energy: 1.1017565323291136
Energy: 1.096010967695717
Energy: 1.6773200952977498
Energy: 1.089288004641983
Energy: 1.1064005536826047
Energy: 1.1063890613996057
Energy: 1.102450249051889
Energy: 1.0903732805031283
Energy: 1.6569454999591398
Energy: 1.0815234608340698
Energy: 1.081134779000046
Energy: 1.1126081870755293
Energy: 1.0841292467573593
Energy: 1.1099566615464889
Energy: 1.9542467550130924
Energy: 1.0925217892004397
Energy: 1.0932209621749747
Energy: 1.0847144815743197
Energy: 1.090702589840436
Energy: 1.107937626506064
Energy: 1.6875744750886346
Energy: 1.0822862751290132
Energy: 1.0895725427934377
Energy: 1.1055321950438608
Energy: 1.0889368453594004
Energy: 1.0877588248467471
Energy: 1.952154117115034
Energy: 1.0889475612284194
Energy: 1.0937056524124664
Energy: 1.0923374790231035
Energy: 1.0963011727315837
Energy: 1.0897838273371563
Energy: 1.6621503826393955
Energy: 1.0669008192633724
Energy: 1.0650071232964695
Energy: 1.0702269366120574
Energy: 1.0701308874407853
Energy: 1.0891318240425636
Energy: 1.9810000358458404
Energy: 1.0654683379232488
Energy: 1.0574625165492788
Energy: 1.0789980863924256
Energy: 1.0620654968739371
Energy: 1.0713276465727444
Energy: 1.9776561166418882
Energy: 1.0606474281145326
Energy: 0.9658056918019443
Energy: 0.9747050462487644
Energy: 0.9747329573720368
Energy: 1.0711324615366855
Energy: 1.6616422108890871
Energy: 1.067828844085228
Energy: 0.9634058498186623
Energy: 0.959757506225134
Energy: 0.9579686949949832
Energy: 1.078674964732229
Energy: 1.994111122396178
Energy: 0.9748864348842512
Energy: 0.957589238322183
Energy: 0.9787864159770103
Energy: 0.9613428724817602
Energy: 1.0626189234553762

minimum gb energy = 0.8606742652506878 eV
minimum distance =  2.23167609213666 Angstroms
sigma value = 81


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

Energy: 2.270968185721318
Energy: 1.1598439652757855
Energy: 0.9941687491479704
Energy: 0.9754667974564093
Energy: 1.1201141415472342
Energy: 1.2353261661877883
Energy: 1.8143756059670333
Energy: 1.114054456311772
Energy: 0.9711012796238717
Energy: 0.9699815358520232
Energy: 0.9730276120345316
Energy: 1.2215796828449395
Energy: 1.7034328998650459
Energy: 1.0472593146764433
Energy: 0.9770837834329994
Energy: 0.9763641250863626
Energy: 0.9767286582976497
Energy: 1.2064991119831712
Energy: 1.7276151629699636
Energy: 1.0959489541811818
Energy: 0.9735358801308676
Energy: 0.9767091764038319
Energy: 0.9734918757342399
Energy: 1.2065236509475399
Energy: 1.727766706017221
Energy: 1.0954065661382775
Energy: 1.0994988631038356
Energy: 1.1128032470694287
Energy: 1.0979485193468297
Energy: 1.2062385368355173
Energy: 1.6912371995635074
Energy: 1.0972925494401191
Energy: 1.0978921384600502
Energy: 1.1157556192556521
Energy: 1.0969418085971137
Energy: 1.2490450126758101
Energy: 1.7230502222767783
Energy: 1.2246853638224218
Energy: 1.1036809109326826
Energy: 1.110675291047994
Energy: 1.1014793203079982
Energy: 1.2245991616806657
Energy: 1.8005510106931184
Energy: 1.2192427071234095
Energy: 1.2670925449527806
Energy: 1.119241045775627
Energy: 1.2438067871342746
Energy: 1.2298810921864292
Energy: 1.6907220737656716
Energy: 1.2523037702999817
Energy: 1.2254670068509832
Energy: 1.22081082204368
Energy: 1.2270331739526896
Energy: 1.231115689784979
Energy: 1.6952797545968386
Energy: 1.2327885535428307
Energy: 1.2256942760232337
Energy: 1.2336184529921352
Energy: 1.2247612118388584
Energy: 1.2403465166116916
Energy: 1.5840823341487167
Energy: 1.233055377712803
Energy: 1.24670965702657
Energy: 1.2425727188919706
Energy: 1.241324705923554
Energy: 1.2324458888111403
Energy: 1.6856489372906573
Energy: 1.2434053108976049
Energy: 1.247184973934466
Energy: 1.2303565460570756
Energy: 1.247462681071742
Energy: 1.2440463355380842
Energy: 1.50938525895247
Energy: 1.214379857425421
Energy: 1.2328359027298903
Energy: 1.2315863734671548
Energy: 1.2423189086356536
Energy: 1.1899380654559042
Energy: 1.4981992572743286
Energy: 1.1887291637607198
Energy: 1.2408791427718047
Energy: 1.225809503291208
Energy: 1.1880800940956027
Energy: 1.1877929482564489
Energy: 1.503846181608114
Energy: 1.1882410391741252
Energy: 1.2407185276216088
Energy: 1.3232629862682828
Energy: 1.180354771190447
Energy: 1.1832082176704666
Energy: 1.3085907788018993
Energy: 1.1881019725338697
Energy: 1.2225881787161494
Energy: 1.2421075688405956
Energy: 1.1884998989678432
Energy: 1.2025878599668012
Energy: 1.2196581426997601
Energy: 1.1706886513945982
Energy: 1.1885640847292556
Energy: 1.2924452426647743
Energy: 1.1813006055984665
Energy: 1.170497498724644
Energy: 1.2011774984225514
Energy: 1.1486264461716473
Energy: 1.1947010948826189
Energy: 1.2589815915206304
Energy: 1.1491584472478842
Energy: 1.1490041723813877
Energy: 1.192649863858506
Energy: 1.1403133088516888
Energy: 1.1947482382137922
Energy: 1.2230711270223802
Energy: 1.1952083958930122
Energy: 1.140555768184203
Energy: 1.0394212204601707
Energy: 1.0244530976732071
Energy: 1.1944210984698418
Energy: 1.2226824788626576
Energy: 1.193939967476215
Energy: 1.0241622996158701
Energy: 1.052395806935091
Energy: 1.0383363121474614
Energy: 1.1966741345427512
Energy: 1.2694027892140012
Energy: 1.036940325504168
Energy: 1.0393862213929468
Energy: 1.0584910375193852
Energy: 1.0450622489832437
Energy: 1.2211795804933094
Energy: 1.2281881934857735
Energy: 1.0693841831558573
Energy: 1.0448069659739685
Energy: 1.073940774261924
Energy: 1.0712949697713752
Energy: 1.2193355036055757
Energy: 1.249822111108588
Energy: 1.0634185957011424
Energy: 1.0717754347976818
Energy: 1.1539677681514895
Energy: 1.0542549445646623
Energy: 1.2222266876876153
Energy: 1.287070830407053
Energy: 1.0690638886546684
Energy: 1.0564955079324778
Energy: 1.1471807245856118
Energy: 1.0532280195907906
Energy: 1.219375972233398
Energy: 1.2875886446667142
Energy: 1.053992912223351
Energy: 1.055502348899859
Energy: 1.152528794735444
Energy: 1.0720729539151899
Energy: 1.21836349251903
Energy: 1.2298300173470504
Energy: 1.2195430499685724
Energy: 1.051686706520551
Energy: 1.485030604866912
Energy: 1.219900503882803
Energy: 1.2172930187526942
Energy: 1.2292352765331436
Energy: 1.2170183385219977
Energy: 1.2219538105938295
Energy: 1.371082859709704
Energy: 1.2183849356899865
Energy: 1.2179585262831345
Energy: 1.3048192145238073
Energy: 1.2189432184745772
Energy: 1.2184237682186672
Energy: 1.4768418357848019
Energy: 1.2323983085142018
Energy: 1.2365102884329349
Energy: 1.2442722831485618
Energy: 1.237591955278
Energy: 1.2353498488870585
Energy: 1.4963119999345549
Energy: 1.2677769310782896
Energy: 1.238385438196611
Energy: 1.2309981011152031
Energy: 1.2495364383957723
Energy: 1.254346722860988
Energy: 1.7796273742962019
Energy: 1.2539458604488778
Energy: 1.268829772714685
Energy: 1.3346088104622464
Energy: 1.243733326246089
Energy: 1.2307484154277923
Energy: 1.698982254728118
Energy: 1.2481199760068087
Energy: 1.2284928419490504
Energy: 1.2378273831519067
Energy: 1.25414063315875
Energy: 1.238689525078495
Energy: 1.6890963357008402
Energy: 1.2286849123807468
Energy: 1.2211158568460019
Energy: 1.252302826013618
Energy: 1.2278396668313678
Energy: 1.2449935905802874
Energy: 1.7283378962511637
Energy: 1.2299434461948155
Energy: 1.2263938109205328
Energy: 1.2559696483450815
Energy: 1.2293068696704834
Energy: 1.2329608812990382
Energy: 1.777140168512898
Energy: 1.2208675005909488
Energy: 1.1214891146737138
Energy: 1.1208955683777055
Energy: 1.1829158703324585
Energy: 1.2254114044821671
Energy: 1.7044711545103226
Energy: 1.194877241625689
Energy: 1.0942545161027515
Energy: 1.0954510232747523
Energy: 1.0937376686697557
Energy: 1.25090426226892
Energy: 1.691901132650764
Energy: 1.1624554711256903
Energy: 1.098063235963939
Energy: 1.0973581936804004
Energy: 1.0972734311873318
Energy: 1.2180144708417124
Energy: 1.7224859772844892
Energy: 1.0939044291339397
Energy: 1.104842042577258
Energy: 0.9927440725999963
Energy: 1.0953796515781524
Energy: 1.2225033094314954

minimum gb energy = 0.9699815358520232 eV
minimum distance =  2.24037310510399 Angstroms
sigma value = 43


