Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01265148809038396
Energy: 0.01295958525193995
Energy: 2.3979337214297853
Energy: 0.01295958525193995
Energy: 0.01295958525193995
Energy: 0.012988892497653809
Energy: 0.41439966166146985
Energy: 0.012988892498608825
Energy: 2.3979337214297853
Energy: 0.41439966166146985
Energy: 0.41425141926605946
Energy: 0.41439966166146985
Energy: 0.01295958525193995
Energy: 0.012988892497653809
Energy: 0.41439966166146985
Energy: 0.012988892497653809

minimum gb energy = 0.01265148809038396 eV
minimum distance =  2.49850215893763 Angstroms
sigma value = 1


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

Energy: 1.5444543602733285
Energy: 1.8079378843284806
Energy: 1.0351130560042465
Energy: 1.8079378843284806
Energy: 1.7631932809539022
Energy: 1.4026113621611025
Energy: 1.1541221536557917
Energy: 1.402611362159911
Energy: 1.8180772272302594
Energy: 1.0342229396200293
Energy: 1.0087373430265476
Energy: 1.0342229396212206
Energy: 1.5703583651491024
Energy: 1.4567946468775228
Energy: 1.0412381068286174
Energy: 1.4567946468775228
Energy: 1.5856595555517152
Energy: 1.5042435600472266
Energy: 1.612691491185119
Energy: 1.504243560046035
Energy: 1.7710915366003364
Energy: 1.3397116914481153
Energy: 1.0595531366355095
Energy: 1.3397116914504978
Energy: 1.2559274102136782
Energy: 1.4244874925734925
Energy: 1.0643008597942487
Energy: 1.4244874925723008
Energy: 1.2100158185113037
Energy: 1.2618742480067773
Energy: 1.423280065974336
Energy: 1.2618742480043945
Energy: 1.3095514232330412
Energy: 1.480703703077476
Energy: 1.536027968538954
Energy: 1.480703703077476
Energy: 1.7945843735887466
Energy: 1.5579671577188414
Energy: 1.3202860603482032
Energy: 1.557967157720033
Energy: 1.070310494884332
Energy: 1.508293600110966
Energy: 1.5358482633923247
Energy: 1.5082936001062004
Energy: 1.0935973045062461
Energy: 1.011749936647591
Energy: 1.9425054625455542
Energy: 1.011749936647591
Energy: 1.2617277449561304
Energy: 1.5148782890100099
Energy: 1.6483346437474102
Energy: 1.5148782890100099
Energy: 1.0204583348144085
Energy: 1.465021778884693
Energy: 1.5852568822974897
Energy: 1.465021778884693
Energy: 1.0274374767593752
Energy: 1.450234695024867
Energy: 1.8065617580259348
Energy: 1.450234695024867
Energy: 1.0272080274923023
Energy: 1.344161178115
Energy: 1.7545702491332085
Energy: 1.344161178115
Energy: 1.0200780234626312
Energy: 1.6540888792469746
Energy: 1.5835497364363171
Energy: 1.6540888792469746
Energy: 1.3348076884264595
Energy: 1.512225469838469
Energy: 1.701227893929749
Energy: 1.512225469838469
Energy: 1.0665693762051096
Energy: 1.0115396807116201
Energy: 1.8002062366311853
Energy: 1.0115396807128114
Energy: 1.0725261672620703
Energy: 1.5090199791931467
Energy: 1.354639264323211
Energy: 1.5090199791919554
Energy: 1.7942009151749307
Energy: 1.5353370481746764
Energy: 1.3211245757949672
Energy: 1.5353370481734852
Energy: 1.3091684638636447
Energy: 1.3938110486707656
Energy: 1.6017660911267113
Energy: 1.393811048673148
Energy: 1.273258200727704
Energy: 1.2333147828806401
Energy: 1.269009327130848
Energy: 1.2333147828806401
Energy: 1.492107972215898
Energy: 1.4561241339418463
Energy: 1.0601545403621802
Energy: 1.4561241339406548
Energy: 1.7135587297396244
Energy: 1.3400012759610576
Energy: 1.118688477357983
Energy: 1.3400012759610576
Energy: 1.5496914332851468
Energy: 1.5167899404547902
Energy: 1.6103566259257234
Energy: 1.5167899404559817
Energy: 1.6016370480014133
Energy: 1.5099928666662437
Energy: 1.0785271067569084
Energy: 1.5099928666662437
Energy: 1.8184218395943754
Energy: 1.0351817112201136
Energy: 1.014144492067931
Energy: 1.0351817112201136
Energy: 1.7650228991688894
Energy: 1.4306788643651995
Energy: 1.1540546732662724
Energy: 1.4306788643651995
Energy: 1.5579012799453156
Energy: 1.6210407182898738
Energy: 1.0573483079843313
Energy: 1.6210407182922566
Energy: 1.763623283410859
Energy: 1.3991829039392973
Energy: 1.0891996018706729
Energy: 1.3991829039392973
Energy: 1.7445430121308383
Energy: 1.276207401994963
Energy: 1.0124395026414752
Energy: 1.276207401993772
Energy: 1.5854494769175607
Energy: 1.4957115098556548
Energy: 1.0471138531659667
Energy: 1.4957115098556548

minimum gb energy = 1.0087373430265476 eV
minimum distance =  2.29498775704591 Angstroms
sigma value = 1


