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
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.012435572653151641
Energy: 0.012644740259516151
Energy: 0.4125069341329791
Energy: 0.012644740258036023
Energy: 0.012435572653151641
Energy: 0.012644740258036023
Energy: 0.012644740258538708
Energy: 2.6532767627913985
Energy: 0.012644740259041392
Energy: 2.1611414411204235
Energy: 0.012644740259041392
Energy: 2.161141441117966
Energy: 0.4125069341320017
Energy: 0.012644740260493597
Energy: 0.012435572653151641
Energy: 0.012644740259516151
Energy: 0.4125069341325044
Energy: 0.012644740259516151
Energy: 0.012644740258036023
Energy: 2.161141441117966
Energy: 0.012644740259516151
Energy: 2.161141441118468
Energy: 0.012644740258036023
Energy: 2.6532870890991607
Energy: 0.012435572653151641
Energy: 0.012644740259041392
Energy: 0.41250693413102424
Energy: 0.012644740259516151
Energy: 0.012435572653151641
Energy: 0.01264474026001884
Energy: 0.012644740258538708
Energy: 2.1611414411204235
Energy: 0.012644740259041392
Energy: 2.653287089100138
Energy: 0.012644740259516151
Energy: 2.1611414411199488

minimum gb energy = 0.012435572653151641 eV
minimum distance =  2.45377629271595 Angstroms
sigma value = 1


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

Energy: 1.2877269117317425
Energy: 1.3497234989540903
Energy: 1.2214672240358062
Energy: 1.3497234989540903
Energy: 1.2877269117317425
Energy: 1.3497234989528806
Energy: 1.243207804491264
Energy: 1.3151864579182964
Energy: 1.2836337979264076
Energy: 1.3151864579170864
Energy: 1.243207804491264
Energy: 1.3151864579182964
Energy: 1.1297973652863167
Energy: 1.3159841542276098
Energy: 1.2841632063474608
Energy: 1.3159841542276098
Energy: 1.1297973652863167
Energy: 1.3159841542276098
Energy: 1.3104574238105424
Energy: 1.2801167300474394
Energy: 1.1333961338645637
Energy: 1.2801167300486496
Energy: 1.3104574238105424
Energy: 1.2801167300498595
Energy: 1.3039067017093409
Energy: 1.338275047659552
Energy: 1.2379519978292404
Energy: 1.3382750476607619
Energy: 1.3039067017093409
Energy: 1.3382750476607619
Energy: 1.280788942486717
Energy: 1.319786530508595
Energy: 1.1362506772003553
Energy: 1.319786530508595
Energy: 1.2807889424879273
Energy: 1.319786530508595
Energy: 1.2796278781518111
Energy: 1.314501701927617
Energy: 1.1355806303761582
Energy: 1.314501701928827
Energy: 1.2796278781518111
Energy: 1.314501701928827
Energy: 1.327429629884295
Energy: 1.3394887454914066
Energy: 1.133163479877446
Energy: 1.3394887454914066
Energy: 1.327429629884295
Energy: 1.3394887454914066
Energy: 1.33826074788951
Energy: 1.269144657869218
Energy: 1.1319162379764431
Energy: 1.269144657869218
Energy: 1.33826074788951
Energy: 1.269144657869218
Energy: 1.2800346925877468
Energy: 1.3134310354580199
Energy: 1.1366347103982413
Energy: 1.31343103545681
Energy: 1.2800346925877468
Energy: 1.31343103545681
Energy: 1.1301237305372631
Energy: 1.2785340325012857
Energy: 1.2415817812529062
Energy: 1.2785340347521552
Energy: 1.1301237305384728
Energy: 1.2785340331338546
Energy: 1.1345028400419797
Energy: 1.337831870004075
Energy: 1.1344557513426619
Energy: 1.337831870004075
Energy: 1.1345028400419797
Energy: 1.337831870004075
Energy: 1.241426355195949
Energy: 1.278534030973737
Energy: 1.2428926697440026
Energy: 1.2785340314369575
Energy: 1.2414263551971592
Energy: 1.2785340283890654
Energy: 1.136688904053
Energy: 1.3133451236505609
Energy: 1.2800468194217174
Energy: 1.3133451236505609
Energy: 1.136688904053
Energy: 1.3133451236505609
Energy: 1.1320150564422315
Energy: 1.2702114686801846
Energy: 1.337218084976684
Energy: 1.2702114686801846
Energy: 1.1320150564422315
Energy: 1.2702114686838146
Energy: 1.1332298886867862
Energy: 1.3397648325529996
Energy: 1.3272118792108325
Energy: 1.3397648325517897
Energy: 1.1332298886855763
Energy: 1.3397648325517897
Energy: 1.1355114940872144
Energy: 1.3145304254644066
Energy: 1.2788594874702846
Energy: 1.3145304254644066
Energy: 1.1355114940860043
Energy: 1.3145304254644066
Energy: 1.135981856350653
Energy: 1.3198276816794279
Energy: 1.2827095572315634
Energy: 1.3198276816806378
Energy: 1.135981856353073
Energy: 1.3198276816794279
Energy: 1.309832449015672
Energy: 1.3383348556286296
Energy: 1.3045805146767109
Energy: 1.3383348556286296
Energy: 1.309832449014462
Energy: 1.3383348556286296
Energy: 1.1320370060825686
Energy: 1.28754231017942
Energy: 1.3106926654711746
Energy: 1.28754231017942
Energy: 1.1320370060837788
Energy: 1.2875423101782095
Energy: 1.2835355527125918
Energy: 1.3159630355584664
Energy: 1.1297852604384198
Energy: 1.3159630355584664
Energy: 1.2835355527125918
Energy: 1.3159630355584664
Energy: 1.2808677400715818
Energy: 1.3138099374782035
Energy: 1.2431817038689135
Energy: 1.3138099374769934
Energy: 1.2808677400715818
Energy: 1.3138099374769934
Energy: 1.2675474502133284
Energy: 1.3497234989540903
Energy: 1.2877269117329524
Energy: 1.3497234989540903
Energy: 1.2675474502133284
Energy: 1.3497234989540903

minimum gb energy = 1.1297852604384198 eV
minimum distance =  2.23355959170939 Angstroms
sigma value = 33


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

Energy: 1.6928069604727305
Energy: 1.408159086418955
Energy: 1.2396834981472382
Energy: 1.4081590864203313
Energy: 1.6928069604720424
Energy: 1.408159086418955
Energy: 1.2509071918084382
Energy: 1.3736401260309954
Energy: 1.296660896029699
Energy: 1.3736401260316837
Energy: 1.250907191810503
Energy: 1.3736401260330602
Energy: 1.1761112611547075
Energy: 1.4042604083821086
Energy: 1.3813769642618619
Energy: 1.404260408382797
Energy: 1.1761112611540192
Energy: 1.4042604083821086
Energy: 1.2794763079034726
Energy: 1.3497017681511194
Energy: 1.4344256543847533
Energy: 1.3497017681518078
Energy: 1.279476307904161
Energy: 1.3497017681511194
Energy: 1.2778644436782098
Energy: 1.3835007964789816
Energy: 1.3925463756382188
Energy: 1.3835007964789816
Energy: 1.2778644436782098
Energy: 1.3835007964782935
Energy: 1.2952693892958551
Energy: 1.383789535051135
Energy: 1.1820234112056622
Energy: 1.383789535051135
Energy: 1.2952693893715321
Energy: 1.3837895350504468
Energy: 1.295273303908919
Energy: 1.3830828365497971
Energy: 1.3086471730317737
Energy: 1.3830828365504855
Energy: 1.2952733039075426
Energy: 1.3830828365504855
Energy: 1.2070338637958187
Energy: 1.3849240061293762
Energy: 1.3417053252024493
Energy: 1.384924006128688
Energy: 1.207033863796507
Energy: 1.3849240061293762
Energy: 1.3194790099699805
Energy: 1.3547132145348655
Energy: 1.2954423109076578
Energy: 1.3547132145348655
Energy: 1.3194790099706686
Energy: 1.3547132145348655
Energy: 1.2494677440239974
Energy: 1.4038317005499366
Energy: 1.2568320129983632
Energy: 1.4038317005499366
Energy: 1.2494677440239974
Energy: 1.403831700551313
Energy: 1.2500611867827247
Energy: 1.3741464419307703
Energy: 1.298743919092408
Energy: 1.3741464419342115
Energy: 1.2500611867841014
Energy: 1.374146441933523
Energy: 1.37922647417375
Energy: 1.3856482494254005
Energy: 1.2494806150294577
Energy: 1.3856482494247122
Energy: 1.379226474174438
Energy: 1.3856482494260887
Energy: 1.442129701161579
Energy: 1.359619976257318
Energy: 1.249815691199305
Energy: 1.3596199762607593
Energy: 1.4421297011622674
Energy: 1.3596199762586947
Energy: 1.3177727900550158
Energy: 1.4039732227214143
Energy: 1.3078571254644138
Energy: 1.4039732227221027
Energy: 1.317772790055704
Energy: 1.4039732227214143
Energy: 1.3819784243792381
Energy: 1.3893591205819815
Energy: 1.3888567449516522
Energy: 1.3893591205826699
Energy: 1.3819784243799265
Energy: 1.3893591205819815
Energy: 1.3805500881553956
Energy: 1.4054507202246667
Energy: 1.2523256152388014
Energy: 1.4054507202239783
Energy: 1.3805500881560837
Energy: 1.405450720225355
Energy: 1.3945377688988985
Energy: 1.3833811208760907
Energy: 1.254774615009926
Energy: 1.3833811208754023
Energy: 1.3945377688988985
Energy: 1.3833811208760907
Energy: 1.392835539699155
Energy: 1.3731441605416361
Energy: 1.3907752900307888
Energy: 1.3731441605416361
Energy: 1.392835539699155
Energy: 1.3731441605416361
Energy: 1.1822120131184355
Energy: 1.3853658444056802
Energy: 1.3418860486529338
Energy: 1.3853658444063686
Energy: 1.1822120131177474
Energy: 1.3853658444056802
Energy: 1.3288218834556955
Energy: 1.3512329836928498
Energy: 1.388171342062689
Energy: 1.3512329836907848
Energy: 1.3288218833703829
Energy: 1.3512329836921613
Energy: 1.3794997710395915
Energy: 1.4046355645278097
Energy: 1.2265453514171503
Energy: 1.4046355645291864
Energy: 1.3794997710389034
Energy: 1.4046355645278097
Energy: 1.2503285508302164
Energy: 1.3785668042125365
Energy: 1.4469955920317519
Energy: 1.3785668042125365
Energy: 1.250328550829528
Energy: 1.3785668042125365
Energy: 1.254110095003122
Energy: 1.385441554468025
Energy: 1.3568812108700374
Energy: 1.3854415544673366
Energy: 1.254110095003122
Energy: 1.3854415544673366
Energy: 1.4744290580342674
Energy: 1.3770323308468293
Energy: 1.2959698064225387
Energy: 1.3770323308475176
Energy: 1.4744290580349555
Energy: 1.3770323308468293
Energy: 1.2931182095048668
Energy: 1.3832120588720487
Energy: 1.3802474563764626
Energy: 1.3832120588720487
Energy: 1.2931182095041784
Energy: 1.3832120588720487
Energy: 1.3075834652045337
Energy: 1.4053993207140356
Energy: 1.2585996134866468
Energy: 1.4053993207133473
Energy: 1.3075834652031886
Energy: 1.4053993207140356
Energy: 1.3066516359787523
Energy: 1.404974431654758
Energy: 1.2004517916680482
Energy: 1.404974431654758
Energy: 1.3066516359814742
Energy: 1.404974431654758
Energy: 1.2963324016179778
Energy: 1.3831965815627012
Energy: 1.3798035682546126
Energy: 1.3831965815633893
Energy: 1.2963324016172892
Energy: 1.383196581562013
Energy: 1.4745605106707926
Energy: 1.3754262339478267
Energy: 1.29773715959583
Energy: 1.3754262339485148
Energy: 1.474560510671481
Energy: 1.375426233945762
Energy: 1.253584392712691
Energy: 1.3855066949682633
Energy: 1.3203041759264977
Energy: 1.3855066949682633
Energy: 1.253584392712691
Energy: 1.3855066949682633
Energy: 1.2503485411508977
Energy: 1.378566804216666
Energy: 1.447140541113823
Energy: 1.3785668042159778
Energy: 1.250348541151586
Energy: 1.3785668042159778
Energy: 1.3794759078487764
Energy: 1.4045893852685056
Energy: 1.2263451255197382
Energy: 1.4045893852685056
Energy: 1.379475907848088
Energy: 1.4045893852685056
Energy: 1.3296140134720178
Energy: 1.3497433934259455
Energy: 1.3888823814645985
Energy: 1.349743393424569
Energy: 1.3296140134720178
Energy: 1.349743393424569
Energy: 1.1822129378700297
Energy: 1.3852971866252741
Energy: 1.2950572504073445
Energy: 1.3852971866252741
Energy: 1.1822129378707178
Energy: 1.3852971866252741
Energy: 1.3944413469856551
Energy: 1.3748638072626458
Energy: 1.4633220047605764
Energy: 1.3748638072633343
Energy: 1.3944413469863433
Energy: 1.3748638072619577
Energy: 1.3986456815207744
Energy: 1.3832599147312483
Energy: 1.2541890329511851
Energy: 1.3832599147326248
Energy: 1.3986456815207744
Energy: 1.3832599147319364
Energy: 1.384241020503841
Energy: 1.4052147903315868
Energy: 1.2235681767260287
Energy: 1.4052147903315868
Energy: 1.384241020503841
Energy: 1.4052147903315868
Energy: 1.3814667891785533
Energy: 1.3894750718245736
Energy: 1.3543075630412489
Energy: 1.38947507182595
Energy: 1.3814667891785533
Energy: 1.3894750718245736
Energy: 1.3176210976205263
Energy: 1.4039875327776707
Energy: 1.3074128260490256
Energy: 1.4039875327776707
Energy: 1.3176210976191498
Energy: 1.4039875327776707
Energy: 1.4422956122611854
Energy: 1.35411863308557
Energy: 1.2533350357432058
Energy: 1.3541186330848816
Energy: 1.442295612260497
Energy: 1.3541186330869464
Energy: 1.3792195280677213
Energy: 1.3856399526662269
Energy: 1.2199189241314445
Energy: 1.3856399526662269
Energy: 1.3792195280670327
Energy: 1.3856399526662269

minimum gb energy = 1.1761112611540192 eV
minimum distance =  2.21998949047586 Angstroms
sigma value = 51


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

Energy: 1.4586357523221922
Energy: 1.425718025046189
Energy: 1.3349777514094685
Energy: 1.425718025046189
Energy: 1.4586357523221922
Energy: 1.425718025046189
Energy: 1.302891915947347
Energy: 1.465379441660429
Energy: 1.5274300755012369
Energy: 1.4653794105061428
Energy: 1.3028919159489052
Energy: 1.465379542747299
Energy: 1.1841251054911135
Energy: 1.425291086979305
Energy: 1.5354624457328314
Energy: 1.425291086979305
Energy: 1.1841251054911135
Energy: 1.425291086979305
Energy: 1.1954765526239752
Energy: 1.3658987053678553
Energy: 1.5207415563978028
Energy: 1.3658987053678553
Energy: 1.1954765526239752
Energy: 1.3658987053678553
Energy: 1.1946688020066603
Energy: 1.3644520293537141
Energy: 1.523925129891377
Energy: 1.3644520293553088
Energy: 1.1946688020066603
Energy: 1.3644520293537141
Energy: 1.4616160350732412
Energy: 1.3644541893767457
Energy: 1.566520740134165
Energy: 1.3644541893767457
Energy: 1.4616160350716465
Energy: 1.3644541893767457
Energy: 1.460320575421889
Energy: 1.3680135556934538
Energy: 1.5259400919526036
Energy: 1.3680135556902646
Energy: 1.460320575421889
Energy: 1.3680135556997963
Energy: 1.196003633911907
Energy: 1.3655866387911237
Energy: 1.1763909198053915
Energy: 1.3655866387911237
Energy: 1.196003633911907
Energy: 1.3655866387911237
Energy: 1.459673389285278
Energy: 1.3835558233544123
Energy: 1.2072323071921993
Energy: 1.383555823356007
Energy: 1.459673389428727
Energy: 1.383555823356007
Energy: 1.186530019648704
Energy: 1.452297919852905
Energy: 1.1764488601360281
Energy: 1.4522979198513102
Energy: 1.186530019648704
Energy: 1.452297919852905
Energy: 1.5301319352217622
Energy: 1.365433125724868
Energy: 1.5204394204373175
Energy: 1.365433125724868
Energy: 1.5301319352233569
Energy: 1.365433125724868
Energy: 1.4602607706060222
Energy: 1.425650529056983
Energy: 1.5683774931020065
Energy: 1.425650529056983
Energy: 1.4602607706060222
Energy: 1.4256505290585777
Energy: 1.3373588559309015
Energy: 1.384791972232248
Energy: 1.5421478245058147
Energy: 1.3847919722338426
Energy: 1.3373588559309015
Energy: 1.3847919722338426
Energy: 1.1865318925007065
Energy: 1.4255766235115144
Energy: 1.5341733159930877
Energy: 1.4255766235115144
Energy: 1.1865318925007065
Energy: 1.425576623513109
Energy: 1.1842098886876027
Energy: 1.4257090733250504
Energy: 1.5286178184017514
Energy: 1.425709073326645
Energy: 1.1842098886876027
Energy: 1.425709073326645
Energy: 1.1946780354760995
Energy: 1.371728313488183
Energy: 1.53052375095676
Energy: 1.371728313492967
Energy: 1.1946780354760995
Energy: 1.3717283134897778
Energy: 1.4595058577689306
Energy: 1.4260960300839516
Energy: 1.5641540974550223
Energy: 1.4260960300839516
Energy: 1.4595058577705255
Energy: 1.4260960300839516
Energy: 1.4597852451194977
Energy: 1.3677128439105575
Energy: 1.534600302508914
Energy: 1.3677128439105575
Energy: 1.4597852450748465
Energy: 1.367712843913747

minimum gb energy = 1.1763909198053915 eV
minimum distance =  2.20555868767105 Angstroms
sigma value = 19