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

Energy: 1.9808434221905
Energy: 1.322482171565928
Energy: 1.0420627795168547
Energy: 1.041913029174291
Energy: 1.1965171036956703
Energy: 1.3472059630177766
Energy: 1.4454333878269188
Energy: 1.1908096366222933
Energy: 1.0428481432914116
Energy: 1.0404196670737367
Energy: 1.0457251966739807
Energy: 1.3232883734736591
Energy: 1.472741532701251
Energy: 1.1896430452212057
Energy: 1.0471400299468954
Energy: 1.0458781369931467
Energy: 1.0471780040207348
Energy: 1.3178642828997769
Energy: 1.710841216113421
Energy: 1.1894918968116694
Energy: 1.0393249530165214
Energy: 1.038872065260612
Energy: 1.0410702344359468
Energy: 1.326840615147312
Energy: 1.7139538904094485
Energy: 1.1893705812649902
Energy: 1.1999184509459533
Energy: 1.1957016191070655
Energy: 1.1867552482685937
Energy: 1.3332898667842705
Energy: 1.4760960329466124
Energy: 1.1889614039193637
Energy: 1.196005273991168
Energy: 1.1891582239459855
Energy: 1.1906332074508659
Energy: 1.3603211729224702
Energy: 1.5024875119999563
Energy: 1.3487865776271568
Energy: 1.1903494256981355
Energy: 1.1907818311346092
Energy: 1.1974701279105815
Energy: 1.3402792629092
Energy: 1.6764479993704506
Energy: 1.3316245810827465
Energy: 1.3591997320730778
Energy: 1.2617800041259872
Energy: 1.3383072571043622
Energy: 1.3319966667894758
Energy: 1.5017950947239747
Energy: 1.3558116070391162
Energy: 1.3349959598249899
Energy: 1.322940039031595
Energy: 1.3355170349452865
Energy: 1.3363621145550244
Energy: 1.4639227784097086
Energy: 1.3394562564254147
Energy: 1.3323420156922325
Energy: 1.3365370429466399
Energy: 1.334122148423652
Energy: 1.3441590352440032
Energy: 1.463936683144108
Energy: 1.3296094418890265
Energy: 1.3542812143392968
Energy: 1.3597706069985211
Energy: 1.3340152353531183
Energy: 1.3454216436564597
Energy: 1.6848921758488216
Energy: 1.3268454665805214
Energy: 1.3339081846827512
Energy: 1.342443902196533
Energy: 1.334079208575882
Energy: 1.3286609821492465
Energy: 1.234985360667538
Energy: 1.2139100025125389
Energy: 1.330317882949618
Energy: 1.3319569925030776
Energy: 1.3284973443432135
Energy: 1.1913230871897904
Energy: 1.2342952268034022
Energy: 1.1930154132230413
Energy: 1.360217275750504
Energy: 1.3546582401007758
Energy: 1.3200904512437897
Energy: 1.1898519123781959
Energy: 1.235769009377976
Energy: 1.189505064198427
Energy: 1.3166595983419984
Energy: 1.337916054057334
Energy: 1.217301253059102
Energy: 1.194202349079555
Energy: 1.0414787348781485
Energy: 1.199729567133489
Energy: 1.320757486235035
Energy: 1.3472478576140585
Energy: 1.1890969257828583
Energy: 1.1972552036026858
Energy: 1.0409712018996857
Energy: 1.0424165861970454
Energy: 1.3228317390561846
Energy: 1.3949426765329445
Energy: 1.1895426198092742
Energy: 1.0414628944398263
Energy: 1.0467135470993172
Energy: 1.0464068745313202
Energy: 1.3175398664518871
Energy: 1.393361590193423
Energy: 1.0658999590192384
Energy: 1.0469040149616105
Energy: 1.039530312864756
Energy: 1.0411567591397077
Energy: 1.1894134715149882
Energy: 1.332932490835418
Energy: 1.1888884740933465
Energy: 1.0393767286674356
Energy: 1.278208488954204
Energy: 1.1970527660012757
Energy: 1.1898287535000074
Energy: 1.3242000995841943
Energy: 1.1889321132718504
Energy: 1.197932052489927
Energy: 1.2359937204317013
Energy: 1.1866730327165342
Energy: 1.3179571235133096
Energy: 1.3427719355561225
Energy: 1.1889679727368363
Energy: 1.1895129988941127
Energy: 1.2616003700040288
Energy: 1.2001581226489184
Energy: 1.3399560517344375
Energy: 1.4525620612279408
Energy: 1.213433781749789
Energy: 1.1972635093842594
Energy: 1.2341987107315413
Energy: 1.343713565104149
Energy: 1.342936085145546
Energy: 1.3278290999846483
Energy: 1.344295236056722
Energy: 1.2146734561525583
Energy: 1.4271016304262112
Energy: 1.3493659729912149
Energy: 1.3346231183631154
Energy: 1.3697291298554404
Energy: 1.337016186790006
Energy: 1.3270789968658934
Energy: 1.4725524507857914
Energy: 1.3497310993894887
Energy: 1.3405351050033842
Energy: 1.3497613783919729
Energy: 1.3339252646388655
Energy: 1.345473524362329
Energy: 1.4637372851532953
Energy: 1.3339039356632982
Energy: 1.3311307492453077
Energy: 1.3370828051889547
Energy: 1.3351416437249823
Energy: 1.3324732332714115
Energy: 1.422072871803423
Energy: 1.3348629220531234
Energy: 1.326867875484779
Energy: 1.3445735966636527
Energy: 1.3290946620843964
Energy: 1.3343684599770615
Energy: 1.4275710393228107
Energy: 1.3276227156215918
Energy: 1.2143690729368175
Energy: 1.197095536379766
Energy: 1.3427850227576628
Energy: 1.3309069431394367
Energy: 1.4637275327073302
Energy: 1.3310687552199663
Energy: 1.1901760372167751
Energy: 1.1912078870406035
Energy: 1.190938904004013
Energy: 1.3618529639055197
Energy: 1.4646608000125645
Energy: 1.1931767804349174
Energy: 1.2129639615490808
Energy: 1.1883758650541862
Energy: 1.189186141306099
Energy: 1.3182948561421313
Energy: 1.924428541370285
Energy: 1.1904201552129798
Energy: 1.197321899726009
Energy: 1.197432318678832
Energy: 1.1919348340023805
Energy: 1.3074062697148812

minimum gb energy = 1.038872065260612 eV
minimum distance =  2.23061770138736 Angstroms
sigma value = 57


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

Energy: 1.7043951048148454
Energy: 1.4932030146449657
Energy: 1.1505458119497372
Energy: 1.1456140519916962
Energy: 1.326939037763511
Energy: 1.4936605857114924
Energy: 1.66315634662208
Energy: 1.3271871136698383
Energy: 1.1504003386866246
Energy: 1.1519114979162761
Energy: 1.149126486251285
Energy: 1.4742383522260953
Energy: 1.6923510806741486
Energy: 1.3280905700517835
Energy: 1.1501635647934239
Energy: 1.1465183179310607
Energy: 1.1507597660543263
Energy: 1.4537984720069028
Energy: 1.6740078213261675
Energy: 1.3253086954474995
Energy: 1.1543918269110085
Energy: 1.1425960468323768
Energy: 1.149290285754199
Energy: 1.452375971935036
Energy: 1.6790710717435307
Energy: 1.3214694929935493
Energy: 1.3270093850219074
Energy: 1.160600111048672
Energy: 1.3265443641416192
Energy: 1.4512658899735835
Energy: 1.6906975223259897
Energy: 1.327640681610375
Energy: 1.3155657454825482
Energy: 1.3202998047277341
Energy: 1.3161258912821292
Energy: 1.5025812875158349
Energy: 1.4089998014015592
Energy: 1.4808676125833198
Energy: 1.3383038197786574
Energy: 1.3295739936790087
Energy: 1.3220676251770023
Energy: 1.4850353722346263
Energy: 1.4011430602368908
Energy: 1.4534239150362178
Energy: 1.4886057666672208
Energy: 1.1492319359902214
Energy: 1.497439478689311
Energy: 1.4540942106846049
Energy: 1.4042812407802487
Energy: 1.4974903202144152
Energy: 1.4511685821718285
Energy: 1.4950797789311916
Energy: 1.50093786101855
Energy: 1.4872038071510532
Energy: 1.4025683422935067
Energy: 1.3243695405378613
Energy: 1.4530723755463364
Energy: 1.5900463834970557
Energy: 1.4539694755587085
Energy: 1.3298789551111205
Energy: 1.4104223330072703
Energy: 1.3294089651526393
Energy: 1.4535875544338295
Energy: 1.5225502749406088
Energy: 1.3273677662769379
Energy: 1.3450066958112958
Energy: 1.407708388714099
Energy: 1.3325609350187404
Energy: 1.3224833355924477
Energy: 1.5162659907483194
Energy: 1.3235625024756295
Energy: 1.3325348199158022
Energy: 1.1446310524549412
Energy: 1.1460209294807955
Energy: 1.4505019310619005
Energy: 1.4502501621619084
Energy: 1.3215023033044617
Energy: 1.1462610549340058
Energy: 1.1361867051491392
Energy: 1.1508630519533407
Energy: 1.4547094507060616
Energy: 1.5334873506687983
Energy: 1.16545353140437
Energy: 1.1679177878507543
Energy: 1.1386233655676852
Energy: 1.1491864170034598
Energy: 1.3425706947039617
Energy: 1.5273179557604537
Energy: 1.341829431747025
Energy: 1.1449842154053775
Energy: 1.1488145270369998
Energy: 1.3267565751544257
Energy: 1.4522532379556856
Energy: 1.4515776730654666
Energy: 1.3251001930057635
Energy: 1.1484458162961515
Energy: 1.402132804799829
Energy: 1.3274814963182322
Energy: 1.3434637504180524
Energy: 1.3291966049087798
Energy: 1.325701033538534
Energy: 1.3215687164609344
Energy: 1.4011976536548476
Energy: 1.326200253505793
Energy: 1.4920483334874568
Energy: 1.3346552811445078
Energy: 1.3223948744260723
Energy: 1.3373453523476306
Energy: 1.4053941679559383
Energy: 1.3355080934110952
Energy: 1.4822803831261737
Energy: 1.4812365650079673
Energy: 1.4542239275431534
Energy: 1.3345564171833282
Energy: 1.4078387145304796
Energy: 1.4743500750497802
Energy: 1.4544693250371898
Energy: 1.4759339344239448
Energy: 1.4540450849571676
Energy: 1.4990855512787447
Energy: 1.680283418825224
Energy: 1.4761328061188923
Energy: 1.3335538832238674
Energy: 1.332979582974806
Energy: 1.4740295371032714
Energy: 1.451399554167577
Energy: 1.408485377617961
Energy: 1.4542769688793422
Energy: 1.3313287845233133
Energy: 1.329009083333015
Energy: 1.321304998071305
Energy: 1.4956142217155894
Energy: 1.690417254037915
Energy: 1.3255130249240201
Energy: 1.3597284402027143
Energy: 1.3320579364029626
Energy: 1.3276577542482066
Energy: 1.4541071373009948
Energy: 1.144487590720611
Energy: 1.3223014399764548
Energy: 1.3271458547520885
Energy: 1.1505008887634993
Energy: 1.3272496252519
Energy: 1.449830026991779

minimum gb energy = 1.1361867051491392 eV
minimum distance =  2.229948884546 Angstroms
sigma value = 17


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

Energy: 2.323413492581608
Energy: 1.636705887377314
Energy: 1.2816486102815003
Energy: 1.4608620323788588
Energy: 1.4774911731713722
Energy: 1.6367397875464544
Energy: 1.264061269309816
Energy: 1.4911182414523723
Energy: 1.2695514797191074
Energy: 1.2681715915611709
Energy: 1.274469434641187
Energy: 1.6394482329113256
Energy: 1.2805912915797981
Energy: 1.4877231763861902
Energy: 1.2889009695486513
Energy: 1.2611690289221402
Energy: 1.2845506614345101
Energy: 1.646507522034023
Energy: 1.2507660171062345
Energy: 1.4783186508014572
Energy: 1.2744841158244153
Energy: 1.268464612305321
Energy: 1.4704169198875354
Energy: 1.4762778979228097
Energy: 1.2507264072211686
Energy: 1.4912379753271925
Energy: 1.4665770451796778
Energy: 1.2642212883771446
Energy: 1.468345729477723
Energy: 1.4910793220208358
Energy: 1.279985605848385
Energy: 1.4925838054964207
Energy: 1.4852409816779435
Energy: 1.224391989996772
Energy: 1.4879443546566369
Energy: 1.4803098470729745
Energy: 1.2695894858026928
Energy: 1.4670048592052798
Energy: 1.4726990644169797
Energy: 1.2682232528169952
Energy: 1.4747905380610526
Energy: 1.4660062592813388
Energy: 1.2717762167733735
Energy: 1.4869374536084465
Energy: 1.4952856810982538
Energy: 1.2825507273041659
Energy: 1.4865646706729236
Energy: 1.4842191910965228
Energy: 1.2686641824718954
Energy: 1.4699101522166689
Energy: 1.6383357739936415
Energy: 1.6300922968131935
Energy: 1.4768919850017634
Energy: 1.4687431944130442
Energy: 1.269245983262011
Energy: 1.278570393021491
Energy: 1.491237859118627
Energy: 1.271731761204922
Energy: 1.4686951275238076
Energy: 1.2698325174482725
Energy: 1.2574387663135704
Energy: 1.285347981604419
Energy: 1.4887941300874306
Energy: 1.2818006214229647
Energy: 1.2941472315318778
Energy: 1.285141375612072
Energy: 1.2535969381084981
Energy: 1.277664267657042
Energy: 1.492272471377831
Energy: 1.4498270774197257
Energy: 1.4671205991344165
Energy: 1.2744108898451318
Energy: 1.2850355376815508
Energy: 1.476880205070772
Energy: 1.4831792530101677
Energy: 1.450551249891569
Energy: 1.4814785292544612
Energy: 1.4711779703280425
Energy: 1.2239964331746187
Energy: 1.4858942647611773
Energy: 1.4947329134482388
Energy: 1.2822156967569172
Energy: 1.485521838196221
Energy: 1.2249984618787935
Energy: 1.2686324378374894
Energy: 1.466572619977732
Energy: 1.4668297223160491
Energy: 1.288091675610098
Energy: 1.3519047983859482
Energy: 1.466896491072302
Energy: 1.2815439204095516
Energy: 1.4871086338086281
Energy: 1.4871147027767158
Energy: 1.4682546602377955
Energy: 1.4933541810246234
Energy: 1.473501959235923
Energy: 1.2633254796016247
Energy: 1.475863699455335
Energy: 1.467194833538631
Energy: 1.2829338883646109
Energy: 1.4689239205496385
Energy: 1.6303946798410587

minimum gb energy = 1.2239964331746187 eV
minimum distance =  2.23224104624135 Angstroms
sigma value = 17


