Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865948021411896
cohesive_energy=4.290335425356015
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: -2.38418579101562e-07 eV

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

Energy: 0.014930829542538425
Energy: 0.01574412604026383
Energy: 0.015175244100975106
Energy: 1.9263380310288114
Energy: 0.015175244101889822
Energy: 0.015744126041413762
Energy: 0.01493082954277364
Energy: 0.01574412604002862
Energy: 0.015175244101889822
Energy: 1.5181727270316867
Energy: 0.7301377152456883
Energy: 0.01580257530302539
Energy: 0.017456606657529097
Energy: 0.7185618055717928
Energy: 0.017456606658679027
Energy: 0.015802575303495815
Energy: 0.7301377152459233
Energy: 0.0158025753032606
Energy: 0.0174566066582086
Energy: 0.7185618055720019
Energy: 0.014930829542538425
Energy: 0.015744126040943336
Energy: 0.015175244100739893
Energy: 1.9263380285564102
Energy: 0.015175244101654611
Energy: 0.015744126041648973
Energy: 0.01493082954277364
Energy: 0.015744126041413762
Energy: 0.015175244101445532
Energy: 1.5181727270307719
Energy: 0.7301377152456883
Energy: 0.01580257530281631
Energy: 0.017456606657764308
Energy: 0.7185618055720019
Energy: 0.017456606658443813
Energy: 0.015802575303495815
Energy: 0.7301377152459233
Energy: 0.015802575303495815
Energy: 0.01745660665891424
Energy: 0.7185618055715577
Energy: 0.01493082954298272
Energy: 0.015744126040499042
Energy: 0.015175244101445532
Energy: 1.518172727032157
Energy: 0.015175244101889822
Energy: 0.015744126041413762
Energy: 0.01493082954321793
Energy: 0.015744126041413762
Energy: 0.015175244101889822
Energy: 1.5181727270312422
Energy: 0.7301377152456883
Energy: 0.01580257530302539
Energy: 0.017456606657293885
Energy: 0.7185618055717928
Energy: 0.017456606658679027
Energy: 0.0158025753032606
Energy: 0.7301377152459233
Energy: 0.0158025753032606
Energy: 0.017456606658443813
Energy: 0.718561805572237
Energy: 0.014930829542538425
Energy: 0.015744126040943336
Energy: 0.01517524410050468
Energy: 1.518172727031007
Energy: 0.015175244101889822
Energy: 0.015744126041413762
Energy: 0.01493082954277364
Energy: 0.015744126040499042
Energy: 0.015175244101654611
Energy: 1.518172727031007

minimum gb energy = 0.014930829542538425 eV
minimum distance =  2.30705150135265 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.4918048672553847
Energy: 1.4772564243921442
Energy: 1.413073955525121
Energy: 1.4182366396037387
Energy: 1.4057928113066585
Energy: 1.5715375717818758
Energy: 1.491804867252568
Energy: 1.4772564243960877
Energy: 1.4130738462503167
Energy: 1.4981857018761227
Energy: 1.336683481830241
Energy: 1.3655392596774099
Energy: 1.387717638637363
Energy: 1.417610119302087
Energy: 1.3985163075832847
Energy: 1.498185701876686
Energy: 1.336683481828551
Energy: 1.3655392596779736
Energy: 1.387717638640743
Energy: 1.4475890977362043
Energy: 1.4014666860257594
Energy: 1.4018129228835545
Energy: 1.4238238065095425
Energy: 1.3998731552207546
Energy: 1.3459385451962895
Energy: 1.4475890977401475
Energy: 1.3932215326308253
Energy: 1.401812922882428
Energy: 1.4238238065061626
Energy: 1.3460534110665294
Energy: 1.420924850604871
Energy: 1.3559001169979275
Energy: 1.424483981863239
Energy: 1.3548422111208507
Energy: 1.4365357041670266
Energy: 1.346053411074365
Energy: 1.4209248506105043
Energy: 1.3559001170024345
Energy: 1.4244839818626756
Energy: 1.418278611313349
Energy: 1.3978130911270723
Energy: 1.3879854923031048
Energy: 1.3882691520925985
Energy: 1.3654002505649432
Energy: 1.3579457278833706
Energy: 1.4182786113065886
Energy: 1.3978130911281987
Energy: 1.3879854923047947
Energy: 1.3882691520903452
Energy: 1.3462274931311775
Energy: 1.409627117306233
Energy: 1.3984048253102033
Energy: 1.3642997714745173
Energy: 1.4125630415322794
Energy: 1.3909967427714205
Energy: 1.3483844616233538
Energy: 1.409627117306233
Energy: 1.3984048253045698
Energy: 1.3642997714733909
Energy: 1.42829473601248
Energy: 1.35595539823911
Energy: 1.4548828182756306
Energy: 1.4070036460436934
Energy: 1.3619354429273098
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Energy: 1.4282947360068468
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Energy: 1.4070036460504023
Energy: 1.3651737368725816
Energy: 1.4769965529976754
Energy: 1.4006588253936847
Energy: 1.3999895369971267
Energy: 1.4013432774951975
Energy: 1.4613024484391137
Energy: 1.365173736871455
Energy: 1.4769965529982385
Energy: 1.4002320295003123
Energy: 1.3999895370005069
Energy: 1.3384852958177575
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Energy: 1.4042186013102624
Energy: 1.3799645715519346
Energy: 1.3361849556048964
Energy: 1.5363053951081354
Energy: 1.3384852958244664
Energy: 1.364897494327521
Energy: 1.4042186013136422
Energy: 1.3799645715519346
Energy: 1.4107024996206925
Energy: 1.4598792329696557
Energy: 1.4961189095100063
Energy: 1.4580931342265573
Energy: 1.403509949273053
Energy: 1.5464826860003935
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Energy: 1.4961189095088796
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Energy: 1.3919520518061372
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Energy: 1.3779039636450072
Energy: 1.4079324094489347
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Energy: 1.408109791454197
Energy: 1.3547898598660268
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Energy: 1.3547898598665904
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Energy: 1.390503022067981
Energy: 1.3982819874662864
Energy: 1.4246337122180894
Energy: 1.3548865238929024
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Energy: 1.398670635944785
Energy: 1.4271374825522396
Energy: 1.3982819874600896
Energy: 1.424633712217526
Energy: 1.3548865238912124
Energy: 1.3720575179634984
Energy: 1.4086720517785773
Energy: 1.4088474892398772
Energy: 1.4071627788082375
Energy: 1.418992124252
Energy: 1.3931687109014241
Energy: 1.3411458359382284
Energy: 1.408672051779704
Energy: 1.4088474892404406
Energy: 1.4071627788048573
Energy: 1.4189921242570702
Energy: 1.4039518235537776
Energy: 1.425720757809403
Energy: 1.4174113731932558
Energy: 1.3510839487774084
Energy: 1.4222438909720485
Energy: 1.404107194656077
Energy: 1.403951823549271
Energy: 1.4257207578122195
Energy: 1.4174113731881857
Energy: 1.3510839487785353
Energy: 1.4386905041392575
Energy: 1.3413799522030148
Energy: 1.400060822131188
Energy: 1.4022848181136813
Energy: 1.5465359391581948
Energy: 1.403899821696172
Energy: 1.4386905041364408
Energy: 1.3413799522030148
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Energy: 1.3887797680229697
Energy: 1.425512442702358
Energy: 1.3458767036607686
Energy: 1.3647968107593536
Energy: 1.337299242432441
Energy: 1.5461855926440318
Energy: 1.4231611966633833
Energy: 1.4255124427085548
Energy: 1.3458767036590784
Energy: 1.364796810752593
Energy: 1.3372992424313142
Energy: 1.4087230718317867
Energy: 1.3554350630144445
Energy: 1.4541179864784481
Energy: 1.3465004851092026
Energy: 1.4613012031594717
Energy: 1.3885056241413445
Energy: 1.4087230718250268
Energy: 1.3554350630043044
Energy: 1.4541179864711244
Energy: 1.3465004851125828
Energy: 1.4068410478311315
Energy: 1.3909340557559329