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

Energy: 1.6512611536673332
Energy: 1.6169498174897832
Energy: 1.089054198863442
Energy: 1.6169498174897832
Energy: 1.8368833761676786
Energy: 1.705200633153237
Energy: 1.1158012346472697
Energy: 1.705200633153237
Energy: 1.604906209611285
Energy: 1.0856683383911918
Energy: 1.1003586887422119
Energy: 1.0856683383898338
Energy: 1.166872434598785
Energy: 1.3673032824995903
Energy: 1.1157180855364763
Energy: 1.3673032824982323
Energy: 1.1665398668753064
Energy: 1.4246584066034869
Energy: 1.5835752953232767
Energy: 1.4246584066034869
Energy: 1.6012838885000396
Energy: 1.0548323019922345
Energy: 1.0693097826032236
Energy: 1.0548323019949513
Energy: 1.1883894120977845
Energy: 1.557151792359467
Energy: 1.0528935774491641
Energy: 1.5571517923608253
Energy: 1.0524299422865702
Energy: 1.0541701173415494
Energy: 1.5524769001565724
Energy: 1.0541701173388327
Energy: 1.0554836140746333
Energy: 1.4140433562075683
Energy: 1.492522987940816
Energy: 1.4140433562075683
Energy: 1.7498444742195496
Energy: 1.0320776270406138
Energy: 1.3027199640878602
Energy: 1.0320776270406138
Energy: 1.1974943701629976
Energy: 1.4639286755022796
Energy: 1.4715478411372898
Energy: 1.4639286755022796
Energy: 1.0849675869421365
Energy: 1.2761524787591307
Energy: 1.983730669411011
Energy: 1.2761524787645642
Energy: 1.1157546060478456
Energy: 1.6961976959301237
Energy: 1.6677970478561355
Energy: 1.6961976959301237
Energy: 1.1157546060478456
Energy: 1.696144151248775
Energy: 1.6673894196282213
Energy: 1.696144151248775
Energy: 1.084987805924557
Energy: 1.2765581861662758
Energy: 1.9103451757868952
Energy: 1.2765581861662758
Energy: 1.1975283879951317
Energy: 1.463926139575374
Energy: 1.4716546342580124
Energy: 1.463926139575374
Energy: 1.7498444742209076
Energy: 1.0319020145541795
Energy: 1.3026932764182062
Energy: 1.0319020145541795
Energy: 1.0554936836036344
Energy: 1.4145582946871158
Energy: 1.4922498790351184
Energy: 1.414558294688474
Energy: 1.052332850570115
Energy: 1.0542616560730238
Energy: 1.5524769001579306
Energy: 1.0542616560730238
Energy: 1.1887736851622417
Energy: 1.5569828893383042
Energy: 1.0528748778269108
Energy: 1.5569828893383042
Energy: 1.6014548545664196
Energy: 1.0550399593987008
Energy: 1.069051677138103
Energy: 1.0550399593987008
Energy: 1.0339466764695686
Energy: 1.4245478361953985
Energy: 1.583575295321918
Energy: 1.4245478361953985
Energy: 1.0342559459068854
Energy: 1.3673666755236566
Energy: 1.1157180855364763
Energy: 1.3673666755236566
Energy: 1.605385468488087
Energy: 1.085357796894191
Energy: 1.1003103314125382
Energy: 1.085357796894191
Energy: 1.836890251030844
Energy: 1.705135584101671
Energy: 1.1158012346459114
Energy: 1.705135584101671
Energy: 1.6512611536686914
Energy: 1.6169498174911414
Energy: 1.0890541966992442
Energy: 1.6169498174911414
Energy: 1.8368833761690369
Energy: 1.705200633153237
Energy: 1.1158012346459114
Energy: 1.705200633153237
Energy: 1.604906209611285
Energy: 1.0856683383898338
Energy: 1.1003586887422119
Energy: 1.0856683383911918
Energy: 1.1668724346015016
Energy: 1.3673032824995903
Energy: 1.1157180855419095
Energy: 1.3673032824982323

minimum gb energy = 1.0319020145541795 eV
minimum distance =  2.30004245497738 Angstroms
sigma value = 25


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

Energy: 1.5962333978512124
Energy: 1.848969552320472
Energy: 1.1400558714554616
Energy: 1.8489695523220508
Energy: 1.8740961563746674
Energy: 1.3679908411672053
Energy: 1.3205378178720064
Energy: 1.3679908411687842
Energy: 1.598186682935573
Energy: 1.1333910466223946
Energy: 1.1325391663942737
Energy: 1.1333910466223946
Energy: 1.4879985759569296
Energy: 1.458244306838757
Energy: 1.2422190613399715
Energy: 1.458244306838757
Energy: 1.5286589857182973
Energy: 1.515917180900096
Energy: 1.5483274132165477
Energy: 1.5159171808985175
Energy: 1.765526428157532
Energy: 1.1044281099577435
Energy: 1.1952575748694716
Energy: 1.1044281099577435
Energy: 1.2125242841662984
Energy: 1.426544258623286
Energy: 1.1972805208294277
Energy: 1.426544258621707
Energy: 1.11785355511027
Energy: 1.1340045208660414
Energy: 2.0045475798608607
Energy: 1.1340045208660414
Energy: 1.3005149258982027
Energy: 1.5966895606917306
Energy: 1.5756252303468565
Energy: 1.5966895606901514
Energy: 1.128084962001873
Energy: 1.45610853205188
Energy: 1.5382128630786975
Energy: 1.45610853205188
Energy: 1.2318128269285735
Energy: 1.5463539831597548
Energy: 1.7964993341552933
Energy: 1.5463539831597548
Energy: 1.2594372728166863
Energy: 1.2667916739660838
Energy: 1.7958688093691721
Energy: 1.2667916739676628
Energy: 1.1276703816495863
Energy: 1.4572243968401613
Energy: 1.5378055199322087
Energy: 1.4572243968401613
Energy: 1.3001234306862162
Energy: 1.4716982267962766
Energy: 1.5245128731579303
Energy: 1.4716982267946979
Energy: 1.1252882267823476
Energy: 1.1278472002907916
Energy: 2.0350317258750015
Energy: 1.1278472002907916
Energy: 1.2061124584637843
Energy: 1.532851288026047
Energy: 1.1954995704309352
Energy: 1.532851288026047
Energy: 2.021243217991567
Energy: 1.0999122541711668
Energy: 1.1977976801464458
Energy: 1.0999122541695876
Energy: 1.6257413638742795
Energy: 1.4090798940364138
Energy: 1.5479932198819226
Energy: 1.4090798940364138
Energy: 1.4826153825317778
Energy: 1.4605344134679805
Energy: 1.2426451488538548
Energy: 1.4605344134711384
Energy: 1.5874209365344087
Energy: 1.276370703721072
Energy: 1.1340408413636252
Energy: 1.2763707037194931
Energy: 1.87449675544682
Energy: 1.3700065073338974
Energy: 1.1114165238526537
Energy: 1.3700065073354764
Energy: 1.6176497474550424
Energy: 1.8120614309948804
Energy: 1.1933566949605376
Energy: 1.8120614309948804
Energy: 1.770333556012372
Energy: 1.6444216309101716
Energy: 1.3203403971548453
Energy: 1.6444216309101716
Energy: 1.6754017904824607
Energy: 1.1170152761387915
Energy: 1.134808636696707
Energy: 1.1170152761387915
Energy: 1.531331567853157
Energy: 1.515586144940061
Energy: 1.1386207266653796
Energy: 1.515586144940061