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

Energy: 1.6830603998307736
Energy: 1.5916715595804996
Energy: 1.3228157892030292
Energy: 1.5222061755110696
Energy: 1.33765201274506
Energy: 1.7722507585090148
Energy: 1.3428686904111211
Energy: 1.4667971367739618
Energy: 1.314481728224808
Energy: 1.3131599992299574
Energy: 1.3164043346097543
Energy: 1.4725374663230613
Energy: 1.3245194806856098
Energy: 1.4748506231701377
Energy: 1.3181119700677237
Energy: 1.3163676001967675
Energy: 1.3169471127950896
Energy: 1.6619680009657447
Energy: 1.8425176358689728
Energy: 1.6226458772832801
Energy: 1.321111578430991
Energy: 1.3417209262071124
Energy: 1.3189112474981732
Energy: 1.6219574361421227
Energy: 1.4349908490090657
Energy: 1.7007552599121274
Energy: 1.622015224403184
Energy: 1.3211257813434933
Energy: 1.7025520850996643
Energy: 1.621342084326591
Energy: 1.342364924794744
Energy: 1.3206143522227223
Energy: 1.6693653323867212
Energy: 1.688588644377813
Energy: 1.7225703402347696
Energy: 1.3361064675897354
Energy: 1.3305323586908238
Energy: 1.3416345358478265
Energy: 1.6234675494406643
Energy: 1.3232192144324302
Energy: 1.4757759358834814
Energy: 1.3339226606526786
Energy: 1.3107493038755134
Energy: 1.314158758297337
Energy: 1.4726636123909533
Energy: 1.3346336468329443
Energy: 1.3312705748237543
Energy: 1.3189663091714228
Energy: 1.3212016295875877
Energy: 1.3287924707433152
Energy: 1.5546966547300491
Energy: 1.6280545211874822
Energy: 1.4643032506960107
Energy: 1.3182022295010112
Energy: 1.500214055409463
Energy: 1.4615360619642666
Energy: 1.4670792653876363
Energy: 1.4186227631656845
Energy: 1.4674602379971107
Energy: 1.4619015029108173
Energy: 1.5014282301427342
Energy: 1.4692996553303295
Energy: 1.4913330103157059
Energy: 1.3241939094675013
Energy: 1.467000552831473
Energy: 1.465471192583721
Energy: 1.4205420922127145
Energy: 1.4682612296697068
Energy: 1.5563651187462868
Energy: 1.4194885325210809
Energy: 1.6335194139019165
Energy: 1.4678981041156924
Energy: 1.367036355548789
Energy: 1.6256010166391919
Energy: 1.6277247345382229
Energy: 1.4174731022823346
Energy: 1.625596381260527
Energy: 1.6537706818123001
Energy: 2.0064372354323505
Energy: 1.545565116214297
Energy: 1.5416943973413386
Energy: 1.2980605481103142
Energy: 1.5449988556743899
Energy: 1.7686325461739028
Energy: 1.5692491858742037
Energy: 1.5585036370237781
Energy: 1.2887985325584037
Energy: 1.29233003603861
Energy: 1.2893287851986126
Energy: 1.625048221920749
Energy: 1.3671373078389424
Energy: 1.299313343561846
Energy: 1.3089675229268216
Energy: 1.295300183557703
Energy: 1.300032585462339
Energy: 1.66587965101687
Energy: 1.8332533097939767
Energy: 1.6495222283012638
Energy: 1.2934373576024976
Energy: 1.2930166032990908
Energy: 1.2939284463125322
Energy: 1.6209723022465985
Energy: 1.8330438830561768
Energy: 1.6480482199685784
Energy: 1.5608777541861067
Energy: 1.304731317670788
Energy: 1.5577137514160346
Energy: 1.622280406991094
Energy: 1.546077187672044
Energy: 1.6272132051438288
Energy: 1.6202792270626256
Energy: 1.2909543100889562
Energy: 1.623490433584887
Energy: 1.3180867556348885
Energy: 1.500540175072061
Energy: 1.461879852492895
Energy: 1.5602135079485908
Energy: 1.4898628568585814
Energy: 1.6241688499416047
Energy: 1.4582355265864293
Energy: 1.4994546980160643
Energy: 1.4702021584291893
Energy: 1.4685872223263607
Energy: 1.3197152941726675
Energy: 1.4677159654200131
Energy: 1.4621292899670597
Energy: 1.4601554240121208
Energy: 1.4672282083441668
Energy: 1.5745584665365306
Energy: 1.5137444637431705
Energy: 1.4610616214174272
Energy: 1.3165191478778995
Energy: 1.3137149687579575
Energy: 1.3180999290411095
Energy: 1.4684558556893874
Energy: 1.6583580665848172
Energy: 1.4699490929191439
Energy: 1.3168097744459781
Energy: 1.3120927830093942
Energy: 1.3240933295599209
Energy: 1.4839542580767862
Energy: 1.3262851976281054
Energy: 1.3258828773887468
Energy: 1.316500710118322
Energy: 1.3266887304512847
Energy: 1.3156166839157761
Energy: 1.6209909485365899
Energy: 1.4219467705408642
Energy: 1.6200287967766747
Energy: 1.3178249054393476
Energy: 1.3296998858726023
Energy: 1.7186820063454347
Energy: 1.6246757779564562
Energy: 1.4166213780678807
Energy: 1.6270080213873108
Energy: 1.6870362758931834
Energy: 2.0137226200706184
Energy: 1.6232249866982582
Energy: 1.717677877449689
Energy: 1.3275657521869304
Energy: 1.719207215717444
Energy: 1.6697872545916108
Energy: 2.0274123956993977
Energy: 1.6218155698955563
Energy: 1.3216078756336906
Energy: 1.3215244159644293
Energy: 1.3223738380953356
Energy: 1.6217179121123397
Energy: 1.3233329230983675
Energy: 1.317442642666929
Energy: 1.3430956317914458
Energy: 1.3087733944020261
Energy: 1.3181637570919786
Energy: 1.4538948151898543
Energy: 1.8328660237233374
Energy: 1.4670264739020464
Energy: 1.3193442850929697
Energy: 1.314592640447455
Energy: 1.3154969217918817
Energy: 1.6233346034532985
Energy: 1.8361022459018645
Energy: 1.4653400530656004
Energy: 1.465563805114021
Energy: 1.494966396482229
Energy: 1.4674873791089684
Energy: 1.6294297186533624
Energy: 1.3400594496591163
Energy: 1.4650792826153491
Energy: 1.4616526901483562
Energy: 1.3153066883426903
Energy: 1.4750331731580069
Energy: 1.46997853558624
Energy: 1.4887446288784318
Energy: 1.5586270665389172
Energy: 1.4613591076955996
Energy: 1.455549427109479
Energy: 1.4625472321717359
Energy: 1.5605448595389282
Energy: 1.839195199411838
Energy: 1.62325215005301
Energy: 1.529905155462794
Energy: 1.3670374897895061
Energy: 1.625560240204685
Energy: 1.6238242472787454
Energy: 1.323334760040532
Energy: 1.5611821387514628
Energy: 1.6884626591165426
Energy: 1.5452136888908987
Energy: 1.6462934319937073
Energy: 1.559670993376205
Energy: 1.3045800767204956
Energy: 1.293330187893655
Energy: 1.634633028017469
Energy: 1.5447231109039812
Energy: 1.5553281662109162
Energy: 1.293194563597981
Energy: 1.2902262602162402
Energy: 1.2956154621935274
Energy: 1.5877424316118538
Energy: 1.366398726573964
Energy: 1.300479542299028
Energy: 1.2935928242641122
Energy: 1.2995434467492453
Energy: 1.2933687615595697
Energy: 1.6243136189263514
Energy: 1.315955761194453
Energy: 1.4177338487379245
Energy: 1.292132343852913
Energy: 1.377807554757263
Energy: 1.5424846493071631
Energy: 1.7182576191152714
Energy: 1.6244081691013774
Energy: 1.5457839721135487
Energy: 1.30202010658553
Energy: 1.6678096021140174
Energy: 1.624479560240442
Energy: 1.6243058478209884
Energy: 1.37135467348021
Energy: 1.6250492437275037
Energy: 1.643494053122915
Energy: 1.4902031071197157
Energy: 1.6471296871834826
Energy: 1.4666438895437275
Energy: 1.5064612040267404
Energy: 1.5028888611700186
Energy: 1.5560000194375263
Energy: 1.4833578613365808
Energy: 1.509731459217964
Energy: 1.4613165906022545
Energy: 1.3101958210692712
Energy: 1.4617652150842861
Energy: 1.5753742252762162
Energy: 1.6572739364406945
Energy: 1.4698687788073057
Energy: 1.4659042815022856
Energy: 1.50041865244633
Energy: 1.4641604192211684
Energy: 1.574730237091356

minimum gb energy = 1.2887985325584037 eV
minimum distance =  2.16799912033966 Angstroms
sigma value = 57


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

Energy: 1.9554433359106667
Energy: 1.7950987220226398
Energy: 1.349635937709433
Energy: 1.5243761823584974
Energy: 1.6836308127644908
Energy: 1.8131895269552518
Energy: 1.3968884638392203
Energy: 1.5249600328727284
Energy: 1.3706587341697425
Energy: 1.331461614662128
Energy: 1.3790663842238642
Energy: 1.5219429957670616
Energy: 1.352907570626482
Energy: 1.5180673313383268
Energy: 1.357837163774378
Energy: 1.3298046253352112
Energy: 1.3594137694881665
Energy: 1.6900623290620977
Energy: 1.6440783558897978
Energy: 1.6831611518655274
Energy: 1.4023451351892835
Energy: 1.3667413619090707
Energy: 1.3597234055900522
Energy: 1.6864637107201756
Energy: 1.6564626259749524
Energy: 1.6676584776711387
Energy: 1.685244024484695
Energy: 1.654063008966472
Energy: 1.6685811716512045
Energy: 1.6665172871641099
Energy: 1.3596349135374448
Energy: 1.3835105185008343
Energy: 1.6496005979130204
Energy: 1.644869996647785
Energy: 1.7305322121306739
Energy: 1.3666324238613516
Energy: 1.3383712031739394
Energy: 1.3444001299902222
Energy: 1.6970637702493263
Energy: 1.6681039022006567
Energy: 1.54959672235976
Energy: 1.3505605552526723
Energy: 1.34085174828666
Energy: 1.3482646848053959
Energy: 1.5638106846105593
Energy: 1.3502911015527272
Energy: 1.3458603648526144
Energy: 1.3535457791795826
Energy: 1.345825401522655
Energy: 1.3571303420109413
Energy: 1.6724147706196815
Energy: 1.5167862754273242
Energy: 1.535669053947401
Energy: 1.3558866495451556
Energy: 1.6547812638159771
Energy: 1.5192453967613202
Energy: 1.5240042861803238
Energy: 1.3425525680595445
Energy: 1.518717163796458
Energy: 1.536803743669935
Energy: 1.3620080984456626
Energy: 1.5175235223672905
Energy: 1.5635967354401477
Energy: 1.3627807097224076
Energy: 1.5174753268162438
Energy: 1.5128945510030734
Energy: 1.355715291511566
Energy: 1.5191707087257116
Energy: 1.5182131671661083
Energy: 1.3412441302728435
Energy: 1.522393312517164
Energy: 1.5446851125087748
Energy: 1.371351780767996
Energy: 1.5220252937189453
Energy: 1.5184228244489306
Energy: 1.3498620694465
Energy: 1.5209447338890423
Energy: 1.5483517974763166
Energy: 1.945034585883659
Energy: 1.6264320123694085
Energy: 1.598433680943296
Energy: 1.3607295597682103
Energy: 1.5846323245681275
Energy: 1.8165276602813412
Energy: 1.3631642572885447
Energy: 1.5227512004198978
Energy: 1.3623659853164103
Energy: 1.3370482058428148
Energy: 1.3668540720346405
Energy: 1.5212486948119759
Energy: 1.3546748547844367
Energy: 1.5658390713350516
Energy: 1.3535754680936023
Energy: 1.3251889891123
Energy: 1.3570495204092876
Energy: 1.6947298762509835
Energy: 1.643575774985957
Energy: 1.6810582588821987
Energy: 1.3545317409477753
Energy: 1.358254698709292
Energy: 1.3488611050880577
Energy: 1.6766562028767056
Energy: 1.6568267833289667
Energy: 1.6842139514431782
Energy: 1.6929815272492958
Energy: 1.361135390886137
Energy: 1.685384991080062
Energy: 1.6700188991194787
Energy: 1.34364908967956
Energy: 1.729656622200033
Energy: 1.6484845174160876
Energy: 1.6462351936587603
Energy: 1.7312938633812653
Energy: 1.3552215847602045
Energy: 1.3365301063979724
Energy: 1.3546902565282382
Energy: 1.6684408972110794
Energy: 1.6582215885452967
Energy: 1.5462048070331404
Energy: 1.3335891675817837
Energy: 1.3354505163148813
Energy: 1.3519211244410332
Energy: 1.5560665960996263
Energy: 1.3565632161709433
Energy: 1.3637571969480298
Energy: 1.3355073902692993
Energy: 1.3421010583920714
Energy: 1.3597127282454862
Energy: 1.6711076595609176
Energy: 1.5467782647144366
Energy: 1.5206196955379627
Energy: 1.3498737738536344
Energy: 1.3652137756651248
Energy: 1.525816413359305
Energy: 1.525811737564124
Energy: 1.3448141372343685
Energy: 1.5189949767332487
Energy: 1.5469535081688774
Energy: 1.3661589608778204
Energy: 1.5199417663405206
Energy: 1.5924609785584753
Energy: 1.3651638398491066
Energy: 1.5222663472899443
Energy: 1.5138583739921856
Energy: 1.359893893529269
Energy: 1.5478971254844625
Energy: 1.519936777360075
Energy: 1.3437465305177565
Energy: 1.5722946565866014
Energy: 1.5493607425232785
Energy: 1.3730100352338284
Energy: 1.515387404800627
Energy: 1.518844601205166
Energy: 1.33616314784556
Energy: 1.5247935189663615
Energy: 1.4957003109340048
Energy: 1.9382357417744418
Energy: 1.5309479122764997
Energy: 1.6101265128322606
Energy: 1.3554517349458093
Energy: 1.5471932286853503
Energy: 1.6541181628055246

minimum gb energy = 1.3251889891123 eV
minimum distance =  2.17444477784493 Angstroms
sigma value = 43