Energy: 1.3559468847138774
Energy: 1.3874796338505104
Energy: 1.4453732105681003
Energy: 1.38797259390475
Energy: 1.4068410478277513
Energy: 1.3909340557559329
Energy: 1.3559468847211495
Energy: 1.3874796338510738
Energy: 1.3640325889866023
Energy: 1.3985172712848446
Energy: 1.3956241258663338
Energy: 1.35857084494167
Energy: 1.3909410441748908
Energy: 1.4091554355994194
Energy: 1.3640325889905458
Energy: 1.3985172712848446
Energy: 1.3956241258652073
Energy: 1.3466265683984486
Energy: 1.398274612706144
Energy: 1.395935624797385
Energy: 1.3979565544321468
Energy: 1.4182725166475123
Energy: 1.3625398232773651
Energy: 1.3792170813126419
Energy: 1.398274612701074
Energy: 1.3959356247968218
Energy: 1.3979565544315833
Energy: 1.4182725166430055
Energy: 1.4238830150886608
Energy: 1.3561691088445162
Energy: 1.3778587223301118
Energy: 1.3454659670894888
Energy: 1.417264734103983
Energy: 1.354628495869358
Energy: 1.4238830150886608
Energy: 1.35616910884508
Energy: 1.3778587223334915
Energy: 1.3454659670906157
Energy: 1.4222786699244216
Energy: 1.4018997143073721
Energy: 1.3862857339121373
Energy: 1.4476419198085817
Energy: 1.3553530683539528
Energy: 1.4477548200693748
Energy: 1.4222786699249852
Energy: 1.4018997143079357
Energy: 1.3862857339127006
Energy: 1.4476419198080184
Energy: 1.4054839470162166
Energy: 1.3650847167412585
Energy: 1.3368616205773707
Energy: 1.3829654389100154
Energy: 1.4027707726433556
Energy: 1.4173119768898947
Energy: 1.4054839470179066
Energy: 1.3650847167367517
Energy: 1.3368616205745538
Energy: 1.3829654389083255
Energy: 1.4135182380705569
Energy: 1.4550926706017053
Energy: 1.4035264497281406
Energy: 1.5326542208825182
Energy: 1.491804867254821
Energy: 1.4772564243943977
Energy: 1.4135182275586329
Energy: 1.4550926706000153
Energy: 1.4035264497298308
Energy: 1.5326542208797014
Energy: 1.38771763863849
Energy: 1.4176101192998336
Energy: 1.3985163075815947
Energy: 1.498185701876686
Energy: 1.3366834818279876
Energy: 1.3655392596796636
Energy: 1.3877176386396164
Energy: 1.4176101192998336
Energy: 1.3985163075844116
Energy: 1.4981857018795028
Energy: 1.4222786699176617
Energy: 1.3998731552173744
Energy: 1.3548613464128487
Energy: 1.4475890977373305
Energy: 1.3932215326296986
Energy: 1.4018129228784846
Energy: 1.422278669921605
Energy: 1.3998731552230077
Energy: 1.345938545191783
Energy: 1.4475890977384573
Energy: 1.4244839818621122
Energy: 1.3548422111253575
Energy: 1.4361337816533732
Energy: 1.3460534110749283
Energy: 1.4209248506009273
Energy: 1.3559001169962377
Energy: 1.424483981863239
Energy: 1.3548422111225409
Energy: 1.4361337816556268
Energy: 1.3460534110721118

minimum gb energy = 1.3361849556048964 eV
minimum distance =  2.24552963592225 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.689102778754496
Energy: 1.5782873743492145
Energy: 1.580471791425157
Energy: 1.5258253700236832
Energy: 1.5914760303170938
Energy: 1.6037619871269044
Energy: 1.6891027787561455
Energy: 1.5782873743481152
Energy: 1.5804717914290052
Energy: 1.4898017407645148
Energy: 1.4590869426547908
Energy: 1.419723689571872
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Energy: 1.5472304487316937
Energy: 1.495360653247458
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Energy: 1.4529252322204602
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Energy: 1.495498251539136
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Energy: 1.44567914654793
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Energy: 1.4619291249738235
Energy: 1.4397817857947788
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Energy: 1.4978210360075617
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Energy: 1.4134919494750073
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Energy: 1.4226787625991857
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Energy: 1.4745995794504716
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Energy: 1.5663830377705206
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Energy: 1.436656751865308
Energy: 1.5487525695627984
Energy: 1.461227271364875
Energy: 1.499028217632902
Energy: 1.4634417603896652
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minimum gb energy = 1.3986068335263977 eV
minimum distance =  2.24110279379352 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.502465004114214
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Energy: 1.497960865374834
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Energy: 1.3504116712391898
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Energy: 1.3504116712407401
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Energy: 1.4155577592702715
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Energy: 1.481441424074083
Energy: 1.415557759270892
Energy: 1.57531932269448
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Energy: 1.4244944212942696
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Energy: 1.6323419449675065
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Energy: 1.4564856368369692
Energy: 1.482829201144679
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Energy: 1.6142550829627886
Energy: 1.4308288751015013
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Energy: 1.456485636836659
Energy: 1.5037996572010255
Energy: 1.441565228913754
Energy: 1.431698206829737
Energy: 1.6290402340032846
Energy: 1.4282960683613868
Energy: 1.515712116854584
Energy: 1.4547756107344787
Energy: 1.4415652289140637
Energy: 1.4316982068315975
Energy: 1.6290402340026644
Energy: 1.4282960683626273
Energy: 1.620792591453807
Energy: 1.4795661321768758
Energy: 1.4191336454336476
Energy: 1.502160701163002
Energy: 1.5075308858782621
Energy: 1.45262213633054
Energy: 1.6207925914522565
Energy: 1.4795661321740847
Energy: 1.419133645428686
Energy: 1.5021607011617617
Energy: 1.4144403933267655
Energy: 1.4774062634694909
Energy: 1.595099205616943
Energy: 1.4895443873944276
Energy: 1.4734177272182094
Energy: 1.5287010805330137
Energy: 1.4144403933286265
Energy: 1.4774062634691807
Energy: 1.5950992056144622
Energy: 1.4895443873953582
Energy: 1.531825152784634
Energy: 1.4528618938611062
Energy: 1.50577083686473
Energy: 1.4474047027016603
Energy: 1.4539963777726574
Energy: 1.4815251113454586
Energy: 1.531825152784014
Energy: 1.4528618938611062
Energy: 1.5057708368644198
Energy: 1.4474047027041415
Energy: 1.4254998688191574
Energy: 1.4535014535006243
Energy: 1.463539854296035
Energy: 1.4283979503179447
Energy: 1.6418237624136174
Energy: 1.4091825666534257
Energy: 1.4254998688200875
Energy: 1.453501453499384
Energy: 1.4635398542951044
Energy: 1.4283979503179447
Energy: 1.4419261279730347
Energy: 1.5030878205426834
Energy: 1.4692611516715897
Energy: 1.4519428438015536
Energy: 1.4877434123195068
Energy: 1.4424152249113837
Energy: 1.4419261279748956
Energy: 1.503087820544544
Energy: 1.4692611516694187
Energy: 1.451942843802484
Energy: 1.5286732209616853
Energy: 1.4937354533775349
Energy: 1.4828660222234722
Energy: 1.4977345017463473
Energy: 1.4868001301242595
Energy: 1.6038508952467905
Energy: 1.5286732209598248
Energy: 1.4937354533769147
Energy: 1.4828660222219217
Energy: 1.4977345017482078

minimum gb energy = 1.3504116712391898 eV