minimum gb energy = 1.0999122541695876 eV
minimum distance =  2.24802388529117 Angstroms
sigma value = 9


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

Energy: 1.102470774381959
Energy: 1.100559426435825
Energy: 1.2453626321651174
Energy: 1.100559426435825
Energy: 1.3057167768459816
Energy: 1.3749450367090668
Energy: 1.1981418288280548
Energy: 1.374945036708489
Energy: 1.1900195254853527
Energy: 1.199320460844578
Energy: 1.2291090371931908
Energy: 1.1993204608451344
Energy: 1.190143198641166
Energy: 1.164007840841774
Energy: 1.1980000734917482
Energy: 1.164007840841774
Energy: 1.1901576687794955
Energy: 1.1903444336284619
Energy: 1.1901620130276893
Energy: 1.1903444336282694
Energy: 1.9517987535840426
Energy: 1.1640797719903309
Energy: 1.1900828641430719
Energy: 1.1640797719901597
Energy: 1.2234820492802703
Energy: 1.1903052591184384
Energy: 1.1901044048487024
Energy: 1.190305259118246
Energy: 1.227566235497511
Energy: 1.1946237977230112
Energy: 1.8863325035666196
Energy: 1.1946237977232037
Energy: 1.3199575272551463
Energy: 1.3748480242443892
Energy: 1.3058296904794644
Energy: 1.3748480242445817
Energy: 1.319370590532138
Energy: 1.1604039133040072
Energy: 1.3065541028688328
Energy: 1.1604039133040072
Energy: 1.20942153945865
Energy: 1.3746666715927747
Energy: 1.747305814667056
Energy: 1.3746666715937166
Energy: 1.2276804693468566
Energy: 1.3503286563774908
Energy: 1.1900695378459376
Energy: 1.350328656378047
Energy: 1.3179992074596512
Energy: 1.1640428784472914
Energy: 1.1746076815319226
Energy: 1.1640428784465424
Energy: 1.1905385253498606
Energy: 1.6294438626052485
Energy: 1.1906684255008737
Energy: 1.6294438626054408
Energy: 1.1745654492336743
Energy: 1.1638730588759634
Energy: 1.3179992074618987
Energy: 1.163873058876156
Energy: 1.1900814743000028
Energy: 1.3509919595672013
Energy: 1.2277708482536527
Energy: 1.3509919595609723
Energy: 1.7473448949018706
Energy: 1.3744692495688737
Energy: 1.2067798793571745
Energy: 1.3744692495690665
Energy: 1.306580183526621
Energy: 1.16013393120975
Energy: 1.319370590533251
Energy: 1.1601339312103278
Energy: 1.305403460016178
Energy: 1.3748508380059774
Energy: 1.3199575272564734
Energy: 1.3748508380058062
Energy: 1.8862723229745457
Energy: 1.194454962218727
Energy: 1.2275297950934962
Energy: 1.1944549622185345
Energy: 1.1901339007236442
Energy: 1.1901783144611682
Energy: 1.2235197362309826
Energy: 1.1901783144615536

minimum gb energy = 1.100559426435825 eV
minimum distance =  2.34737738471037 Angstroms
sigma value = 25