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

Energy: 1.4023189007834405
Energy: 1.7105367809884942
Energy: 1.3875777318034315
Energy: 1.3826354682329258
Energy: 1.6344204938997295
Energy: 1.7532679453807016
Energy: 1.4105552932852146
Energy: 1.3813947864160803
Energy: 1.380376375917814
Energy: 1.3715195677548933
Energy: 1.3902050000306383
Energy: 1.529360927904767
Energy: 1.5124460182244714
Energy: 1.6960382668210858
Energy: 1.3786824856512172
Energy: 1.3731724647631192
Energy: 1.381785875489451
Energy: 1.6652498891701912
Energy: 1.6126285864546903
Energy: 1.6686411484233301
Energy: 1.39509752951739
Energy: 1.3910266910913711
Energy: 1.5485670857515053
Energy: 1.6658117963077557
Energy: 1.6116314486708208
Energy: 1.6648507659342568
Energy: 1.6621735617556923
Energy: 1.40945325726083
Energy: 1.663301059212279
Energy: 1.6655037282300194
Energy: 1.359517905855656
Energy: 1.3685069404063273
Energy: 1.7587553820552873
Energy: 1.3253460371430092
Energy: 1.5834069576329475
Energy: 1.3691435609397364
Energy: 1.3420340880031938
Energy: 1.3531406861843456
Energy: 1.6624937258504555
Energy: 1.4491318283939278
Energy: 1.3452592566275592
Energy: 1.348921793636536
Energy: 1.3424650887795468
Energy: 1.347215835168757
Energy: 1.545831713291599
Energy: 1.4466429883504863
Energy: 1.3462120899058905
Energy: 1.3451903847082258
Energy: 1.3650624224796348
Energy: 1.3692617706010315
Energy: 1.66712904517866
Energy: 1.5325799286632744
Energy: 1.718104944123708
Energy: 1.3598448506280885
Energy: 1.6144657405283864
Energy: 1.6657901019130785
Energy: 1.6655006671845005
Energy: 1.4468164329801472
Energy: 1.6618410773829235
Energy: 1.665866873634759
Energy: 1.8285401417182812
Energy: 1.6618220678735725
Energy: 1.3906749629879807
Energy: 1.390522075274044
Energy: 1.5379017536431492
Energy: 1.615860854615391
Energy: 1.615880421239777
Energy: 1.694639016950737
Energy: 1.3776141254515275
Energy: 1.375387811139905
Energy: 1.3780229576492864
Energy: 1.665490361850681
Energy: 1.515335060750989
Energy: 1.376713886081842
Energy: 1.374051700598945
Energy: 1.3727801111861382
Energy: 1.3728483374212612
Energy: 1.5804888347586408
Energy: 1.612372484081128
Energy: 1.5618021668628224
Energy: 1.3903275517348361
Energy: 1.3891026237887638
Energy: 1.389411146477177
Energy: 1.5733508626381094
Energy: 1.449921460420516
Energy: 1.5294783438264412
Energy: 1.5292328731952838
Energy: 1.3744718528014885
Energy: 1.5273607270477005
Energy: 1.5272955880280814
Energy: 1.6156208072744314
Energy: 1.5256815117258895
Energy: 1.526805819440919
Energy: 1.3727559843033392
Energy: 1.526288072350206
Energy: 1.5259477943349402
Energy: 1.6149629643802734
Energy: 1.528946169636458
Energy: 1.5477452680991892
Energy: 1.5137021645330329
Energy: 1.4877852253984583
Energy: 1.52403752004203
Energy: 1.6135206543588
Energy: 1.526552892677311
Energy: 1.5258087399715017
Energy: 1.4079381055340396
Energy: 1.5264950843789773
Energy: 1.5272454648006877
Energy: 1.567833095373832
Energy: 1.6333413495078466
Energy: 1.3789241731232744
Energy: 1.7526238708864907
Energy: 1.3758433846190123
Energy: 1.3825589388408022
Energy: 1.3707687529843597
Energy: 1.3983965050568306
Energy: 1.5274562779753402
Energy: 1.407434976057974
Energy: 1.3809738172413557
Energy: 1.3749841640585105
Energy: 1.3712791146113792
Energy: 1.3768007331412013
Energy: 1.6874042677950025
Energy: 1.5150988837649069
Energy: 1.378941961861134
Energy: 1.3779309582240722
Energy: 1.3895958821694234
Energy: 1.3943466852163784
Energy: 1.6660913502608206
Energy: 1.469786418027354
Energy: 1.6608374302927733
Energy: 1.3942068549665545
Energy: 1.4081609128628956
Energy: 1.6614813716859305
Energy: 1.6666485441198797
Energy: 1.3745524290581908
Energy: 1.666552089094636
Energy: 1.6606720512575879
Energy: 1.8222824380604283
Energy: 1.5838571121882197
Energy: 1.383569747965128
Energy: 1.367699750103567
Energy: 1.5843888116322324
Energy: 1.7615649895312708
Energy: 1.4540175140465732
Energy: 1.5462088559104987
Energy: 1.345308961769079
Energy: 1.3435289596304807
Energy: 1.3447603879145444
Energy: 1.6978922265109844
Energy: 1.446758015718475
Energy: 1.5455800734566418
Energy: 1.3443972082855618
Energy: 1.3435945952204758
Energy: 1.345858865503194
Energy: 1.7509696388663352
Energy: 1.607138163704899
Energy: 1.666405770540744
Energy: 1.3716812651564985
Energy: 1.3610791675734328
Energy: 1.367029857415021
Energy: 1.6406418628748032
Energy: 1.6451539526654975
Energy: 1.6622959553815928
Energy: 1.6661743258212538
Energy: 1.3757654488006112
Energy: 1.6649409259978951
Energy: 1.6617486971230604
Energy: 1.3883539466569397
Energy: 1.3945723933685763
Energy: 1.669354062947946
Energy: 1.6206091858161922
Energy: 1.6934760004131018
Energy: 1.3894320788621288
Energy: 1.3749769492968258
Energy: 1.3889193391829513
Energy: 1.6642204716168323
Energy: 1.6150311077158743
Energy: 1.5636452180910942
Energy: 1.376910483730387
Energy: 1.3713366557534485
Energy: 1.3738574551429141
Energy: 1.5288217006335618
Energy: 1.4120652872806587
Energy: 1.3736267470305559
Energy: 1.3754575649580267
Energy: 1.3917074660422448
Energy: 1.3907361070251678
Energy: 1.724624175068432
Energy: 1.5061946046292616
Energy: 1.3924373624612016
Energy: 1.3968306962556634
Energy: 1.6239066041849672
Energy: 1.5298020312835077
Energy: 1.5261361753652443
Energy: 1.447829280129137
Energy: 1.52649223981264
Energy: 1.5285116682995703
Energy: 1.4041195661086552
Energy: 1.5280571817767308
Energy: 1.5280342039336086
Energy: 1.6181808481153976
Energy: 1.5874409820166346
Energy: 1.5249576510314067
Energy: 1.512790085023696
Energy: 1.5252925232854326
Energy: 1.5271637450040474
Energy: 1.3735346554101633
Energy: 1.525978536938603
Energy: 1.5476741269663803
Energy: 1.40572081243926
Energy: 1.5272023428642076
Energy: 1.52877137861961
Energy: 1.377832502256387
Energy: 1.5263102571099165
Energy: 1.5800218773555539

minimum gb energy = 1.3253460371430092 eV
minimum distance =  2.20425267710634 Angstroms
sigma value = 81


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

Energy: 1.3460203927862309
Energy: 1.3726647245713177
Energy: 1.5605785020704441
Energy: 1.5600082747224968
Energy: 1.6234194773767934
Energy: 1.3732273081104955
Energy: 1.3795815389624517
Energy: 1.4320361979049676
Energy: 1.379656078686627
Energy: 1.3811700765603785
Energy: 1.39039631925228
Energy: 1.4312305811937516
Energy: 1.4414628194827641
Energy: 1.4329694503904926
Energy: 1.3771610655232958
Energy: 1.3786707552265296
Energy: 1.379784864805168
Energy: 1.4307436966765454
Energy: 1.4402673659501126
Energy: 1.430958013789245
Energy: 1.3794997824932747
Energy: 1.3797273957690852
Energy: 1.431795929914751
Energy: 1.4366147793959558
Energy: 1.4391100881159145
Energy: 1.4341636376631888
Energy: 1.431088575336629
Energy: 1.372893014372627
Energy: 1.4341940532902009
Energy: 1.4336563923382752
Energy: 1.3969736660081982
Energy: 1.5556180147018688
Energy: 1.373992151151903
Energy: 1.3533907891063557
Energy: 1.431486122658736
Energy: 1.3851713859041772
Energy: 1.3913910454344933
Energy: 1.3977413100780292
Energy: 1.4305789220518084
Energy: 1.380447983186229
Energy: 1.5590006056416321
Energy: 1.38347058657932
Energy: 1.3916367777741283
Energy: 1.3800498210745966
Energy: 1.4305127364884986
Energy: 1.430581413979312
Energy: 1.4309018516919798
Energy: 1.3870130213314584
Energy: 1.5637983579700185
Energy: 1.3831489424530097
Energy: 1.4315116118186155
Energy: 1.4380856145186682
Energy: 1.4339741771407688
Energy: 1.3818981364175011
Energy: 1.3818158043839193
Energy: 1.4344095886654973
Energy: 1.4307858515519036
Energy: 1.4333384999403826
Energy: 1.4341700159934845
Energy: 1.4304566838893855

minimum gb energy = 1.3460203927862309 eV
minimum distance =  2.24528091546555 Angstroms
sigma value = 3