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

Energy: 1.5669701096845916
Energy: 1.5466003414117504
Energy: 1.4240692581300358
Energy: 1.5466003414117504
Energy: 1.5669701096845916
Energy: 1.5466003414108043
Energy: 1.2949041096906158
Energy: 1.4693383739602734
Energy: 1.4401881799117056
Energy: 1.4693383739602734
Energy: 1.2949041096906158
Energy: 1.4693383739602734
Energy: 1.2289948556089951
Energy: 1.4810311550651325
Energy: 1.3965735241807204
Energy: 1.4810311550651325
Energy: 1.2289948556089951
Energy: 1.4810311550651325
Energy: 1.285824807657998
Energy: 1.4690271845564635
Energy: 1.3953053466230358
Energy: 1.4690271845564635
Energy: 1.285824807658944
Energy: 1.4690271845564635
Energy: 1.3098005167503497
Energy: 1.5478213586436433
Energy: 1.5382572902291025
Energy: 1.5478213586426972
Energy: 1.3098005167503497
Energy: 1.5478213586436433
Energy: 1.5895696434495923
Energy: 1.5496753633424396
Energy: 1.3097364710706452
Energy: 1.5496753633405476
Energy: 1.5895696434495923
Energy: 1.5496753633367641
Energy: 1.3986030131618226
Energy: 1.4697503845642943
Energy: 1.2870988706816675
Energy: 1.4697503845624025
Energy: 1.3986030131211693
Energy: 1.4697503845624025
Energy: 1.399556064884449
Energy: 1.4809260296553421
Energy: 1.229088641854725
Energy: 1.4809260296553421
Energy: 1.3995560648816112
Energy: 1.4809260296553421
Energy: 1.4392730295464367
Energy: 1.5055232770654927
Energy: 1.2944927424454056
Energy: 1.505523277064547
Energy: 1.4392730295483285
Energy: 1.5055232770673848
Energy: 1.4516179539840959
Energy: 1.5466003414117504
Energy: 1.566970109683646
Energy: 1.5466003414098584
Energy: 1.4516179539840959
Energy: 1.5466003414108043
Energy: 1.4401881799107596
Energy: 1.4693383739612196
Energy: 1.2949041096906158
Energy: 1.4693383739602734
Energy: 1.4401881799107596
Energy: 1.4693383739612196
Energy: 1.3965735241797745
Energy: 1.4810311550641868
Energy: 1.2289948556089951
Energy: 1.4810311550651325
Energy: 1.3965735241769368
Energy: 1.4810311550641868
Energy: 1.395305346621144
Energy: 1.4690271845555174
Energy: 1.4110475904849764
Energy: 1.4690271845564635
Energy: 1.3953053466239818
Energy: 1.4690271845564635
Energy: 1.4795347396008758
Energy: 1.5478213586417515
Energy: 1.3098005167503497
Energy: 1.5478213586426972
Energy: 1.4795347395980378
Energy: 1.5478213586426972
Energy: 1.309736471069699
Energy: 1.549675363338656
Energy: 1.5383201407695688
Energy: 1.5496753633396017
Energy: 1.309736471069699
Energy: 1.549675363335818
Energy: 1.2870988706807214
Energy: 1.4697503845624025
Energy: 1.3986030135390732
Energy: 1.4697503845624025
Energy: 1.2870988706816675
Energy: 1.4697503845633484
Energy: 1.229088641854725
Energy: 1.4809260296543962
Energy: 1.3995560648882326
Energy: 1.4809260296553421
Energy: 1.229088641854725
Energy: 1.4809260296543962
Energy: 1.2944927424454056
Energy: 1.5055232770636011
Energy: 1.4392730295473823
Energy: 1.505523277064547
Energy: 1.2944927424463515
Energy: 1.505523277064547
Energy: 1.5669701096845916
Energy: 1.5466003414108043
Energy: 1.477749291814304
Energy: 1.5466003414117504
Energy: 1.5669701096845916
Energy: 1.5466003414108043
Energy: 1.2949041096906158
Energy: 1.4693383739621655
Energy: 1.4401881799117056
Energy: 1.4693383739612196
Energy: 1.2949041096906158
Energy: 1.4693383739583816
Energy: 1.2289948556080494
Energy: 1.4810311550651325
Energy: 1.396573524175991
Energy: 1.4810311550651325
Energy: 1.2289948556089951
Energy: 1.4810311550641868
Energy: 1.4110475904830844
Energy: 1.4690271845564635
Energy: 1.395305346624928
Energy: 1.4690271845564635
Energy: 1.4110475904830844
Energy: 1.4690271845564635
Energy: 1.309800516749404
Energy: 1.5478213586426972
Energy: 1.479534739597092
Energy: 1.5478213586426972
Energy: 1.3098005167503497
Energy: 1.5478213586426972
Energy: 1.5895696434495923
Energy: 1.5496753633396017
Energy: 1.3097364710706452
Energy: 1.5496753633414935
Energy: 1.5895696434495923
Energy: 1.5496753633433855
Energy: 1.398603013649703
Energy: 1.4697503845605104
Energy: 1.2486577724126755
Energy: 1.4697503845614566
Energy: 1.398603013567451
Energy: 1.4697503845605104
Energy: 1.399556064883503
Energy: 1.4809260296553421
Energy: 1.229088641854725
Energy: 1.4809260296543962
Energy: 1.3995560648825571
Energy: 1.4809260296553421
Energy: 1.4392730295473823
Energy: 1.505523277061709
Energy: 1.2944927424463515
Energy: 1.5055232770636011
Energy: 1.4392730295464367
Energy: 1.5055232770607632
Energy: 1.477749291814304
Energy: 1.5466003414108043
Energy: 1.5669701096826998
Energy: 1.5466003414108043
Energy: 1.477749291814304
Energy: 1.5466003414108043
Energy: 1.4401881799117056
Energy: 1.4693383739612196
Energy: 1.2949041096896696
Energy: 1.4693383739602734
Energy: 1.4401881799145435
Energy: 1.4693383739602734
Energy: 1.3965735241778825
Energy: 1.4810311550651325
Energy: 1.2289948556089951
Energy: 1.4810311550651325
Energy: 1.396573524175045
Energy: 1.4810311550651325

minimum gb energy = 1.2289948556080494 eV
minimum distance =  2.19814823339666 Angstroms
sigma value = 27


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

Energy: 1.1959109316610539
Energy: 1.3744788361227274
Energy: 1.502688565128271
Energy: 1.3744788361227274
Energy: 1.1959109316608434
Energy: 1.3744788361227274
Energy: 1.1834232742484492
Energy: 1.3750411803558689
Energy: 1.2248689750966137
Energy: 1.3750411803588969
Energy: 1.183423274248212
Energy: 1.3750411803581861
Energy: 1.2121453527372505
Energy: 1.5130631376528663
Energy: 1.2251072814073072
Energy: 1.513063137654025
Energy: 1.2121453527368027
Energy: 1.5130631376514707
Energy: 1.193015081566885
Energy: 1.3746031393866551
Energy: 1.2102833262230275
Energy: 1.3746031393871028
Energy: 1.193015081566437
Energy: 1.3746031393861815
Energy: 1.2264881207916691
Energy: 1.3824240716155465
Energy: 1.2116583888801116
Energy: 1.3824240716160205
Energy: 1.226488120791906
Energy: 1.3824240716157836
Energy: 1.209963343195684
Energy: 1.526558337570559
Energy: 1.2247537387762275
Energy: 1.5265583375707958
Energy: 1.20996334319521
Energy: 1.5265583375694003
Energy: 1.2246772831451762
Energy: 1.3429152997373834
Energy: 1.2099747976219806
Energy: 1.3429152997466516
Energy: 1.2246772831451762
Energy: 1.3429152997353033
Energy: 1.1935044740400198
Energy: 1.3822871007648172
Energy: 1.2282497069401017
Energy: 1.3822871007650543
Energy: 1.193504474039335
Energy: 1.3822871007650543
Energy: 1.2099668495895206
Energy: 1.3824403739718776
Energy: 1.187243701213248
Energy: 1.3824403739711666
Energy: 1.2099668495893101
Energy: 1.3824403739718776
Energy: 1.2129747213784738
Energy: 1.4679747752287704
Energy: 1.212980229624878
Energy: 1.4679747752282963
Energy: 1.2129747213787108
Energy: 1.4679747752280592
Energy: 1.3408692025063549
Energy: 1.3827100589311128
Energy: 1.2100341889164563
Energy: 1.3827100589294805
Energy: 1.3408692025063549
Energy: 1.3827100589322712
Energy: 1.228070286831571
Energy: 1.3822432422263395
Energy: 1.1936988477520478
Energy: 1.3822432422267872
Energy: 1.2280702868313338
Energy: 1.3822432422265767

minimum gb energy = 1.183423274248212 eV
minimum distance =  2.2285066470498 Angstroms
sigma value = 9


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

Energy: 1.6105510126544564
Energy: 1.5736705887916262
Energy: 1.3615344224667019
Energy: 1.5736705887922773
Energy: 1.6105510126544564
Energy: 1.5736705887922773
Energy: 1.435629123356106
Energy: 1.5197557341547239
Energy: 1.3383061898249766
Energy: 1.5197557341540728
Energy: 1.435629123354804
Energy: 1.5056056081071858
Energy: 1.30005628446561
Energy: 1.5261417964264927
Energy: 1.3181054918662796
Energy: 1.5261417964271435
Energy: 1.300056284466261
Energy: 1.5261417964264927
Energy: 1.2571224900060727
Energy: 1.4940784413078492
Energy: 1.234320746220921
Energy: 1.4940784413085002
Energy: 1.2571224900054216
Energy: 1.4940784413078492
Energy: 1.2564609080911036
Energy: 1.4908220166960333
Energy: 1.2344644045698239
Energy: 1.4908220166960333
Energy: 1.2564609080911036
Energy: 1.4908220166953823
Energy: 1.238882408841742
Energy: 1.4608734476437526
Energy: 1.331231246080563
Energy: 1.47391922173678
Energy: 1.2388824088430443
Energy: 1.4608734476431016
Energy: 1.4943205625702367
Energy: 1.520105363019891
Energy: 1.3254990581798323
Energy: 1.520105363017938
Energy: 1.4943205625708875
Energy: 1.520105363019891
Energy: 1.433809710561394
Energy: 1.490407374238061
Energy: 1.3507872839763322
Energy: 1.490407374238061
Energy: 1.433809710561394
Energy: 1.490407374238061
Energy: 1.4348695991184548
Energy: 1.5186951178345791
Energy: 1.32897254128038
Energy: 1.51869511783523
Energy: 1.4348695991197569
Energy: 1.518695117835881
Energy: 1.4372729114701488
Energy: 1.5280674843895596
Energy: 1.2663435466166808
Energy: 1.5280674843889086
Energy: 1.4372729114688465
Energy: 1.5280674843908615
Energy: 1.485420054922019
Energy: 1.5096673703458703
Energy: 1.3317042402331112
Energy: 1.5096673703445684
Energy: 1.4854200549213679
Energy: 1.5096673703439174
Energy: 1.3072931889238901
Energy: 1.489941383094052
Energy: 1.306660899684741
Energy: 1.489941383094052
Energy: 1.307293188923239
Energy: 1.489941383094703
Energy: 1.2427157517957153
Energy: 1.4464760478905323
Energy: 1.2398190598582954
Energy: 1.4464760478898813
Energy: 1.2427157517957153
Energy: 1.4464760478905323
Energy: 1.453038449112736
Energy: 1.5464386629855564
Energy: 1.2428436582159441
Energy: 1.5464386629888116
Energy: 1.453038449112736
Energy: 1.5464386629842544
Energy: 1.3088062603788404
Energy: 1.5126413889888735
Energy: 1.3668841424887692
Energy: 1.5126413889895245
Energy: 1.3088062603781896
Energy: 1.5126413889882226
Energy: 1.3756684712937792
Energy: 1.4931510612511252
Energy: 1.2988495188916358
Energy: 1.4931510612511252
Energy: 1.3756684712944303
Energy: 1.4931510612511252
Energy: 1.4393760264374447
Energy: 1.534211587695203
Energy: 1.3270618766146687
Energy: 1.534211587694552
Energy: 1.4393760264380957
Energy: 1.534211587694552
Energy: 1.309451913116218
Energy: 1.448944197996565
Energy: 1.3213701880847895
Energy: 1.44894419799982
Energy: 1.309451913116218
Energy: 1.448944197999169
Energy: 1.4346673875359486
Energy: 1.5573360749737066
Energy: 1.2427294153128945
Energy: 1.5573360749750087
Energy: 1.4346673875359486
Energy: 1.5573360749750087
Energy: 1.2388228517942803
Energy: 1.5977372726102008
Energy: 1.2416110593851777
Energy: 1.5977372726102008
Energy: 1.238822851792978
Energy: 1.5977372726102008
Energy: 1.243363119393982
Energy: 1.557299657022056
Energy: 1.434656539390098
Energy: 1.557299657020754
Energy: 1.243363119393982
Energy: 1.557299657020754
Energy: 1.3212341692944165
Energy: 1.4507530135253397
Energy: 1.3096990608460586
Energy: 1.4507530135220845
Energy: 1.3212341692944165
Energy: 1.4507530135233866
Energy: 1.3269747669855174
Energy: 1.534217930114287
Energy: 1.439231673978144
Energy: 1.534217930114287
Energy: 1.3269747669842153
Energy: 1.534217930111683
Energy: 1.305575193068301
Energy: 1.4934918255736689
Energy: 1.3760191842461769
Energy: 1.4934918255717158
Energy: 1.305575193068952
Energy: 1.493491825576273
Energy: 1.3632648212664444
Energy: 1.513273171069105
Energy: 1.308767684113846
Energy: 1.513273171069105
Energy: 1.3632648212670955
Energy: 1.513273171069756
Energy: 1.244559219337483
Energy: 1.5466762384064194
Energy: 1.4532712580330445
Energy: 1.5466762384051174
Energy: 1.2445592193212367
Energy: 1.5466762384057686
Energy: 1.2426128115661355
Energy: 1.4433881675226734
Energy: 1.2427071289586933
Energy: 1.4433881675226734
Energy: 1.2426128115641824
Energy: 1.4433881675226734
Energy: 1.30055632639984
Energy: 1.4901580120367837
Energy: 1.3065992345524085
Energy: 1.4901580120367837
Energy: 1.3005563264017932
Energy: 1.4901580120374347
Energy: 1.3317392170654223
Energy: 1.5096914789570341
Energy: 1.360700540907441
Energy: 1.5096914789570341
Energy: 1.3317392170647713
Energy: 1.5096914789596383
Energy: 1.2663998248035615
Energy: 1.5275669266252263
Energy: 1.4375409450962948
Energy: 1.5275669266245753
Energy: 1.2663998248042125
Energy: 1.5275669266258773
Energy: 1.3348264375381182
Energy: 1.5186951178371833
Energy: 1.430811275682882
Energy: 1.5186951178378343
Energy: 1.3348264375361651
Energy: 1.5186951178391361
Energy: 1.3470573069828575
Energy: 1.4903535767951333
Energy: 1.433748284883409
Energy: 1.4903535767951333
Energy: 1.3470573069835086
Energy: 1.4903535767951333
Energy: 1.3261753996432906
Energy: 1.520100139419684
Energy: 1.6211911853623293
Energy: 1.5201001394209863
Energy: 1.3261753996394137
Energy: 1.52010013941708
Energy: 1.3016720526666417
Energy: 1.4439405806486025
Energy: 1.2388683422069133
Energy: 1.4439405806492536
Energy: 1.3016720526451873
Energy: 1.4439405806486025
Energy: 1.2722670915816015
Energy: 1.4905101966014445
Energy: 1.2564570450578696
Energy: 1.4905101966007934
Energy: 1.272267091572487
Energy: 1.4905101966014445
Energy: 1.2351701854662502
Energy: 1.4939765924312942
Energy: 1.257128043968093
Energy: 1.4939765924306432
Energy: 1.2351701854662502
Energy: 1.4939765924306432
Energy: 1.3193788156260593
Energy: 1.526371143877894
Energy: 1.3001673450482354
Energy: 1.526371143877894
Energy: 1.3193788156260593
Energy: 1.526371143878545
Energy: 1.3281928408349073
Energy: 1.505605608111092
Energy: 1.4351116155866606
Energy: 1.505605608111092
Energy: 1.3281928408342563
Energy: 1.505605608111092
Energy: 1.4936788223528688
Energy: 1.5736705887909754
Energy: 1.6105510126544564
Energy: 1.5736705887909754
Energy: 1.4936788223522175
Energy: 1.5736705887909754
Energy: 1.3383061898243256
Energy: 1.5355158209271837
Energy: 1.435629123353502
Energy: 1.535515820928486
Energy: 1.3383061898243256
Energy: 1.5355158209271837
Energy: 1.3181054918669306
Energy: 1.5261417964258417
Energy: 1.3000562844669121
Energy: 1.5261417964271435
Energy: 1.3181054918682324
Energy: 1.5261417964264927
Energy: 1.2343207462202697
Energy: 1.4940784413071984
Energy: 1.2571224900054216
Energy: 1.4940784413078492
Energy: 1.234320746222223
Energy: 1.4940784413071984
Energy: 1.2344644045724278
Energy: 1.4908220166960333
Energy: 1.2564609080911036
Energy: 1.4908220166960333
Energy: 1.2344644045724278
Energy: 1.4908220166960333

minimum gb energy = 1.2343207462202697 eV
minimum distance =  2.18702898880075 Angstroms
sigma value = 57


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

Energy: 1.3857565922073602
Energy: 1.4401621060040446
Energy: 1.2645085840165042
Energy: 1.4401621060069747
Energy: 1.3857565922073602
Energy: 1.4401621060054928
Energy: 1.4185629780837483
Energy: 1.4732910907391576
Energy: 1.1522749843801177
Energy: 1.4732910907406398
Energy: 1.4185629780837483
Energy: 1.4732910907347119
Energy: 1.1308841757838146
Energy: 1.4151078565259807
Energy: 1.2701728149576195
Energy: 1.4151078565259807
Energy: 1.1308841757838146
Energy: 1.4151078565244983
Energy: 1.151752943753277
Energy: 1.4130202968194066
Energy: 1.1574958360594774
Energy: 1.4130202968194066
Energy: 1.151752943753277
Energy: 1.4130202968194066
Energy: 1.1521597342126184
Energy: 1.4445497342326612
Energy: 1.1573349884001505
Energy: 1.4445497342311795
Energy: 1.1521597342126184
Energy: 1.4445497342326612
Energy: 1.4392891427178796
Energy: 1.412510088064206
Energy: 1.1314354263266135
Energy: 1.412510088064206
Energy: 1.4392891427163976
Energy: 1.412510088064206
Energy: 1.4389618944896292
Energy: 1.4127063836281568
Energy: 1.1322637297464548
Energy: 1.4127063836281568
Energy: 1.4389618944896292
Energy: 1.4127063836296387
Energy: 1.1523137569739663
Energy: 1.4395128137688624
Energy: 1.1575485331769948
Energy: 1.4395128137688624
Energy: 1.1523137569739663
Energy: 1.4395128137688624
Energy: 1.151594979896149
Energy: 1.4133038933280127
Energy: 1.2203668865741293
Energy: 1.4133038933280127
Energy: 1.151594979896149
Energy: 1.4133038933280127
Energy: 1.1308515795514889
Energy: 1.4147622067900274
Energy: 1.2707847010254807
Energy: 1.4147622067900274
Energy: 1.1308515795514889
Energy: 1.4147622067900274
Energy: 1.4182930594922958
Energy: 1.4732910907376757
Energy: 1.2192287038854857
Energy: 1.4732910907391576
Energy: 1.4182930594922958
Energy: 1.4732910907406398
Energy: 1.3857565922073602
Energy: 1.4401621060040446
Energy: 1.360435756614942
Energy: 1.4401621060069747
Energy: 1.3857565922073602
Energy: 1.4401621060054928
Energy: 1.4185629780852302
Energy: 1.4732910907361938
Energy: 1.1522749843801177
Energy: 1.4732910907406398
Energy: 1.4185629780837483
Energy: 1.47329109073323
Energy: 1.1308841757838146
Energy: 1.4151078565259807
Energy: 1.2701728149591014
Energy: 1.4151078565259807
Energy: 1.1308841757838146
Energy: 1.4151078565259807
Energy: 1.151752943753277
Energy: 1.4130202968194066
Energy: 1.1574958360594774
Energy: 1.4130202968194066
Energy: 1.151752943753277
Energy: 1.4130202968194066
Energy: 1.1521597342126184
Energy: 1.4445497342326612
Energy: 1.1573349883972202
Energy: 1.4445497342341433
Energy: 1.1521597342126184
Energy: 1.4445497342326612
Energy: 1.4392891427178796
Energy: 1.4125100880627244
Energy: 1.1314354263251316
Energy: 1.4125100880656882
Energy: 1.4392891427163976
Energy: 1.4125100880627244
Energy: 1.4389618944911111
Energy: 1.4127063836296387
Energy: 1.1322637297464548
Energy: 1.4127063836296387
Energy: 1.4389618944911111
Energy: 1.4127063836296387
Energy: 1.1523137569739663
Energy: 1.4395128137688624
Energy: 1.1575485331769948
Energy: 1.4395128137688624
Energy: 1.1523137569739663
Energy: 1.4395128137688624

minimum gb energy = 1.1308515795514889 eV
minimum distance =  2.18075863408285 Angstroms
sigma value = 11