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

Energy: 1.4801165657424078
Energy: 1.7549170147946689
Energy: 1.3304859027177764
Energy: 1.7549170147944306
Energy: 1.7790703038281803
Energy: 1.4490918528307586
Energy: 1.238022300553225
Energy: 1.4490918528309966
Energy: 1.5834888440463397
Energy: 1.1970163394054347
Energy: 1.2633767289967748
Energy: 1.1970163394056728
Energy: 1.328167269972422
Energy: 1.259236973586225
Energy: 1.2550441963786774
Energy: 1.2592369735873896
Energy: 1.3226440462258922
Energy: 1.4005763476432496
Energy: 1.7214627608890587
Energy: 1.4005763476430113
Energy: 1.7251006873931585
Energy: 1.225877610385311
Energy: 1.2663901412038507
Energy: 1.2258776103860256
Energy: 1.2909288464800255
Energy: 1.546284842925595
Energy: 1.3732561471425997
Energy: 1.546284842925595
Energy: 1.4226604703193593
Energy: 1.5225436572527093
Energy: 1.6752835627919982
Energy: 1.5225436572527093
Energy: 1.2900234308923566
Energy: 1.4522005323976883
Energy: 1.2280969628938103
Energy: 1.452200532397212
Energy: 1.587639896437582
Energy: 1.4522317108171052
Energy: 1.3737491860844846
Energy: 1.4522317108175817
Energy: 1.2604680343770198
Energy: 1.4526012135405515
Energy: 1.639917977892146
Energy: 1.4526012135403394
Energy: 1.2603589123797385
Energy: 1.5469821828280845
Energy: 1.2328896644201115
Energy: 1.5469821828285613
Energy: 1.5639672127315658
Energy: 1.242298660384404
Energy: 1.2471872169858649
Energy: 1.2422986603820745
Energy: 1.6468152369927593
Energy: 1.6540649499864473
Energy: 1.444145554576374
Energy: 1.6540649499866857
Energy: 1.6551007609961264
Energy: 1.7419665143153087
Energy: 1.4461532123671434
Energy: 1.7419665143150707
Energy: 1.7779790751326363
Energy: 1.242451959461297
Energy: 1.2450194212544026
Energy: 1.242451959461535
Energy: 1.2616932525014228
Energy: 1.5695020679712721
Energy: 1.26277501383683
Energy: 1.5695020679717488

minimum gb energy = 1.1970163394054347 eV
minimum distance =  2.31207146924832 Angstroms
sigma value = 17


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

Energy: 1.6347441428094143
Energy: 1.7176353066897663
Energy: 1.4839158692011716
Energy: 1.7176353066897663
Energy: 1.7623425684990914
Energy: 1.4564064772106808
Energy: 1.320810898409634
Energy: 1.4564064772120002
Energy: 1.5139821598591943
Energy: 1.2409608127634388
Energy: 1.267746107540844
Energy: 1.2409608127634388
Energy: 1.262435175845575
Energy: 1.2381252266643468
Energy: 1.3024847633279635
Energy: 1.2381252266643468
Energy: 1.3120236499551234
Energy: 1.4252624345715528
Energy: 1.6009908581988623
Energy: 1.425262434572872
Energy: 1.5569630927665359
Energy: 1.673446659509864
Energy: 1.412108805417347
Energy: 1.6734466595085447
Energy: 1.3523643286837432
Energy: 1.4025451048203175
Energy: 1.6227032288374212
Energy: 1.4025451048216369
Energy: 1.3207904667072088
Energy: 1.354497236274601
Energy: 1.5716429472319675
Energy: 1.3544972362732817
Energy: 1.2581056187592123
Energy: 1.4136759519307347
Energy: 1.3255383181367555
Energy: 1.4136759519307347
Energy: 1.6007585510315054
Energy: 1.4361342615424477
Energy: 1.3772748175297203
Energy: 1.4361342615424477
Energy: 1.2983642488321445
Energy: 1.2718516309919585
Energy: 1.5035050102065999
Energy: 1.2718516309972057
Energy: 1.344946414767889
Energy: 1.57610234480036
Energy: 1.3697046775129809
Energy: 1.57610234480036
Energy: 1.642613840096537
Energy: 1.4763220473123997
Energy: 1.3568115287666962
Energy: 1.4763220473123997
Energy: 1.3425498400487192
Energy: 1.437100964270294
Energy: 1.3566380035417067
Energy: 1.4371009642689747
Energy: 1.2962467408445126
Energy: 1.578785664359629
Energy: 1.621778302097191
Energy: 1.5787856643609484
Energy: 1.6088761934531206
Energy: 1.5207665846588436
Energy: 1.323013414288755
Energy: 1.5207665846588436
Energy: 1.2767195967240956
Energy: 1.5148534466483319
Energy: 1.307672061681292
Energy: 1.5148534466509704
Energy: 1.3603834537678485
Energy: 1.397306644101494
Energy: 1.747396525245327
Energy: 1.397306644100175
Energy: 1.459507806744408
Energy: 1.6934892548267992
Energy: 1.6014990038902959
Energy: 1.6934892548267992
Energy: 1.6866800156589978
Energy: 1.599551556589793
Energy: 1.5485050757724028
Energy: 1.599551556589793
Energy: 1.2531112587342073
Energy: 1.4466312227333629
Energy: 1.5979321274856262
Energy: 1.4466312227333629
Energy: 1.2779821005359824
Energy: 1.5171489828130793
Energy: 1.2649087511131147
Energy: 1.5171489828143985
Energy: 1.5958400822907344
Energy: 1.2695883262634324
Energy: 1.2707328932453446
Energy: 1.2695883262673904
Energy: 1.6121939474127407
Energy: 1.4355512122958174
Energy: 1.5523661163060647
Energy: 1.4355512122958174
Energy: 1.638468800106205
Energy: 1.4368463616821496
Energy: 1.55238954514739
Energy: 1.4368463616887464
Energy: 1.642876445222475
Energy: 1.2702763533980304
Energy: 1.282104577748196
Energy: 1.2702763533927832
Energy: 1.2782892021841044
Energy: 1.5699514510561814
Energy: 1.2647739405898577
Energy: 1.5699514510561814
Energy: 1.2781625333625728
Energy: 1.2544318121230948
Energy: 1.5837632919653446
Energy: 1.2544318121230948
Energy: 1.543063202263185
Energy: 1.621035229528213
Energy: 1.5716999932946865
Energy: 1.6210352295268937
Energy: 1.3394089024129976
Energy: 1.685341303224351
Energy: 1.4157479703684859
Energy: 1.685341303224351

minimum gb energy = 1.2381252266643468 eV
minimum distance =  2.24553860881811 Angstroms
sigma value = 53