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

Energy: 1.634195715407874
Energy: 1.4315795666892468
Energy: 1.4980857254090116
Energy: 1.558041702454682
Energy: 1.492034838692415
Energy: 1.771317519411913
Energy: 1.6728166686365564
Energy: 1.3567383455555082
Energy: 1.4962327724506008
Energy: 1.4914736200011849
Energy: 1.3555851740116984
Energy: 1.5444251918460532
Energy: 1.5175247603437443
Energy: 1.4237971006335552
Energy: 1.3545702567970692
Energy: 1.4909503518248235
Energy: 1.357269162915717
Energy: 1.4918451816090528
Energy: 1.4887100168770828
Energy: 1.5232593605389992
Energy: 1.3694074171336281
Energy: 1.5133795078060281
Energy: 1.5121890969520395
Energy: 1.5168375180376235
Energy: 1.487595247331584
Energy: 1.521629558735571
Energy: 1.6311794199136918
Energy: 1.7091537329772883
Energy: 1.5519746405339094
Energy: 1.5083820127721912
Energy: 1.6107798723450168
Energy: 1.4887714148112963
Energy: 1.6075039211390008
Energy: 1.6808665402054028
Energy: 1.5061203026505223
Energy: 1.5614103888743112
Energy: 1.6244752093327686
Energy: 1.5202746220926997
Energy: 1.7395161143091733
Energy: 1.5142437608277517
Energy: 1.6937904704246538
Energy: 1.5244637555917098
Energy: 1.6252902851048714
Energy: 1.525277690111139
Energy: 1.367289462247215
Energy: 1.361807115108146
Energy: 1.3595357742837366
Energy: 1.5235119178164795
Energy: 1.7125678391788326
Energy: 1.3587850087019382
Energy: 1.3561723865191018
Energy: 1.3378302720370598
Energy: 1.357554338091359
Energy: 1.7027009508793736
Energy: 1.7132770790749696
Energy: 1.3604981071746276
Energy: 1.3561075613544518
Energy: 1.3634183683338528
Energy: 1.352840915160185
Energy: 1.6257043968924298
Energy: 1.60558165455393
Energy: 1.6012115622154737
Energy: 1.61898118087296
Energy: 1.3309570085154063
Energy: 1.6203797574046181
Energy: 1.731547225894995
Energy: 1.7125900705515928
Energy: 1.673392458128644
Energy: 1.361365626506969
Energy: 1.7425601820798478
Energy: 1.7269165755099019
Energy: 1.736777735941811
Energy: 1.3286321493628734
Energy: 1.3576599962516238
Energy: 1.3560728290256538
Energy: 1.7429864969073707
Energy: 1.356798923030112
Energy: 1.3670443168389121
Energy: 1.3256127865702336
Energy: 1.3543337692309554
Energy: 1.3619754032845097
Energy: 1.7120774269886343
Energy: 1.3575336005123166
Energy: 1.3445878121388501
Energy: 1.3291806868180625
Energy: 1.3576480983379406
Energy: 1.3579093580425003
Energy: 1.6998259215003977
Energy: 1.4973269809409713
Energy: 1.3627809299147031
Energy: 1.3574466506196288
Energy: 1.580509904863013
Energy: 1.7385573502669853
Energy: 1.6998194109937943
Energy: 1.5762633908012456
Energy: 1.5125554794357612
Energy: 1.6682181653877532
Energy: 1.5001134175320077
Energy: 1.7205168587908568
Energy: 1.6177265475690743
Energy: 1.5036859507893823
Energy: 1.362815423990908
Energy: 1.7457802410971734
Energy: 1.3552442938077363
Energy: 1.5098265703632197
Energy: 1.4919865320963186
Energy: 1.3536055088575558
Energy: 1.6767797197988714
Energy: 1.511375113054361
Energy: 1.5143120606988207
Energy: 1.519855401409868
Energy: 1.5151105897245798
Energy: 1.5208802497907064
Energy: 1.492631639928638
Energy: 1.488525562579063
Energy: 1.3614666376579017
Energy: 1.361678893425588
Energy: 1.4951466716804802
Energy: 1.352721709512383
Energy: 1.5187953843455215
Energy: 1.4870618053826814
Energy: 1.520169559874285
Energy: 1.5388535770834202
Energy: 1.5122263381534067
Energy: 1.518361556959523
Energy: 1.5249468070386902
Energy: 1.4902749728714022
Energy: 1.4942435297263963
Energy: 1.5859023828030174
Energy: 1.533308980451189
Energy: 1.4993520444390613
Energy: 1.4914218143320512
Energy: 1.6982039149792505
Energy: 1.5140026364187638
Energy: 1.6320658990140149
Energy: 1.7094163736929555
Energy: 1.6970112633189232
Energy: 1.7206355234646278
Energy: 1.6273839387464917
Energy: 1.7454053456030905
Energy: 1.3720047171313752
Energy: 1.3660762559488828
Energy: 1.6072064898951297
Energy: 1.678846135260712
Energy: 1.6985227231107527
Energy: 1.4971285682096103
Energy: 1.3528822896307093
Energy: 1.355985081030785
Energy: 1.3583554104700348
Energy: 1.7204394777439616
Energy: 1.7143354319537054
Energy: 1.3537827170275993
Energy: 1.3588748411501024
Energy: 1.3527561468254259
Energy: 1.3545562686028583
Energy: 1.466912435008767
Energy: 1.6063588724339437
Energy: 1.6019576624022607
Energy: 1.365680405065627
Energy: 1.3698977063306383
Energy: 1.5357967046591432
Energy: 1.7342072603550003
Energy: 1.713323174107811
Energy: 1.5361896601610907
Energy: 1.5376614622743694
Energy: 1.7433222388974736
Energy: 1.5359818103065288
Energy: 1.6673270447698931
Energy: 1.3289941101367202
Energy: 1.3615388491223608
Energy: 1.7651476100292371
Energy: 1.3226442445566318
Energy: 1.5910195959964117
Energy: 1.3679842701272606
Energy: 1.327944543465611
Energy: 1.3560252517602234
Energy: 1.3525927316403832
Energy: 1.7129926935250919
Energy: 1.3547939487241636
Energy: 1.3527097277527635
Energy: 1.329858294126376
Energy: 1.3573907785913097
Energy: 1.4976228541208794
Energy: 1.7039384796492063
Energy: 1.3562683713839792
Energy: 1.357082708265834
Energy: 1.359805609899554
Energy: 1.5138333706216471
Energy: 1.7365220417691585
Energy: 1.7388644848954868
Energy: 1.5730412177523345
Energy: 1.3710224505085198
Energy: 1.672875572026477
Energy: 1.631960815396542
Energy: 1.5088628516823372
Energy: 1.699577051143258
Energy: 1.354658498009901
Energy: 1.6761464279459068

minimum gb energy = 1.3226442445566318 eV
minimum distance =  2.22112276961312 Angstroms
sigma value = 67


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

Energy: 1.7921128788881666
Energy: 1.8553739735522508
Energy: 1.6138456528726688
Energy: 1.5094435524455436
Energy: 1.8547206812364374
Energy: 1.8540637566584244
Energy: 1.6760747620350667
Energy: 1.4413713804143005
Energy: 1.477100429777256
Energy: 1.4737822698594083
Energy: 1.4358579182675026
Energy: 1.5093749580610738
Energy: 1.4891949704404186
Energy: 1.3408088604457948
Energy: 1.5225318450692327
Energy: 1.472075290738631
Energy: 1.4377099141309455
Energy: 1.4729628974152056
Energy: 1.4741447087866448
Energy: 1.5354734586655405
Energy: 1.365691550666238
Energy: 1.4691641457367868
Energy: 1.343938412627085
Energy: 1.504514481360798
Energy: 1.4903455705489261
Energy: 1.555202320335743
Energy: 1.6865290898271659
Energy: 1.4867720743204151
Energy: 1.5346894464574188
Energy: 1.4778137392093604
Energy: 1.538712943921386
Energy: 1.5574944347790398
Energy: 1.804813846832497
Energy: 1.5042769252673784
Energy: 1.7987177076345238
Energy: 1.5500645807566489
Energy: 1.6585588326178264
Energy: 1.544513912486219
Energy: 1.5062817552592052
Energy: 1.4786565389584765
Energy: 1.5678243998033452
Energy: 1.5465295549237548
Energy: 1.6592966552925033
Energy: 1.5411509001919281
Energy: 1.3263678430200139
Energy: 1.3014057917353485
Energy: 1.3492255186414817
Energy: 1.7355759430710513
Energy: 1.6747287497042418
Energy: 1.2817458467724872
Energy: 1.2851348945037302
Energy: 1.283094409766348
Energy: 1.28155957249413
Energy: 1.6746912032121717
Energy: 1.7019773001419436
Energy: 1.463154643883998
Energy: 1.318731528484192
Energy: 1.2995496608006967
Energy: 1.3531106516971032
Energy: 1.5879760670982705
Energy: 1.6934060544572604
Energy: 1.8192486463857145
Energy: 1.610194130870691
Energy: 1.2986767676035793
Energy: 1.7248850753873783
Energy: 1.5703663320975534
Energy: 1.6762545325587657
Energy: 1.7839814808115753
Energy: 1.2894004962747887
Energy: 1.6674784788691763
Energy: 1.4392323683025539
Energy: 1.6868574554937057
Energy: 1.470559852270681
Energy: 1.472844505424788
Energy: 1.2800398525946635
Energy: 1.6594033429816046
Energy: 1.4629990669286936
Energy: 1.522907341033055
Energy: 1.4714126701332575
Energy: 1.5100715576728923
Energy: 1.342845588931257
Energy: 1.4902808086178567
Energy: 1.437980817342818
Energy: 1.5054643713086993
Energy: 1.4738201880735755
Energy: 1.4474753596348395
Energy: 1.5279781280296683
Energy: 1.4855171730521133
Energy: 1.4621052057515005
Energy: 1.5268581507456807
Energy: 1.4719680071643393
Energy: 1.43621013060893
Energy: 1.5064584385456168
Energy: 1.4709599745389361
Energy: 1.5434872513283522
Energy: 1.500356144131688
Energy: 1.6984017768588835
Energy: 1.44609349086534
Energy: 1.5195552814464115
Energy: 1.4971675221702039
Energy: 1.526376639462409
Energy: 1.5696061161589014
Energy: 1.688748446465621
Energy: 1.462739945644369
Energy: 1.5471145595912321
Energy: 1.6875417293177697
Energy: 1.5469352857490777
Energy: 1.3151797244658285
Energy: 1.282644101065442
Energy: 1.3289903953431976
Energy: 1.7268255463291884
Energy: 1.7342324373925595
Energy: 1.8061730689061999
Energy: 1.3467873581873107
Energy: 1.2964628851031965
Energy: 1.3174346497921423
Energy: 1.437855889846259
Energy: 1.690202132918319
Energy: 1.3153639818710752
Energy: 1.309214095349031
Energy: 1.279510606525685
Energy: 1.2829779283615141
Energy: 1.2867111331357315
Energy: 1.678356065727187
Energy: 1.3077150883361224
Energy: 1.2837546442935344
Energy: 1.300019561316114
Energy: 1.3148158876482647
Energy: 1.8189299505154228
Energy: 1.4717893789210432
Energy: 1.7203768493741636
Energy: 1.3073942058190577
Energy: 1.6559412085623244
Energy: 1.4689087039054236
Energy: 1.5165130234814423
Energy: 1.6859730822043464
Energy: 1.4377439505953382
Energy: 1.3649439523396005

minimum gb energy = 1.279510606525685 eV
minimum distance =  2.22047093787771 Angstroms
sigma value = 33


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

Energy: 1.8574506619702118
Energy: 1.7621944959406497
Energy: 1.6020227701214267
Energy: 1.5954725313381166
Energy: 1.5876391037179298
Energy: 1.8777195938140427
Energy: 1.4484830829785713
Energy: 1.410854367349281
Energy: 1.5915402471295037
Energy: 1.555016252794131
Energy: 1.476631166327693
Energy: 1.4770030086394363
Energy: 1.3484455281358247
Energy: 1.373661697838603
Energy: 1.5863195984885328
Energy: 1.4632972264669855
Energy: 1.4730943594555042
Energy: 1.3469098664859804
Energy: 1.3344684694271323
Energy: 1.3629464727536078
Energy: 1.3664983283926786
Energy: 1.554017974463975
Energy: 1.3429937906980771
Energy: 1.3605117110225688
Energy: 1.3466560735232753
Energy: 1.3366601866809091
Energy: 1.474204675762962
Energy: 1.481442404328588
Energy: 1.4069213026305825
Energy: 1.3484517857436422
Energy: 1.3489763515759086
Energy: 1.5066729463209423
Energy: 1.698530733845932
Energy: 1.6282502954740825
Energy: 1.685693807568184
Energy: 1.36532035755508
Energy: 1.6065569118464313
Energy: 1.3777832216977957
Energy: 1.6934569082397835
Energy: 1.4832996905357958
Energy: 1.6653077195323858
Energy: 1.4375633270649673
Energy: 1.6060064177946118
Energy: 1.3656671327528846
Energy: 1.3411353297915258
Energy: 1.3465647944455983
Energy: 1.3401678586893842
Energy: 1.491622487879807
Energy: 1.5846626088611304
Energy: 1.2467478405160568
Energy: 1.37055041863607
Energy: 1.3321679178816408
Energy: 1.3637520586796679
Energy: 1.5301522256248552
Energy: 1.5466810449110868
Energy: 1.3633506996005689
Energy: 1.375563836514695
Energy: 1.3337017049689803
Energy: 1.339802752281258
Energy: 1.5475415432663748
Energy: 1.5467423585263413
Energy: 1.6424621229850571
Energy: 1.3596632871291332
Energy: 1.350681553566862
Energy: 1.4380128098034295
Energy: 1.638948886132335
Energy: 1.55317252992426
Energy: 1.5484898246437089
Energy: 1.2400954856826742
Energy: 1.4889161455760909
Energy: 1.3402658993798342
Energy: 1.5497074604519259
Energy: 1.6835945939720607
Energy: 1.7574716321247528
Energy: 1.2450642712770879
Energy: 1.4884135181743183
Energy: 1.2405932077253812
Energy: 1.6220842682106063
Energy: 1.6916344602141582
Energy: 1.8384202312301143
Energy: 1.246966255247899
Energy: 1.237897418248378
Energy: 1.3476609393910681
Energy: 1.7833109867827135
Energy: 1.6589315917178429
Energy: 1.2579677764786883
Energy: 1.2520485210000798
Energy: 1.2437306079027879
Energy: 1.2540672692025525
Energy: 1.5634212168185646
Energy: 1.6436538363988926
Energy: 1.236886926055955
Energy: 1.241751112947125
Energy: 1.234092192429234
Energy: 1.2631709332588177
Energy: 1.6237304796451684
Energy: 1.5585085606320919
Energy: 1.6632915268452482
Energy: 1.2666260024695508
Energy: 1.2446089250125998
Energy: 1.2758760830358693
Energy: 1.6383468078451244
Energy: 1.6835567115559327
Energy: 1.4754591761539142
Energy: 1.4806120876880997
Energy: 1.3467273790551848
Energy: 1.6609020598721818
Energy: 1.547925171828531
Energy: 1.5851596635977483
Energy: 1.5926018689289154
Energy: 1.449472355478648
Energy: 1.8754094840082864
Energy: 1.7259160117443875
Energy: 1.565826751176865
Energy: 1.5521511561775683
Energy: 1.4781411505308957
Energy: 1.4135065668646676
Energy: 1.4552980672059255
Energy: 1.4799688503979298
Energy: 1.5487665650581897
Energy: 1.4313656072112493
Energy: 1.5865665579461505
Energy: 1.3386090859851665
Energy: 1.3500439995455389
Energy: 1.4380284029939308
Energy: 1.630258388290086
Energy: 1.5548426402607292
Energy: 1.3613164699753089
Energy: 1.36354818184411
Energy: 1.3644983584904358
Energy: 1.3621300232436968
Energy: 1.550542658148775
Energy: 1.4820368750657114
Energy: 1.3632117772478765
Energy: 1.3449908975343252
Energy: 1.3465975830786923
Energy: 1.3832102993773194
Energy: 1.665616783205015
Energy: 1.6776880351617267
Energy: 1.8289990883354206
Energy: 1.3671829236928512
Energy: 1.3506559802228189
Energy: 1.342674719164711
Energy: 1.833350637386142
Energy: 1.48229797938897
Energy: 1.6825922755355776
Energy: 1.3547295317663919
Energy: 1.5176534612460362
Energy: 1.3744582546369686
Energy: 1.6732164009063117
Energy: 1.3488622209276946
Energy: 1.3471474484645167
Energy: 1.8748158262630952
Energy: 1.6912640267792989
Energy: 1.3144477918198805
Energy: 1.347768097240409
Energy: 1.3333225456341773
Energy: 1.360155790980975
Energy: 1.4318082690571408
Energy: 1.5828570481442237
Energy: 1.3801164165426298
Energy: 1.363381598909521
Energy: 1.3323946314555128
Energy: 1.338517511286481
Energy: 1.4854745356436763
Energy: 1.5477329659178338
Energy: 1.3613975887941827
Energy: 1.3652802845803538
Energy: 1.3449840304447438
Energy: 1.37761130106589
Energy: 1.6325770754332607
Energy: 1.6397952332865893
Energy: 1.6453455406585926
Energy: 1.3432004224987548
Energy: 1.5298293990509384
Energy: 1.3398883841843086
Energy: 1.54944041169874
Energy: 1.549131437420003
Energy: 1.547404251292611
Energy: 1.3374913020889554
Energy: 1.5737647497771552
Energy: 1.2516310411309806
Energy: 1.6216039858009421
Energy: 1.6797971457361798
Energy: 1.756870495240221
Energy: 1.355749376561362
Energy: 1.343682145918825
Energy: 1.4485148690953151
Energy: 1.6334453242846423
Energy: 1.6973420529428176
Energy: 1.6342748209555542
Energy: 1.3553489595293569
Energy: 1.2374856839579198
Energy: 1.2542940810431051
Energy: 1.2660724144735216
Energy: 1.6583770467081294
Energy: 1.2543966776532403
Energy: 1.2499234222301692
Energy: 1.2305818935701556
Energy: 1.2438708460378916
Energy: 1.246735345818947
Energy: 1.6663175570519626
Energy: 1.2359314333679234
Energy: 1.237485777012511
Energy: 1.2430271678454665
Energy: 1.2686235479671957
Energy: 1.589967730796331
Energy: 1.574598531159812
Energy: 1.3647969512285263
Energy: 1.2607134466683787
Energy: 1.340383497098959
Energy: 1.658940957667761
Energy: 1.6359113306867084
Energy: 1.6854024834433101
Energy: 1.4731584617001703
Energy: 1.3498154385569723
Energy: 1.5958751247148832
Energy: 1.3937435419872037
Energy: 1.6234000926103211
Energy: 1.671935088102835
Energy: 1.725869579039629
Energy: 1.8772324989978564