minimum distance =  2.25404802793819 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.4565784731201716
Energy: 1.7277446218436587
Energy: 1.3471173589704741
Energy: 1.402848688665643
Energy: 1.3470165708236728
Energy: 1.727709278277407
Energy: 1.4565784731212363
Energy: 1.727744621842594
Energy: 1.3471173589694099
Energy: 1.439178214378361
Energy: 1.411383167053059
Energy: 1.4237555312691337
Energy: 1.3460432841576733
Energy: 1.435248251348094
Energy: 1.345277735377982
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Energy: 1.4237555312701982
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Energy: 1.435248251348094
Energy: 1.375736621361638
Energy: 1.5781749138130894
Energy: 1.437276140462146
Energy: 1.36936405820846
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Energy: 1.4028084998534645
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Energy: 1.416930043553744
Energy: 1.4220877645184002
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Energy: 1.3972276980838794
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Energy: 1.4480350395647412
Energy: 1.3692712669861717
Energy: 1.3695539507740266
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Energy: 1.3524524475882087
Energy: 1.4372692809977652
Energy: 1.4229706177969166
Energy: 1.4372006167295597
Energy: 1.3695539507718975
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Energy: 1.3524524475871438
Energy: 1.4372692809977652
Energy: 1.3662752570429133
Energy: 1.400176113430691
Energy: 1.4178460623378168
Energy: 1.422077730694113
Energy: 1.345984935653638
Energy: 1.4081305000011386
Energy: 1.3662752570429133
Energy: 1.400176113430691
Energy: 1.4178460623388813
Energy: 1.422077730694113
Energy: 1.4172475641336204
Energy: 1.3928186335362793
Energy: 1.43677254635458
Energy: 1.577790669372895
Energy: 1.4504042823417762
Energy: 1.3694314865726027
Energy: 1.4172475641336204
Energy: 1.3928186335373436
Energy: 1.4367725463535153
Energy: 1.577790669372895
Energy: 1.3692226591635566
Energy: 1.4284517992280719
Energy: 1.4359998929546856
Energy: 1.4044719052271257
Energy: 1.3453058938873166
Energy: 1.3698705286462778
Energy: 1.3692226591646213
Energy: 1.4284517992291366
Energy: 1.4359998929546856
Energy: 1.4044719052271257
Energy: 1.3693776969964246
Energy: 1.4372761404600167
Energy: 1.5781332652197946
Energy: 1.375744054528527
Energy: 1.4888305849006804
Energy: 1.4486831842891894
Energy: 1.3693776969953604
Energy: 1.437276140461081
Energy: 1.578133265221924
Energy: 1.375744054528527
Energy: 1.4352541365605005
Energy: 1.345791431496891
Energy: 1.4207661275969756
Energy: 1.4113887743591678
Energy: 1.3700421510589227
Energy: 1.345312230220715
Energy: 1.4352541365605005
Energy: 1.3457914314990203
Energy: 1.4207661275959107
Energy: 1.4113887743602325
Energy: 1.402848699097546
Energy: 1.3470165708247375
Energy: 1.7277092782763421
Energy: 1.4565784731201716
Energy: 1.7277446218447234
Energy: 1.3471173589704741
Energy: 1.4391782101387702
Energy: 1.3470165708247375
Energy: 1.7277092782763421
Energy: 1.4565784731212363

minimum gb energy = 1.345277735377982 eV
minimum distance =  2.25723219665176 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.5768473926833992
Energy: 1.4441689621424767
Energy: 1.2583619509719464
Energy: 1.4341309933751898
Energy: 1.2586484805836933
Energy: 1.3934356867823061
Energy: 1.5768473926780293
Energy: 1.4441689621445422
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Energy: 1.392216322566532
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Energy: 1.2675330605404995
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Energy: 1.3683195593404065
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Energy: 1.354583548768136
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Energy: 1.2797631850312687
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Energy: 1.2668742349908415
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Energy: 1.3920196792543693
Energy: 1.2797631850320947
Energy: 1.4236213109323403
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Energy: 1.2993629743041906
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Energy: 1.4494475453639024
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Energy: 1.4474727934646483
Energy: 1.3905096320475403
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Energy: 1.2588627567221475
Energy: 1.447416156924746
Energy: 1.24328271493716
Energy: 1.453635956523163
Energy: 1.25906069091435
Energy: 1.4457475470639185
Energy: 1.2664417898586553
Energy: 1.2665595165735075
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Energy: 1.453635956523989
Energy: 1.2590606909164155
Energy: 1.4457475470688752
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Energy: 1.3209407805125348
Energy: 1.422630688777535
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Energy: 1.4351404912302481
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Energy: 1.422630688772165
Energy: 1.2669939903128713
Energy: 1.35821227232295
Energy: 1.3597661956335092
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Energy: 1.2669492200159214
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Energy: 1.2785985871157988
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Energy: 1.2669492200155081
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Energy: 1.5258981461991192
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Energy: 1.4490585346022862
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Energy: 1.3719527102486953
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Energy: 1.5258981462007715
Energy: 1.2581553522010163
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Energy: 1.3592898195744079
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Energy: 1.391530159744003
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Energy: 1.4213483715882385
Energy: 1.3219474334975339
Energy: 1.3235846288856417
Energy: 1.3848783897169263
Energy: 1.2666020704490972
Energy: 1.2663280698261756
Energy: 1.4213483715820425
Energy: 1.321947433499599
Energy: 1.3235846288910118
Energy: 1.3848783897144479
Energy: 1.258884743870888
Energy: 1.3182689522145512
Energy: 1.3607655922176167
Energy: 1.2688993873982455
Energy: 1.2677923551118688
Energy: 1.432982163522404
Energy: 1.2588847438692357
Energy: 1.3182689522166164
Energy: 1.3607655922217476
Energy: 1.2688993874027896
Energy: 1.2590841002640614
Energy: 1.3815450277571693
Energy: 1.3640264040362793
Energy: 1.3547590464876187
Energy: 1.258127608267148
Energy: 1.528867057925214
Energy: 1.259084100268192
Energy: 1.3815450277567562
Energy: 1.3640264040362793
Energy: 1.3547590464888577
Energy: 1.2671190571977298
Energy: 1.3571182230909735
Energy: 1.3598799648222708
Energy: 1.3917977013176956
Energy: 1.2578937007292477
Energy: 1.4484445552119152
Energy: 1.267119057205578
Energy: 1.357118223098409
Energy: 1.3598799648202053
Energy: 1.3917977013181089
Energy: 1.2669804860835607
Energy: 1.3775619253920268
Energy: 1.3233774969230827
Energy: 1.3162607138332536
Energy: 1.451498103530152
Energy: 1.2639952422743141
Energy: 1.2669804860872782
Energy: 1.3775619253837654
Energy: 1.3233774969284524
Energy: 1.3162607138307754
Energy: 1.4324622116946573
Energy: 1.2589222399785935