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

Energy: 1.2011464727132293
Energy: 1.315035717073002
Energy: 1.3571210394689392
Energy: 1.315035717073002
Energy: 1.2209969503067193
Energy: 1.4229912287047302
Energy: 1.2780039852085054
Energy: 1.4229912287047302
Energy: 1.6975526724409737
Energy: 1.297452064453849
Energy: 1.2773553559907014
Energy: 1.2974520644535381
Energy: 1.2773141078720949
Energy: 1.2968791072842716
Energy: 1.6976538525212441
Energy: 1.296879107283961
Energy: 1.2780707495804664
Energy: 1.422992357691048
Energy: 1.2209874402136955
Energy: 1.4229923576907717
Energy: 2.570391715992687
Energy: 1.315035717073002
Energy: 1.2011464727132293
Energy: 1.3150357170726914
Energy: 1.278003985209127
Energy: 1.4229912287044195
Energy: 1.2209969503088594
Energy: 1.4229912287044195
Energy: 1.2773553559919095
Energy: 1.2974520644532619
Energy: 1.6975526724403525
Energy: 1.2974520644526408
Energy: 1.697653852520623
Energy: 1.296879107283374
Energy: 1.277314107871819
Energy: 1.2968791072830634
Energy: 1.2209874402130745
Energy: 1.4229923576913583
Energy: 1.2780707495801555
Energy: 1.422992357691048
Energy: 1.2011464727126429
Energy: 1.3150357170726914
Energy: 1.3571210394683182
Energy: 1.315035717073002
Energy: 1.2209969503079274
Energy: 1.4229912287044195
Energy: 1.278003985209127
Energy: 1.4229912287044195
Energy: 1.6975526724409737
Energy: 1.2974520644532619
Energy: 1.277355355991012
Energy: 1.2974520644535381

minimum gb energy = 1.2011464727126429 eV
minimum distance =  2.40862401628219 Angstroms
sigma value = 9


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

Energy: 1.6294900041175608
Energy: 1.6400294892369571
Energy: 2.0468448556352623
Energy: 1.6400294892369571
Energy: 1.758203961715165
Energy: 1.6875841247655272
Energy: 1.5068466206909248
Energy: 1.6875841247666514
Energy: 1.4051256754857913
Energy: 1.413888278782595
Energy: 1.3481243914841499
Energy: 1.413888278782595
Energy: 1.3647862215645654
Energy: 1.4692137049847764
Energy: 1.4538873783268746
Energy: 1.4692137049859006
Energy: 1.4584363453426266
Energy: 1.5991994972323758
Energy: 1.7452478267192495
Energy: 1.5991994972323758
Energy: 1.795543026782725
Energy: 1.5101630889898936
Energy: 1.4629395327163284
Energy: 1.5101630889898936
Energy: 1.4853104188836361
Energy: 1.6582492445856172
Energy: 1.7970741213891426
Energy: 1.6582492445856172
Energy: 1.341853084726107
Energy: 1.4778589458256317
Energy: 1.5015879113962625
Energy: 1.4778589458256317
Energy: 1.4070236533072367
Energy: 1.5412016848950132
Energy: 1.4152971172568412
Energy: 1.5412016848950132
Energy: 1.4531425918602152
Energy: 1.5552682702305325
Energy: 1.435315446182362
Energy: 1.5552682702305325
Energy: 1.3904792361054357
Energy: 1.5156583964323032
Energy: 1.8463575839147257
Energy: 1.5156583964323032
Energy: 1.8041584099479149
Energy: 1.5277599672681348
Energy: 1.4259859639521997
Energy: 1.5277599672681348
Energy: 1.43165714516301
Energy: 1.4380621997603935
Energy: 1.3627553903239054
Energy: 1.4380621997603935
Energy: 1.4386861501398083
Energy: 1.5379101031432019
Energy: 1.5419756202136785
Energy: 1.5379101031432019
Energy: 1.4123829046518368
Energy: 1.5586838419335631
Energy: 1.397783363689788
Energy: 1.5586838419346871
Energy: 1.83216964561039
Energy: 1.4487042820957834
Energy: 1.35655859115841
Energy: 1.4487042820969076
Energy: 1.4611428448579786
Energy: 1.5603274218698997
Energy: 1.7933953986712226
Energy: 1.5603274218687757
Energy: 1.35886478620262
Energy: 1.5407860983393895
Energy: 1.4344093667333353
Energy: 1.5407860983393895
Energy: 1.788814985411948
Energy: 1.60052005920752
Energy: 1.522707622817083
Energy: 1.60052005920752
Energy: 1.4091510141938866
Energy: 1.5454537756593356
Energy: 1.3742818689703038
Energy: 1.5454537756582114
Energy: 1.39031770803509
Energy: 1.4543071508273775
Energy: 1.7660107485086662
Energy: 1.4543071508273775
Energy: 1.6258199494704224
Energy: 1.6814772593322578
Energy: 1.4580679933319232
Energy: 1.6814772593322578
Energy: 1.549958935819965
Energy: 1.575448477608714
Energy: 1.5079892126160384
Energy: 1.575448477608714
Energy: 1.4490777798378902
Energy: 1.3981308870638876
Energy: 1.8734597724878916
Energy: 1.398130887058267
Energy: 1.411446159916727
Energy: 1.55583626625801
Energy: 1.3729325032218833
Energy: 1.55583626625801
Energy: 1.5959010593943894
Energy: 1.4653545277937117
Energy: 1.3932558353361464
Energy: 1.4653545277937117
Energy: 1.7471058892215476
Energy: 1.628506850924219
Energy: 1.6776752710246234
Energy: 1.6285068509230949
Energy: 1.5711814303220197
Energy: 1.6549211959773649
Energy: 1.6128908657864485
Energy: 1.6549211959773649
Energy: 1.7535846197852865
Energy: 1.5005642730591409
Energy: 1.394438415712126
Energy: 1.5005642730602646
Energy: 1.3699977483292294
Energy: 1.5593170426594238
Energy: 1.3493604328603406
Energy: 1.5593170426594238
Energy: 1.4405395966322116
Energy: 1.458761629030949
Energy: 1.8335152368811665
Energy: 1.458761629030949
Energy: 1.5457226457744493
Energy: 1.5997006368128688
Energy: 1.4951832715696838
Energy: 1.5997006368094964
Energy: 1.7767785266004077
Energy: 1.672623041559993
Energy: 1.4589418925496738
Energy: 1.672623041559993
Energy: 1.3914434294337694
Energy: 1.4414988395061734
Energy: 1.784700670178227
Energy: 1.4414988395050492
Energy: 1.363882062860361
Energy: 1.5515310812675809
Energy: 1.3725677317466687
Energy: 1.5515310812687053