minimum gb energy = 1.2305818935701556 eV
minimum distance =  2.2211076446168 Angstroms
sigma value = 41


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

Energy: 1.8990438398311502
Energy: 1.7537094498132804
Energy: 1.3387557655789741
Energy: 1.354508555484696
Energy: 1.3419752045626903
Energy: 1.750741614600923
Energy: 1.6054065349136053
Energy: 1.098519505404058
Energy: 1.098140717132845
Energy: 1.3755733620236674
Energy: 1.1000640398810428
Energy: 1.3643864534137398
Energy: 1.3284381024914886
Energy: 1.1002540574370836
Energy: 1.1181274767826603
Energy: 1.0395750892617266
Energy: 1.1027383820580288
Energy: 1.373451916307137
Energy: 1.3693318567225903
Energy: 1.4229916281273902
Energy: 1.1001599829004167
Energy: 1.3256472516991327
Energy: 1.1042364141169183
Energy: 1.420886149282593
Energy: 1.3269678113883074
Energy: 1.373790280231779
Energy: 1.4561041357823419
Energy: 1.3337008314405157
Energy: 1.4264737851282874
Energy: 1.348288675418356
Energy: 1.3370451040201725
Energy: 1.3576098258963645
Energy: 1.737484791882369
Energy: 1.4015120415132538
Energy: 1.730758984041237
Energy: 1.3539219562910494
Energy: 1.5990152728167633
Energy: 1.4268427252507248
Energy: 1.1036824888504408
Energy: 1.3407401604086504
Energy: 1.4615205811151135
Energy: 1.6284652852127295
Energy: 1.6002861694915336
Energy: 1.432260832859207
Energy: 1.3553332275032706
Energy: 1.3323559748566194
Energy: 1.101485033822622
Energy: 1.7567654021904888
Energy: 1.3318259360945355
Energy: 1.1024673436962482
Energy: 1.0997089251699987
Energy: 1.0403715410979522
Energy: 1.1075502513847848
Energy: 1.3571188409572925
Energy: 1.340790275007445
Energy: 1.1048482733697984
Energy: 1.09958335343917
Energy: 1.3767971108656745
Energy: 1.1022900420124442
Energy: 1.361756714142558
Energy: 1.3400290683289369
Energy: 1.4279731730486123
Energy: 1.0998121168327433
Energy: 1.3690882747603903
Energy: 1.4439868944223757
Energy: 1.420721489211092
Energy: 1.3320536659831943
Energy: 1.3476008719174863
Energy: 1.1013529523877281
Energy: 1.336718991062154
Energy: 1.1032974402119087
Energy: 1.3475191156834767
Energy: 1.3286665108377276
Energy: 1.3607504978336944
Energy: 1.1009854228286349
Energy: 1.3862553360306598
Energy: 1.1032016079937454
Energy: 1.3500909248479653
Energy: 1.6004677503105247
Energy: 1.4188265863747989
Energy: 1.3612763928789162
Energy: 1.3671404180295987
Energy: 1.3596252915164662
Energy: 1.7534197593240062

minimum gb energy = 1.0395750892617266 eV
minimum distance =  2.22019284149489 Angstroms
sigma value = 11


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

Energy: 1.7972115017621324
Energy: 1.5203274390720316
Energy: 1.492002443922461
Energy: 1.4794035425151697
Energy: 1.4468722452137224
Energy: 1.9145625544771967
Energy: 1.2607475498637164
Energy: 1.479167597603035
Energy: 1.4390377795855143
Energy: 1.6215244062462624
Energy: 1.4807273872780957
Energy: 1.3010890853418713
Energy: 1.2730374200588743
Energy: 1.2997134826959467
Energy: 1.4481871123798757
Energy: 1.5847759061148707
Energy: 1.4499443391490725
Energy: 1.278480580214973
Energy: 1.272220244512969
Energy: 1.2967350032349376
Energy: 1.300847413440621
Energy: 1.5412133807756156
Energy: 1.3053459481359053
Energy: 1.2953190183607515
Energy: 1.2669792713623538
Energy: 1.2780566239098383
Energy: 1.2977402818110484
Energy: 1.4882162029631887
Energy: 1.299304155068956
Energy: 1.2846304699878526
Energy: 1.2725160030118694
Energy: 1.2782048197556624
Energy: 1.748125654581094
Energy: 1.636448994461001
Energy: 1.7473650791808837
Energy: 1.2785401020985594
Energy: 1.371795278376471
Energy: 1.3981906295498576
Energy: 1.5633112059670218
Energy: 1.5619100925960332
Energy: 1.619773543469799
Energy: 1.4363386168259595
Energy: 1.6512381981434667
Energy: 1.4293448700130746
Energy: 1.4518376318763448
Energy: 1.449312431721463
Energy: 1.4494918451566836
Energy: 1.7401246572798208
Energy: 1.2742583780869794
Energy: 1.2842709268396222
Energy: 1.4381593154879009
Energy: 1.7596468189959769
Energy: 1.3977843313008074
Energy: 1.2767996734634175
Energy: 1.3710603279534923
Energy: 1.3941977663941334
Energy: 1.3992488637173737
Energy: 1.7580871509593998
Energy: 1.3991702932386236
Energy: 1.373123145432204
Energy: 1.388236271954637
Energy: 1.4312366869931517
Energy: 1.3228835499024205
Energy: 1.3733032555440745
Energy: 1.3968673517965575
Energy: 1.4280631026064463
Energy: 1.3868924418999
Energy: 1.3238260866041953
Energy: 1.4288703956777191
Energy: 1.3877587067424713
Energy: 1.3979830539849054
Energy: 1.4098275267426055
Energy: 1.3715851449121614
Energy: 1.430721744587333
Energy: 1.4084832261975853
Energy: 1.3831479624850862
Energy: 1.4287438725581663
Energy: 1.427038512750411
Energy: 1.618771341843941
Energy: 1.3924530090181404
Energy: 1.3934254957532823
Energy: 1.3727053805381437
Energy: 1.396675412260274
Energy: 1.4478684391760896
Energy: 1.5241182648253584
Energy: 1.3994635918539695
Energy: 1.289877900991836
Energy: 1.2857888251154628
Energy: 1.40952221815245
Energy: 1.4364047549482115
Energy: 1.4499690802309977
Energy: 1.449209502128128
Energy: 1.4821071473891094
Energy: 1.9222413911404712
Energy: 1.5593309566567954
Energy: 1.4535616985853441
Energy: 1.4881862709333293
Energy: 1.4397884731810418
Energy: 1.4755012539646422
Energy: 1.2634253701242422
Energy: 1.485503178719671
Energy: 1.5325554416970795
Energy: 1.5067825351157624
Energy: 1.450702046830181
Energy: 1.2845814093341088
Energy: 1.2716106688716855
Energy: 1.2982716798398248
Energy: 1.566682811688934
Energy: 1.5619509324701892
Energy: 1.3008708611460602
Energy: 1.296620027518053
Energy: 1.2753172188749569
Energy: 1.2981249403646222
Energy: 1.4718747589566792
Energy: 1.5614906051531916
Energy: 1.295385184232415
Energy: 1.2812663139612757
Energy: 1.2784248505635327
Energy: 1.2908594009782672
Energy: 1.4678226736748465
Energy: 1.636350643322817
Energy: 1.7472843317588194
Energy: 1.2861567804916803
Energy: 1.278719337097293
Energy: 1.2929981775210544
Energy: 1.748591841958365
Energy: 1.487997718808472
Energy: 1.5619651667102594
Energy: 1.3997178097509557
Energy: 1.3683841392295044
Energy: 1.3994388973052718
Energy: 1.5632249028794585
Energy: 1.447436386661858
Energy: 1.4494106801615387
Energy: 1.7406960829185336
Energy: 1.6197855340322531
Energy: 1.558758903341537
Energy: 1.4509688441641801
Energy: 1.7566224570956703
Energy: 1.4807655193931233
Energy: 1.2808769838640206
Energy: 1.2767298057433745
Energy: 1.4022640682831058
Energy: 1.2885801090460698
Energy: 1.758996432884496
Energy: 1.401135155634149
Energy: 1.3736502751275392
Energy: 1.3731101896416045
Energy: 1.3922243818832456
Energy: 1.9701205812887435
Energy: 1.3716399555216245
Energy: 1.4033997700985261
Energy: 1.4470316560806564
Energy: 1.39216788795852
Energy: 1.4365856606009317
Energy: 1.4288465972945805
Energy: 1.3871490486658824
Energy: 1.4551932821437603
Energy: 1.3979548735249663
Energy: 1.3899041845959033
Energy: 1.3236098130669218
Energy: 1.4444727490552682
Energy: 1.3852749591045592
Energy: 1.4332387497461934
Energy: 1.3201716888244657
Energy: 1.426700054429325
Energy: 1.4296062237040355
Energy: 1.409693268783507
Energy: 1.3722859730808128
Energy: 1.403591328288686
Energy: 1.3987431686663692
Energy: 1.55830530283817
Energy: 1.405266437619994
Energy: 1.3752876015646907
Energy: 1.268216073820986
Energy: 1.4519977444078418
Energy: 1.4428952774041426
Energy: 1.6510957852325567
Energy: 1.3988755099567096
Energy: 1.2865234017403828
Energy: 1.7008194534665761
Energy: 1.4376637218046544
Energy: 1.4519147760031819
Energy: 1.5681795279970503
Energy: 1.4297115688011763
Energy: 1.4797125248446157

minimum gb energy = 1.2607475498637164 eV
minimum distance =  2.19415830196006 Angstroms
sigma value = 57