Energy: 1.3573429443955527
Energy: 1.2862682625329454
Energy: 1.2692768425235057
Energy: 1.267222222540772
Energy: 1.4324622116954835
Energy: 1.258922239980659
Energy: 1.3573429443728335
Energy: 1.2862682625267492
Energy: 1.4587007867065376
Energy: 1.2585914954614712
Energy: 1.4113241228438733
Energy: 1.4126406100781208
Energy: 1.3913994733013548
Energy: 1.4610719194250612
Energy: 1.4587007867081898
Energy: 1.2585914954577535
Energy: 1.4113241231221678
Energy: 1.4126406100793603
Energy: 1.3989034817525723
Energy: 1.266910763892402
Energy: 1.4114386053261865
Energy: 1.3985671016635794
Energy: 1.3921064426463876
Energy: 1.281220220539937
Energy: 1.39890348175629
Energy: 1.2669107638895103
Energy: 1.4114386053274257
Energy: 1.3985671016639927

minimum gb energy = 1.2273068611854654 eV
minimum distance =  2.30562131544376 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.4791707730556012
Energy: 1.2898818089535766
Energy: 1.6263494708931823
Energy: 1.6536979462227281
Energy: 1.6264836911782565
Energy: 1.2902878161679538
Energy: 1.479170773030104
Energy: 1.289881808955538
Energy: 1.6263494708912207
Energy: 1.6536979462237087
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Energy: 1.5038450598681365
Energy: 1.3277940453154784
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Energy: 1.625409337353094
Energy: 1.5642020866357338
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Energy: 1.564202086634753
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Energy: 1.3462140218507084
Energy: 1.3278237886587279
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Energy: 1.3278237886606894
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Energy: 1.7298626627004121
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Energy: 1.3007618794532423
Energy: 1.6395969790852725
Energy: 1.2951216289780003
Energy: 1.62634947088975
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Energy: 1.6264303527947537
Energy: 1.3007618794522617
Energy: 1.639596979084292
Energy: 1.3464747143279208
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Energy: 1.653297001063119
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Energy: 1.3987128149773962
Energy: 1.6532970010611576
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Energy: 1.2902202211497649
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Energy: 1.5642020866323014
Energy: 1.6256938317686884
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Energy: 1.286438659778432
Energy: 1.2902202211487843
Energy: 1.3295923500725564
Energy: 1.2906173041757147
Energy: 1.3868859871367438
Energy: 1.4951299853426356
Energy: 1.3094791609534062
Energy: 1.34555042001091
Energy: 1.3295923500720659
Energy: 1.2906173041742437
Energy: 1.3868859871391954
Energy: 1.495129985343126
Energy: 1.553780134741761
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Energy: 1.3880769096186556
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Energy: 1.2905570032856095
Energy: 1.5537801347397995
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Energy: 1.3880769096171848
Energy: 1.3356234102874793
Energy: 1.3409057539307363
Energy: 1.2920970521652737
Energy: 1.499522032797252
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Energy: 1.4995220327977423
Energy: 1.421402060130001
Energy: 1.3537910051252438
Energy: 1.53584451426588
Energy: 1.2929864897028105
Energy: 1.3410671866173058
Energy: 1.3191804498138429
Energy: 1.4920681935875253
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Energy: 1.535844514268332
Energy: 1.2929864897028105
Energy: 1.3410671866177961
Energy: 1.316826308612003
Energy: 1.2902581592454854
Energy: 1.645089067455493
Energy: 1.596481824968138
Energy: 1.3539280261040807
Energy: 1.3278548922300766
Energy: 1.3168263086124934
Energy: 1.290258159250879
Energy: 1.6450890674589254
Energy: 1.5964818249686283
Energy: 1.5777106584529121
Energy: 1.2890704805874191
Energy: 1.3342384743543592
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Energy: 1.3456104314227848
Energy: 1.3093854073141025
Energy: 1.5777106584131952
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Energy: 1.3342384743558302
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Energy: 1.288587603798004
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Energy: 1.3091234942717032
Energy: 1.625409337350152
Energy: 1.5998845024030994
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Energy: 1.3863671836241807
Energy: 1.3092019801398194
Energy: 1.3458934287258992
Energy: 1.4791707730649175
Energy: 1.2898818089535766
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Energy: 1.290287816166973
Energy: 1.4791707730619754
Energy: 1.2898818089535766
Energy: 1.6263494708902402
Energy: 1.6536979462467543
Energy: 1.6774705677109454
Energy: 1.5038450598671558
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Energy: 1.6774705677114357
Energy: 1.5038450598681365
Energy: 1.3277940453140076
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Energy: 1.2902202211502554
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Energy: 1.6257351746872812
Energy: 1.5454344642222286
Energy: 1.3095000491455475
Energy: 1.290989084256901
Energy: 1.3296066733113128
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Energy: 1.343708927278048
Energy: 1.5454344642251707
Energy: 1.3095000491450572
Energy: 1.2909890842598428
Energy: 1.3296066733132743
Energy: 1.3356234102894406
Energy: 1.3275572852503879
Energy: 1.2905570032821772
Energy: 1.5537801347373479
Energy: 1.6444029989933082
Energy: 1.2905445236268092
Energy: 1.3356234102904212
Energy: 1.3275572852498974
Energy: 1.2905570032782545
Energy: 1.5537801347373479
Energy: 1.3080045906430169
Energy: 1.4919616843919963
Energy: 1.3148650414852374
Energy: 1.340905753925833
Energy: 1.2883938300135234
Energy: 1.5215357037685222
Energy: 1.4214020601349042
Energy: 1.49196168439739
Energy: 1.3148650414822953
Energy: 1.3409057539297558
Energy: 1.3410606406896373
Energy: 1.3191845660734423
Energy: 1.4924727256720174
Energy: 1.353791005125734
Energy: 1.3253883703702676
Energy: 1.2929864897013394
Energy: 1.3410606406915988
Energy: 1.3191845660778554
Energy: 1.4924727256715271
Energy: 1.3082167104777278
Energy: 1.5964818249686283
Energy: 1.3313517322121255
Energy: 1.3278022871835644
Energy: 1.2913844199804123
Energy: 1.388937983969994
Energy: 1.642162600109885
Energy: 1.596481824968138
Energy: 1.3313517322135964
Energy: 1.3278022871820934
Energy: 1.2913844199828637
Energy: 1.329578083191543
Energy: 1.3456104314227848
Energy: 1.3093854073155737
Energy: 1.5206694161258039
Energy: 1.386885783458579
Energy: 1.3342384743558302
Energy: 1.3295780831910526
Energy: 1.3456104314242556
Energy: 1.3093854073111608
Energy: 1.520669415921915
Energy: 1.6254093373496616
Energy: 1.5642020866352435
Energy: 1.3091846591384493
Energy: 1.286037773289728
Energy: 1.3120913772754057
Energy: 1.309282989526425
Energy: 1.6254093373481908
Energy: 1.5642020866352435
Energy: 1.3091846591413914
Energy: 1.2860377732862955
Energy: 1.3462140218536502
Energy: 1.3278237886577473
Energy: 1.502407486570431
Energy: 1.6532682811822839
Energy: 1.3987128149798478
Energy: 1.3092384569871676
Energy: 1.3462140218536502
Energy: 1.3278237886597084