minimum gb energy = 1.341853084726107 eV
minimum distance =  2.28577759870331 Angstroms
sigma value = 73


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

Energy: 1.5257871129618186
Energy: 1.7706741879015375
Energy: 1.62811104182982
Energy: 1.77067418790172
Energy: 1.6075565378883265
Energy: 1.5698841455107904
Energy: 1.498114480546048
Energy: 1.5698841455104457
Energy: 1.4131280011301786
Energy: 1.4711335744615046
Energy: 1.3632262032085927
Energy: 1.4711335744615046
Energy: 1.365162336797998
Energy: 1.5629927797950596
Energy: 1.4647837006490874
Energy: 1.562992779794695
Energy: 1.5282919233591155
Energy: 1.5944847525746573
Energy: 1.4847740023088252
Energy: 1.59448475257411
Energy: 1.92627959028308
Energy: 1.5996156267196748
Energy: 1.4233318752315065
Energy: 1.5996156267193302
Energy: 1.4434218623171984
Energy: 1.6210061932379358
Energy: 1.6030192007811344
Energy: 1.6210061932373883
Energy: 1.3191213257940033
Energy: 1.4260223995872463
Energy: 1.5202802862709912
Energy: 1.4260223995876111
Energy: 1.6035820117795834
Energy: 1.6112334992879673
Energy: 1.524100956449731
Energy: 1.6112334992881294
Energy: 1.378770232445181
Energy: 1.6040356281132109
Energy: 1.4773349964080817
Energy: 1.6040356281126842
Energy: 1.380723018098386
Energy: 1.424989854417708
Energy: 1.9068526983113157
Energy: 1.4249898544169985
Energy: 1.587411187013424
Energy: 1.5977477222872094
Energy: 1.5162370391877642
Energy: 1.5977477222868446
Energy: 1.4756164931540263
Energy: 1.5530718162214674
Energy: 1.3732756192158644
Energy: 1.5530718162209407
Energy: 1.452385530608031
Energy: 1.7043431569050518
Energy: 1.9033616787440122
Energy: 1.7043431569048693
Energy: 1.3707130482027392
Energy: 1.5642990100102883
Energy: 1.438093830880224
Energy: 1.5642990100102883
Energy: 1.6196559613010693
Energy: 1.5206828482629273
Energy: 1.4232148566712417
Energy: 1.5206828482627452
Energy: 1.5095049196539014
Energy: 1.6005396064850497
Energy: 1.7054409679644627
Energy: 1.6005396064850497
Energy: 1.575417069034268
Energy: 1.6184671494817229
Energy: 1.7055493285845182
Energy: 1.6184671494817229
Energy: 1.7628562202732614
Energy: 1.520319437235543
Energy: 1.4694030723205906
Energy: 1.5203194372351783
Energy: 1.3758485400943077
Energy: 1.5752130181111668
Energy: 1.3684601633143954
Energy: 1.5752130181113493
Energy: 1.4987897147643292
Energy: 1.4364099903426786
Energy: 1.9070036130739432
Energy: 1.4364099903425165
Energy: 1.4760398337283556
Energy: 1.606755147068263
Energy: 1.3721021407761287
Energy: 1.606755147068608

minimum gb energy = 1.3191213257940033 eV
minimum distance =  2.28632834410911 Angstroms
sigma value = 7