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

Energy: 1.3298151796073983
Energy: 1.3641086830919036
Energy: 1.350165793191961
Energy: 1.364108683090818
Energy: 1.3298151794500885
Energy: 1.3641086830919036
Energy: 1.7374449233831415
Energy: 1.3044642562548237
Energy: 1.0788270029412264
Energy: 1.304464256251567
Energy: 1.7374449233831415
Energy: 1.3044642562493958
Energy: 1.2581514321901064
Energy: 1.3637614825200972
Energy: 1.1123693882640548
Energy: 1.3637614825190116
Energy: 1.2581514321857639
Energy: 1.3637614825211828
Energy: 1.48479525322416
Energy: 1.3297285122422244
Energy: 1.1070828936138009
Energy: 1.32972851224331
Energy: 1.4847952532285023
Energy: 1.3297285122443958
Energy: 1.1157048523173692
Energy: 1.4127034224313362
Energy: 1.1013057955212042
Energy: 1.4127034224324218
Energy: 1.1157048523173692
Energy: 1.4127034224313362
Energy: 1.1774754685366364
Energy: 1.3644782629629766
Energy: 1.1779812046799483
Energy: 1.3644782629629766
Energy: 1.1774754685366364
Energy: 1.3644782629629766
Energy: 1.1206066588946468
Energy: 1.3976851391034173
Energy: 1.1764623806038117
Energy: 1.3976851391034173
Energy: 1.1206066588946468
Energy: 1.3976851391034173
Energy: 1.383774783467398
Energy: 1.3756293043115442
Energy: 1.0886627746431738
Energy: 1.3756293043104586
Energy: 1.3837747834663126
Energy: 1.3756293043104586
Energy: 1.384250343289404
Energy: 1.370685869072999
Energy: 1.411000553184876
Energy: 1.370685869072999
Energy: 1.3842503432883182
Energy: 1.370685869072999
Energy: 1.1191685685610009
Energy: 1.3091074483451515
Energy: 1.1760194023698063
Energy: 1.309107448344066
Energy: 1.1191685685610009
Energy: 1.309107448344066
Energy: 1.1788568920273117
Energy: 1.3604218606744873
Energy: 1.1760645264595897
Energy: 1.3604218606744873
Energy: 1.1788568920273117
Energy: 1.3604218606766583
Energy: 1.1148956017535265
Energy: 1.3756338338275758
Energy: 1.1084152448385527
Energy: 1.3756338338275758
Energy: 1.114895601752441
Energy: 1.3756338338275758
Energy: 1.6148403127243474
Energy: 1.3214126486606248
Energy: 1.0980837733393058
Energy: 1.3214126486573678
Energy: 1.6148403127243474
Energy: 1.3214126486573678
Energy: 1.1810747283914487
Energy: 1.3534856108259365
Energy: 1.1078116422500408
Energy: 1.3534856108270223
Energy: 1.1810747283881917
Energy: 1.3534856108248512
Energy: 1.8689467461397162
Energy: 1.3053068091245599
Energy: 1.076519369961474
Energy: 1.3053068091267308
Energy: 1.8689467461397162
Energy: 1.3053068091245599
Energy: 1.2055459409553626
Energy: 1.3586925948770683
Energy: 1.2009681401004244
Energy: 1.3586925948770683
Energy: 1.2055459409586191
Energy: 1.3586925948770683
Energy: 1.7444487069921295
Energy: 1.3294729871745763
Energy: 1.0803038820286266
Energy: 1.3294729871756616
Energy: 1.7444487069932149
Energy: 1.3294729871756616
Energy: 1.1777675093397812
Energy: 1.3495534551188682
Energy: 1.178137332611446
Energy: 1.3495534551199537
Energy: 1.177767509335439
Energy: 1.3495534551177826
Energy: 1.4834214627119684
Energy: 1.3286837447073279
Energy: 1.1048124012623242
Energy: 1.3286837447084132
Energy: 1.4834214627119684
Energy: 1.3286837447073279
Energy: 1.114768348914436
Energy: 1.3793210731421328
Energy: 1.1831185455517927
Energy: 1.3793210731432182
Energy: 1.114768348914436
Energy: 1.3793210731432182
Energy: 1.548562719095681
Energy: 1.36154740900362
Energy: 1.1747418945776111
Energy: 1.36154740900362
Energy: 1.548562719095681
Energy: 1.36154740900362
Energy: 1.1194741659994851
Energy: 1.4020410006147066
Energy: 1.1763416985724486
Energy: 1.402041000615792
Energy: 1.1194741659983996
Energy: 1.4020410006136208
Energy: 1.39059061995816
Energy: 1.372175305197
Energy: 1.092715729957949
Energy: 1.372175305197
Energy: 1.39059061995816
Energy: 1.372175305197
Energy: 1.0670873214926802
Energy: 1.3869734047909912
Energy: 1.462651738144714
Energy: 1.3869734047909912
Energy: 1.0670873214915944
Energy: 1.3869734047909912
Energy: 1.1189107271181058
Energy: 1.3059813849856199
Energy: 1.1791073351313273
Energy: 1.3059813849856199
Energy: 1.1189107271181058
Energy: 1.3059813849856199
Energy: 1.1807893144508472
Energy: 1.3609289298939256
Energy: 1.1765289899910942
Energy: 1.3609289298950114
Energy: 1.1807893144508472
Energy: 1.3609289298939256

minimum gb energy = 1.0670873214915944 eV
minimum distance =  2.1840576230874 Angstroms
sigma value = 41


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

Energy: 1.5516018567004155
Energy: 1.342491585652999
Energy: 1.292407499796093
Energy: 1.3424915856521433
Energy: 1.5516018566995602
Energy: 1.3424915856512876
Energy: 1.714321000950639
Energy: 1.205144049419949
Energy: 0.9950318615951268
Energy: 1.205144049419949
Energy: 1.7143210009497833
Energy: 1.2051440494190935
Energy: 1.0696274817825526
Energy: 1.2645985693884965
Energy: 1.0202689447295836
Energy: 1.264598569389352
Energy: 1.069627481779986
Energy: 1.264598569389352
Energy: 1.5079765966511913
Energy: 1.17856642874979
Energy: 0.9932851998976873
Energy: 1.17856642874979
Energy: 1.5079765966529024
Energy: 1.1785664287506454
Energy: 1.1122340559515913
Energy: 1.1890874590281233
Energy: 1.0133322340587083
Energy: 1.1890874590289788
Energy: 1.1122340559533026
Energy: 1.1890874590298344
Energy: 1.303901842606685
Energy: 1.2443025643101453
Energy: 0.9980860787489448
Energy: 1.2443025643110008
Energy: 1.303901842606685
Energy: 1.2443025643101453
Energy: 0.9952900912498627
Energy: 1.252807225626564
Energy: 0.9947920580444931
Energy: 1.2528072256257086
Energy: 0.9952900912498627
Energy: 1.2528072256257086
Energy: 1.3538638418687603
Energy: 1.254116989692644
Energy: 1.015486749679524
Energy: 1.254116989692644
Energy: 1.3538638418687603
Energy: 1.254116989692644
Energy: 1.010913600776609
Energy: 1.1911075382508538
Energy: 1.1534690456401466
Energy: 1.191107538252565
Energy: 1.010913600776609
Energy: 1.1911075382517093
Energy: 1.3133078173179782
Energy: 1.2526906162038005
Energy: 1.3101762234776968
Energy: 1.2526906162038005
Energy: 1.3133078173196895
Energy: 1.2526906162038005
Energy: 1.3128817520063627
Energy: 1.252786071020314
Energy: 1.3044618302177569
Energy: 1.252786071018603
Energy: 1.3128817520063627
Energy: 1.2527860710194587
Energy: 1.004883658424662
Energy: 1.2718682128715308
Energy: 1.0139280878717167
Energy: 1.2718682128706755
Energy: 1.0048836584255179
Energy: 1.2718682128715308
Energy: 1.0104157766564748
Energy: 1.245162347363116
Energy: 1.1541770765164336
Energy: 1.2451623473639715
Energy: 1.0104157766564748
Energy: 1.2451623473639715
Energy: 0.9928920432689265
Energy: 1.2524412335129884
Energy: 0.993605990758805
Energy: 1.2524412335129884
Energy: 0.9928920432689265
Energy: 1.2524412335121329
Energy: 1.309395605299561
Energy: 1.2453314400396134
Energy: 0.9940736585910931
Energy: 1.2453314400387576
Energy: 1.309395605299561
Energy: 1.2453314400387576
Energy: 0.9964909338717468
Energy: 1.2797964633085226
Energy: 0.9928214834708746
Energy: 1.2797964633085226
Energy: 0.9964909338717468
Energy: 1.2797964633076668
Energy: 1.2918193997250753
Energy: 1.273209825984923
Energy: 1.0137746149125604
Energy: 1.2732098259857787
Energy: 1.2918193997242198
Energy: 1.2732098259866342
Energy: 1.0162677947205487
Energy: 1.2533193446674182
Energy: 1.0064311896287284
Energy: 1.2533193446674182
Energy: 1.0162677947222598
Energy: 1.2533193446674182
Energy: 1.719898131940394
Energy: 1.205208407308072
Energy: 0.9947246604056681
Energy: 1.2052084073089275
Energy: 1.719898131936972
Energy: 1.2052084073089275
Energy: 1.305925565417754
Energy: 1.2783540506219546
Energy: 1.3124076171300572
Energy: 1.2783540506228104
Energy: 1.3059255650705286
Energy: 1.2783540506228104
Energy: 1.7094058445664464
Energy: 1.2049258748769802
Energy: 1.0015631822077216
Energy: 1.2049258748786915
Energy: 1.7094058445664464
Energy: 1.204925874879547
Energy: 1.0166581514125081
Energy: 1.253021668575632
Energy: 1.0087915077988838
Energy: 1.253021668575632
Energy: 1.0166581514022408
Energy: 1.253021668575632
Energy: 1.506002751984739
Energy: 1.1788427082183643
Energy: 0.9941397814255792
Energy: 1.1788427082183643
Energy: 1.5060027519855947
Energy: 1.1788427082183643
Energy: 0.9945456188037198
Energy: 1.2157438256143498
Energy: 1.1548287083010467
Energy: 1.2157438256143498
Energy: 0.9945456188020086
Energy: 1.2157438256143498
Energy: 1.1546890511698809
Energy: 1.2442506124825887
Energy: 0.9982974149505139
Energy: 1.244250612481733
Energy: 1.1546890511698809
Energy: 1.244250612481733
Energy: 0.9927797412068563
Energy: 1.2157304777133904
Energy: 1.1416714426673136
Energy: 1.215730477714246
Energy: 0.9927797412068563
Energy: 1.2157304777125346
Energy: 1.3519028200263978
Energy: 1.2526061250972504
Energy: 1.016853111962264
Energy: 1.2526061250963947
Energy: 1.3519028200246865
Energy: 1.2526061250972504
Energy: 1.0052705176715748
Energy: 1.2242857516954622
Energy: 1.5002864229959123
Energy: 1.2242857516946066
Energy: 1.0052705176724301
Energy: 1.2242857516946066
Energy: 1.3120897920800498
Energy: 1.2532942564472196
Energy: 1.3102535515457276
Energy: 1.2532942564472196
Energy: 1.3120897920809056
Energy: 1.2532942564480751
Energy: 0.9928638156721973
Energy: 1.2482762405107222
Energy: 1.3106804190408083
Energy: 1.2482762405098666
Energy: 0.9928638156721973
Energy: 1.2482762405107222
Energy: 1.0048555428589778
Energy: 1.2525506618320639
Energy: 1.0149515815405104
Energy: 1.2525506618312083
Energy: 1.0048555428589778
Energy: 1.2525506618312083
Energy: 1.00500107971217
Energy: 1.2441094518556342
Energy: 1.2877078149662395
Energy: 1.2441094518547786
Energy: 1.00500107971217
Energy: 1.2441094518547786
Energy: 0.9947752084881066
Energy: 1.2526376071026353
Energy: 0.99687912918447
Energy: 1.2526376071026353
Energy: 0.9947752084881066
Energy: 1.2526376071026353

minimum gb energy = 0.9927797412068563 eV
minimum distance =  2.23068324901381 Angstroms
sigma value = 33


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

Energy: 1.2949743253426667
Energy: 1.1323637843157
Energy: 1.1880211486716339
Energy: 1.1323637843133527
Energy: 1.2949743253438677
Energy: 1.1323637843169008
Energy: 1.8579713762589078
Energy: 1.0361903710785136
Energy: 0.8922539087100368
Energy: 1.0361903710731637
Energy: 1.8579713762589078
Energy: 1.0361903710743647
Energy: 1.2753515280146261
Energy: 1.1303478402577605
Energy: 1.0413186306677031
Energy: 1.1303478402553588
Energy: 1.2753515280152268
Energy: 1.130347840255959
Energy: 1.7167010628553012
Energy: 1.023164391053236
Energy: 0.8924285687801795
Energy: 1.023164391055638
Energy: 1.7167010628553012
Energy: 1.023164391055638
Energy: 0.9450970004827691
Energy: 1.1049337262137715
Energy: 0.899721483346924
Energy: 1.1049337262137715
Energy: 0.945097000579392
Energy: 1.1049337262137715
Energy: 1.376610770319363
Energy: 1.0756434573586648
Energy: 0.8925590474109102
Energy: 1.0756434573586648
Energy: 1.3766107703199635
Energy: 1.0756434573580642
Energy: 0.9297160173506891
Energy: 1.0892660496203526
Energy: 0.8902362361339697
Energy: 1.0892660496197522
Energy: 0.929716017349488
Energy: 1.0892660496197522
Energy: 1.235752035778115
Energy: 1.0781377410303923
Energy: 0.9004758118135013
Energy: 1.0781377410309927
Energy: 1.235752035779316
Energy: 1.0781377410309927
Energy: 0.911989879765157
Energy: 1.1050731820727813
Energy: 1.065827026886893
Energy: 1.1050731820709798
Energy: 0.9119898797645564
Energy: 1.1050731820733815
Energy: 1.0938856181125807
Energy: 1.1088802987403128
Energy: 1.1866688292630299
Energy: 1.1088802987403128
Energy: 1.0938856181119803
Energy: 1.1088802987403128
Energy: 0.9063686699673094
Energy: 1.0890442901706059
Energy: 1.107418619357785
Energy: 1.0890442901706059
Energy: 0.9063686699673094
Energy: 1.0890442901706059
Energy: 1.4024775085258023
Energy: 1.123899045468655
Energy: 1.1300197986572877
Energy: 1.1238990454680546
Energy: 1.402477508525202
Energy: 1.123899045468655
Energy: 1.0989328140651822
Energy: 1.1059022520288617
Energy: 1.329609363375964
Energy: 1.1059022520312636
Energy: 1.0989328140651822
Energy: 1.105902252033065
Energy: 1.1289966727857388
Energy: 1.1238967029915312
Energy: 1.4036958965071455
Energy: 1.1238967029915312
Energy: 1.1289966727851382
Energy: 1.1238967029915312
Energy: 1.1054175391781111
Energy: 1.0820539987397488
Energy: 1.3880929037895373
Energy: 1.0820539987409499
Energy: 1.1054175391775105
Energy: 1.0820539987415503
Energy: 1.100044988091914
Energy: 1.1249165555890057
Energy: 1.1287989522333255
Energy: 1.1249165555890057
Energy: 1.100044988091914
Energy: 1.1249165555890057
Energy: 1.0978273376836343
Energy: 1.1052259469443517
Energy: 1.329186925879309
Energy: 1.1052259469449521
Energy: 1.0978273376836343
Energy: 1.105225946943751
Energy: 0.8905423360564888
Energy: 1.1242116834699711
Energy: 1.1064534008565259
Energy: 1.1242116834693705
Energy: 0.8905423360558883
Energy: 1.1242116834693705
Energy: 1.1072552939100384
Energy: 1.1030414399964195
Energy: 1.0948800027119852
Energy: 1.1030414399964195
Energy: 1.1072552939100384
Energy: 1.1030414399958193
Energy: 0.898683180287256
Energy: 1.1244569081947313
Energy: 0.9009011349209811
Energy: 1.124456908195332
Energy: 0.8986831802866556
Energy: 1.1244569081947313
Energy: 1.0988507282100572
Energy: 1.1041449275779431
Energy: 1.0671112877463742
Energy: 1.104144927577343
Energy: 1.0988507282094566
Energy: 1.1041449275797446
Energy: 0.9131445605074545
Energy: 1.1240242664815137
Energy: 0.89282192496392
Energy: 1.1240242664809132
Energy: 0.9131445605038516
Energy: 1.1240242664815137
Energy: 1.3850796312050815
Energy: 1.116066225530261
Energy: 0.8898792254558323
Energy: 1.1160662255284595
Energy: 1.3850796312038807
Energy: 1.1160662255278588
Energy: 0.9329025153841078
Energy: 1.1247387786014946
Energy: 0.8927422318509534
Energy: 1.1247387786014946
Energy: 0.9329025153841078
Energy: 1.1247387786008942
Energy: 1.3834488125674613
Energy: 1.1050955990331055
Energy: 0.992450345087378
Energy: 1.1050955990331055
Energy: 1.383448812560856
Energy: 1.105095599033706
Energy: 1.2541580684381246
Energy: 1.124057130168015
Energy: 0.8965916435820236
Energy: 1.1240571301674145
Energy: 1.2541580684375242
Energy: 1.124057130168015
Energy: 1.8593079367017185
Energy: 1.0530595638753142
Energy: 0.8900718317445849
Energy: 1.053059563874113
Energy: 1.8593079367005176
Energy: 1.0530595638747138
Energy: 1.151215910348005
Energy: 1.1236617052206668
Energy: 1.1370249848857925
Energy: 1.1236617052200664
Energy: 1.151215910349206
Energy: 1.1236617052206668
Energy: 1.5344957081901607
Energy: 1.0950413757451085
Energy: 0.9919717000394304
Energy: 1.0950413757457087
Energy: 1.5344957081895603
Energy: 1.09504137574691
Energy: 1.1200351331793854
Energy: 1.1238157868360437
Energy: 1.1141120732405367
Energy: 1.1238157868366443
Energy: 1.1200351324351163
Energy: 1.1238157868366443
Energy: 1.5408716282074622
Energy: 1.0241649402458786
Energy: 0.8902880881930507
Energy: 1.0241649402458786
Energy: 1.5408716282068615
Energy: 1.0241649402464787
Energy: 0.9198444378288249
Energy: 1.1080416568188003
Energy: 1.1227572690884886
Energy: 1.1080416568181997
Energy: 0.9198444378378321
Energy: 1.1080416568181997
Energy: 1.2377865684302913
Energy: 1.0750503412026233
Energy: 0.8987345334136833
Energy: 1.0750503412026233
Energy: 1.2377865684296911
Energy: 1.075050341202023
Energy: 0.9099566774973203
Energy: 1.078222170325977
Energy: 1.4167849864105397
Energy: 1.0782221703265773
Energy: 0.9099566774967198
Energy: 1.0782221703253763
Energy: 1.4168488628408695
Energy: 1.0782010768461499
Energy: 0.9118647877774427
Energy: 1.0782010768479513
Energy: 1.4168488628408695
Energy: 1.0782010768473507
Energy: 0.8984127699815361
Energy: 1.075436873427153
Energy: 1.2368208376416199
Energy: 1.0754368734265527
Energy: 0.8984127699815361
Energy: 1.0754368734265527
Energy: 1.1227043802526935
Energy: 1.108287711747938
Energy: 0.9311939269770978
Energy: 1.1082877117485386
Energy: 1.1227043802526935
Energy: 1.1082877117485386
Energy: 0.8903808118651899
Energy: 1.0235026024978486
Energy: 1.5404918660663056
Energy: 1.0235026024978486
Energy: 0.8903808118651899
Energy: 1.0235026024984488
Energy: 1.1141120732405367
Energy: 1.1235078202523805
Energy: 1.2541021775949188
Energy: 1.123507820254182
Energy: 1.1141120732405367
Energy: 1.1235078202529811
Energy: 1.1020596455788674
Energy: 1.095021005392597
Energy: 1.5343514726695926
Energy: 1.0950210053919966
Energy: 1.102059645579468
Energy: 1.095021005392597
Energy: 1.1353553725286034
Energy: 1.1241696439381388
Energy: 1.1499320885107762
Energy: 1.1241696439381388
Energy: 1.1353553725286034
Energy: 1.1241696439381388
Energy: 0.8900508949010153
Energy: 1.0519811696680073
Energy: 1.8588181067908114
Energy: 1.0519811696680073
Energy: 0.8900508949010153
Energy: 1.0519811696674066
Energy: 0.8966570290055441
Energy: 1.1241863740106466
Energy: 1.1244017277218892
Energy: 1.1241863740094458
Energy: 0.8966570290049435
Energy: 1.1241863740100464
Energy: 1.102274930576816
Energy: 1.104860297411933
Energy: 1.3864969342003044
Energy: 1.104860297413134
Energy: 1.1022749305750146
Energy: 1.1048602974113326
Energy: 0.8924312656906825
Energy: 1.1242489235049824
Energy: 0.9314507743962064
Energy: 1.1242489235061832
Energy: 0.8924312656912832
Energy: 1.1242489235073843
Energy: 0.8899214314487783
Energy: 1.1160662255290599
Energy: 1.386306310330097
Energy: 1.1160662255290599
Energy: 0.889921431449379
Energy: 1.1160662255278588
Energy: 0.8928350869947617
Energy: 1.1241804385366725
Energy: 0.9097953860110319
Energy: 1.1241804385372731
Energy: 0.8928350869953621
Energy: 1.1241804385366725

minimum gb energy = 0.8898792254558323 eV
minimum distance =  2.23358110456247 Angstroms
sigma value = 67


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

Energy: 0.3448926402883854
Energy: 0.29161564408267193
Energy: 1.047712716431594
Energy: 0.29161564408267193
Energy: 0.3448926402887731
Energy: 0.29161564408267193
Energy: 0.27562676341134784
Energy: 0.7104646597673113
Energy: 0.7026886350276118
Energy: 0.7104646597673113
Energy: 0.27562676341134784
Energy: 0.7104646597665133
Energy: 0.3448926402883854
Energy: 0.29161564408267193
Energy: 1.3105641597326978
Energy: 0.29161564408267193
Energy: 0.3448926402887731
Energy: 0.29161564408267193
Energy: 0.27562676341134784
Energy: 0.7104646597669237
Energy: 0.7026886219600033
Energy: 0.7104646597673113
Energy: 0.27562676341134784
Energy: 0.7104646597669237
Energy: 0.34489264028797495
Energy: 0.29161564408267193
Energy: 1.7167427895654988
Energy: 0.29161564408267193
Energy: 0.3448926402887731
Energy: 0.29161564408267193
Energy: 0.27562676341173553
Energy: 0.7104646597669237
Energy: 0.7026899858428304
Energy: 0.7104646597677218
Energy: 0.27562676341173553
Energy: 0.7104646597669237
Energy: 0.3448926402883854
Energy: 0.29161564408226154
Energy: 1.7167427895554657
Energy: 0.2916156440830824
Energy: 0.3448926402887731
Energy: 0.29161564408267193

minimum gb energy = 0.27562676341134784 eV
minimum distance =  2.40398910699125 Angstroms
sigma value = 3