Energy: 1.5024074865679793
Energy: 1.653268281183755

minimum gb energy = 1.2860377732862955 eV
minimum distance =  2.21754365984185 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.5298114917840417
Energy: 1.5482261689040866
Energy: 1.4016339573578798
Energy: 1.6033256650338428
Energy: 1.3959112598174823
Energy: 1.555155838504291
Energy: 1.5298114917870025
Energy: 1.5482261689040866
Energy: 1.401633957360033
Energy: 1.5825089946343862
Energy: 1.6133486887401658
Energy: 1.425692319050833
Energy: 1.3238774431487894
Energy: 1.4093616927163808
Energy: 1.3595264034685495
Energy: 1.3939034362541574
Energy: 1.6133486887425885
Energy: 1.4256923190521789
Energy: 1.3238774431504043
Energy: 1.4093616927193418
Energy: 1.4838216042302763
Energy: 1.331166052270718
Energy: 1.4126421002392537
Energy: 1.6234615614718946
Energy: 1.356999342517799
Energy: 1.3706972839591032
Energy: 1.4838216042265078
Energy: 1.3311660522742175
Energy: 1.4126421002492133
Energy: 1.6234615614686647
Energy: 1.4002854322032166
Energy: 1.3308925058394212
Energy: 1.3968107921964643
Energy: 1.322442593624638
Energy: 1.3740265338205062
Energy: 1.5866525482456593
Energy: 1.400285432200525
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Energy: 1.396810792199425
Energy: 1.3224425936302664
Energy: 1.3961738224021993
Energy: 1.3308416577019944
Energy: 1.4308666873456175
Energy: 1.6002788491211173
Energy: 1.3874523404608914
Energy: 1.3222043052587562
Energy: 1.3961738224008535
Energy: 1.3308416577036095
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Energy: 1.600278849119233
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Energy: 1.3707280827527584
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Energy: 1.370818054318035
Energy: 1.484055247503304
Energy: 1.332093347995721
Energy: 1.41729080290105
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Energy: 1.3923489434745027
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Energy: 1.3223497359984522
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Energy: 1.3223347221713375
Energy: 1.3950309263988678
Energy: 1.331939655063657
Energy: 1.447448914866053
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Energy: 1.3223347221683766
Energy: 1.3950309263956622
Energy: 1.3319396550609655
Energy: 1.3572641113425292
Energy: 1.3586390679535698
Energy: 1.543354435167316
Energy: 1.330306054509043
Energy: 1.384279485493324
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Energy: 1.3586390679519547
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Energy: 1.3303060545071588
Energy: 1.3577574460005708
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Energy: 1.3233266320047297
Energy: 1.4060176202466894
Energy: 1.6752346898756822
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Energy: 1.3577574460024548
Energy: 1.4127484823959973
Energy: 1.3233266320052677
Energy: 1.4060176202448298
Energy: 1.396126251864714
Energy: 1.4267158650764469
Energy: 1.3960354572459879
Energy: 1.5323202883391474
Energy: 1.466073800762991
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Energy: 1.3961262518676751
Energy: 1.42671586507537
Energy: 1.3960354572389893
Energy: 1.5323202883375322
Energy: 1.3233049700437904
Energy: 1.386060596491263
Energy: 1.3644048106457853
Energy: 1.3714535849593816
Energy: 1.347976711824038
Energy: 1.469537587841255
Energy: 1.323304970047559
Energy: 1.386060596494762
Energy: 1.3644048106447086
Energy: 1.3714535849642269
Energy: 1.3553691501157477
Energy: 1.624745394775127
Energy: 1.357263595597926
Energy: 1.3708867366162405
Energy: 1.3634807614142965
Energy: 1.3359557861739881
Energy: 1.3553691501135945
Energy: 1.6247453947732429
Energy: 1.3572635955987336
Energy: 1.3708867366159714
Energy: 1.3869957859426496
Energy: 1.514929194236015
Energy: 1.5841507807429116
Energy: 1.392862421583605
Energy: 1.5211618198455066
Energy: 1.33009807001525
Energy: 1.3869957859450723
Energy: 1.5149291942368226
Energy: 1.584150780746142
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Energy: 1.453446607156941
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Energy: 1.3711812544825597
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Energy: 1.6672871955307493
Energy: 1.370280840138304
Energy: 1.322166596616811
Energy: 1.5857642538075816
Energy: 1.3223539403137097

minimum gb energy = 1.3220956584318815 eV
minimum distance =  2.28582079774941 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.5064120699293198
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Energy: 1.4049490989778073
Energy: 1.403933144770809
Energy: 1.3239699463714647
Energy: 1.4693104534925276
Energy: 1.4092167661200339

minimum gb energy = 1.27109221221081 eV
minimum distance =  2.27357166633007 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.5180519259996446
Energy: 1.5156460864325807
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minimum gb energy = 1.4365145923452267 eV
minimum distance =  2.26587026760637 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.5197210092577034
Energy: 1.6228858453257058
Energy: 1.4434888431797503
Energy: 1.5755862270014878
Energy: 1.5298192980703917
Energy: 1.4990661521598891
Energy: 1.6639791525016918
Energy: 1.5716307953165032
Energy: 1.5139997226018187
Energy: 1.640181544841635
Energy: 1.5139658394328155
Energy: 1.5716778425298268
Energy: 1.6639791525008871
Energy: 1.5716307953165032
Energy: 1.5139997226018187
Energy: 1.5526049694144313
Energy: 1.4276147700563124
Energy: 1.6228362080879788
Energy: 1.519734776857498
Energy: 1.4990914043385626
Energy: 1.5297866229322417
Energy: 1.575565509315903
Energy: 1.4276147700563124
Energy: 1.6228362080887835
Energy: 1.5197347768579004
Energy: 1.4990914043373553
Energy: 1.5806495577664317
Energy: 1.5134234951059853
Energy: 1.5551451166569255
Energy: 1.5193741013702713
Energy: 1.51383373418589
Energy: 1.4370296683648478
Energy: 1.582900129803974
Energy: 1.5134234951063876
Energy: 1.5551451166577301
Energy: 1.5193741013690645
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Energy: 1.5135931038282247
Energy: 1.5257893128238245
Energy: 1.5872194407228157
Energy: 1.4726682258772859
Energy: 1.5245767387260634
Energy: 1.5354545751918323
Energy: 1.51359310382742
Energy: 1.5257893128246292
Energy: 1.587219440722011
Energy: 1.480516324659698
Energy: 1.635240580183267
Energy: 1.5582455022542325
Energy: 1.5088329373566958
Energy: 1.7118569851926615
Energy: 1.4522664647245611
Energy: 1.4805163246601003
Energy: 1.6352405801848766
Energy: 1.5582455022538302
Energy: 1.5088329373570983
Energy: 1.4795988177303356
Energy: 1.4938385889466335
Energy: 1.508747446388381
Energy: 1.509079189829975
Energy: 1.5130291561941887
Energy: 1.4995029608780288
Energy: 1.4795988177299333
Energy: 1.4938385889486088
Energy: 1.5087474463871737
Energy: 1.5090791898291704
Energy: 1.5251967696842816
Energy: 1.5029477801136655
Energy: 1.5162934132398331
Energy: 1.6060173829136446
Energy: 1.5183648838686925
Energy: 1.5894004706309497
Energy: 1.5251967696850866
Energy: 1.5029477801140678
Energy: 1.5162934132398331
Energy: 1.6060173829128397
Energy: 1.5245817951970133
Energy: 1.5472440828517182
Energy: 1.547248412412481
Energy: 1.5243970900398807
Energy: 1.4659727303332695