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

Energy: 1.632620275242465
Energy: 1.5258346620309684
Energy: 1.894697771873901
Energy: 1.5258346620322296
Energy: 1.679031602736079
Energy: 1.488600140970344
Energy: 1.4836655714738054
Energy: 1.488600140970344
Energy: 1.4210360188569944
Energy: 1.3342431560217838
Energy: 1.3502337588223077
Energy: 1.3342431560243058
Energy: 1.4628166690857758
Energy: 1.5765132935521655
Energy: 1.4759904126945955
Energy: 1.5765132935521655
Energy: 1.4461630727493553
Energy: 1.5636223603998827
Energy: 1.3519603338814825
Energy: 1.5636223603998827
Energy: 1.9727325659439117
Energy: 1.4673362448649652
Energy: 1.3670162445856093
Energy: 1.4673362448637037
Energy: 1.436607449223594
Energy: 1.501834769615402
Energy: 1.6754057178515687
Energy: 1.501834769615402
Energy: 1.3667590994854661
Energy: 1.4676283314435767
Energy: 1.4422035560038236
Energy: 1.4676283314423155
Energy: 1.852942527110148
Energy: 1.7531517211939875
Energy: 1.625803038799557
Energy: 1.7531517211952485
Energy: 1.4017191361315255
Energy: 1.6114406748872254
Energy: 1.462507697836717
Energy: 1.6114406748872254
Energy: 1.342405490198497
Energy: 1.4051145312840267
Energy: 1.6309369667967821
Energy: 1.4051145312840267
Energy: 1.6834860330869708
Energy: 1.605819749000779
Energy: 1.5294395451154588
Energy: 1.605819749000779
Energy: 1.7566466476938776
Energy: 1.5544251353259682
Energy: 1.5916160870806335
Energy: 1.5544251353272294
Energy: 1.4835324282715623
Energy: 1.4529772711070883
Energy: 1.941491935427721
Energy: 1.4529772711083493
Energy: 1.3423005376793755
Energy: 1.6099833869873676
Energy: 1.4595152076381568
Energy: 1.6099833869861064
Energy: 1.9522507690804691
Energy: 1.6051155437133278
Energy: 1.485785358219525
Energy: 1.6051155437133278
Energy: 1.396746820478319
Energy: 1.3169227082679216
Energy: 1.44021229582636
Energy: 1.3169227082691826
Energy: 1.3979054732316043
Energy: 1.696788058080263
Energy: 1.7459522254853033
Energy: 1.6967880580815242
Energy: 1.9606542572422625
Energy: 1.4044019187859345
Energy: 1.3966900367952644
Energy: 1.4044019187846732
Energy: 1.4444659308865304
Energy: 1.5637590701502515
Energy: 1.3988002373404054
Energy: 1.5637590701502515
Energy: 1.4144292224224284
Energy: 1.4092513051225737
Energy: 1.5324304138329148
Energy: 1.409251305123835
Energy: 1.461380766798433
Energy: 1.3401355015813674
Energy: 1.3439587246150089
Energy: 1.3401355015826286
Energy: 1.5991439147839095
Energy: 1.56529169534023
Energy: 1.4802821019323198
Energy: 1.56529169534023
Energy: 1.637579507790201
Energy: 1.6511077055903258
Energy: 1.7124383864386095
Energy: 1.6511077055903258
Energy: 1.5993749393488088
Energy: 1.5569007387933895
Energy: 1.4795042705302195
Energy: 1.5569007387946507
Energy: 1.5611057431549593
Energy: 1.3372882732475364
Energy: 1.3432769725027462
Energy: 1.3372882732462752
Energy: 1.4605864426817747
Energy: 1.5764556355190502
Energy: 1.468600026561511
Energy: 1.5764556355190502
Energy: 1.4419470718712437
Energy: 1.5629548947267071
Energy: 1.6945971426030941
Energy: 1.5629548947267071
Energy: 1.5972482279251643
Energy: 1.466976840548057
Energy: 1.3162332581863911
Energy: 1.466976840548057
Energy: 1.6780138420853017
Energy: 1.5001562099022532
Energy: 1.6780270175702727
Energy: 1.500156209900992
Energy: 1.329427082265057
Energy: 1.4669990777377917
Energy: 1.597248227927687
Energy: 1.4669990777377917

minimum gb energy = 1.3162332581863911 eV
minimum distance =  2.29315613326738 Angstroms
sigma value = 29


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

Energy: 1.1835524053616322
Energy: 1.6158742557421923
Energy: 1.836489785156539
Energy: 1.6158742557421923
Energy: 1.6902669932289291
Energy: 1.279941912561131
Energy: 1.3006578533370285
Energy: 1.279941912561131
Energy: 1.5200842648460855
Energy: 1.2334375119634677
Energy: 1.2333850088876945
Energy: 1.233437511963907
Energy: 1.5946295951830296
Energy: 1.5337319762387533
Energy: 1.2504194726996807
Energy: 1.533731976237899
Energy: 1.7371447627736716
Energy: 1.5330009214177645
Energy: 1.2330848127410028
Energy: 1.5330009214181792
Energy: 1.5207207972667804
Energy: 1.2341303794197014
Energy: 1.2326828997512878
Energy: 1.234130379420995
Energy: 1.5786971091401334
Energy: 1.2317680207512962
Energy: 1.8698394079101952
Energy: 1.2317680207530046
Energy: 1.3187156907307789
Energy: 1.4517351258012912
Energy: 1.9231040345986454
Energy: 1.4517351258021451
Energy: 1.6913484021900553
Energy: 1.2941429851085717
Energy: 1.359676148928809
Energy: 1.2941429851085717

minimum gb energy = 1.1835524053616322 eV
minimum distance =  2.37405126815248 Angstroms
sigma value = 5