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

Energy: 1.4216519500269988
Energy: 1.1245005099459262
Energy: 0.8875797154128416
Energy: 1.1245005099453798
Energy: 1.4216519500259064
Energy: 1.124500509944834
Energy: 1.8246624779369471
Energy: 0.8863783803370392
Energy: 0.8746640184833445
Energy: 0.8863783803370392
Energy: 1.8246624779369471
Energy: 0.8863783803359467
Energy: 1.2734505203267834
Energy: 1.1054256991590417
Energy: 1.057303173198747
Energy: 1.1054256991584956
Energy: 1.273450520324053
Energy: 1.1054256991584956
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Energy: 0.8699136484641921
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Energy: 0.8699136484641921
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Energy: 1.0959446020205412
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Energy: 1.3772159455733708
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Energy: 0.8746706852453664
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Energy: 1.3769376819980093
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Energy: 0.9903635275192986
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Energy: 1.3982003880020517
Energy: 1.0959264277147205
Energy: 0.8631655340143607
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Energy: 1.0923106458681733
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Energy: 0.8748300289671657
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Energy: 1.376990100912425
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Energy: 1.0865294719883432
Energy: 0.8545364770457418
Energy: 1.0865294719888894
Energy: 1.1044501749300293
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Energy: 1.3671720731850807
Energy: 1.0954945644377738
Energy: 0.8711531107244026
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Energy: 1.1088901729501504
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Energy: 1.0867844654041319
Energy: 1.073498455778859
Energy: 1.0880937120035425
Energy: 1.080562212355362
Energy: 0.8799415717193583
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Energy: 1.0761079949817793
Energy: 1.1045480892083348
Energy: 1.0761079949834176
Energy: 0.8779284677369394
Energy: 1.0761079949828714
Energy: 1.0822780840954151
Energy: 1.0920038057318313
Energy: 1.095785786585955
Energy: 1.0920038057318313
Energy: 1.0822780840965072
Energy: 1.0920038057318313
Energy: 0.8699556340140658
Energy: 1.046627151850235
Energy: 1.3869509499551358
Energy: 1.0466271518480508
Energy: 0.8699556340140658
Energy: 1.0466271518513275
Energy: 0.8725202751558854
Energy: 1.0809028588279257
Energy: 1.1116075387825335
Energy: 1.0809028588273795
Energy: 0.8725202751553393
Energy: 1.0809028588268335
Energy: 0.8653553300521906
Energy: 1.0576693366735892
Energy: 1.3839536228624754
Energy: 1.0576693366735892
Energy: 0.8653553300521906
Energy: 1.0576693366719507
Energy: 0.8763659203503551
Energy: 1.0988437554546175
Energy: 1.3896889957872252
Energy: 1.0988437554551636
Energy: 0.8763659203498091
Energy: 1.0988437554551636
Energy: 0.8768447830925258
Energy: 0.8863470206528136
Energy: 1.5291260733849437
Energy: 0.8863470206544518
Energy: 0.8768447830914337
Energy: 0.886347020655544
Energy: 0.8688529903622609
Energy: 1.110412954810862
Energy: 1.4108696177242492
Energy: 1.110412954810316
Energy: 0.8688529903617149
Energy: 1.110412954810316
Energy: 0.8654851685565377
Energy: 0.8878750652492745
Energy: 1.535795830435566
Energy: 0.8878750652487283
Energy: 0.8654851685565377
Energy: 0.8878750652481822
Energy: 0.8679193721567192
Energy: 1.0985663978771285
Energy: 1.3918962224459948
Energy: 1.0985663978771285
Energy: 0.8679193721567192
Energy: 1.0985663978771285
Energy: 0.8772387704871679
Energy: 0.8722566787714917
Energy: 1.5342437353307
Energy: 0.8722566787714917
Energy: 0.877238770487714
Energy: 0.8722566787714917
Energy: 0.859816548061005
Energy: 1.0809298969422816
Energy: 1.1114467186643697
Energy: 1.0809298969422816
Energy: 0.8598165480615512
Energy: 1.0809298969417354
Energy: 0.8732493602393885
Energy: 1.0487433034885656
Energy: 1.261246569958217
Energy: 1.048743303486381
Energy: 0.8732493602393885
Energy: 1.0487433034869271
Energy: 1.1136243120288094
Energy: 1.071518237693429
Energy: 1.0951769730895955
Energy: 1.071518237693429
Energy: 1.1136243120282632
Energy: 1.071518237693429

minimum gb energy = 0.8545364770457418 eV
minimum distance =  2.25861913018896 Angstroms
sigma value = 81


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

Energy: 1.51087323836202
Energy: 1.2825806961032038
Energy: 1.35943213859318
Energy: 1.2825806961032038
Energy: 1.510873238360521
Energy: 1.2825806961032038
Energy: 1.7855985531046654
Energy: 0.9942181968910947
Energy: 0.9787706450764593
Energy: 0.9942181968925938
Energy: 1.7855985531039158
Energy: 0.9942181968918443
Energy: 1.4213647413858093
Energy: 1.2623368937806805
Energy: 1.1492304665743176
Energy: 1.2623368937806805
Energy: 1.4213647413820616
Energy: 1.2623368937806805
Energy: 1.3704092973653201
Energy: 1.0377803093739242
Energy: 0.9802370284310351
Energy: 1.0377803093739242
Energy: 1.3704092973683182
Energy: 1.0377803093739242
Energy: 1.105884014034653
Energy: 1.232830481299249
Energy: 0.9721972587582889
Energy: 1.2328304812999986
Energy: 1.105884014034653
Energy: 1.2328304812999986
Energy: 1.2166483848457665
Energy: 1.2093172071240288
Energy: 1.0653376923876565
Energy: 1.2093172071240288
Energy: 1.216648384843518
Energy: 1.2093172071240288
Energy: 1.0662807717363592
Energy: 1.2292253818277268
Energy: 1.2453641665796864
Energy: 1.2292253818277268
Energy: 1.0662807717371086
Energy: 1.2292253818269772
Energy: 1.0498177014651553
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Energy: 1.0498177014644057
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Energy: 0.9803967270594891
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Energy: 0.9803967270587395
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Energy: 1.0652672036562063
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Energy: 0.9798064166740714
Energy: 1.1574658591830858
Energy: 1.5083781658410786
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Energy: 1.2432239659636304
Energy: 1.3852439917479327
Energy: 1.2432239659636304
Energy: 0.9639324443123104
Energy: 1.2432239659636304
Energy: 0.972301689238197
Energy: 1.1872490955113368
Energy: 1.7773371738399957
Energy: 1.187249095512836
Energy: 0.9723016892389467
Energy: 1.1872490955098378
Energy: 1.0513033032309638
Energy: 1.2351582647817834
Energy: 1.396939814995982
Energy: 1.2351582647817834
Energy: 1.0513033032309638
Energy: 1.2351582647825328
Energy: 1.0515257482298868
Energy: 1.192770281300126
Energy: 1.3692294491207218
Energy: 1.192770281300126
Energy: 1.0515257482298868
Energy: 1.1927702813008754
Energy: 1.049868410444382
Energy: 1.2432503021612897
Energy: 1.091676217787305
Energy: 1.2432503021612897
Energy: 1.0498684104451317
Energy: 1.2432503021612897
Energy: 1.0498347357417166
Energy: 1.2089664652201328
Energy: 1.3016430888051842
Energy: 1.2089664652193832
Energy: 1.049834735742466
Energy: 1.2089664652193832
Energy: 1.3692591202970552
Energy: 1.2227701580721422
Energy: 1.050071667793171
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Energy: 1.3692591202970552
Energy: 1.2227701580721422
Energy: 1.3694229300856182
Energy: 1.2417795789955004
Energy: 1.0440086962176325
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Energy: 1.3694229300863676
Energy: 1.2417795789955004
Energy: 1.3884928680226751
Energy: 1.2432211515652933
Energy: 0.9803891596076113
Energy: 1.2432211515652933
Energy: 1.3884928680226751
Energy: 1.2432211515652933
Energy: 1.3884058673487174
Energy: 1.244970873680556
Energy: 1.1193488200345472
Energy: 1.2449708736813054
Energy: 1.3884058673487174
Energy: 1.244970873680556
Energy: 1.7770451828846818
Energy: 1.185590154664626
Energy: 0.9687748973965975
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Energy: 1.7770451828846818
Energy: 1.1855901546638765
Energy: 1.777395967255897
Energy: 1.2255464838572794
Energy: 0.9684847119470904
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Energy: 1.7773959672551476
Energy: 1.2255464838572794
Energy: 1.3883721414405743
Energy: 1.244614738654066
Energy: 1.1382107474320726
Energy: 1.244614738654066
Energy: 1.3883721414398247
Energy: 1.244614738654066
Energy: 1.3884710164154948
Energy: 1.2432908873982815
Energy: 0.9847031572399714
Energy: 1.2432908873982815
Energy: 1.3884710164154948
Energy: 1.2432908873982815
Energy: 1.3690876944216968
Energy: 1.2420815055570174
Energy: 1.0437568947945262
Energy: 1.2420815055570174
Energy: 1.3690876944216968
Energy: 1.2420815055570174
Energy: 1.3691972858098864
Energy: 1.2226538931184243
Energy: 1.0500713183161474
Energy: 1.2226538931184243
Energy: 1.3691972858098864
Energy: 1.2226538931184243
Energy: 1.0496161662647665
Energy: 1.209728388900606
Energy: 1.2089083469316748
Energy: 1.209728388900606
Energy: 1.0496161662647665
Energy: 1.2097283888998565
Energy: 1.0495934624811318
Energy: 1.2433589649914745
Energy: 1.0921793005027427
Energy: 1.2433589649914745
Energy: 1.049593462480382
Energy: 1.2433589649914745
Energy: 1.0512150236514055
Energy: 1.1927702813008754
Energy: 1.3705932678417219
Energy: 1.1927702813008754
Energy: 1.0512150236514055
Energy: 1.1927702813008754
Energy: 1.051189404080392
Energy: 1.234917812229623
Energy: 1.3973453348917841
Energy: 1.234917812229623
Energy: 1.0511894040811416
Energy: 1.234917812229623
Energy: 0.9751864057031989
Energy: 1.2059016439589276
Energy: 1.5146955597895677
Energy: 1.2059016439589276
Energy: 0.9751864057031989
Energy: 1.2059016439596772
Energy: 0.9699460579814084
Energy: 1.2433064037505515
Energy: 1.3805282004917316
Energy: 1.2433064037505515
Energy: 0.9699460579814084
Energy: 1.2433064037505515
Energy: 0.9753935654810247
Energy: 1.0458001700317576
Energy: 1.5077491824526894
Energy: 1.0458001700317576
Energy: 0.9753935654810247
Energy: 1.0458001700317576
Energy: 1.0652672036562063
Energy: 1.2455940367676774
Energy: 1.3986852932615896
Energy: 1.2455940367676774
Energy: 1.0652672036562063
Energy: 1.2455940367684268
Energy: 0.9803588198971118
Energy: 1.1035916559254684
Energy: 1.4266311882737712
Energy: 1.1035916559239691
Energy: 0.9803588198971118
Energy: 1.1035916559254684
Energy: 1.048339417390205
Energy: 1.2102322476514862
Energy: 1.0916997244141302
Energy: 1.2102322476514862
Energy: 1.048339417388706
Energy: 1.2102322476514862
Energy: 1.066211089521321
Energy: 1.245015659109763
Energy: 1.219550180126994
Energy: 1.2450156591105124
Energy: 1.0662110895220704
Energy: 1.2450156591105124

minimum gb energy = 0.9639324443123104 eV
minimum distance =  2.18804455492936 Angstroms
sigma value = 43


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

Energy: 1.5404251217528417
Energy: 1.3672623913055164
Energy: 1.0506283092092221
Energy: 1.3672623913045956
Energy: 1.5404251217510003
Energy: 1.3672623913055164
Energy: 1.6899241873138489
Energy: 1.089772231603054
Energy: 1.048680737891227
Energy: 1.0897722316012126
Energy: 1.6899241873138489
Energy: 1.0897722316039749
Energy: 1.0996432214838658
Energy: 1.3380256542580713
Energy: 1.2428017877807298
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Energy: 1.0996432214838658
Energy: 1.3380256542580713
Energy: 1.2286883721933186
Energy: 1.0479084274295811
Energy: 1.0489644573141004
Energy: 1.047908427430502
Energy: 1.2286883721960806
Energy: 1.0479084274295811
Energy: 1.055363274468737
Energy: 1.3423481970572777
Energy: 1.1574714348526767
Energy: 1.3423481970563567
Energy: 1.055363274468737
Energy: 1.3423481970563567
Energy: 1.0353054055839255
Energy: 1.315303674982673
Energy: 1.04039962191854
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Energy: 1.0353054055839255
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Energy: 1.0404859477739001
Energy: 1.195863378138985
Energy: 1.2490293492367586
Energy: 1.195863378138985
Energy: 1.0404859477739001
Energy: 1.1958633781371437
Energy: 1.071558765301957
Energy: 1.3078877873935535
Energy: 1.0807704214748517
Energy: 1.3078877873935535
Energy: 1.071558765301957
Energy: 1.3078877873935535
Energy: 1.0515302033354867
Energy: 1.2096719607736115
Energy: 1.45799606011269
Energy: 1.2096719607726905
Energy: 1.0515302033354867
Energy: 1.2096719607736115
Energy: 1.0435611106694016
Energy: 1.3303697802952406
Energy: 1.4549271902026668
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Energy: 1.0435611106694016
Energy: 1.3303697802952406
Energy: 1.0403124940076374
Energy: 1.3456624967760575
Energy: 1.4196017625789898
Energy: 1.3456624967769784
Energy: 1.040312494008558
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Energy: 1.0491254772790062
Energy: 1.3077113082590275
Energy: 1.0806992688053978
Energy: 1.3077113082590275
Energy: 1.0491254772790062
Energy: 1.3077113082590275
Energy: 1.0516451759942715
Energy: 1.0366197374893096
Energy: 1.3412695032245436
Energy: 1.036619737488389
Energy: 1.0516451759942715
Energy: 1.036619737488389
Energy: 1.0388288790770632
Energy: 1.3312210273610652
Energy: 1.0403260301575024
Energy: 1.3312210273610652
Energy: 1.0388288790770632
Energy: 1.3312210273610652
Energy: 1.0404907727867798
Energy: 1.315070178397167
Energy: 1.0359321650509494
Energy: 1.3150701783980876
Energy: 1.0404907727867798
Energy: 1.315070178397167
Energy: 1.418266629300197
Energy: 1.1903810768571375
Energy: 1.0491854292369365
Energy: 1.1903810768562375
Energy: 1.418266629300197
Energy: 1.190381076855317
Energy: 1.4193212791570335
Energy: 1.3079248733497297
Energy: 1.2309823239617461
Energy: 1.3079248733497297
Energy: 1.4193212791570335
Energy: 1.3079248733506503
Energy: 1.4510592781677942
Energy: 1.339342385703107
Energy: 1.043572233237008
Energy: 1.339342385703107
Energy: 1.4510592781677942
Energy: 1.339342385703107
Energy: 1.4524159523155493
Energy: 1.3408390937683081
Energy: 1.043944881892148
Energy: 1.3408390937683081
Energy: 1.4524159523155493
Energy: 1.3408390937683081
Energy: 1.418425577470717
Energy: 1.3574384697350064
Energy: 1.0401090783336098
Energy: 1.3574384697350064
Energy: 1.4184255774697965
Energy: 1.3574384697350064
Energy: 1.4192874951575687
Energy: 1.3734537258034634
Energy: 1.0401938187016684
Energy: 1.3734537258034634
Energy: 1.4192874951474408
Energy: 1.3734537258034634
Energy: 1.0388524918712545
Energy: 1.315086833601061
Energy: 1.0369139459502152
Energy: 1.3150868336019819
Energy: 1.0388524918712545
Energy: 1.3150868336019819
Energy: 1.0406973432282989
Energy: 1.3308528391678645
Energy: 1.0390507466280259
Energy: 1.3308528391669436
Energy: 1.0406973432282989
Energy: 1.3308528391678645
Energy: 1.0493315850176663
Energy: 1.3413783125993166
Energy: 1.0387486870395888
Energy: 1.3413783125993166
Energy: 1.0493315850176663
Energy: 1.3413783125993166
Energy: 1.0517814506302876
Energy: 1.3729322802608048
Energy: 1.0824336483798405
Energy: 1.3729322802608048
Energy: 1.0517814506312082
Energy: 1.3729322802608048
Energy: 1.0405081149224462
Energy: 1.344436437735638
Energy: 1.4190344276360147
Energy: 1.3444364377347173
Energy: 1.0405081149233668
Energy: 1.3444364377347173
Energy: 1.043503464421896
Energy: 1.3412089651295236
Energy: 1.4534474014286494
Energy: 1.3412089651295236
Energy: 1.043503464421896
Energy: 1.3412089651295236
Energy: 1.0525838408069095
Energy: 1.3313784478979023
Energy: 1.3010051471225543
Energy: 1.3313784478997437
Energy: 1.0525838408069095
Energy: 1.3313784478988229
Energy: 1.0734445274557507
Energy: 1.307440662129467
Energy: 1.0823246259654107
Energy: 1.307440662129467
Energy: 1.0734445274557507
Energy: 1.307440662129467
Energy: 1.0407677597464668
Energy: 1.1909777124483722
Energy: 1.2494683982922585
Energy: 1.1909777124483722
Energy: 1.0407677597464668
Energy: 1.1909777124483722
Energy: 1.0565552621189296
Energy: 1.3155469268706752
Energy: 1.0388319497251153
Energy: 1.3155469268715958
Energy: 1.0565552621170882
Energy: 1.3155469268706752

minimum gb energy = 1.0353054055839255 eV
minimum distance =  2.22990927357315 Angstroms
sigma value = 57


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

Energy: 1.2138127382930424
Energy: 1.4804431528518778
Energy: 1.386819164894134
Energy: 1.4804431528518778
Energy: 1.2138127382930424
Energy: 1.4804431528518778
Energy: 1.4238389139313041
Energy: 1.2159061872460213
Energy: 1.1295388905465433
Energy: 1.2159061872531738
Energy: 1.4238389139336884
Energy: 1.2159061872519819
Energy: 1.1448059308711431
Energy: 1.4716976236488621
Energy: 1.3417371417492756
Energy: 1.4716976236488621
Energy: 1.1448059308711431
Energy: 1.4716976236488621
Energy: 1.1582175306259004
Energy: 1.1518547636341878
Energy: 1.1330367068418963
Energy: 1.1518547636341878
Energy: 1.1582175306259004
Energy: 1.1518547636353798
Energy: 1.12940987029891
Energy: 1.1577604501024885
Energy: 1.2966738314007822
Energy: 1.1577604501024885
Energy: 1.12940987029891
Energy: 1.1577604501084489
Energy: 1.1464184055480051
Energy: 1.4570031693771337
Energy: 1.1324100154904828
Energy: 1.4570031693771337
Energy: 1.1464184055456208
Energy: 1.4570031693783256
Energy: 1.1438373009062324
Energy: 1.3334565767365645
Energy: 1.422816765995177
Energy: 1.3334565767389484
Energy: 1.1438373009062324
Energy: 1.3334565767353723
Energy: 1.1450794248844998
Energy: 1.4655007088505168
Energy: 1.1943794190955435
Energy: 1.4655007088493248
Energy: 1.1450794248856917
Energy: 1.4655007088493248
Energy: 1.1294981597302425
Energy: 1.1988241340003676
Energy: 1.419709048295655
Energy: 1.1988241340027517
Energy: 1.1294981597302425
Energy: 1.1988241339991754
Energy: 1.149991879391954
Energy: 1.4569823218049311
Energy: 1.12922946865911
Energy: 1.4569823218061233
Energy: 1.1499918793907615
Energy: 1.4569823218049311
Energy: 1.1435309193669292
Energy: 1.1459762577468784
Energy: 1.139644973952629
Energy: 1.1459762577528392
Energy: 1.1435309193681211
Energy: 1.1459762577349575
Energy: 1.1299291122948196
Energy: 1.3235234619683414
Energy: 1.129315558771532
Energy: 1.3235234619647651
Energy: 1.1299291122936277
Energy: 1.323523461965957
Energy: 1.1295354016938404
Energy: 1.4573151446668777
Energy: 1.1803450331530048
Energy: 1.4573151446668777
Energy: 1.1295354016938404
Energy: 1.4573151446668777
Energy: 1.4091751315669847
Energy: 1.3213480440451075
Energy: 1.1427636968331774
Energy: 1.3213480440451075
Energy: 1.4091751315657925
Energy: 1.3213480440451075
Energy: 1.664225705682933
Energy: 1.4642844555090833
Energy: 1.1428266125731499
Energy: 1.4642844555090833
Energy: 1.664225705682933
Energy: 1.4642844555090833
Energy: 1.130009779475526
Energy: 1.4885008175378915
Energy: 1.1294706831108177
Energy: 1.4885008175378915
Energy: 1.130009779475526
Energy: 1.4885008175378915
Energy: 1.1297922443967565
Energy: 1.3342782381275875
Energy: 1.1427782590366982
Energy: 1.3342782381275875
Energy: 1.1297922443967565
Energy: 1.3342782381287794
Energy: 1.1439902946217901
Energy: 1.347464407092226
Energy: 1.144491602114893
Energy: 1.3474644070946102
Energy: 1.1439902946205978
Energy: 1.347464407093418
Energy: 1.1427480277921518
Energy: 1.3342054577391866
Energy: 1.129797282575283
Energy: 1.3342054577391866
Energy: 1.1427480277921518
Energy: 1.3342054577391866
Energy: 1.1295070951065769
Energy: 1.4882099704672636
Energy: 1.1299505030775707
Energy: 1.4882099704660716
Energy: 1.1295070951065769
Energy: 1.4882099704672636
Energy: 1.1431778371155732
Energy: 1.464218311819015
Energy: 1.6638414580211527
Energy: 1.464218311819015
Energy: 1.1431778371155732
Energy: 1.464218311819015
Energy: 1.1424790450877993
Energy: 1.3303033176966035
Energy: 1.4094680897231853
Energy: 1.3303033176954113
Energy: 1.1424790450877993
Energy: 1.3303033176942194
Energy: 1.1643338065611808
Energy: 1.4573877402058155
Energy: 1.1295386651193753
Energy: 1.4573877402058155
Energy: 1.1643338065599886
Energy: 1.4573877402058155
Energy: 1.1292620582173736
Energy: 1.3249368791869678
Energy: 1.1299058136273243
Energy: 1.3249368791869678
Energy: 1.1292620582161816
Energy: 1.3249368791869678

minimum gb energy = 1.12922946865911 eV
minimum distance =  2.2258863317083 Angstroms
sigma value = 17