Energy: 1.4661990681088037
Energy: 1.524581795196611
Energy: 1.547244082852523
Energy: 1.5472484124132857
Energy: 1.5243970900394783
Energy: 1.606139603745007
Energy: 1.5163864573605796
Energy: 1.5031129281975844
Energy: 1.525216815813031
Energy: 1.5895519655997223
Energy: 1.5182338363519383
Energy: 1.6061396037462146
Energy: 1.5163864573597747
Energy: 1.5031129281967797
Energy: 1.5252168158134334
Energy: 1.508824989312749
Energy: 1.5087125725721633
Energy: 1.4936738045537008
Energy: 1.4796600381772151
Energy: 1.4995372060374752
Energy: 1.5130183923772833
Energy: 1.508824989311944
Energy: 1.508712572572968
Energy: 1.4936738045532985
Energy: 1.4796600381768126
Energy: 1.5087038952253353
Energy: 1.5582094348373627
Energy: 1.6352405801812553
Energy: 1.480796067522033
Energy: 1.4522948684872958
Energy: 1.711856985193064
Energy: 1.508703895224933
Energy: 1.558209434836558
Energy: 1.635240580180048
Energy: 1.4807960675228378
Energy: 1.5869589999049334
Energy: 1.5257735780814197
Energy: 1.5139980638457526
Energy: 1.5355173175737749
Energy: 1.5245100268483938
Energy: 1.4722587678940575
Energy: 1.5869589999049334
Energy: 1.5257735780814197
Energy: 1.5139980638437407
Energy: 1.5355173175721653

minimum gb energy = 1.4276147700555075 eV
minimum distance =  2.25150595284831 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.2239569880446854
Energy: 1.2631356601266521
Energy: 1.262946972448376
Energy: 1.5621582974452715
Energy: 1.2629521105421937
Energy: 1.3606743638596734
Energy: 1.2239569880454126
Energy: 1.2631356601266521
Energy: 1.262946972449103
Energy: 1.6088730790921972
Energy: 1.2627656201409267
Energy: 1.843509207751441
Energy: 1.2630031620891757
Energy: 1.6192319978311325
Energy: 1.733091809732205
Energy: 1.2645669975581206
Energy: 1.2627656201409267
Energy: 1.6163807778836015
Energy: 1.2630031620891757
Energy: 1.6192319978311325
Energy: 1.3021637914425641
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619273258
Energy: 1.290526106650385
Energy: 1.263348317469061
Energy: 1.302163791441837
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619265983
Energy: 1.7080144881077797
Energy: 1.2224497738077178
Energy: 1.3020404912617776
Energy: 1.263335815645147
Energy: 1.2905330231917385
Energy: 1.2223808649393513
Energy: 1.7080144881070523
Energy: 1.2224497738091724
Energy: 1.302040491260323
Energy: 1.263335815645147
Energy: 1.2630066587631315
Energy: 1.833202286810706
Energy: 1.2627658173562286
Energy: 1.2645255669180013
Energy: 1.7328847832896355
Energy: 1.5026834734154741
Energy: 1.2630066587631315
Energy: 1.9004646871685682
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Energy: 1.2645255669194557
Energy: 1.2629521105421937
Energy: 1.3606743638596734
Energy: 1.2239569880446854
Energy: 1.2631356601273793
Energy: 1.262946972448376
Energy: 1.6089961760988498
Energy: 1.2629521105421937
Energy: 1.2630727203419634
Energy: 1.2239569880454126
Energy: 1.2631356601273793
Energy: 1.733091809731478
Energy: 1.2645669975588476
Energy: 1.2627656201409267
Energy: 1.8948704683272293
Energy: 1.2630031620884483
Energy: 1.6192319978311325
Energy: 1.733091809732205
Energy: 1.2645669975581206
Energy: 1.2627656201409267
Energy: 1.7698202844857485
Energy: 1.290526106650385
Energy: 1.2633483174683338
Energy: 1.3021637914411095
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619265983
Energy: 1.290526106650385
Energy: 1.2633483174683338
Energy: 1.302163791441837
Energy: 1.2224687171323503
Energy: 1.2905330231910115
Energy: 1.2223808649393513
Energy: 1.7080144881085069
Energy: 1.2224497738077178
Energy: 1.3020404912617776
Energy: 1.263335815645147
Energy: 1.290533023192466
Energy: 1.2223808649393513
Energy: 1.7080144881070523
Energy: 1.2224497738091724
Energy: 1.7328847832903629
Energy: 1.5533625142626926
Energy: 1.2630066587631315
Energy: 1.6398379425542928
Energy: 1.2627658173562286
Energy: 1.2645255669180013
Energy: 1.7328847832896355
Energy: 1.5026834734162016
Energy: 1.2630066587631315
Energy: 1.75737612842303
Energy: 1.262946972449103
Energy: 1.6418632610487514
Energy: 1.2629521105421937
Energy: 1.3606743638596734
Energy: 1.2239569880446854
Energy: 1.2631356601266521
Energy: 1.262946972448376
Energy: 1.6852389484023023
Energy: 1.2629521105421937
Energy: 1.2630727203412362
Energy: 1.2630031620891757
Energy: 1.359869774881361
Energy: 1.733091809732205
Energy: 1.2645669975581206
Energy: 1.2627656201409267
Energy: 1.8948704683279565
Energy: 1.2630031620884483
Energy: 1.6192319978311325
Energy: 1.733091809732205
Energy: 1.2645669975588476
Energy: 1.707968034495398
Energy: 1.2223405619265983
Energy: 1.290526106650385
Energy: 1.2633483174683338
Energy: 1.3021637914403825
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619273258
Energy: 1.290526106650385
Energy: 1.263348317469061
Energy: 1.3020404912610506
Energy: 1.263335815645147
Energy: 1.2905330231910115
Energy: 1.2223808649386239
Energy: 1.7080144881077797
Energy: 1.2224497738084452
Energy: 1.3020404912610506
Energy: 1.263335815645147
Energy: 1.2905330231917385
Energy: 1.2223808649393513
Energy: 1.262765817356956
Energy: 1.2645255669187287
Energy: 1.7328847832903629
Energy: 1.502683473414747
Energy: 1.2630066587631315
Energy: 1.6148685963941236
Energy: 1.262765817356956
Energy: 1.2645255669180013
Energy: 1.7328847832896355
Energy: 1.5026834734154741
Energy: 1.2239569880454126
Energy: 1.2631356601266521
Energy: 1.262946972449103
Energy: 1.6412325502975205
Energy: 1.2629521105421937
Energy: 1.2630727203412362
Energy: 1.2239569880446854
Energy: 1.2631356601273793
Energy: 1.262946972448376
Energy: 1.6398174364505218
Energy: 1.2627656201401996
Energy: 1.9883688722919277
Energy: 1.2630031620891757
Energy: 1.6192319978311325
Energy: 1.733091809732205
Energy: 1.2645669975581206
Energy: 1.2627656201401996
Energy: 1.961050784271572
Energy: 1.2630031620884483
Energy: 1.6192319978311325
Energy: 1.3021637914432915
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619273258
Energy: 1.290526106650385
Energy: 1.2633483174676063
Energy: 1.3021637914403825
Energy: 1.2224687171323503
Energy: 1.707968034495398
Energy: 1.2223405619258711
Energy: 1.7080144881070523
Energy: 1.2224497738084452
Energy: 1.3020404912610506
Energy: 1.263335815645147
Energy: 1.2905330231910115
Energy: 1.2223808649393513
Energy: 1.7080144881077797
Energy: 1.2224497738077178
Energy: 1.302040491260323
Energy: 1.263335815645147
Energy: 1.2630066587631315
Energy: 1.6148685961469478
Energy: 1.262765817356956
Energy: 1.2645255669187287
Energy: 1.7328847832903629
Energy: 1.5026834734154741
Energy: 1.2630066587631315
Energy: 1.614868596306156
Energy: 1.262765817356956
Energy: 1.2645255669180013
Energy: 1.2629521105421937
Energy: 1.2630727203405088
Energy: 1.2239569880454126
Energy: 1.2631356601273793
Energy: 1.262946972449103
Energy: 1.6412325502975205
Energy: 1.2629521105421937
Energy: 1.2630727203412362
Energy: 1.2239569880446854
Energy: 1.2631356601281065
Energy: 1.733091809732205
Energy: 1.2645669975588476
Energy: 1.2627656201401996
Energy: 1.9883688722919277
Energy: 1.2630031620891757
Energy: 1.6192319978311325
Energy: 1.733091809732205
Energy: 1.2645669975581206
Energy: 1.2627656201401996
Energy: 1.9883688722926547

minimum gb energy = 1.2223405619258711 eV