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

Energy: 2.2101861882642027
Energy: 1.9304313460642855
Energy: 1.4630457121593465
Energy: 1.457581869600652
Energy: 1.5571665352019766
Energy: 1.9376598108612946
Energy: 1.3027308848254264
Energy: 1.376548552523346
Energy: 1.3764036881599584
Energy: 1.3209902397618394
Energy: 1.394974613762
Energy: 1.3843788256749625
Energy: 1.3186917103288183
Energy: 1.3393034633802199
Energy: 1.3621826396350842
Energy: 1.3408558609198435
Energy: 1.3616255515324298
Energy: 1.3478132161749674
Energy: 1.317637112947974
Energy: 1.3635876621759448
Energy: 1.509072626417116
Energy: 1.316306526513602
Energy: 1.357976801404926
Energy: 1.336516955711157
Energy: 1.3158819987885932
Energy: 1.351675882991763
Energy: 1.3777546626660235
Energy: 1.3213316955991352
Energy: 1.374317607299859
Energy: 1.338770381536452
Energy: 1.3198033144866919
Energy: 1.3794650283238055
Energy: 1.6516944011122028
Energy: 1.321900603276956
Energy: 1.648104537591465
Energy: 1.3218722010734953
Energy: 1.3900309300896634
Energy: 1.3919063201272137
Energy: 1.3207893048072725
Energy: 1.3155487272716302
Energy: 1.3836026602397256
Energy: 1.3613059599207726
Energy: 1.3914747002989767
Energy: 1.360378521225992
Energy: 1.326783918555222
Energy: 1.3218901796679092
Energy: 1.3487327792918502
Energy: 1.3649781113176112
Energy: 1.3160674144516589
Energy: 1.3349634823165575
Energy: 1.6894356989363402
Energy: 1.3030099730961753
Energy: 1.6429401021449332
Energy: 1.3232711728703808
Energy: 1.3140010945112837
Energy: 1.3409024585204237
Energy: 1.3427784793556818
Energy: 1.3048356796253353
Energy: 1.3903523434448037
Energy: 1.3325731869140158
Energy: 1.301848102956258
Energy: 1.3616191128162374
Energy: 1.377819307831016
Energy: 1.3235026644881638
Energy: 1.3720436886599916
Energy: 1.3619279872934973
Energy: 1.3042820513665256
Energy: 1.393179135131677
Energy: 1.338323886413465
Energy: 1.3171673214360813
Energy: 1.368605942610661
Energy: 1.3918473095662154
Energy: 1.3149679883453826
Energy: 1.506462867340823
Energy: 1.3556864385547602
Energy: 1.3348782255266893
Energy: 1.358576415049492
Energy: 1.3246564065743893
Energy: 1.3212270883550195
Energy: 1.3631048612807446
Energy: 1.3155208979661774
Energy: 1.3179557752273263
Energy: 1.373618960723245
Energy: 1.6429314267700428
Energy: 1.3206651442459068
Energy: 1.3974863856644832
Energy: 1.3729407679832712
Energy: 1.3227862185111154
Energy: 1.3775585315193062
Energy: 1.31857892962205
Energy: 1.5337402168359655
Energy: 1.3234249894429753
Energy: 1.341467648241783
Energy: 1.634437069820463
Energy: 1.34323859688579
Energy: 1.5656608203438023
Energy: 1.302293286866755
Energy: 1.3810069231161644
Energy: 1.3762735491194797
Energy: 1.3148369583723674
Energy: 1.394122835747571
Energy: 1.3366360764424223

minimum gb energy = 1.301848102956258 eV
minimum distance =  2.22485948738937 Angstroms
sigma value = 9


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

Energy: 2.3903389311737624
Energy: 1.4273047781291748
Energy: 1.477151342854855
Energy: 1.4743620163248163
Energy: 1.475177188615474
Energy: 2.0364976784889044
Energy: 1.3471102402222204
Energy: 1.4586518183878967
Energy: 1.4165684464685315
Energy: 1.3876768488077538
Energy: 1.5349299148716828
Energy: 1.430969593853293
Energy: 1.353128413537524
Energy: 1.3570275263283509
Energy: 1.4462028109960434
Energy: 1.4441073940643308
Energy: 1.4657685956572581
Energy: 1.3553987660382685
Energy: 1.3752366471460173
Energy: 1.451369853069445
Energy: 1.3808493349274904
Energy: 1.3574585560535901
Energy: 1.4292604792702588
Energy: 1.379870090993328
Energy: 1.3776213281260576
Energy: 1.3987478622161582
Energy: 1.3851206445029962
Energy: 1.3770196924389484
Energy: 1.3833120883790253
Energy: 1.3989126828885077
Energy: 1.3580113263157876
Energy: 1.3852613910379448
Energy: 1.3989617226457947
Energy: 1.3759418576180618
Energy: 1.4151799548879678
Energy: 1.3802293737294475
Energy: 1.3861994518691712
Energy: 1.4682649461973205
Energy: 1.3834244566660265
Energy: 1.3892027208958933
Energy: 1.3803009982458203
Energy: 1.4267021196068292
Energy: 1.3861566568429964
Energy: 1.516588932502915
Energy: 1.3577706502436935
Energy: 1.353325756940493
Energy: 1.3621737256390232
Energy: 1.522539679357116
Energy: 1.359438456147561
Energy: 1.378837038016088
Energy: 1.5153331164859858
Energy: 1.3850841974393728
Energy: 1.5112834433274511
Energy: 1.3577622120507242
Energy: 1.351855310615027
Energy: 1.362995105769079
Energy: 1.519416374658654
Energy: 1.3844619408197936
Energy: 1.5119006249654106
Energy: 1.4320177122718372
Energy: 1.3427728780175445
Energy: 1.515004913444829
Energy: 1.3673471566569055
Energy: 1.3517000510237136
Energy: 1.3562712912230874
Energy: 1.5478895820743377
Energy: 1.3479373942025528
Energy: 1.5339257285812067
Energy: 1.3811513693231476
Energy: 1.388221007344207
Energy: 1.4076366134369382
Energy: 1.4456380731656946
Energy: 1.3521081659206629
Energy: 1.3567059585904553
Energy: 1.5219787039388375
Energy: 1.3995915914262638
Energy: 1.4618084901479012
Energy: 1.357307758978554
Energy: 1.3896033507767085
Energy: 1.3785500022247068
Energy: 1.4651703239610634
Energy: 1.3966213887554915
Energy: 1.4736512249706102
Energy: 1.3808736561899204
Energy: 1.3749112259781915
Energy: 1.4013231393411283
Energy: 1.3782800720172188
Energy: 1.357644697833456
Energy: 1.384455749790796
Energy: 1.401066766574267
Energy: 1.3752270793338046
Energy: 1.3853606903512279
Energy: 1.3971070140447068
Energy: 1.4013918940257089
Energy: 1.4101110230485465
Energy: 1.3845800474290866
Energy: 1.3576433804555712
Energy: 1.426133985656765
Energy: 1.3777176460525415
Energy: 1.3763947681137938
Energy: 1.4592194720704539
Energy: 1.4242469842410108
Energy: 1.388194681670266
Energy: 1.4725868540707132
Energy: 1.3568331518927734
Energy: 1.3550125761003218
Energy: 1.3591245043920683
Energy: 1.7425841334035597
Energy: 1.3945661454802263
Energy: 1.3815855869284992
Energy: 1.4935503941191028
Energy: 1.3581977176075053
Energy: 1.5296321323220385
Energy: 1.3797165554298267
Energy: 1.3601224519163915
Energy: 1.3594457421877835
Energy: 1.422926524611032
Energy: 1.7271022783898116
Energy: 1.369247098500315
Energy: 1.3588103157607232
Energy: 1.341786061019189
Energy: 1.5296654335414317
Energy: 1.3821793372434668
Energy: 1.3519784898125806
Energy: 1.4587527483163436
Energy: 1.3794722442762108

minimum gb energy = 1.341786061019189 eV
minimum distance =  2.23527306673896 Angstroms
sigma value = 27


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

Energy: 1.6305983870723804
Energy: 1.498021402949708
Energy: 1.4885316648493314
Energy: 1.4859050587528524
Energy: 1.4877836902259962
Energy: 1.434176399225771
Energy: 1.367533430561992
Energy: 1.525200214930407
Energy: 1.3936058216156701
Energy: 1.3817652497156452
Energy: 1.6020711049080956
Energy: 1.4394577910790978
Energy: 1.368619205710521
Energy: 1.3799272236606595
Energy: 1.5887368022787831
Energy: 1.5876762438543761
Energy: 1.4796110601250703
Energy: 1.37978378252944
Energy: 1.3700232185868193
Energy: 1.4985593442607468
Energy: 1.525136182219352
Energy: 1.383933746872693
Energy: 1.5134792626183078
Energy: 1.4298579754811256
Energy: 1.3806258472225383
Energy: 1.480534045535154
Energy: 1.396546095671387
Energy: 1.3957261492581114
Energy: 1.3975641728740444
Energy: 1.470527427966122
Energy: 1.3615248876695873
Energy: 1.4983614504174618
Energy: 1.4183398717511124
Energy: 1.3895457772082453
Energy: 1.421310834079591
Energy: 1.3778249732286443
Energy: 1.3738327931002141
Energy: 1.4470733701362284
Energy: 1.402333137049528
Energy: 1.4089065917601402
Energy: 1.4020456118743103
Energy: 1.476941801165634
Energy: 1.3743541152205319
Energy: 1.473963026469377
Energy: 1.4830953092373698
Energy: 1.3809814226474602
Energy: 1.4225796803648987
Energy: 1.4775755744502075
Energy: 1.3583110084076562
Energy: 1.3751852239498508
Energy: 1.5270369960874999
Energy: 1.3786481154823604
Energy: 1.5182589461512954
Energy: 1.3783828903963475
Energy: 1.346017193429669
Energy: 1.430637337540849
Energy: 1.5373182313061577
Energy: 1.3794008774164863
Energy: 1.5374781532327928
Energy: 1.4328963948752904
Energy: 1.3690350342251016
Energy: 1.5127002292775191
Energy: 1.424359938402466
Energy: 1.4059595809569352
Energy: 1.367120608249017
Energy: 1.5120773242020598
Energy: 1.400747391618973
Energy: 1.5154528252513448
Energy: 1.3607402985099717
Energy: 1.3521414067554425
Energy: 1.4710551732182937
Energy: 1.514737560913412
Energy: 1.3458380484780215
Energy: 1.3495460703019466
Energy: 1.5123606083682237
Energy: 1.3293150746503197
Energy: 1.334430240207208
Energy: 1.3493405049675529
Energy: 1.350074583600089
Energy: 1.3317877118456813
Energy: 1.5184920991770687
Energy: 1.3510194963914635
Energy: 1.5213133442562798
Energy: 1.3669223112207185
Energy: 1.3590700945340235
Energy: 1.5123550414980458
Energy: 1.3686498689490174
Energy: 1.3501477658884722
Energy: 1.3681003973315187
Energy: 1.5871988412526894
Energy: 1.3587877292072668
Energy: 1.4748751441342314
Energy: 1.368962781821813
Energy: 1.4527675099153585
Energy: 1.4500996268367052
Energy: 1.4038746299612783
Energy: 1.346410106332654
Energy: 1.4427279965934634
Energy: 1.4985094266195853
Energy: 1.4057895544388148
Energy: 1.3614851811630182
Energy: 1.4417560818744182
Energy: 1.383401061923028
Energy: 1.3911988731062284
Energy: 1.5511635031502005
Energy: 1.3812199252158592
Energy: 1.4784197452604515
Energy: 1.3919331180182748
Energy: 1.3848552053892365
Energy: 1.4014868767058926
Energy: 1.5008254864333115
Energy: 1.3769888852694867
Energy: 1.4743985795034145
Energy: 1.4028679867854044
Energy: 1.3838534403321903
Energy: 1.436238713146424
Energy: 1.474273244681291
Energy: 1.4772554662349278
Energy: 1.4771673957068328
Energy: 1.4796899476502083
Energy: 1.3743844374613103
Energy: 1.514040379637858
Energy: 1.3845185881680206
Energy: 1.380466420524817
Energy: 1.511787889848775
Energy: 1.514051169392526
Energy: 1.3687355671473656
Energy: 1.5379792098720093
Energy: 1.3845029053253335
Energy: 1.374865105258072
Energy: 1.4821432975234468
Energy: 1.7989514483344249
Energy: 1.3757691226579838
Energy: 1.3782301833247455
Energy: 1.6014769298326226
Energy: 1.3689384736337393
Energy: 1.6097533754093611
Energy: 1.3777748889112065
Energy: 1.3683824644615448
Energy: 1.4081378096780295
Energy: 1.5723396937271616
Energy: 1.3695129076667392
Energy: 1.4124655765279754
Energy: 1.3664318399467217
Energy: 1.3681304982339535
Energy: 1.6017525218866846
Energy: 1.5164604325028221
Energy: 1.4600794031873996
Energy: 1.3935313272985663
Energy: 1.598439674127376

minimum gb energy = 1.3293150746503197 eV
minimum distance =  2.21904439365569 Angstroms
sigma value = 19