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

Energy: 1.2507998848113608
Energy: 1.2508356642610472
Energy: 1.615095229358431
Energy: 1.2508356642610472
Energy: 1.2507998848113608
Energy: 1.2508356642610472
Energy: 1.2803280891912667
Energy: 1.253077616630562
Energy: 1.2526397870704398
Energy: 1.253077616630562
Energy: 1.2803280891912667
Energy: 1.253077616628876
Energy: 1.2718264701685091
Energy: 1.2690388107325568
Energy: 1.451772221563864
Energy: 1.2690388107308708
Energy: 1.2718264701668234
Energy: 1.2690388107325568
Energy: 1.268159889045313
Energy: 1.2668781296123366
Energy: 1.2520397739314644
Energy: 1.2668781296140226
Energy: 1.268159889045313
Energy: 1.2668781296123366
Energy: 1.253037508262504
Energy: 1.2702638510357647
Energy: 1.5206510344141404
Energy: 1.2702638510357647
Energy: 1.253037508262504
Energy: 1.2702638510374504
Energy: 1.257385203388559
Energy: 1.2510994218543718
Energy: 1.2353376866326664
Energy: 1.2510994218543718
Energy: 1.2573852033902448
Energy: 1.2510994218543718
Energy: 1.2597134605365878
Energy: 1.3869742270580339
Energy: 1.2795693477405792
Energy: 1.3869742270613674
Energy: 1.2597134605365878
Energy: 1.386974227056348
Energy: 1.259466680897414
Energy: 1.3667331904954287
Energy: 1.2518844785572203
Energy: 1.3667331904954287
Energy: 1.2594666808991
Energy: 1.3667331904954287
Energy: 1.2530257421782438
Energy: 1.2676397675176976
Energy: 1.3449600883579258
Energy: 1.2676397675176976
Energy: 1.2530257421782438
Energy: 1.2676397675176976
Energy: 1.2355781848875158
Energy: 1.2250918857622894
Energy: 1.2533532507957066
Energy: 1.2250918857622894
Energy: 1.2355781848875158
Energy: 1.2250918857622894
Energy: 1.236255389474366
Energy: 1.4688590268578068
Energy: 1.2547382917393506
Energy: 1.4688590268578068
Energy: 1.236255389474366
Energy: 1.4688590268578068
Energy: 1.2640004040616617
Energy: 1.2660984354959386
Energy: 1.2555909335906972
Energy: 1.2660984354942526
Energy: 1.2640004040599757
Energy: 1.2660984354959386
Energy: 1.2530669200085114
Energy: 1.368241148714931
Energy: 1.256870104254331
Energy: 1.368241148714931
Energy: 1.2530669200068254
Energy: 1.368241148714931
Energy: 1.2583390795666574
Energy: 1.2667903543216994
Energy: 1.2533094000185798
Energy: 1.2667903543216994
Energy: 1.2583390795666574
Energy: 1.2667903543216994
Energy: 1.2611579582457986
Energy: 1.4812109649575484
Energy: 1.2354941836914664
Energy: 1.481210964955863
Energy: 1.2611579582457986
Energy: 1.481210964955863
Energy: 1.2569766738382202
Energy: 1.4703209785531417
Energy: 1.2374179569010226
Energy: 1.4703209785581992
Energy: 1.2569766738365344
Energy: 1.4703209785531417
Energy: 1.2557853633319982
Energy: 1.2665025310395013
Energy: 1.2645703944518223
Energy: 1.2665025310395013
Energy: 1.2557853633336844
Energy: 1.2665025310395013

minimum gb energy = 1.2250918857622894 eV
minimum distance =  2.22768485488694 Angstroms
sigma value = 17


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

Energy: 1.697458734128417
Energy: 1.6922035429507192
Energy: 1.399099725404628
Energy: 1.6922035429513704
Energy: 1.6974587341342762
Energy: 1.6922035429507192
Energy: 1.526922301886469
Energy: 1.3022763980778234
Energy: 1.2877569814756382
Energy: 1.3022763980765213
Energy: 1.526922301884516
Energy: 1.302276398071964
Energy: 1.2885806417379873
Energy: 1.3499105856741151
Energy: 1.3048948750852605
Energy: 1.3499105856715108
Energy: 1.2885806417379873
Energy: 1.3499105856318276
Energy: 1.3251833615405804
Energy: 1.572234379062538
Energy: 1.3352400243919726
Energy: 1.5722343790638105
Energy: 1.3251833615282107
Energy: 1.572234379063189
Energy: 1.2901511085932018
Energy: 1.3483946517810783
Energy: 1.5331696974109115
Energy: 1.3483946517784742
Energy: 1.2901511085925508
Energy: 1.3483946517758703
Energy: 1.354919350418191
Energy: 1.5738826705509767
Energy: 1.3554973176074196
Energy: 1.5738826705509767
Energy: 1.354919350418191
Energy: 1.573882670549675
Energy: 1.286608174230038
Energy: 1.380383797202518
Energy: 1.5240481038430664
Energy: 1.3803837972038202
Energy: 1.286608174230689
Energy: 1.380383797202518
Energy: 1.6155346951671388
Energy: 1.4304193642106067
Energy: 1.2903355903280782
Energy: 1.4304193642067005
Energy: 1.6155346951684408
Energy: 1.4304193642125598
Energy: 1.36029393654262
Energy: 1.6398448642785703
Energy: 1.3112867937531647
Energy: 1.6398448642792214
Energy: 1.36029393654262
Energy: 1.6398448642798724
Energy: 1.6159371769490467
Energy: 1.3487714596501936
Energy: 1.2870930686929087
Energy: 1.348771459655402
Energy: 1.6159371769477449
Energy: 1.3473099872240362
Energy: 1.331612750065676
Energy: 1.6380251927000546
Energy: 1.3371062212924008
Energy: 1.6380251927013567
Energy: 1.331612750066978
Energy: 1.6380251927000546
Energy: 1.321881695825144
Energy: 1.5751174715148737
Energy: 1.286822207456409
Energy: 1.5751174715135716
Energy: 1.321881695824493
Energy: 1.5751174715103164
Energy: 1.2918714826956244
Energy: 1.4325777789291676
Energy: 1.681446844208967
Energy: 1.4325777789278655
Energy: 1.2918714826956244
Energy: 1.4325777789233083
Energy: 1.3025519741541138
Energy: 1.5601133874073934
Energy: 1.682087610610235
Energy: 1.5601133873969768
Energy: 1.302551974153463
Energy: 1.5601133873611999
Energy: 1.3010473663905722
Energy: 1.6477018941953911
Energy: 1.3408632193383723
Energy: 1.6477018941953911
Energy: 1.3010473663899211
Energy: 1.6477018941953911
Energy: 1.334245554661236
Energy: 1.6621357241842667
Energy: 1.2869162002997363
Energy: 1.6621357241842667
Energy: 1.334245554661887
Energy: 1.6621357241842667
Energy: 1.3283057229398696
Energy: 1.6645264886550502
Energy: 1.2993947663736674
Energy: 1.664526488653748
Energy: 1.3283057229405204
Energy: 1.6645264886543991
Energy: 1.670886521196143
Energy: 1.5358462036490832
Energy: 1.3103085024955092
Energy: 1.5358462036549425
Energy: 1.670886521194841
Energy: 1.5358462036536402
Energy: 1.6676117542256075
Energy: 1.5382397307310236
Energy: 1.2870642855142904
Energy: 1.5382397307297215
Energy: 1.6676117542256075
Energy: 1.5382397307310236
Energy: 1.290308140744622
Energy: 1.6056680463914506
Energy: 1.2878494242900616
Energy: 1.6056680463907995
Energy: 1.290308140745273
Energy: 1.6056680463907995
Energy: 1.2870867424869885
Energy: 1.537842225642099
Energy: 1.5047209378454
Energy: 1.537842225641448
Energy: 1.2870867424869885
Energy: 1.5378422256427497
Energy: 1.310261482626447
Energy: 1.5308566408100261
Energy: 1.6711798550576147
Energy: 1.5308566408093751
Energy: 1.3102614826270982
Energy: 1.5308566408145832
Energy: 1.3038938720363646
Energy: 1.6644857240269006
Energy: 1.3288935400293005
Energy: 1.6644857240255986
Energy: 1.3038938720357136
Energy: 1.6644857240275517
Energy: 1.2869637190777454
Energy: 1.6360455193710697
Energy: 1.3330067759237885
Energy: 1.6360455193704186
Energy: 1.2869637190783962
Energy: 1.6360455193710697
Energy: 1.3343314391479164
Energy: 1.6476633126704772
Energy: 1.2919020196161923
Energy: 1.6476633126704772
Energy: 1.3343314391446612
Energy: 1.6476633126704772
Energy: 1.6822122772940722
Energy: 1.551736096109984
Energy: 1.3026273756764994
Energy: 1.551736096048817
Energy: 1.6822122772947232
Energy: 1.5517360961021716
Energy: 1.6812998442474267
Energy: 1.433541734979131
Energy: 1.2919497148609096
Energy: 1.433541734979782
Energy: 1.6812998442474267
Energy: 1.4335417349810842
Energy: 1.286742266480738
Energy: 1.5735841772357075
Energy: 1.3212815006193293
Energy: 1.5735841772363584
Energy: 1.286742266480738
Energy: 1.5735841772383117
Energy: 1.3372052305458983
Energy: 1.6375493137572725
Energy: 1.3311050143220982
Energy: 1.6375493137566215
Energy: 1.3372052305458983
Energy: 1.6375493137566215
Energy: 1.287270911208105
Energy: 1.3487714596534488
Energy: 1.6158735787767957
Energy: 1.3487714596586569
Energy: 1.287270911207454
Energy: 1.348771459661261
Energy: 1.3105482467079184
Energy: 1.640351395139186
Energy: 1.3603728972130429
Energy: 1.640351395139186
Energy: 1.3105482467079184
Energy: 1.640351395139186
Energy: 1.2900891755544805
Energy: 1.4329078051970996
Energy: 1.6158491978120735
Energy: 1.4329078051977506
Energy: 1.2900891755538295
Energy: 1.4329078051977506
Energy: 1.5237795771815457
Energy: 1.3666996390562647
Energy: 1.2866578535163604
Energy: 1.3666996390549626
Energy: 1.5237795771808946
Energy: 1.3666996390595199
Energy: 1.3562854053453135
Energy: 1.5748860662490365
Energy: 1.3566309910436842
Energy: 1.5748860662483857
Energy: 1.3562854053440117
Energy: 1.5748860662483857
Energy: 1.5333954049940326
Energy: 1.348394651772615
Energy: 1.2917313766470124
Energy: 1.348394651773266
Energy: 1.5333954049946836
Energy: 1.348394651776521
Energy: 1.335128819502845
Energy: 1.5681082520835095
Energy: 1.322860318475367
Energy: 1.5681082520822074
Energy: 1.335128819503496
Energy: 1.5681082520848115
Energy: 1.3066934421361844
Energy: 1.3462738428375123
Energy: 1.2885815782881973
Energy: 1.3462738425668328
Energy: 1.3066928063781982
Energy: 1.3462738431349135
Energy: 1.2876717939677238
Energy: 1.3148564798710727
Energy: 1.5280021359750469
Energy: 1.3148564798671665
Energy: 1.2876717939683748
Energy: 1.3148564798710727
Energy: 1.5449350535495743
Energy: 1.6922035429507192
Energy: 1.69745873411152
Energy: 1.6922035429513704
Energy: 1.5449350535528295
Energy: 1.6922035429507192
Energy: 1.2877569814749872
Energy: 1.3022763980752194
Energy: 1.526922301884516
Energy: 1.3022763980732661
Energy: 1.2877569814756382
Energy: 1.3022763980739172
Energy: 1.3048948746805282
Energy: 1.349910585650678
Energy: 1.2885806417386383
Energy: 1.3499105856448186
Energy: 1.3048948745184816
Energy: 1.3499105856623965
Energy: 1.3352400243932747
Energy: 1.572234379063189
Energy: 1.3251833615418824
Energy: 1.572234379061887
Energy: 1.3352400243932747
Energy: 1.572234379063189
Energy: 1.5331696974109115
Energy: 1.3483946517823804
Energy: 1.2901511085932018
Energy: 1.3483946517778231
Energy: 1.5331696974115625
Energy: 1.3483946517810783

minimum gb energy = 1.286608174230038 eV
minimum distance =  2.21199957667379 Angstroms
sigma value = 57


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

Energy: 1.4010839585243748
Energy: 1.6611604053251705
Energy: 1.550512903068336
Energy: 1.6611604053251705
Energy: 1.401083958526495
Energy: 1.6611604053251705
Energy: 1.3696124466621828
Energy: 1.3138714607594464
Energy: 1.3077766380692648
Energy: 1.3138714607594464
Energy: 1.3696124466558228
Energy: 1.3138714607583866
Energy: 1.2793099803754597
Energy: 1.4101775154560479
Energy: 1.4957367315490462
Energy: 1.4101775154507958
Energy: 1.2793099803754597
Energy: 1.4101775154465557
Energy: 1.3903659006421174
Energy: 1.3832265119646654
Energy: 1.3616521641214443
Energy: 1.383226511953005
Energy: 1.3903659006452975
Energy: 1.3832265119561853
Energy: 1.2827879826932385
Energy: 1.3868922520656684
Energy: 1.387650818584541
Energy: 1.3868922520667284
Energy: 1.2827879826932385
Energy: 1.3868922520677884
Energy: 1.3844737035892911
Energy: 1.3711857210053786
Energy: 1.360300934229472
Energy: 1.3711857210212306
Energy: 1.3844737035892911
Energy: 1.3711857209809977
Energy: 1.2826029847470561
Energy: 1.3883755623864031
Energy: 1.3242413264015227
Energy: 1.388375562579232
Energy: 1.2826029847470561
Energy: 1.3883755629977503
Energy: 1.6451982546964368
Energy: 1.3568910830910397
Energy: 1.3079122951222772
Energy: 1.3568910830826075
Energy: 1.6451982546964368
Energy: 1.3568910830867997
Energy: 1.3954872141678434
Energy: 1.6989829060737802
Energy: 1.3228504908208982
Energy: 1.6989829060737802
Energy: 1.3954872141678434
Energy: 1.6989829060737802
Energy: 1.360216048750687
Energy: 1.310579776438425
Energy: 1.309607179105097
Energy: 1.310579776438425
Energy: 1.3602160487443264
Energy: 1.310579776438425
Energy: 1.2824274962611784
Energy: 1.4872753073262728
Energy: 1.3654633832453575
Energy: 1.4872753753848913
Energy: 1.2824274962611784
Energy: 1.4872753238235974
Energy: 1.3759948144831908
Energy: 1.360697130790302
Energy: 1.353388933397232
Energy: 1.360697130791362
Energy: 1.3759948144831908
Energy: 1.3606971307945421
Energy: 1.2875029129671671
Energy: 1.5319211782789757
Energy: 1.365207751047249
Energy: 1.5319211782789757
Energy: 1.2875029129671671
Energy: 1.5319211782800355
Energy: 1.3721383977486472
Energy: 1.4251599909530077
Energy: 1.353435344929993
Energy: 1.4251599909498276
Energy: 1.3721383977475874
Energy: 1.4251599909508874
Energy: 1.2869427651558019
Energy: 1.386011939501077
Energy: 1.3240434216891586
Energy: 1.3860119395053172
Energy: 1.286942765156862
Energy: 1.3860119395000174
Energy: 1.641042557251377
Energy: 1.5808207064730846
Energy: 1.3092372633756748
Energy: 1.5808207064699042
Energy: 1.641042557248197
Energy: 1.5808207064709643
Energy: 1.3858519027439355
Energy: 1.5449969876055412
Energy: 1.3185120947926945
Energy: 1.5449969876055412
Energy: 1.3858519027439355
Energy: 1.5449969876108411
Energy: 1.3698991260631124
Energy: 1.3790087418005634
Energy: 1.3145600082851225
Energy: 1.379008741936199
Energy: 1.3698991260631124
Energy: 1.3790087421078272
Energy: 1.2872043313977233
Energy: 1.5294372317982028
Energy: 1.3545869622851245
Energy: 1.529437231799263
Energy: 1.2872043313966632
Energy: 1.529437231801383
Energy: 1.378300096195294
Energy: 1.544696292628513
Energy: 1.3522874842171517
Energy: 1.54469629258828
Energy: 1.378300096195294
Energy: 1.5446962926062522
Energy: 1.2950438639311121
Energy: 1.5265099906404458
Energy: 1.356293321967314
Energy: 1.5265099906362056
Energy: 1.2950438639311121
Energy: 1.5265099906362056
Energy: 1.2805402866737188
Energy: 1.5365389256823023
Energy: 1.3524493008171257
Energy: 1.5365389256801825
Energy: 1.2805402866737188
Energy: 1.5365389256833624
Energy: 1.2899475574711714
Energy: 1.374524136469405
Energy: 1.3181604380487126
Energy: 1.374524136519178
Energy: 1.2899475574722317
Energy: 1.3745241364482044
Energy: 1.3865545194251063
Energy: 1.547323148222635
Energy: 1.3145491073547069
Energy: 1.547323148219455
Energy: 1.3865545194240465
Energy: 1.547323148219455
Energy: 1.3876580282623248
Energy: 1.5469710137026702
Energy: 1.3139239165343004
Energy: 1.5469710137450712
Energy: 1.3876580282591449
Energy: 1.5469710137588515
Energy: 1.2801773716665077
Energy: 1.3979777870829007
Energy: 1.3199040442084466
Energy: 1.3979777870680603
Energy: 1.2801773716665077
Energy: 1.3979777870765406
Energy: 1.2901918713778733
Energy: 1.5369352009333577
Energy: 1.3512093366600244
Energy: 1.5369352009344177
Energy: 1.2901918713789333
Energy: 1.5369352009354778

minimum gb energy = 1.2793099803754597 eV
minimum distance =  2.23554210965118 Angstroms
sigma value = 43