minimum distance =  2.30932503781192 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.6988706317318416
Energy: 1.47117648966986
Energy: 1.4649887128721402
Energy: 1.4913197644210217
Energy: 1.4650172511799293
Energy: 1.4712005417037697
Energy: 1.698870631730523
Energy: 1.47117648966986
Energy: 1.4649887128744477
Energy: 1.491319764420692
Energy: 1.504415826600568
Energy: 1.5466778293220194
Energy: 1.462163913546304
Energy: 1.4755886244563539
Energy: 1.497650879683055
Energy: 1.45753288547125
Energy: 1.504415826601557
Energy: 1.5466778293220194
Energy: 1.462163913546304
Energy: 1.475588624457013
Energy: 1.4781043386330173
Energy: 1.4436018711859895
Energy: 1.5311629486453346
Energy: 1.4705384663219132
Energy: 1.4795474542427418
Energy: 1.5589551167494837
Energy: 1.4781043386343362
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Energy: 1.5311629486453346
Energy: 1.4705384663219132
Energy: 1.5684777693336358
Energy: 1.4429451643728257
Energy: 1.4894846900324443
Energy: 1.4726636288969421
Energy: 1.5123632032869971
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Energy: 1.489484690031785
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Energy: 1.5427955457351779
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Energy: 1.4677558986811656
Energy: 1.5226035384800904
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Energy: 1.445905753025522
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Energy: 1.5226035384807497
Energy: 1.5711400759845133
Energy: 1.4654596754284184
Energy: 1.4987734569407172
Energy: 1.5075895893079627
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Energy: 1.575058542881358
Energy: 1.4621597108278017
Energy: 1.4802126124726274
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Energy: 1.5075895893089517
Energy: 1.4455333550473146
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Energy: 1.4603181559713205
Energy: 1.5222096770434956
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Energy: 1.5464689150297202
Energy: 1.4672364204863728
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Energy: 1.4770290792584897
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Energy: 1.5570261901610767
Energy: 1.439860457134646
Energy: 1.4933355934571038
Energy: 1.4554239345284594
Energy: 1.4770290792588192
Energy: 1.4618704147476513
Energy: 1.557026190161736
Energy: 1.4398604571356348
Energy: 1.540931177726384
Energy: 1.461293986254623
Energy: 1.5662137216668872
Energy: 1.4616789025236845
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Energy: 1.4739410504379649
Energy: 1.5861151131564408
Energy: 1.4428274852998597
Energy: 1.507282233353293
Energy: 1.4945961354065627
Energy: 1.4791613274354072
Energy: 1.4739410504376351
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Energy: 1.655615384405709
Energy: 1.466112462240514
Energy: 1.501007177776812
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Energy: 1.4816438529063645
Energy: 1.470350318461326
Energy: 1.6556153844070278
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Energy: 1.5010071777774712
Energy: 1.4262029119085213
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Energy: 1.497662185746863
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Energy: 1.5436068105929832
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Energy: 1.5009720054162985
Energy: 1.470945439330197
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Energy: 1.5091400865182323
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Energy: 1.5091400865175728
Energy: 1.4622387000277353
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Energy: 1.4622387000274055
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Energy: 1.472891493583446
Energy: 1.4629592083001195
Energy: 1.4953707285271094
Energy: 1.4301623031101154
Energy: 1.4954569827374629
Energy: 1.398262356923202
Energy: 1.5162753075968476
Energy: 1.4629592083011085
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Energy: 1.4301623031101154
Energy: 1.4954569827351554
Energy: 1.5670880772773603
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Energy: 1.4793670283116598
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Energy: 1.51916163075685
Energy: 1.4757671013451656
Energy: 1.5010617894454155
Energy: 1.4744753989443868
Energy: 1.577816776873523
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Energy: 1.5191616307558613
Energy: 1.4757671013438471
Energy: 1.5010617894460747
Energy: 1.4744753989447164
Energy: 1.3993435899527245
Energy: 1.5032403089924493
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Energy: 1.4475146090786455
Energy: 1.458770484333564
Energy: 1.5724972836736713
Energy: 1.3993435899523947
Energy: 1.5032403089914603
Energy: 1.4553699058223544
Energy: 1.4475146090793047
Energy: 1.6190036138982056
Energy: 1.468901030164614
Energy: 1.4707071051942655
Energy: 1.5277718280243449
Energy: 1.4595427702357848
Energy: 1.496757709778934
Energy: 1.6190036138982056
Energy: 1.4689010301649437
Energy: 1.4707071051932763
Energy: 1.527771828025004
Energy: 1.3994163177509826
Energy: 1.5834614577723807
Energy: 1.4789981625757433
Energy: 1.4678441359553696
Energy: 1.5888019594618303
Energy: 1.4852476251960052
Energy: 1.3994163177509826
Energy: 1.5834614577730401
Energy: 1.4789981625767326
Energy: 1.4678441359540508
Energy: 1.4946121687243996
Energy: 1.460046657784398
Energy: 1.4427720588344413
Energy: 1.484129836817277
Energy: 1.4622122018938675
Energy: 1.6244656013552539
Energy: 1.4946121687247294
Energy: 1.4600466577837388
Energy: 1.4427720588456503
Energy: 1.4841298368176068
Energy: 1.5108240874166075
Energy: 1.4590124568517546
Energy: 1.4731311292129863
Energy: 1.4166930419693922
Energy: 1.4888590382162952
Energy: 1.4693452481706009
Energy: 1.5108240874159478
Energy: 1.4590124568501064
Energy: 1.4731311292126568
Energy: 1.4166930419693922
Energy: 1.405102334125719
Energy: 1.572058888358323
Energy: 1.4690371574391454
Energy: 1.4937020035790727
Energy: 1.5159574278442434
Energy: 1.51438240485154
Energy: 1.4051023341263784
Energy: 1.5720588883570046
Energy: 1.4690371574404641
Energy: 1.4937020035787432
Energy: 1.4045359625958571
Energy: 1.5430895995995033
Energy: 1.5011558553932827
Energy: 1.49324135315102
Energy: 1.4584743528384672
Energy: 1.5085178336780298
Energy: 1.4045359625948681
Energy: 1.5430895996008223
Energy: 1.5011558553926234
Energy: 1.4932413531513495
Energy: 1.4874999197896697
Energy: 1.39700455867924
Energy: 1.508361036081285
Energy: 1.4150686775076293
Energy: 1.4856519281414753
Energy: 1.4599110925792669
Energy: 1.4874999197913181
Energy: 1.3970045586789102
Energy: 1.5083610360809552
Energy: 1.415068677505981
Energy: 1.4597402782929465
Energy: 1.5960163430038958
Energy: 1.4630685871666873
Energy: 1.5069049523369475
Energy: 1.5270037116315736
Energy: 1.4593147248773466
Energy: 1.4597402782932762
Energy: 1.5960163430042256
Energy: 1.463068587167017
Energy: 1.5069049523362883
Energy: 1.440971104568979
Energy: 1.4950755119836132
Energy: 1.5859015843009252
Energy: 1.479402182108106
Energy: 1.4946572024923557
Energy: 1.5835541975316134
Energy: 1.4409711045670008
Energy: 1.4950755119822945
Energy: 1.5859015843019142
Energy: 1.4794021821097545