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

Energy: 1.6391165556262828
Energy: 1.3940666789835945
Energy: 1.4373559973996228
Energy: 1.4357977537151836
Energy: 1.4364918407104192
Energy: 1.3269065634774402
Energy: 1.3036576015578025
Energy: 1.465433561417723
Energy: 1.3571968359163455
Energy: 1.3439518537821993
Energy: 1.6279503791675065
Energy: 1.487281210349459
Energy: 1.3021285323965954
Energy: 1.353561697461874
Energy: 1.537560125933513
Energy: 1.594749801542553
Energy: 1.3525566791796166
Energy: 1.3528157333123396
Energy: 1.3049723120422672
Energy: 1.5342295841241254
Energy: 1.481965572163157
Energy: 1.3437809840843886
Energy: 1.4812580602411523
Energy: 1.3537970050937176
Energy: 1.2823205512447284
Energy: 1.4829513640188627
Energy: 1.3589516824018975
Energy: 1.342344586430717
Energy: 1.363555430186708
Energy: 1.482790908984418
Energy: 1.3045056511488233
Energy: 1.405240550930932
Energy: 1.3612499913504221
Energy: 1.3096012659093035
Energy: 1.3603772580773632
Energy: 1.307891455615252
Energy: 1.312734172237229
Energy: 1.3717423715598849
Energy: 1.3679644419041093
Energy: 1.368359780220826
Energy: 1.3809261333319072
Energy: 1.3728800546871913
Energy: 1.3128619687479863
Energy: 1.3723722806904204
Energy: 1.493935330577019
Energy: 1.3048073641322706
Energy: 1.3723099160064463
Energy: 1.3728054639697016
Energy: 1.3294686103990194
Energy: 1.3711517852504223
Energy: 1.4255225397355553
Energy: 1.3157882119063788
Energy: 1.3714802018332966
Energy: 1.3708603863778521
Energy: 1.313316905676695
Energy: 1.4367706795835244
Energy: 1.4905825746954715
Energy: 1.3029512324916996
Energy: 1.4913067778841425
Energy: 1.3766387847250137
Energy: 1.289442631743451
Energy: 1.3776341718364546
Energy: 1.3206871595124448
Energy: 1.3199384330930566
Energy: 1.3213385735039889
Energy: 1.5725807615362217
Energy: 1.3136693165973563
Energy: 1.5656504019886506
Energy: 1.4048758371117895
Energy: 1.307021775147166
Energy: 1.377019096279156
Energy: 1.5656553202431303
Energy: 1.3128183993169809
Energy: 1.3569395083186813
Energy: 1.317080451820532
Energy: 1.3395446825722956
Energy: 1.4022358488586228
Energy: 1.3136632913548483
Energy: 1.270620259523999
Energy: 1.3644068690981959
Energy: 1.5420497625135232
Energy: 1.304871321561738
Energy: 1.5448630407778836
Energy: 1.271779153405616
Energy: 1.2865710992882156
Energy: 1.2969852730370457
Energy: 1.3103996124740236
Energy: 1.3067517992552795
Energy: 1.3065714054644462
Energy: 1.5424529538461944
Energy: 1.2717968363662466
Energy: 1.5440884672443964
Energy: 1.3349246115002207
Energy: 1.3065196791661453
Energy: 1.2936454500082355
Energy: 1.5405435368981437
Energy: 1.271144359301036
Energy: 1.3444020892321276
Energy: 1.594103991680804
Energy: 1.6628318796703658
Energy: 1.5503967380575423
Energy: 1.344757365957106
Energy: 1.306636283873103
Energy: 1.4296840560308535
Energy: 1.4928553057961893
Energy: 1.3156062417170276
Energy: 1.4930997423958134
Energy: 1.3542362096041753
Energy: 1.2818118181426679
Energy: 1.4753073622224846
Energy: 1.4244868675533162
Energy: 1.3075945514618006
Energy: 1.4323611515325074
Energy: 1.4764423619724696
Energy: 1.3061186106836011
Energy: 1.5059645143737885
Energy: 1.3329935907196502
Energy: 1.332937473187924
Energy: 1.3320459954391812
Energy: 1.3997423019451727
Energy: 1.3060937822277328
Energy: 1.4983884505420717
Energy: 1.3762871989920813
Energy: 1.3812353841289284
Energy: 1.379926952103579
Energy: 1.4427271603782676
Energy: 1.3073286076155655
Energy: 1.3784205055211882
Energy: 1.453326944464625
Energy: 1.3039419006245685
Energy: 1.4479532435863505
Energy: 1.3794474245203245
Energy: 1.305893095603506
Energy: 1.3635459782517316
Energy: 1.482781221553951
Energy: 1.3033048827184786
Energy: 1.407072803751539
Energy: 1.364267879549017
Energy: 1.3147927491032951
Energy: 1.3636077115172067
Energy: 1.4817460735907717
Energy: 1.3042781025942802
Energy: 1.482651523298205
Energy: 1.3636134503234623
Energy: 1.3146534141330901
Energy: 1.480592395415166
Energy: 1.3516646171606974
Energy: 1.3042085724470065
Energy: 1.3485488096682106
Energy: 1.4803588792447397
Energy: 1.289505114584783
Energy: 1.4630263846872928
Energy: 1.3494144999375561
Energy: 1.301356576339222
Energy: 1.3496052942631
Energy: 1.6379615806973398
Energy: 1.3445629295585524
Energy: 1.3634705577514619
Energy: 1.6398806391699428
Energy: 1.3001285779719498
Energy: 1.6341543472206426
Energy: 1.314746852935653
Energy: 1.3022740319664292
Energy: 1.3415936312849595
Energy: 1.4059424948771344
Energy: 1.3376983260440283
Energy: 1.3656848004261852
Energy: 1.3039592779417082
Energy: 1.3391508238789829
Energy: 1.6373360841108882
Energy: 1.4580017911194287
Energy: 1.4074100265918947
Energy: 1.4214561583733243
Energy: 1.6266368661354351

minimum gb energy = 1.270620259523999 eV
minimum distance =  2.21849160474448 Angstroms
sigma value = 101


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

Energy: 2.0479010001151283
Energy: 1.274343161758454
Energy: 1.3427642428097724
Energy: 1.3411507084771583
Energy: 1.3445496680913915
Energy: 1.5536757729136144
Energy: 1.2221669717853856
Energy: 1.4348704840402884
Energy: 1.4029107643158962
Energy: 1.2516828741946746
Energy: 1.622408719796783
Energy: 1.3991943117474601
Energy: 1.2464097194769306
Energy: 1.3080463742954342
Energy: 1.5618692463033257
Energy: 1.5551074365309434
Energy: 1.310780574518743
Energy: 1.251039686060699
Energy: 1.247313410915419
Energy: 1.5617717348647786
Energy: 1.3941796556893176
Energy: 1.2292602787055513
Energy: 1.4777802440481143
Energy: 1.3111232691140247
Energy: 1.2206721340910858
Energy: 1.3931133889174874
Energy: 1.32166089024167
Energy: 1.2309350037417053
Energy: 1.323966748033083
Energy: 1.4000719574343328
Energy: 1.2474175303813142
Energy: 1.3541425761034385
Energy: 1.324016176298336
Energy: 1.2255382363981135
Energy: 1.3227743352985983
Energy: 1.247570655257949
Energy: 1.2470488229208732
Energy: 1.3014974048182537
Energy: 1.3552341519778475
Energy: 1.3591346301691438
Energy: 1.3698904798352054
Energy: 1.3009383295198478
Energy: 1.2352153565217665
Energy: 1.3029004414162175
Energy: 1.2251286121186897
Energy: 1.2257280334304708
Energy: 1.3019322976097762
Energy: 1.3012087197398678
Energy: 1.265417116504772
Energy: 1.3026708364829285
Energy: 1.3556046899310201
Energy: 1.2521129096919583
Energy: 1.3207681113083738
Energy: 1.301532096392115
Energy: 1.24700131670158
Energy: 1.4191918662114456
Energy: 1.354848784521986
Energy: 1.2265813147038993
Energy: 1.3547418242072529
Energy: 1.3313829703174775
Energy: 1.2462843615042052
Energy: 1.3191204830936298
Energy: 1.260206211911662
Energy: 1.261333829627874
Energy: 1.3227799686205264
Energy: 1.4813963276854505
Energy: 1.2463696282621282
Energy: 1.4765418378437898
Energy: 1.3863722848009206
Energy: 1.2593680758161716
Energy: 1.31962458198999
Energy: 1.4766120244432759
Energy: 1.2475741538524805
Energy: 1.3116322667999194
Energy: 1.3076561580335706
Energy: 1.2430985475514713
Energy: 1.3080645638389288
Energy: 1.2476458309370333
Energy: 1.2279615728378603
Energy: 1.3874566041481742
Energy: 1.6246902246392942
Energy: 1.242570147315571
Energy: 1.6300779122830058
Energy: 1.3879147465398431
Energy: 1.2573196913787794
Energy: 1.3170135478692502
Energy: 1.2547689922999659
Energy: 1.2521294629596103
Energy: 1.2546970225101233
Energy: 1.4296830980532005
Energy: 1.2559180946588764
Energy: 1.6190445086989957
Energy: 1.3875488661546178
Energy: 1.2281594977071506
Energy: 1.3183120697982804
Energy: 1.3186324430987881
Energy: 1.3172783943235968
Energy: 1.2304287010146595
Energy: 1.2643222791626643
Energy: 1.5525359849918703
Energy: 1.3130907302401886
Energy: 1.3186999048744672
Energy: 1.2518283666002992
Energy: 1.4029107144290103
Energy: 1.6218155769156506
Energy: 1.2219822692518443
Energy: 1.6284019384751578
Energy: 1.3199750308080034
Energy: 1.2668525500633234
Energy: 1.5144414489652032
Energy: 1.2930177032208858
Energy: 1.2289457988673615
Energy: 1.3089115333359804
Energy: 1.5686071268015458
Energy: 1.2631010145546173
Energy: 1.5342069805144483
Energy: 1.3149163675415516
Energy: 1.2469144346288223
Energy: 1.3191224807802668
Energy: 1.3946122362102553
Energy: 1.2243800112421932
Energy: 1.3886134093538827
Energy: 1.4793770338262127
Energy: 1.394890559370453
Energy: 1.464873185485373
Energy: 1.3852763710876934
Energy: 1.2257961052227089
Energy: 1.3247971317266742
Energy: 1.3807594542750228
Energy: 1.247623600160695
Energy: 1.3234242577940998
Energy: 1.3199358927287244
Energy: 1.252308595020101
Energy: 1.3540770555165
Energy: 1.3646199826698968
Energy: 1.2351661152509366
Energy: 1.3652727556630402
Energy: 1.3575703715692036
Energy: 1.2263462989825222
Energy: 1.3221745095369983
Energy: 1.3007515390822948
Energy: 1.2484914804031002
Energy: 1.3028779139483428
Energy: 1.341162798742766
Energy: 1.2248183804544783
Energy: 1.3212164241230764
Energy: 1.300946172350381
Energy: 1.3024521647344578
Energy: 1.3011775029164858
Energy: 1.3208875779705829
Energy: 1.2515075256504475
Energy: 1.3564254955911361
Energy: 1.4180337494706505
Energy: 1.2481679693125334
Energy: 1.425443854718106
Energy: 1.3561952555742471
Energy: 1.225729513516706
Energy: 1.3222584655441252
Energy: 1.3233771492622488
Energy: 1.247391368101759
Energy: 1.3234983139245455
Energy: 1.260745074575976
Energy: 1.25928237255834
Energy: 1.3201254998486125
Energy: 1.478388362486942
Energy: 1.2471519013943257
Energy: 1.4771732856123614
Energy: 1.3862175128716228
Energy: 1.242954058565146
Energy: 1.5346001362503325
Energy: 1.3148364578251766
Energy: 1.2485838369270212
Energy: 1.315180046589005
Energy: 1.5350523505947475
Energy: 1.2432947231868114
Energy: 1.308912202470027
Energy: 1.228882754715675
Energy: 1.2933817052500298
Energy: 1.293292030868383
Energy: 1.629925283229816
Energy: 1.2526413054352807
Energy: 1.3170029389556484
Energy: 1.4321929326278109
Energy: 1.2558660784566817
Energy: 1.3168567257732842
Energy: 1.253921344446822
Energy: 1.2291478375014013
Energy: 1.387860488340254
Energy: 1.6285015916890995
Energy: 1.2493780366802194
Energy: 1.2263678006230057
Energy: 1.2355952626603566
Energy: 1.2632462742149517
Energy: 1.2259110427584188
Energy: 1.2927160772091717
Energy: 1.3172379997823291
Energy: 1.2933157849401722
Energy: 1.5546646478678823

minimum gb energy = 1.2206721340910858 eV
minimum distance =  2.22359922141276 Angstroms
sigma value = 33


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

Energy: 0.014035641538831195
Energy: 0.014757781219804818
Energy: 0.08974322838736871
Energy: 0.08982410127721853
Energy: 0.09077576113638246
Energy: 0.014614334525811757
Energy: 0.01413176533839116
Energy: 0.10417097734753125
Energy: 0.10429396864379918
Energy: 0.10496807666127445
Energy: 0.10368743952800173
Energy: 0.10636289490922986
Energy: 0.8614142038461761
Energy: 0.09270653732820844
Energy: 0.014730215654616994
Energy: 0.016147081479610883
Energy: 0.09170097308226939
Energy: 0.08947771760950671
Energy: 0.1037195203748696
Energy: 0.10417097734753125
Energy: 0.10429396864379918
Energy: 0.10496807666194585
Energy: 0.10368743952800173
Energy: 0.10636289491061215

minimum gb energy = 0.014035641538831195 eV
minimum distance =  2.44460861950516 Angstroms
sigma value = 1