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

Energy: 1.4556308492535566
Energy: 1.6448779687483512
Energy: 1.4461151502126681
Energy: 1.6448779687483512
Energy: 1.4556308492535566
Energy: 1.6448779687506685
Energy: 1.3899922677803054
Energy: 1.3576413401164305
Energy: 1.323634190292874
Energy: 1.3576413401172027
Energy: 1.3899922677795329
Energy: 1.3576413401187475
Energy: 1.3265424627374223
Energy: 1.4384650220855892
Energy: 1.6045895535988635
Energy: 1.4384650220848167
Energy: 1.3265424627374223
Energy: 1.4384650220840445
Energy: 1.4439693357623589
Energy: 1.617915970397245
Energy: 1.406717109302991
Energy: 1.6179159703987895
Energy: 1.4439693357623589
Energy: 1.6179159703980173
Energy: 1.3269178960386612
Energy: 1.4134324540774528
Energy: 1.4156204051595616
Energy: 1.4134324545877601
Energy: 1.3269178960386612
Energy: 1.4134324542804735
Energy: 1.3977558594223736
Energy: 1.4236570001118187
Energy: 1.3250169913440142
Energy: 1.4236570001434496
Energy: 1.3977558594023278
Energy: 1.423657000107957
Energy: 1.3261275010691487
Energy: 1.4119332563422486
Energy: 1.3612094021152747
Energy: 1.4119332565035976
Energy: 1.3261275010691487
Energy: 1.4119332565120934
Energy: 1.4344085802503679
Energy: 1.405019616446702
Energy: 1.3279299806266496
Energy: 1.4050196164443849
Energy: 1.4344085802511404
Energy: 1.405019616446702
Energy: 1.4047237985404784
Energy: 1.6185737363972923
Energy: 1.431473570252096
Energy: 1.6185737363972923
Energy: 1.4047237985404784
Energy: 1.6185737363980293
Energy: 1.5328324538455602
Energy: 1.4407306922611727
Energy: 1.325989317947766
Energy: 1.4407306922580834
Energy: 1.5328324538478773
Energy: 1.4407306922565386
Energy: 1.3248550964071852
Energy: 1.3736700159610387
Energy: 1.6224333589232531
Energy: 1.3736700159579494
Energy: 1.3248550964071852
Energy: 1.3736700159571769
Energy: 1.3565967763115867
Energy: 1.5943145017981781
Energy: 1.4432925517304176
Energy: 1.5943145036023327
Energy: 1.3565967763092697
Energy: 1.5943145016074798
Energy: 1.3289036858833478
Energy: 1.3619839823836943
Energy: 1.4291453805701453
Energy: 1.361983982382922
Energy: 1.3289036858841203
Energy: 1.3619839823836943
Energy: 1.4037714717256913
Energy: 1.4854025418754027
Energy: 1.3260713865503686
Energy: 1.4854025418746304
Energy: 1.4037714717233742
Energy: 1.4854025418746304
Energy: 1.4009836112252196
Energy: 1.6187327051195959
Energy: 1.359145244813826
Energy: 1.6187327051242297
Energy: 1.4009836112252196
Energy: 1.6187327051334979
Energy: 1.4060044179800872
Energy: 1.5397323450454523
Energy: 1.330323923328839
Energy: 1.5397323450570373
Energy: 1.4060044179800872
Energy: 1.5397323450362193
Energy: 1.330722033863244
Energy: 1.4966468438988134
Energy: 1.3996424170285393
Energy: 1.4966468439142604
Energy: 1.330722033863244
Energy: 1.49664684390422
Energy: 1.3560410713746032
Energy: 1.4163496990552094
Energy: 1.3251032556131443
Energy: 1.416349699033584
Energy: 1.356041071373831
Energy: 1.4163496989787827
Energy: 1.3512925030177747
Energy: 1.4705990289678457
Energy: 1.4038264385719792
Energy: 1.4705990289678457
Energy: 1.351292503018547
Energy: 1.4705990289678457
Energy: 1.3431818148150425
Energy: 1.5838888543164231
Energy: 1.4007444751206166
Energy: 1.5838888543187402
Energy: 1.34318181481427
Energy: 1.583888854322602
Energy: 1.332249973033584
Energy: 1.4296178029212845
Energy: 1.3560079225678474
Energy: 1.4296178030324667
Energy: 1.332249973033584
Energy: 1.4296178029606739
Energy: 1.7239343916234264
Energy: 1.481992950930076
Energy: 1.3311321932755136
Energy: 1.4819929509339376
Energy: 1.7239343916226544
Energy: 1.4819929509316208
Energy: 1.7256674317102951
Energy: 1.5432750288536936
Energy: 1.3580718035864126
Energy: 1.5432750288536936
Energy: 1.7256674317102951
Energy: 1.5432750288529213
Energy: 1.3346041745572321
Energy: 1.618198649934862
Energy: 1.355931091027053
Energy: 1.6181986499618586
Energy: 1.3346041745587767
Energy: 1.6181986500475536
Energy: 1.3329920343017319
Energy: 1.583937131803227
Energy: 1.4115063063623594
Energy: 1.5839371318063165
Energy: 1.3329920343017319
Energy: 1.5839371318047715
Energy: 1.363084578771959
Energy: 1.567335848162932
Energy: 1.4068027096525413
Energy: 1.5673358481590702
Energy: 1.363084578771959
Energy: 1.5673358481598425
Energy: 1.342654548117544
Energy: 1.5380378702431343
Energy: 1.4005164806689583
Energy: 1.5380378702361834
Energy: 1.3426545481183165
Energy: 1.5380378701890705
Energy: 1.3990795010578578
Energy: 1.7343460045130628
Energy: 1.3990574644902274
Energy: 1.7343460045130628
Energy: 1.3990795010578578
Energy: 1.7343460045130628
Energy: 1.4008027425596556
Energy: 1.5405837391674142
Energy: 1.368405281471263
Energy: 1.5405837391604629
Energy: 1.4008027425588832
Energy: 1.5405837391650972
Energy: 1.4059456741932062
Energy: 1.5645908597431257
Energy: 1.3605377717859708
Energy: 1.564590859801016
Energy: 1.4059456741932062
Energy: 1.5645908597315406
Energy: 1.4113364354732933
Energy: 1.5837380955091027
Energy: 1.332110223043805
Energy: 1.5837380955083304
Energy: 1.4113364354740658
Energy: 1.583738095507558
Energy: 1.3559438934513948
Energy: 1.4171120339371228
Energy: 1.340789100303211
Energy: 1.4171120334855138
Energy: 1.3559438934513948
Energy: 1.4171120329674831
Energy: 1.3581328262677546
Energy: 1.5434591118295955
Energy: 1.8207610564833359
Energy: 1.5434591118280507
Energy: 1.3581328262677546
Energy: 1.543459111826506
Energy: 1.3308445490649672
Energy: 1.4881386940624437
Energy: 1.7237719695644624
Energy: 1.4881386940431351
Energy: 1.3308445490657397
Energy: 1.4881386940431351
Energy: 1.3602020037225133
Energy: 1.4178375642769967
Energy: 1.3324423325270938
Energy: 1.4178375642662189
Energy: 1.3602020037240579
Energy: 1.4178375643063452
Energy: 1.4012306153266552
Energy: 1.5838196343060347
Energy: 1.3424698557838832
Energy: 1.5838196343075794
Energy: 1.4012306153258827
Energy: 1.5838196343083517

minimum gb energy = 1.323634190292874 eV
minimum distance =  2.23326557216313 Angstroms
sigma value = 81


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

Energy: 1.3698511811994665
Energy: 1.3751766081390713
Energy: 1.900886449671772
Energy: 1.375176608138781
Energy: 1.369851181200047
Energy: 1.375176608138781
Energy: 1.5669037700992696
Energy: 1.3745524782396477
Energy: 1.3697786011959403
Energy: 1.3745524782393577
Energy: 1.56690377009956
Energy: 1.3745524782393577
Energy: 1.3697364607515787
Energy: 1.374189788517252
Energy: 1.5671009607980622
Energy: 1.3741897885166716
Energy: 1.369736460751869
Energy: 1.3741897885166716
Energy: 1.713683827669759
Energy: 1.375176608138781
Energy: 1.3698511812008853
Energy: 1.3751766081384906
Energy: 1.7136838276688884
Energy: 1.3751766081390713
Energy: 1.3697786011962303
Energy: 1.3745524782407763
Energy: 1.56690377009956
Energy: 1.374552478240196
Energy: 1.3697786011959403
Energy: 1.3745524782410667
Energy: 1.5671009607974815
Energy: 1.3741897885161232
Energy: 1.369736460751869
Energy: 1.374189788517252
Energy: 1.5671009607971917
Energy: 1.3741897885161232
Energy: 1.369851181200047
Energy: 1.375176608138781
Energy: 1.7136838276691784
Energy: 1.3751766081382006
Energy: 1.3698511812005951
Energy: 1.3751766081384906
Energy: 1.5669037701001405
Energy: 1.3745524782407763
Energy: 1.3697786011959403
Energy: 1.3745524782399057
Energy: 1.56690377009956
Energy: 1.3745524782404863
Energy: 1.3697364607512885
Energy: 1.374189788516962
Energy: 1.5671009607966433
Energy: 1.3741897885166716
Energy: 1.3697364607521594
Energy: 1.3741897885161232
Energy: 1.713683827669759
Energy: 1.3751766081390713
Energy: 1.3698511812005951
Energy: 1.3751766081390713
Energy: 1.713683827669759
Energy: 1.3751766081379426

minimum gb energy = 1.3697364607512885 eV
minimum distance =  2.2332450937685 Angstroms
sigma value = 3


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

Energy: 1.6756736326278145
Energy: 1.682895359976941
Energy: 1.575907305635046
Energy: 1.6828953599743932
Energy: 1.675673632646497
Energy: 1.6828953599735443
Energy: 1.5784962436399732
Energy: 1.3630184372419352
Energy: 1.300372942127396
Energy: 1.363018437241086
Energy: 1.5784962436425207
Energy: 1.363018437240237
Energy: 1.3385586613234435
Energy: 1.3382883091493523
Energy: 1.4714207194214084
Energy: 1.3382883091518998
Energy: 1.3385586613234435
Energy: 1.338288309152749
Energy: 1.7272813459119134
Energy: 1.6822780879561376
Energy: 1.355829645039514
Energy: 1.6822780879646297
Energy: 1.7272813459127625
Energy: 1.6822780879841615
Energy: 1.3439759129883324
Energy: 1.3419267777916446
Energy: 1.6552195170332413
Energy: 1.341926777792494
Energy: 1.3439759129891815
Energy: 1.341926777792494
Energy: 1.4902359583690838
Energy: 1.4025119017986964
Energy: 1.3040427745646292
Energy: 1.4025119017986964
Energy: 1.4902359583605918
Energy: 1.4025119017986964
Energy: 1.3442867260267897
Energy: 1.35115019441429
Energy: 1.4866208366239393
Energy: 1.3511501944134412
Energy: 1.344286726027639
Energy: 1.35115019441429
Energy: 1.341230544086431
Energy: 1.7342542819692153
Energy: 1.353248860193761
Energy: 1.7342542819692153
Energy: 1.34123054408728
Energy: 1.7342542819692153
Energy: 1.3415561992285034
Energy: 1.5261533030689483
Energy: 1.645819070486778
Energy: 1.5261533030697976
Energy: 1.3415561992285034
Energy: 1.5261533030689483
Energy: 1.3388107224247807
Energy: 1.36484348222268
Energy: 1.299039732565446
Energy: 1.3648434822209814
Energy: 1.3388107224239703
Energy: 1.3648434822243782
Energy: 1.6579955945866847
Energy: 1.565928567573143
Energy: 1.3739779117504394
Energy: 1.565928567573992
Energy: 1.6579955945841371
Energy: 1.5659285675748413
Energy: 1.6620349661407021
Energy: 1.3277811534265291
Energy: 1.3017587878096488
Energy: 1.3277811534256796
Energy: 1.6620349661424003
Energy: 1.3277811534248305
Energy: 1.3414039147108492
Energy: 1.4287997258749499
Energy: 1.3016682415406524
Energy: 1.4287997258698546
Energy: 1.3414039147108492
Energy: 1.4287997258732514
Energy: 1.339030787868374
Energy: 1.4141813908448897
Energy: 1.3547464635462023
Energy: 1.4141813908448897
Energy: 1.339030787868374
Energy: 1.4141813908440406
Energy: 1.3458063400785993
Energy: 1.3539051459758706
Energy: 1.3516351558092983
Energy: 1.3539051459801168
Energy: 1.3458063400785993
Energy: 1.3539051459733231
Energy: 1.3431291833303651
Energy: 1.364311939472906
Energy: 1.303585182913383
Energy: 1.3643119394737553
Energy: 1.3431291833295158
Energy: 1.3643119394737553
Energy: 1.3455647084696956
Energy: 1.4164541335810947
Energy: 1.3038531888731317
Energy: 1.4164541335726024
Energy: 1.3455647084696956
Energy: 1.416454133585341
Energy: 1.3425554905834074
Energy: 1.441714096741289
Energy: 1.3517288065922088
Energy: 1.4417140967395903
Energy: 1.342555490582558
Energy: 1.441714096741289
Energy: 1.3392552593073495
Energy: 1.4158548136327134
Energy: 1.3514598860459293
Energy: 1.4158548136335627
Energy: 1.3392552593073495
Energy: 1.4158548136335627
Energy: 1.3394585958172727
Energy: 1.3463239733708725
Energy: 1.3017802135128513
Energy: 1.3463239740363822
Energy: 1.3394585958164236
Energy: 1.3463239735661134
Energy: 1.661182999169489
Energy: 1.3286274852964493
Energy: 1.301792896810694
Energy: 1.3286274852998463
Energy: 1.6611829991686398
Energy: 1.3286274852998463
Energy: 1.6569869415510932
Energy: 1.5701693690955412
Energy: 1.3722758800807375
Energy: 1.5701693690938425
Energy: 1.6569869415510932
Energy: 1.5701693690946918
Energy: 1.3386762379315307
Energy: 1.3641006554817945
Energy: 1.3025181335060951
Energy: 1.3641006554817945
Energy: 1.3386762379306811
Energy: 1.3641006554817945
Energy: 1.339250689802294
Energy: 1.533215387149408
Energy: 1.6269154391172325
Energy: 1.5332153871485588
Energy: 1.3392506898014447
Energy: 1.533215387149408
Energy: 1.3418224371803802
Energy: 1.4418331075593225
Energy: 1.3532500575940363
Energy: 1.4418331075593225
Energy: 1.3418224371787204
Energy: 1.4418331075601718
Energy: 1.3435647080276412
Energy: 1.5295539555662558
Energy: 1.4351379630972516
Energy: 1.5295545633739458
Energy: 1.3435647080276412
Energy: 1.5295557695562751
Energy: 1.341939154696882
Energy: 1.5646263547433108
Energy: 1.3006135325812958
Energy: 1.5646263547433108
Energy: 1.3419391546977313
Energy: 1.56462635474416
Energy: 1.343408567251081
Energy: 1.4075685367428152
Energy: 1.6564868488766464
Energy: 1.407568536741117
Energy: 1.343408567251081
Energy: 1.407568536741966
Energy: 1.451128732040262
Energy: 1.737185548898714
Energy: 1.3559562224127335
Energy: 1.737185548898714
Energy: 1.4511287320368653
Energy: 1.737185548898714
Energy: 1.3377132448371138
Energy: 1.358474820471636
Energy: 1.4657848140892087
Energy: 1.3584748204724852
Energy: 1.3377132448371138
Energy: 1.3584748204733341
Energy: 1.5690447167222266
Energy: 1.362322092293032
Energy: 1.2994650315594796
Energy: 1.362322092291372
Energy: 1.5690447167426076
Energy: 1.3623220922896735
Energy: 1.6698491245767768
Energy: 1.682610037897363
Energy: 1.368166086990451
Energy: 1.6826100378990612
Energy: 1.6698491245776261
Energy: 1.682610037897363
Energy: 1.5688581705368603
Energy: 1.3648992516187497
Energy: 1.2985034817074266
Energy: 1.3648992516187497
Energy: 1.5688581705351616
Energy: 1.3648992516179008

minimum gb energy = 1.2985034817074266 eV
minimum distance =  2.18886311293064 Angstroms
sigma value = 67


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

Energy: 1.323399748914648
Energy: 1.7446376186009633
Energy: 1.7874108565460842
Energy: 1.7446376185997534
Energy: 1.323399748914648
Energy: 1.7446376185961232
Energy: 1.6769359849055554
Energy: 1.2971474633510334
Energy: 1.276261286447468
Energy: 1.2971474633534534
Energy: 1.6769359848209082
Energy: 1.2971474633534534
Energy: 1.2977507176717344
Energy: 1.4074964750464138
Energy: 1.4875371779801325
Energy: 1.407496475045204
Energy: 1.2977507176717344
Energy: 1.407496475045204
Energy: 1.702692626155762
Energy: 1.6735657686432521
Energy: 1.2806160317670148
Energy: 1.6735657686432521
Energy: 1.702692626161812
Energy: 1.6735657686432521
Energy: 1.2759878668203828
Energy: 1.7718151905231607
Energy: 1.6684905903221012
Energy: 1.7718151905231607
Energy: 1.275987866819173
Energy: 1.7718151905231607
Energy: 1.2761417835507127
Energy: 1.5623908955567114
Energy: 1.276918397513076
Energy: 1.562390895557921
Energy: 1.2761417835482927
Energy: 1.5623908955567114
Energy: 1.296382162051841
Energy: 1.2933841709996985
Energy: 1.3046228500597685
Energy: 1.2933841709984883
Energy: 1.296382162053051
Energy: 1.2933841709984883
Energy: 1.2986682086786334
Energy: 1.5405302368459242
Energy: 1.6839933976577455
Energy: 1.5405302368459242
Energy: 1.2986682086774237
Energy: 1.5405302368459242
Energy: 1.3001211004001596
Energy: 1.3225520534933821
Energy: 1.682939415427702
Energy: 1.3225520534933821
Energy: 1.3001211004001596
Energy: 1.3225520534933821
Energy: 1.301237217234691
Energy: 1.292029611867899
Energy: 1.3046993145952566
Energy: 1.292029611863059
Energy: 1.301237217234691
Energy: 1.2920296118449086
Energy: 1.2773210159460888
Energy: 1.451525594562173
Energy: 1.3057658253851872
Energy: 1.451525594562173
Energy: 1.2773210159460888
Energy: 1.451525594560963
Energy: 1.2800981194820562
Energy: 1.3346817831132498
Energy: 1.2802260514082815
Energy: 1.3346817831132498
Energy: 1.2800981194820562
Energy: 1.3346817831132498
Energy: 1.3053190835144022
Energy: 1.4510967623929183
Energy: 1.279705869134263
Energy: 1.4510967623929183
Energy: 1.3053190835144022
Energy: 1.4510967623917082
Energy: 1.3050768292755002
Energy: 1.2933681402314912
Energy: 1.3009329900431545
Energy: 1.293368140317403
Energy: 1.3050768292755002
Energy: 1.293368140132324
Energy: 1.6836673365788315
Energy: 1.3223022090772718
Energy: 1.3000101863438924
Energy: 1.3223022090772718
Energy: 1.6836673365788315
Energy: 1.322302209078482
Energy: 1.6849212599689196
Energy: 1.5425232887576479
Energy: 1.298049296213457
Energy: 1.5425232887576479
Energy: 1.6849212599701298
Energy: 1.5425232887576479
Energy: 1.3036869406322853
Energy: 1.2940434094821018
Energy: 1.2797993690929605
Energy: 1.2940434094845221
Energy: 1.3036869406250802
Energy: 1.2940434094821018
Energy: 1.2767208718182543
Energy: 1.5618683887227527
Energy: 1.2760533998396397
Energy: 1.5618683887227527
Energy: 1.2767208718182543
Energy: 1.5618683887227527
Energy: 1.6613480443567645
Energy: 1.7713414885801404
Energy: 1.2760731526094142
Energy: 1.7713414885789305
Energy: 1.6613480443543442
Energy: 1.7713414885789305
Energy: 1.2803764768519916
Energy: 1.676266590167719
Energy: 1.7014269033706773
Energy: 1.676266590167719
Energy: 1.2803764768519916
Energy: 1.676266590166509
Energy: 1.4842335613387398
Energy: 1.4074964750464138
Energy: 1.2808136610992948
Energy: 1.4074964750464138
Energy: 1.4842335738400196
Energy: 1.4074964750464138
Energy: 1.2762419398314828
Energy: 1.2938886065988005
Energy: 1.682607523262658
Energy: 1.2938886066000106
Energy: 1.2762419398314828
Energy: 1.2938886066000106
Energy: 1.5473670490868288
Energy: 1.7446376186009633
Energy: 1.323399748914648
Energy: 1.7446376186033836
Energy: 1.5473670490868288
Energy: 1.7446376186021735

minimum gb energy = 1.275987866819173 eV
minimum distance =  2.19989602983363 Angstroms
sigma value = 33