Energy: 1.5911417732884547
Energy: 1.4767341275265111
Energy: 1.4618168872148016
Energy: 1.6304655334074778
Energy: 1.4689748653500967
Energy: 1.4689841179217582
Energy: 1.5911417732877955
Energy: 1.4767341275258519
Energy: 1.4618168872138129
Energy: 1.6304655334071483
Energy: 1.4697405098070304
Energy: 1.5303921793623805
Energy: 1.4615211828583534
Energy: 1.4474232166005387
Energy: 1.4530678047083125
Energy: 1.4795246202477117
Energy: 1.4697405098063712
Energy: 1.530392179362051
Energy: 1.461521182857694
Energy: 1.4474232166008685
Energy: 1.491258183509721
Energy: 1.4455427951027673
Energy: 1.5540921708540614
Energy: 1.4687639932104282
Energy: 1.5023331896108343
Energy: 1.4666927378055523
Energy: 1.4912581835090617
Energy: 1.4455427951030968
Energy: 1.554092170853402
Energy: 1.4687639932110874
Energy: 1.5265153329217651
Energy: 1.3987922764995553
Energy: 1.613177006338116
Energy: 1.4987818089845515
Energy: 1.4784355113936702
Energy: 1.460039888609442
Energy: 1.5265153329224244
Energy: 1.3987922765012035
Energy: 1.6131770063374564
Energy: 1.4987818089861997
Energy: 1.4605421859199605
Energy: 1.490560128757241
Energy: 1.39885550614881
Energy: 1.433603258442138
Energy: 1.4320979976346213
Energy: 1.4928985777162775
Energy: 1.4605421859202903
Energy: 1.490560128755922
Energy: 1.3988555061491397
Energy: 1.4336032584414788
Energy: 1.463047649985647
Energy: 1.575354612172671
Energy: 1.4492687307113048
Energy: 1.4938818907415863
Energy: 1.467276549146634
Energy: 1.5026831694720244
Energy: 1.4630476499859766
Energy: 1.5753546121730004
Energy: 1.449268730711964
Energy: 1.4938818907425753
Energy: 1.5180497418526742
Energy: 1.4585160210075727
Energy: 1.5729034103098352
Energy: 1.5647461743497453
Energy: 1.471091760310718
Energy: 1.4555713034206283
Energy: 1.518049741853004
Energy: 1.4585160210075727
Energy: 1.5729034103095054
Energy: 1.5647461743497453
Energy: 1.6485059097279615
Energy: 1.5438778530950323
Energy: 1.4795439051377146
Energy: 1.4613765087768014
Energy: 1.636294123447564
Energy: 1.4686722684526559
Energy: 1.6485059097286208
Energy: 1.543877853094373
Energy: 1.4795439051377146
Energy: 1.4613765087761421
Energy: 1.481653772614244
Energy: 1.479431386627436
Energy: 1.4971451575509094
Energy: 1.441714300999077
Energy: 1.5844800396942107
Energy: 1.4454903364535756
Energy: 1.4816537726139143
Energy: 1.4794313866280953
Energy: 1.4971451575502501
Energy: 1.441714300997758
Energy: 1.4732159045749527
Energy: 1.4624968160572607
Energy: 1.4639096580185393
Energy: 1.58107431081613
Energy: 1.4640787928995247
Energy: 1.521390244118688
Energy: 1.4732159045766011
Energy: 1.4624968160563017
Energy: 1.463909658018869
Energy: 1.5810743108141523
Energy: 1.4171879126974343
Energy: 1.4503345952894584
Energy: 1.4412395058393979
Energy: 1.4811335596991597
Energy: 1.460874718395447
Energy: 1.4783924227585228
Energy: 1.4171879126984233
Energy: 1.4503345952907771
Energy: 1.4412395058393979
Energy: 1.481133559698171
Energy: 1.4931070049780322
Energy: 1.5010481733938352
Energy: 1.575324749613864
Energy: 1.4047238173941206
Energy: 1.4749062084078894
Energy: 1.415311123972449
Energy: 1.493107004979351
Energy: 1.5010481733951537
Energy: 1.5753247496122158
Energy: 1.404723817393791

minimum gb energy = 1.3970045586789102 eV
minimum distance =  2.29844539953872 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.6020950627379111
Energy: 1.6433852670090177
Energy: 1.4558778537104362
Energy: 1.5416228361415703
Energy: 1.455960966179359
Energy: 1.5549109614919407
Energy: 1.602095062735509
Energy: 1.6433852670102185
Energy: 1.4558778537104362
Energy: 1.5416228361715423
Energy: 1.4941929285706124
Energy: 1.6363206447691359
Energy: 1.452884177946912
Energy: 1.4525639103489096
Energy: 1.554986352488002
Energy: 1.4914948820890952
Energy: 1.494192928569411
Energy: 1.6363206447655327
Energy: 1.4528841779493142
Energy: 1.4525639103489096
Energy: 1.4276467429696644
Energy: 1.4406630201807706
Energy: 1.468153687946532
Energy: 1.409371235976171
Energy: 1.5068118049120804
Energy: 1.5651494673053525
Energy: 1.4276467429720667
Energy: 1.4406630201783681
Energy: 1.468153687946532
Energy: 1.4093712359737691
Energy: 1.5406840554693553
Energy: 1.4393280520584246
Energy: 1.4535888668308397
Energy: 1.4588131345817084
Energy: 1.4531813331154626
Energy: 1.5192911490554275
Energy: 1.5406840554741599
Energy: 1.4393280520572236
Energy: 1.4535888668344428
Energy: 1.4588131345853115
Energy: 1.4231344418643073
Energy: 1.5320720634741838
Energy: 1.4660201651381282
Energy: 1.5649900965590293
Energy: 1.450688416572691
Energy: 1.4514742506725764
Energy: 1.4231344418667093
Energy: 1.461363967519629
Energy: 1.466020165133324
Energy: 1.5649900965578283
Energy: 1.4225291177668127
Energy: 1.5630223887722512
Energy: 1.4836174339248045
Energy: 1.4388298209276127
Energy: 1.4517723876550157
Energy: 1.4719597937001951
Energy: 1.4225291177668127
Energy: 1.563022388769849
Energy: 1.4836174339212012
Energy: 1.4388298209264117
Energy: 1.566957256946264
Energy: 1.449146665231858
Energy: 1.5431699495218956
Energy: 1.464857293824632
Energy: 1.4551697359266969
Energy: 1.4405841249872366
Energy: 1.5669572569438617
Energy: 1.449146665231858
Energy: 1.5431699495218956
Energy: 1.4648572938198279
Energy: 1.4703212078209609
Energy: 1.4895783473521589
Energy: 1.4661200462277248
Energy: 1.4581076194227873
Energy: 1.4741573272187751
Energy: 1.4392022403990823
Energy: 1.4703212078245638
Energy: 1.4895783473533601
Energy: 1.4661200462301271
Energy: 1.4581076194239884
Energy: 1.5235600938584268
Energy: 1.4931478146686687
Energy: 1.5502122533471643
Energy: 1.4261152716800032
Energy: 1.4554665813142775
Energy: 1.4910964222432042
Energy: 1.523560093860829
Energy: 1.4931478146698696
Energy: 1.5502122533483655
Energy: 1.4261152716812044
Energy: 1.467588581603749
Energy: 1.4748708134429593
Energy: 1.4848241202353716
Energy: 1.4598193413824765
Energy: 1.453205071372415
Energy: 1.6340405808993603
Energy: 1.4675885816013465
Energy: 1.4748708134405573
Energy: 1.4848241202353716
Energy: 1.4598193413836773
Energy: 1.5360974566402554
Energy: 1.517608096273007
Energy: 1.4541068681231604
Energy: 1.4744381399639828
Energy: 1.530547707731379
Energy: 1.4534083490704048
Energy: 1.5360974566390542
Energy: 1.517608096274208
Energy: 1.4541068681231604
Energy: 1.474438139962782
Energy: 1.4033573446504497
Energy: 1.4995377456267833
Energy: 1.647708155630504
Energy: 1.406324436375859
Energy: 1.5888558176839964
Energy: 1.4894922830809625
Energy: 1.4033573446492487
Energy: 1.499537745624381
Energy: 1.647708155628102
Energy: 1.406324436373457
Energy: 1.4237803781971705
Energy: 1.4485320247781253
Energy: 1.5539260456240098
Energy: 1.4667528451692289
Energy: 1.4549723954128857
Energy: 1.5180726935586177
Energy: 1.4237803781983716
Energy: 1.4485320247805273
Energy: 1.553926045626412
Energy: 1.46675284517043
Energy: 1.487695338028945
Energy: 1.579639725579149
Energy: 1.4532996453918712
Energy: 1.5466119708143615
Energy: 1.483809078131657
Energy: 1.452391175391078
Energy: 1.487695338027744
Energy: 1.5796397255779477
Energy: 1.4532996453918712
Energy: 1.546611970815563

minimum gb energy = 1.4033573446492487 eV
minimum distance =  2.24106777178021 Angstroms
sigma value = 33