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

Energy: 1.5364624436066592
Energy: 1.7872087903172746
Energy: 1.702581025517234
Energy: 1.787208790324951
Energy: 1.5364624436058916
Energy: 1.787208790324951
Energy: 1.7065224280772668
Energy: 1.504646693774822
Energy: 1.2354086907367943
Energy: 1.5046466937947798
Energy: 1.706522428074964
Energy: 1.5046466937617722
Energy: 1.2335518290285767
Energy: 1.3237560302430864
Energy: 1.6153944897943329
Energy: 1.3237560302446216
Energy: 1.2335518290285767
Energy: 1.3237560302453895
Energy: 1.308135446795758
Energy: 1.351710811423377
Energy: 1.241785362317492
Energy: 1.3517113861574614
Energy: 1.3081354467949902
Energy: 1.3517109554458275
Energy: 1.4596340078557666
Energy: 1.5441076436342085
Energy: 1.445893407846776
Energy: 1.5441076436525962
Energy: 1.4596340078542314
Energy: 1.5441076436311378
Energy: 1.4593112297544284
Energy: 1.4232817826173143
Energy: 1.237758377129008
Energy: 1.4232817826150117
Energy: 1.4593112297536956
Energy: 1.4506342856878962
Energy: 1.2293649154602804
Energy: 1.257294700038351
Energy: 1.2478278486807248
Energy: 1.2572947000360482
Energy: 1.2293649154610131
Energy: 1.257294700038351
Energy: 1.25322362706991
Energy: 1.229254673576081
Energy: 1.4597976045365195
Energy: 1.2292546735860599
Energy: 1.2532236270706776
Energy: 1.2292546735929686
Energy: 1.4412696395414026
Energy: 1.4282794736797058
Energy: 1.4557840345350235
Energy: 1.4282794736804734
Energy: 1.441269639540635
Energy: 1.428279473678938
Energy: 1.2367360142866093
Energy: 1.248039176485904
Energy: 1.2264199560485691
Energy: 1.2480391764774947
Energy: 1.236736014285842
Energy: 1.3980751623161445
Energy: 1.2244043066425567
Energy: 1.4411934969326008
Energy: 1.2532656788408978
Energy: 1.4411934969318332
Energy: 1.2244043066425567
Energy: 1.4411934969318332
Energy: 1.227573725466905
Energy: 1.2934416283675063
Energy: 1.7223652803717955
Energy: 1.2934416283667387
Energy: 1.2275737254661374
Energy: 1.293441628368274
Energy: 1.4685583069841028
Energy: 1.5579845772083771
Energy: 1.527147076113289
Energy: 1.5579845772091447
Energy: 1.4685583069810322
Energy: 1.5579845772076095
Energy: 1.2352962803225649
Energy: 1.2506257762171085
Energy: 1.2348689210333434
Energy: 1.250625776180298
Energy: 1.2352962803225649
Energy: 1.2506257759715755
Energy: 1.4566321037315952
Energy: 1.311981370866556
Energy: 1.2268786401393095
Energy: 1.3119813708680914
Energy: 1.4566321037315952
Energy: 1.3119813708657886
Energy: 1.2419065387394788
Energy: 1.4739037197286065
Energy: 1.6486287315666495
Energy: 1.473903719729374
Energy: 1.2419065387394788
Energy: 1.4739037197286065
Energy: 1.7023801748860694
Energy: 1.7933148665239116
Energy: 1.506117640659238
Energy: 1.7933148665246794
Energy: 1.7023801748891398
Energy: 1.793314866523144
Energy: 1.2256993938282292
Energy: 1.2588841744308996
Energy: 1.631379104836938
Energy: 1.2588841744270616
Energy: 1.2256993938282292
Energy: 1.2588841744308996
Energy: 1.4756522597927073
Energy: 1.2603962329441225
Energy: 1.2293263056510808
Energy: 1.2603962329379816
Energy: 1.475652259798848
Energy: 1.2603962329441225
Energy: 1.4744997060409808
Energy: 1.5446925532721374
Energy: 1.249332567299929
Energy: 1.5446925532690667
Energy: 1.4744997060448188
Energy: 1.5446925532713698
Energy: 1.705260954729312
Energy: 1.404683121957396
Energy: 1.2373379363086703
Energy: 1.4046831219497198
Energy: 1.7052609547285444
Energy: 1.4046831219481846
Energy: 1.2338942221708766
Energy: 1.4456020085969752
Energy: 1.445718642491379
Energy: 1.4456020085985106
Energy: 1.2338942221708766
Energy: 1.445602008597743
Energy: 1.2478221929011042
Energy: 1.4435852443630064
Energy: 1.2287251420806349
Energy: 1.4435852443630064
Energy: 1.2478221929003368
Energy: 1.4435852443630064
Energy: 1.5128307147276976
Energy: 1.5778593609775966
Energy: 1.224578333329765
Energy: 1.5778593609775966
Energy: 1.5128307147276976
Energy: 1.5778593609783642
Energy: 1.7218646512958387
Energy: 1.2963989748472937
Energy: 1.2244085500833723
Energy: 1.2963989748472937
Energy: 1.7218646512958387
Energy: 1.296398974846526
Energy: 1.2604606913970566
Energy: 1.4506110409742599
Energy: 1.2332123066634095
Energy: 1.4506110409742599
Energy: 1.2604606913962892
Energy: 1.4506110409734922
Energy: 1.226777992790683
Energy: 1.4518252412005686
Energy: 1.4413203480476446
Energy: 1.4518252412005686
Energy: 1.226777992790683
Energy: 1.4518252412005686
Energy: 1.458653438221905
Energy: 1.4238051194991725
Energy: 1.2367697942053184
Energy: 1.4238051195014754
Energy: 1.4586534382211374
Energy: 1.4238051194999402
Energy: 1.4586900928523454
Energy: 1.2307911896485904
Energy: 1.2483265597839672
Energy: 1.2307911873820245
Energy: 1.4586900928546482
Energy: 1.2307911865265146
Energy: 1.2515795004010186
Energy: 1.257053298448173
Energy: 1.231058340332959
Energy: 1.257053298448906
Energy: 1.251579500400251
Energy: 1.257053298448173
Energy: 1.229384844190121
Energy: 1.4237854918556734
Energy: 1.7055490474676842
Energy: 1.4237854918549058
Energy: 1.2293848441893536
Energy: 1.4237854918541384
Energy: 1.4441212384121271
Energy: 1.7784265651947784
Energy: 1.4748710083900802
Energy: 1.7784265651978488
Energy: 1.4441212384105917
Energy: 1.778426565201687
Energy: 1.2401957395343643
Energy: 1.4823480462561993
Energy: 1.5486674477287272
Energy: 1.482348046256967
Energy: 1.2401957395343643
Energy: 1.4823480462561993
Energy: 1.7124992748570862
Energy: 1.3099504657997652
Energy: 1.2334713794845913
Energy: 1.3099504657989978
Energy: 1.7124992748570862
Energy: 1.3099504657989978
Energy: 1.2317143941974698
Energy: 1.4979696836165566
Energy: 1.5853771416005518
Energy: 1.497969683617324
Energy: 1.2317143941974698
Energy: 1.497969683617324
Energy: 1.468388486991294
Energy: 1.558110144748921
Energy: 1.5420165256094438
Energy: 1.5581101447496883
Energy: 1.4683884869928294
Energy: 1.5581101447450827
Energy: 1.2289352973563512
Energy: 1.6367539421978663
Energy: 1.722948191677803
Energy: 1.636753942198634
Energy: 1.2289352973563512
Energy: 1.636753942196331

minimum gb energy = 1.2244043066425567 eV
minimum distance =  2.18520851026477 Angstroms
sigma value = 41


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

Energy: 1.0832164992823572
Energy: 1.0584588106399564
Energy: 1.8357958172721431
Energy: 1.0584588106399564
Energy: 1.0832164992802615
Energy: 1.0584588106399564
Energy: 1.632717571335267
Energy: 1.0551089510410758
Energy: 1.0536752445434783
Energy: 1.0551089510410758
Energy: 1.632717571335267
Energy: 1.0551089510410758
Energy: 1.0838122091917073
Energy: 1.2443349589619086
Energy: 1.2828158678646044
Energy: 1.2443349589619086
Energy: 1.0838122091917073
Energy: 1.2443349589619086
Energy: 1.6589475542819703
Energy: 1.0556117663519538
Energy: 1.053634158441977
Energy: 1.0556117663519538
Energy: 1.6589475542798746
Energy: 1.0556117663519538
Energy: 1.0808905537685622
Energy: 1.4558729538993704
Energy: 1.0558753981925788
Energy: 1.4558729538993704
Energy: 1.0808905537706581
Energy: 1.4558729539014663
Energy: 1.0789385738530168
Energy: 1.0978401689933939
Energy: 1.0533619384744854
Energy: 1.0978401689933939
Energy: 1.0789385910625713
Energy: 1.0978401689933939
Energy: 1.6588817822403275
Energy: 1.0556157386936633
Energy: 1.054005336371138
Energy: 1.0556157386957592
Energy: 1.6588817822382314
Energy: 1.0556157386957592
Energy: 1.0839187147427791
Energy: 1.0603976858934883
Energy: 1.0545224572270673
Energy: 1.0603976858934883
Energy: 1.0839187147406832
Energy: 1.0603976858934883
Energy: 1.6036423606674761
Energy: 1.1015785324430247
Energy: 1.053357653783593
Energy: 1.1015785324430247
Energy: 1.6036423606674761
Energy: 1.1015785324430247
Energy: 1.0855949902024764
Energy: 1.4568183489885966
Energy: 1.0577244134945238
Energy: 1.456818348990692
Energy: 1.0855949902045723
Energy: 1.456818348990692
Energy: 1.6234702722067085
Energy: 1.0599745344271765
Energy: 1.0613875943755808
Energy: 1.0599745344271765
Energy: 1.6234702722067085
Energy: 1.0599745344271765
Energy: 1.0958456764708995
Energy: 1.2439376146853793
Energy: 1.6721864876313204
Energy: 1.2439376146853793
Energy: 1.0958456764708995
Energy: 1.2439376146853793
Energy: 1.625029227934097
Energy: 1.0601226563527002
Energy: 1.0636771980425923
Energy: 1.060122656350604
Energy: 1.625029227934097
Energy: 1.060122656350604
Energy: 1.085564538963159
Energy: 1.453252629143765
Energy: 1.0577262089218744
Energy: 1.453252629145861
Energy: 1.085564538963159
Energy: 1.453252629154244

minimum gb energy = 1.053357653783593 eV
minimum distance =  2.20766740805275 Angstroms
sigma value = 11


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

Energy: 1.6054410579794693
Energy: 1.2846499866595367
Energy: 1.7252045764669015
Energy: 1.2846499866604575
Energy: 1.6054410579813108
Energy: 1.2846499866604575
Energy: 1.5764526428822057
Energy: 1.5860261288477058
Energy: 1.258297979295927
Energy: 1.5860261288477058
Energy: 1.576452642881285
Energy: 1.5860261288477058
Energy: 1.2601058874981212
Energy: 1.390551703936219
Energy: 1.2618321761357691
Energy: 1.3905517039371396
Energy: 1.2601058874981212
Energy: 1.3905517039371396
Energy: 1.2853392415479805
Energy: 1.2964001418315483
Energy: 1.2624803203328219
Energy: 1.2964001418287863
Energy: 1.2853392415470597
Energy: 1.2964001418315483
Energy: 1.497745833334747
Energy: 1.4694305929116331
Energy: 1.2840029918043554
Energy: 1.4694305929107123
Energy: 1.497745833334747
Energy: 1.4694305929107123
Energy: 1.2943347035045825
Energy: 1.4810026169944945
Energy: 1.4806195179090011
Energy: 1.4810026169926531
Energy: 1.2943347035045825
Energy: 1.4810026169889703
Energy: 1.2842865111318345
Energy: 1.58992846179558
Energy: 1.3172829924257423
Energy: 1.58992846179558
Energy: 1.2842865111051551
Energy: 1.58992846179558
Energy: 1.260413048277424
Energy: 1.2969441365747332
Energy: 1.370315997992863
Energy: 1.2969441365738126
Energy: 1.260413048277424
Energy: 1.296944136575654
Energy: 1.55471613700905
Energy: 1.3539198551920273
Energy: 1.2581935415632688
Energy: 1.3539198551911067
Energy: 1.55471613700905
Energy: 1.3539198551920273
Energy: 1.2584386691481173
Energy: 1.4792009169339633
Energy: 1.361266933476524
Energy: 1.4792009169339633
Energy: 1.2584386691481173
Energy: 1.4792009169348839
Energy: 1.4927823364666937
Energy: 1.6126496010370923
Energy: 1.5450588078450866
Energy: 1.6126496011088647
Energy: 1.4927823364666937
Energy: 1.6126496010600888
Energy: 1.2611406666043694
Energy: 1.497891339730516
Energy: 1.478746208470218
Energy: 1.4978913397314366
Energy: 1.2611406666043694
Energy: 1.497891339730516
Energy: 1.2589070757612846
Energy: 1.3903036193923572
Energy: 1.3795865075587859
Energy: 1.3903036193914367
Energy: 1.2589070757612846
Energy: 1.3903036193923572
Energy: 1.2775752673692489
Energy: 1.3618866668721235
Energy: 1.2770303959456573
Energy: 1.3618866668730445
Energy: 1.2775752673692489
Energy: 1.3618866668721235
Energy: 1.2592212820979805
Energy: 1.5380752729240565
Energy: 1.481101465511777
Energy: 1.5380752729240565
Energy: 1.2592212820970599
Energy: 1.5380752729240565
Energy: 1.6275643366237162
Energy: 1.572175313199119
Energy: 1.2959320175818079
Energy: 1.572175313199119
Energy: 1.6275643366237162
Energy: 1.572175313199119
Energy: 1.316885148590482
Energy: 1.5899257180358803
Energy: 1.4495506650602028
Energy: 1.5899257180358803
Energy: 1.316885148590482
Energy: 1.5899257180368012
Energy: 1.4810409478870294
Energy: 1.5377293613167464
Energy: 1.2615811446060208
Energy: 1.5377293613158258
Energy: 1.4810409478870294
Energy: 1.5377293613167464
Energy: 1.279937834698907
Energy: 1.3906424121702203
Energy: 1.2745832033211146
Energy: 1.3906424121702203
Energy: 1.2799378346998276
Energy: 1.3906424121692997
Energy: 1.2576475774356293
Energy: 1.3914145218811065
Energy: 1.25734994764529
Energy: 1.3914145218811065
Energy: 1.257647577434709
Energy: 1.3914145218820269
Energy: 1.4785958395619023
Energy: 1.4117013939710141
Energy: 1.2581088113376597
Energy: 1.4117013939700933
Energy: 1.478595839562823
Energy: 1.4117013939691727
Energy: 1.5456155091596728
Energy: 1.6214419808282978
Energy: 1.490620388471909
Energy: 1.6214419808282978
Energy: 1.5456155091578316
Energy: 1.6214419808282978
Energy: 1.2749472688718766
Energy: 1.4797629912239632
Energy: 1.2829552594356448
Energy: 1.4797629912239632
Energy: 1.2749472688691146
Energy: 1.4797629912239632
Energy: 1.2579222838584372
Energy: 1.3620729015898525
Energy: 1.5566450740730817
Energy: 1.3620729015898525
Energy: 1.2579222838593576
Energy: 1.3620729015898525
Energy: 1.3383953531204478
Energy: 1.294679615986643
Energy: 1.2592584792676218
Energy: 1.294679615986643
Energy: 1.3383953531195272
Energy: 1.2946796159857223
Energy: 1.2945912980905814
Energy: 1.4546915549897286
Energy: 1.2773912815996809
Energy: 1.4546915549897286
Energy: 1.2945912980896608
Energy: 1.4546915549897286
Energy: 1.4815647815053616
Energy: 1.4965542717638054
Energy: 1.497545618111995
Energy: 1.4965542717619642
Energy: 1.4815647815053616
Energy: 1.496554271762885
Energy: 1.276371840350264
Energy: 1.4565466854056128
Energy: 1.2945206729837382
Energy: 1.4565466854056128
Energy: 1.276371840350264
Energy: 1.4565466854046922
Energy: 1.2623767753634516
Energy: 1.2943024211166487
Energy: 1.277360826253422
Energy: 1.2943024211148075
Energy: 1.2623767753625312
Energy: 1.2943024211175695
Energy: 1.26410076947131
Energy: 1.391083269169435
Energy: 1.2603825579870673
Energy: 1.3910832691676145
Energy: 1.26410076947131
Energy: 1.3910832691676145
Energy: 1.258666747169215
Energy: 1.5900610979897187
Energy: 1.5461797433281037
Energy: 1.590061097987877
Energy: 1.258666747166453
Energy: 1.590061097987877

minimum gb energy = 1.25734994764529 eV
minimum distance =  2.18877702449493 Angstroms
sigma value = 57


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

Energy: 1.3692092133681473
Energy: 1.372296100294918
Energy: 1.8215746397083363
Energy: 1.372296100294918
Energy: 1.3692092133681473
Energy: 1.372296100294918
Energy: 1.3266479668813629
Energy: 1.347870619528596
Energy: 1.3174096792331125
Energy: 1.347870619528596
Energy: 1.3266479668813629
Energy: 1.37177179439443
Energy: 1.3164094348105018
Energy: 1.3772862253060527
Energy: 1.3157395742482936
Energy: 1.377286225307691
Energy: 1.3164094348219335
Energy: 1.3772862253060527
Energy: 1.3159315406580367
Energy: 1.6233921739718968
Energy: 1.3164229840029815
Energy: 1.4772385293464627
Energy: 1.3159315406596752
Energy: 1.4027340167531517
Energy: 1.3158392298615338
Energy: 1.37759062920414
Energy: 1.316926892793521
Energy: 1.37759062920414
Energy: 1.3158392298615338
Energy: 1.3775906292025388
Energy: 1.3179214054041102
Energy: 1.348613373446324
Energy: 1.3267913156478326
Energy: 1.348613373446324
Energy: 1.3179214054057484
Energy: 1.348613373446324
Energy: 1.8215746397066979
Energy: 1.372296100294918
Energy: 1.3692092133665088
Energy: 1.372296100294918
Energy: 1.8215746397083363
Energy: 1.372296100294918
Energy: 1.3174096792314742
Energy: 1.466299801617155
Energy: 1.3266479668846394
Energy: 1.466299801617155
Energy: 1.3174096792314742
Energy: 1.466299801617155
Energy: 1.3157395742482936
Energy: 1.377286225307691
Energy: 1.3164094348170556
Energy: 1.3772862253060527
Energy: 1.315739574246655
Energy: 1.377286225307691
Energy: 1.3164229840029815
Energy: 1.4027340199367546
Energy: 1.3159315406580367
Energy: 1.4027340196501492
Energy: 1.3164229840013433
Energy: 1.407454081278371
Energy: 1.316926892793521
Energy: 1.37759062920414
Energy: 1.3158392298615338
Energy: 1.37759062920414
Energy: 1.316926892793521
Energy: 1.37759062920414
Energy: 1.326791315649471
Energy: 1.348613373446324
Energy: 1.3179214054024717
Energy: 1.3486133734479624
Energy: 1.3267913156478326
Energy: 1.348613373446324
Energy: 1.3692092133681473
Energy: 1.3722961002965566
Energy: 1.6279288627150759
Energy: 1.372296100294918
Energy: 1.3692092133665088
Energy: 1.372296100294918
Energy: 1.3266479668830011
Energy: 1.37177179439443
Energy: 1.3174096792314742
Energy: 1.37177179439443
Energy: 1.3266479668830011
Energy: 1.37177179439443
Energy: 1.316409434815417
Energy: 1.3772862253060527
Energy: 1.315739574246655
Energy: 1.3772862253060527
Energy: 1.3164094348235718
Energy: 1.3772862253060527
Energy: 1.3159315406580367
Energy: 1.4027340233086603
Energy: 1.3164229840029815
Energy: 1.4027340234183947
Energy: 1.3159315406596752
Energy: 1.40273402334962
Energy: 1.3158392298615338
Energy: 1.37759062920414
Energy: 1.316926892793521
Energy: 1.37759062920414
Energy: 1.3158392298615338
Energy: 1.37759062920414

minimum gb energy = 1.315739574246655 eV
minimum distance =  2.22037003097988 Angstroms
sigma value = 9


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

Energy: 1.4691783059367982
Energy: 1.448979610287141
Energy: 1.5744077987596303
Energy: 1.448979610287141
Energy: 1.4691783059327854
Energy: 1.4489796102858035
Energy: 1.3789739496407358
Energy: 1.4508625437045986
Energy: 1.3504848407699472
Energy: 1.4508625437045986
Energy: 1.3789739496420732
Energy: 1.4508625437059361
Energy: 1.354709458255602
Energy: 1.4249790791942785
Energy: 1.352150490645211
Energy: 1.4249790791942785
Energy: 1.354709458255602
Energy: 1.4249790791956165
Energy: 1.3537323770143646
Energy: 1.350796750755375
Energy: 1.3879814937636643
Energy: 1.350796750755375
Energy: 1.3537323770143646
Energy: 1.3507967507540377
Energy: 1.3809305017222466
Energy: 1.4497437921590917
Energy: 1.3532102974261746
Energy: 1.4497437921590917
Energy: 1.380930501720909
Energy: 1.4497437921590917
Energy: 1.3584164365958697
Energy: 1.354571366513501
Energy: 1.5713915931978786
Energy: 1.3545713665121637
Energy: 1.3584164365958697
Energy: 1.354571366513501
Energy: 1.3574203830673142
Energy: 1.423510949241981
Energy: 1.3539287975416194
Energy: 1.423510949237968
Energy: 1.3574203830673142
Energy: 1.4235109492393057
Energy: 1.4046137592914418
Energy: 1.4943394544578552
Energy: 1.3581838926199299
Energy: 1.4943394544578552
Energy: 1.4046137592914418
Energy: 1.4943394544578552
Energy: 1.4006287069116152
Energy: 1.4215122533019457
Energy: 1.3673755134063916
Energy: 1.4215122533019457
Energy: 1.400628706912953
Energy: 1.4215122533006084
Energy: 1.3565777848938734
Energy: 1.4653101302213243
Energy: 1.3523185708791243
Energy: 1.4653101302213243
Energy: 1.356577784895211
Energy: 1.4653101302213243
Energy: 1.3570333543957396
Energy: 1.3666714661506472
Energy: 1.3869931935292028
Energy: 1.3666714661493096
Energy: 1.3570333543957396
Energy: 1.3666714661479717
Energy: 1.3537966791122777
Energy: 1.4261728795051212
Energy: 1.4197279143959878
Energy: 1.4261728795051212
Energy: 1.3537966791136156
Energy: 1.4261728795051212
Energy: 1.3562139000493427
Energy: 1.4281021196763868
Energy: 1.4078145722126374
Energy: 1.4281021196763868
Energy: 1.3562139000480051
Energy: 1.4281021196763868
Energy: 1.353965652212593
Energy: 1.3515132071139153
Energy: 1.3648638477059454
Energy: 1.3515132071125775
Energy: 1.353965652212593
Energy: 1.3515132071125775
Energy: 1.5486476566200222
Energy: 1.4648417519988113
Energy: 1.3661976058567455
Energy: 1.4648417519988113
Energy: 1.5486476566200222
Energy: 1.4648417519988113
Energy: 1.404577965760584
Energy: 1.4218743659976394
Energy: 1.3972742851881301
Energy: 1.4218743659976394
Energy: 1.404577965760584
Energy: 1.4218743659989774
Energy: 1.402847345059221
Energy: 1.4214301314933409
Energy: 1.3752361081045872
Energy: 1.421430131492003
Energy: 1.402847345059221
Energy: 1.4214301314946785
Energy: 1.4610960127967998
Energy: 1.4664432106131093
Energy: 1.353413304825312
Energy: 1.4664432106131093
Energy: 1.4610960127981376
Energy: 1.4664432106144472
Energy: 1.3566214385958044
Energy: 1.3530461014083635
Energy: 1.5824098072301154
Energy: 1.3530461014083635
Energy: 1.3566214385958044
Energy: 1.3530461014083635
Energy: 1.3541731678221078
Energy: 1.4497866744109833
Energy: 1.353222445190084
Energy: 1.4497866744109833
Energy: 1.3541731678221078
Energy: 1.4497866744109833
Energy: 1.3566100504161362
Energy: 1.3509247218029907
Energy: 1.3910718863868505
Energy: 1.3509247218029907
Energy: 1.3566100504161362
Energy: 1.3509247218029907

minimum gb energy = 1.3504848407699472 eV
minimum distance =  2.22219460881627 Angstroms
sigma value = 27


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

Energy: 1.5152669023243952
Energy: 1.5925842069440608
Energy: 1.5440508170407437
Energy: 1.5925842069440608
Energy: 1.5152669023243952
Energy: 1.5925842069440608
Energy: 1.4352418090092103
Energy: 1.4483098513030732
Energy: 1.3878154438694155
Energy: 1.4483098512805466
Energy: 1.4352418090092103
Energy: 1.4483098512895674
Energy: 1.3564716165668944
Energy: 1.4705156934145738
Energy: 1.3878468640191137
Energy: 1.4705156934134465
Energy: 1.3564716165668944
Energy: 1.470515693411191
Energy: 1.384586969894878
Energy: 1.4084858785884984
Energy: 1.4216117541388313
Energy: 1.4084858785873708
Energy: 1.384586969894878
Energy: 1.4084858785873708
Energy: 1.3326133635443016
Energy: 1.4732520520249064
Energy: 1.3531282355534013
Energy: 1.47325205203731
Energy: 1.3326133635443016
Energy: 1.4732520520384376
Energy: 1.3790990282582771
Energy: 1.3753984583718464
Energy: 1.3650128998636595
Energy: 1.3753984583729741
Energy: 1.3790990282582771
Energy: 1.3753984583718464
Energy: 1.360711714048976
Energy: 1.392096279374796
Energy: 1.3725335888487589
Energy: 1.3920962793736682
Energy: 1.360711714048976
Energy: 1.392096279374796
Energy: 1.3603143528058546
Energy: 1.4278602312099247
Energy: 1.3721448184693608
Energy: 1.4278602312099247
Energy: 1.3603143528058546
Energy: 1.4278602312099247
Energy: 1.4482415069672745
Energy: 1.4158191369390847
Energy: 1.43220816123569
Energy: 1.4158191369390847
Energy: 1.4482415069672745
Energy: 1.4158191369390847
Energy: 1.3764372134943237
Energy: 1.4998928373999683
Energy: 1.4053454604588174
Energy: 1.4998928374134994
Energy: 1.3764372134931961
Energy: 1.4998928374247755
Energy: 1.360400712065118
Energy: 1.4594913892499892
Energy: 1.4054071097340333
Energy: 1.4594913892499892
Energy: 1.360400712065118
Energy: 1.4594913892499892
Energy: 1.448303428965392
Energy: 1.415590321355191
Energy: 1.3635327448809151
Energy: 1.415590321355191
Energy: 1.4483034289665195
Energy: 1.415590321355191
Energy: 1.3766852052773297
Energy: 1.5024393996728174
Energy: 1.3719447440975152
Energy: 1.5024393996716896
Energy: 1.3766852052784573
Energy: 1.5024393996716896
Energy: 1.3570792928999202
Energy: 1.4490727841603672
Energy: 1.3724213490338608
Energy: 1.4490727841592397
Energy: 1.3570792928999202
Energy: 1.4490727841603672
Energy: 1.3865978386918305
Energy: 1.3757753929032437
Energy: 1.3648352645449746
Energy: 1.3757753929043715
Energy: 1.386597838692958
Energy: 1.3757753929021161
Energy: 1.3324997973243597
Energy: 1.4732520520350547
Energy: 1.350337099475449
Energy: 1.4732520520361823
Energy: 1.3324997973243597
Energy: 1.47325205203731
Energy: 1.3846700527285276
Energy: 1.4073906570392147
Energy: 1.3730612147520083
Energy: 1.4073906570392147
Energy: 1.3846700527285276
Energy: 1.4073906570392147
Energy: 1.3725943333276296
Energy: 1.477452716254195
Energy: 1.3880265605333777
Energy: 1.477452716254195
Energy: 1.3725943333265018
Energy: 1.4774527162530675
Energy: 1.3987924547372064
Energy: 1.5747461468684552
Energy: 1.387702870071936
Energy: 1.5747461468684552
Energy: 1.3987924547360788
Energy: 1.574746146871838
Energy: 1.5152669023243952
Energy: 1.5925842069451883
Energy: 1.5440508170396159
Energy: 1.5925842069440608
Energy: 1.5152669023232674
Energy: 1.5925842069440608
Energy: 1.4352418090092103
Energy: 1.4483098513120938
Energy: 1.3878154438694155
Energy: 1.4483098512861847
Energy: 1.4352418090092103
Energy: 1.4483098513278805
Energy: 1.3564716165657669
Energy: 1.4705156934134465
Energy: 1.3878468640191137
Energy: 1.4705156934123187
Energy: 1.3564716165657669
Energy: 1.4705156934100634
Energy: 1.384586969894878
Energy: 1.4084858785884984
Energy: 1.4216117541377038
Energy: 1.4084858785873708
Energy: 1.3845869698937503
Energy: 1.4084858785873708
Energy: 1.3326133635454294
Energy: 1.4732520520384376
Energy: 1.3531282355534013
Energy: 1.4732520520395653
Energy: 1.3326133635454294
Energy: 1.4732520520361823
Energy: 1.3790990282582771
Energy: 1.3753984583729741
Energy: 1.3650128998647872
Energy: 1.3753984583718464
Energy: 1.3790990282571496
Energy: 1.3753984583718464

minimum gb energy = 1.3324997973243597 eV
minimum distance =  2.22402722118146 Angstroms
sigma value = 19


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

Energy: 1.5383770904906113
Energy: 1.3231997844789647
Energy: 1.56852539324778
Energy: 1.3231997844779915
Energy: 1.5383770904906113
Energy: 1.3231997844789647
Energy: 1.386997749812696
Energy: 1.416071839320841
Energy: 1.2869837178122827
Energy: 1.4160718393198675
Energy: 1.386997749812696
Energy: 1.4160718393198675
Energy: 1.289138204766027
Energy: 1.4136622943215418
Energy: 1.2870795316965102
Energy: 1.4136622943215418
Energy: 1.289138204766027
Energy: 1.4136622943215418
Energy: 1.3218615647661511
Energy: 1.4315692921955339
Energy: 1.345648703069863
Energy: 1.4315692921955339
Energy: 1.3218615647671244
Energy: 1.4315692921955339
Energy: 1.3143122876692706
Energy: 1.3341263624928956
Energy: 1.3151735046467217
Energy: 1.3341263624928956
Energy: 1.3143122876692706
Energy: 1.334126362493869
Energy: 1.3028261588639036
Energy: 1.3867068459814438
Energy: 1.31606509753094
Energy: 1.3867068459794971
Energy: 1.3028261588639036
Energy: 1.3867068459804706
Energy: 1.3009779386185065
Energy: 1.3789138898886801
Energy: 1.3028322419373066
Energy: 1.3789138898886801
Energy: 1.30097793861948
Energy: 1.3789138898886801
Energy: 1.2968047455768326
Energy: 1.3386757087570116
Energy: 1.3162439766550293
Energy: 1.3386757087560384
Energy: 1.2968047455768326
Energy: 1.3386757087560384
Energy: 1.3218443999146945
Energy: 1.3901553043282626
Energy: 1.3366670949101704
Energy: 1.3901553043272892
Energy: 1.3218443999146945
Energy: 1.3901553043272892
Energy: 1.3136103454943568
Energy: 1.4979035831573364
Energy: 1.2872143662860982
Energy: 1.4979035831573364
Energy: 1.3136103454953305
Energy: 1.4979035831573364
Energy: 1.2876902487029416
Energy: 1.428529110416031
Energy: 1.3031323074870758
Energy: 1.4285291104150577
Energy: 1.2876902487029416
Energy: 1.4285291104150577
Energy: 1.3133357572527806
Energy: 1.47209481776754
Energy: 1.3334313060932517
Energy: 1.47209481776754
Energy: 1.3133357572527806
Energy: 1.4720948177655933
Energy: 1.3135928540794162
Energy: 1.4510313987005883
Energy: 1.3310160927650423
Energy: 1.451031398696695
Energy: 1.3135928540794162
Energy: 1.4510313986986416
Energy: 1.3080234477061627
Energy: 1.4295422333338124
Energy: 1.4259391558468477
Energy: 1.4295422333338124
Energy: 1.3080234477061627
Energy: 1.4295422333338124
Energy: 1.3215516445613076
Energy: 1.4571348174734482
Energy: 1.3337719309588374
Energy: 1.4571348174734482
Energy: 1.3215516445613076
Energy: 1.4571348174734482
Energy: 1.3229962536091937
Energy: 1.3341471243812202
Energy: 1.272794612174392
Energy: 1.3341471243812202
Energy: 1.3229962536091937
Energy: 1.3341471243812202
Energy: 1.2892484756332374
Energy: 1.3380554578102042
Energy: 1.3043744182404193
Energy: 1.3380554578102042
Energy: 1.2892484756332374
Energy: 1.3380554578102042
Energy: 1.2992745970546875
Energy: 1.449129424581444
Energy: 1.2708298357036654
Energy: 1.449129424581444
Energy: 1.2992745970537143
Energy: 1.449129424581444
Energy: 1.2894666364835532
Energy: 1.3380811742475172
Energy: 1.3044695054920359
Energy: 1.3380811742475172
Energy: 1.2894666364825798
Energy: 1.3380811742475172
Energy: 1.322991584900041
Energy: 1.3903983422576742
Energy: 1.3031684937966126
Energy: 1.3903983422576742
Energy: 1.3229915849010145
Energy: 1.3903983422576742
Energy: 1.3215594352884246
Energy: 1.4323370028941653
Energy: 1.287373651716811
Energy: 1.4323370028941653
Energy: 1.321559435289398
Energy: 1.4323370028941653
Energy: 1.3109330095177123
Energy: 1.3957068044344398
Energy: 1.4269395796580815
Energy: 1.3957068044344398
Energy: 1.3109330095206326
Energy: 1.3957068044344398
Energy: 1.3848574403270058
Energy: 1.476226985402833
Energy: 1.2877159556062072
Energy: 1.4762269854884653
Energy: 1.3848574403270058
Energy: 1.4762269853979664
Energy: 1.342583459879388
Energy: 1.461521747065735
Energy: 1.2874958753992651
Energy: 1.461521747062815
Energy: 1.342583459879388
Energy: 1.461521747065735
Energy: 1.392961302946443
Energy: 1.4294527915861213
Energy: 1.2869768447832532
Energy: 1.4294527915861213
Energy: 1.392961302946443
Energy: 1.4294527915861213
Energy: 1.3222312393745295
Energy: 1.4993802828060852
Energy: 1.2884218166663468
Energy: 1.4993802828060852
Energy: 1.3222312393755027
Energy: 1.4993802828060852
Energy: 1.3221030105402263
Energy: 1.40389765677707
Energy: 1.3338070972688296
Energy: 1.40389765677707
Energy: 1.3221030105402263
Energy: 1.40389765677707
Energy: 1.2956978761776892
Energy: 1.3384703204516368
Energy: 1.3159396911100085
Energy: 1.3384703204516368
Energy: 1.295697876176716
Energy: 1.3384703204516368
Energy: 1.3012154926429094
Energy: 1.3715172051103988
Energy: 1.310374404145827
Energy: 1.3715172051094255
Energy: 1.301215492641936
Energy: 1.3715172051103988

minimum gb energy = 1.2708298357036654 eV
minimum distance =  2.20885195263314 Angstroms
sigma value = 101


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

Energy: 1.4628665600140902
Energy: 1.342670457355889
Energy: 1.4224063975977506
Energy: 1.342670457354178
Energy: 1.4628665600132345
Energy: 1.342670457355889
Energy: 1.2469087316436815
Energy: 1.3456850647554788
Energy: 1.2484461992434255
Energy: 1.3456850647589014
Energy: 1.2469087316419702
Energy: 1.345685064781964
Energy: 1.2313304998641716
Energy: 1.353604837887576
Energy: 1.2468647626559843
Energy: 1.3536048378867203
Energy: 1.2313304998641716
Energy: 1.3536048378867203
Energy: 1.264797267274206
Energy: 1.3100125258211417
Energy: 1.2550034573352817
Energy: 1.310012525822853
Energy: 1.2647972672759171
Energy: 1.3428541379220436
Energy: 1.220229458427318
Energy: 1.2931445843830822
Energy: 1.2315530911716264
Energy: 1.2931445843865048
Energy: 1.220229458427318
Energy: 1.2931445843856493
Energy: 1.2341418485085138
Energy: 1.3585708873264792
Energy: 1.219394098062768
Energy: 1.3585708873264792
Energy: 1.2341418485085138
Energy: 1.3585708873264792
Energy: 1.243339304334313
Energy: 1.3685405414763805
Energy: 1.220093420316741
Energy: 1.368540541396847
Energy: 1.243339304334313
Energy: 1.3685405414182372
Energy: 1.2309172066661889
Energy: 1.3485521233919517
Energy: 1.2310135021621333
Energy: 1.3243235481873612
Energy: 1.2309172066661889
Energy: 1.3678536786190505
Energy: 1.219907550056422
Energy: 1.3331906529374737
Energy: 1.2315959325492079
Energy: 1.3331906529383295
Energy: 1.219907550056422
Energy: 1.3331906529374737
Energy: 1.2194775420165813
Energy: 1.3210015198620328
Energy: 1.2201806592529942
Energy: 1.3210015198654554
Energy: 1.2194775420165813
Energy: 1.3210015198663108
Energy: 1.2792377240936452
Energy: 1.3130997860474418
Energy: 1.299467486369908
Energy: 1.3130997860465858
Energy: 1.2792377240910786
Energy: 1.3130997860414524
Energy: 1.2481762812893145
Energy: 1.3527097827482277
Energy: 1.2193745044389086
Energy: 1.3527097827602061
Energy: 1.2481762812893145
Energy: 1.3527097827439496
Energy: 1.2740285362767714
Energy: 1.3540368944357415
Energy: 1.2642357625991107
Energy: 1.3540368944348857
Energy: 1.2740285362827608
Energy: 1.3540368944357415
Energy: 1.2711726111424455
Energy: 1.249707396981396
Energy: 1.246390743506255
Energy: 1.2835548736947624
Energy: 1.2711726111424455
Energy: 1.2497073970019308
Energy: 1.2194413563870425
Energy: 1.536343664889008
Energy: 1.2470147726338814
Energy: 1.5363436648881528
Energy: 1.219441356387898
Energy: 1.536343664889008
Energy: 1.2915444593405816
Energy: 1.3538107070682854
Energy: 1.2304194715207222
Energy: 1.3538107070682854
Energy: 1.2915444593405816
Energy: 1.3538107070674297
Energy: 1.2204070045598356
Energy: 1.362099447772978
Energy: 1.2644730558376582
Energy: 1.362099447784101
Energy: 1.2204070045598356
Energy: 1.3620994477849566
Energy: 1.2310939817279627
Energy: 1.2935477589071456
Energy: 1.2200809067313978
Energy: 1.293547758905434
Energy: 1.2310939817279627
Energy: 1.2935477589062898
Energy: 1.2295204621459805
Energy: 1.3199034355167605
Energy: 1.23313108177536
Energy: 1.3199034355176158
Energy: 1.229520462145125
Energy: 1.3199034355176158
Energy: 1.2201488826137956
Energy: 1.4393764258306754
Energy: 1.2195640488544413
Energy: 1.4393764258306754
Energy: 1.2201488826137956
Energy: 1.4393764258306754
Energy: 1.2420408409334445
Energy: 1.2927856534081208
Energy: 1.2318041158785835
Energy: 1.2927856534089763
Energy: 1.2420408409334445
Energy: 1.2927856534081208
Energy: 1.2195908413188334
Energy: 1.3189778544102349
Energy: 1.2194376443302064
Energy: 1.3189778543914112
Energy: 1.219590841317978
Energy: 1.3189778543734823
Energy: 1.2435228056995582
Energy: 1.3203699285306365
Energy: 1.2199175933950426
Energy: 1.3203699285306365
Energy: 1.2435228056995582
Energy: 1.3203699285306365
Energy: 1.264242868932791
Energy: 1.3656398890782533
Energy: 1.2783077770246427
Energy: 1.3656398890782533
Energy: 1.264242868934502
Energy: 1.3656398890782533
Energy: 1.220185093426701
Energy: 1.4656276172174119
Energy: 1.2195595504976775
Energy: 1.4656276172199396
Energy: 1.220185093426701
Energy: 1.4656276172182285
Energy: 1.2455275917069542
Energy: 1.3534629931539204
Energy: 1.2908804171549688
Energy: 1.3534629931539204
Energy: 1.2455275917060986
Energy: 1.3534629931564872
Energy: 1.2465668798249114
Energy: 1.413021519453026
Energy: 1.2196552423451552
Energy: 1.4130215194547375
Energy: 1.2465668798249114
Energy: 1.413021519440192
Energy: 1.2476393222311857
Energy: 1.546788632324889
Energy: 1.2200494826615422
Energy: 1.546788632324889
Energy: 1.2476393222311857
Energy: 1.546788632324889
Energy: 1.3343337918866713
Energy: 1.4242352329665282
Energy: 1.3536803579087304
Energy: 1.4242352329665282
Energy: 1.3343337918866713
Energy: 1.4242352329665282
Energy: 1.2195461906062426
Energy: 1.393386524700056
Energy: 1.2200563996805576
Energy: 1.3933865247017674
Energy: 1.2195461906045313
Energy: 1.3933865246992005
Energy: 1.2640774955124936
Energy: 1.3633808150291649
Energy: 1.2322796388944677
Energy: 1.3633808150291649
Energy: 1.2640774955124936
Energy: 1.3633808150291649
Energy: 1.2454604559686036
Energy: 1.3198991576001775
Energy: 1.219365778266236
Energy: 1.319899157599322
Energy: 1.2454604559686036
Energy: 1.319899157601033
Energy: 1.22007258430896
Energy: 1.41907416149452
Energy: 1.2434772111564452
Energy: 1.41907416149452
Energy: 1.2200725843081044
Energy: 1.41907416149452

minimum gb energy = 1.219365778266236 eV
minimum distance =  2.23206061741316 Angstroms
sigma value = 33


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

Energy: 0.014075437028792399
Energy: 0.015235815405744441
Energy: 1.3783957508354934
Energy: 0.015235815405744441
Energy: 0.014075437028081495
Energy: 0.015235815405744441
Energy: 0.01417726174798516
Energy: 0.6657152809021668
Energy: 0.01417726174798516
Energy: 0.6657152809021668
Energy: 0.01417726174798516
Energy: 0.6657152809021668
Energy: 1.3931510092515171
Energy: 0.015235815405744441
Energy: 0.014075437028081495
Energy: 0.015235815405744441
Energy: 1.3931510092515171
Energy: 0.015235815405744441
Energy: 0.014177261747274255
Energy: 0.6657152809028778
Energy: 0.01417726174798516
Energy: 0.6657152809021668
Energy: 0.01417726174798516
Energy: 0.6657152809021668

minimum gb energy = 0.014075437028081495 eV
minimum distance =  2.41049177252133 Angstroms
sigma value = 1