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

Energy: 1.544771464727679
Energy: 1.637474473861903
Energy: 1.9601595815505126
Energy: 1.637474473861903
Energy: 1.7732147040955406
Energy: 1.5474965335627628
Energy: 1.5167973716178544
Energy: 1.5474965335627628
Energy: 1.371874353112867
Energy: 1.5515549390103116
Energy: 1.4547708721966293
Energy: 1.5515549390115033
Energy: 1.4206337944085465
Energy: 1.4222879840686524
Energy: 1.5498557212239408
Energy: 1.4222879840686524
Energy: 1.3785521771082228
Energy: 1.5304606219524073
Energy: 1.3985272314583883
Energy: 1.5304606219524073
Energy: 1.491326559053503
Energy: 1.558961963519407
Energy: 1.3460418776401284
Energy: 1.5589619635182155
Energy: 1.4619866848100371
Energy: 1.5567644157019678
Energy: 1.516794883873845
Energy: 1.5567644157019678
Energy: 1.4970578452706946
Energy: 1.5568488420221451
Energy: 1.7192519221522744
Energy: 1.5568488420233366
Energy: 1.834099377239966
Energy: 1.5712421770790241
Energy: 1.5574326085655132
Energy: 1.5712421770790241
Energy: 1.6579415455582722
Energy: 1.5770239914404778
Energy: 1.5122178636158714
Energy: 1.5770239914404778
Energy: 1.338371339513983
Energy: 1.4196084399072428
Energy: 1.3899993087059936
Energy: 1.4196084399072428
Energy: 1.3365776046201396
Energy: 1.5096765215564067
Energy: 1.3676226365310662
Energy: 1.5096765215564067
Energy: 1.5831332768859738
Energy: 1.6767609930226726
Energy: 1.4811343654894942
Energy: 1.6767609930226726
Energy: 1.3588245729418649
Energy: 1.5429810508136337
Energy: 1.3737459203135367
Energy: 1.5429810508136337
Energy: 1.3991968088218198
Energy: 1.6254529973446243
Energy: 1.7419640755992263
Energy: 1.6254529973446243
Energy: 1.858103373993155
Energy: 1.5812414442157512
Energy: 1.5453001990449622
Energy: 1.58124144421456
Energy: 1.6877336571189014
Energy: 1.5949178536774995
Energy: 1.7100538945497725
Energy: 1.5949178536763085
Energy: 1.446765143293298
Energy: 1.5724406099180441
Energy: 1.5748759924501132
Energy: 1.5724406099180441
Energy: 1.5239247908276108
Energy: 1.3418792032748286
Energy: 1.4320328878579331
Energy: 1.3418792032736373
Energy: 1.3365830502641711
Energy: 1.5259871252309871
Energy: 1.395450555782504
Energy: 1.5259871252309871
Energy: 1.323817195042293
Energy: 1.5036938891478455
Energy: 1.3739625359481915
Energy: 1.5036938891478455
Energy: 1.517861697299679
Energy: 1.5264770029683181
Energy: 1.4210681659424547
Energy: 1.5264770029683181
Energy: 1.5708185558884877
Energy: 1.5343621553439595
Energy: 1.3675896710443984
Energy: 1.5343621553439595
Energy: 1.695995243024604
Energy: 1.5115171728588674
Energy: 1.7978145812036592
Energy: 1.5115171728576764
Energy: 1.74549782946872
Energy: 1.634840589968418
Energy: 1.9047884785548272
Energy: 1.634840589968418
Energy: 1.7784428888382982
Energy: 1.5333787228606122
Energy: 1.3537804483620088
Energy: 1.5333787228606122
Energy: 1.4583928230830985
Energy: 1.5394076469750124
Energy: 1.3768720835500319
Energy: 1.5394076469750124
Energy: 1.4926857759826575
Energy: 1.442010524022032
Energy: 1.5466522802647122
Energy: 1.442010524022032
Energy: 1.3239460194761294
Energy: 1.5237363471898266
Energy: 1.3847679585284225
Energy: 1.5237363471898266
Energy: 1.6320491859242918
Energy: 1.6311800842835225
Energy: 1.4306587135988844
Energy: 1.6311800842859052
Energy: 1.4824278236006212
Energy: 1.549506776597196
Energy: 1.594820485233053
Energy: 1.5495067765960044
Energy: 1.518665289618367
Energy: 1.4636102964295958
Energy: 1.8334832595326174
Energy: 1.463610296430787
Energy: 1.8534987245100183
Energy: 1.5800928578732147
Energy: 1.5437606087975733
Energy: 1.5800928578732147

minimum gb energy = 1.323817195042293 eV
minimum distance =  2.27897130887722 Angstroms
sigma value = 1


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

Energy: 1.3919136882907173
Energy: 1.462817882947087
Energy: 1.7585026074936883
Energy: 1.462817882947087
Energy: 1.466022123259626
Energy: 1.392089425429135
Energy: 1.350863067844503
Energy: 1.392089425429135
Energy: 1.4354956302501194
Energy: 1.4800693731466878
Energy: 1.4651899631727803
Energy: 1.4800693731466878
Energy: 1.724089537194459
Energy: 1.4983328167113275
Energy: 1.3199673536464682
Energy: 1.4983328167096803
Energy: 1.2701313251954631
Energy: 1.4576145094112114
Energy: 1.3216641364480952
Energy: 1.4576145094112114
Energy: 1.58948370224196
Energy: 1.4816625442034872
Energy: 1.3239574602734328
Energy: 1.4816625442034872
Energy: 1.317902392344907
Energy: 1.4592857917509108
Energy: 1.424870443946923
Energy: 1.4592857917509108
Energy: 1.3177682164289704
Energy: 1.4658751627106117
Energy: 1.587284618078656
Energy: 1.4658751627089646
Energy: 1.7452445959337979
Energy: 1.4634642807445326
Energy: 1.3403589671671254
Energy: 1.4634642807445326
Energy: 1.7452445959321505
Energy: 1.4633595683193625
Energy: 1.336669327199971
Energy: 1.4633595683177154
Energy: 1.317831236781963
Energy: 1.4661267056056895
Energy: 1.587284618078656
Energy: 1.4661267056040423
Energy: 1.3181610311680874
Energy: 1.4594193868028555
Energy: 1.424870443946923
Energy: 1.4594193868028555
Energy: 1.5894635937684027
Energy: 1.4815215384072598
Energy: 1.3227292016739571
Energy: 1.4815215384072598
Energy: 1.2700879139818135
Energy: 1.457232762271254
Energy: 1.321534701001682
Energy: 1.457232762271254
Energy: 1.723947837077733
Energy: 1.49853010300584
Energy: 1.3208881375893498
Energy: 1.49853010300584
Energy: 1.4354956302517665
Energy: 1.4800590202117994
Energy: 1.465197589164798
Energy: 1.4800590202117994
Energy: 1.466083088713485
Energy: 1.3954957354242
Energy: 1.3508950025701734
Energy: 1.3954957354242
Energy: 1.3919136882890701
Energy: 1.46281788294544
Energy: 1.758502607492041
Energy: 1.462817882947087
Energy: 1.466022123259626
Energy: 1.392089425429135
Energy: 1.350863067844503
Energy: 1.392089425429135
Energy: 1.4354956302501194
Energy: 1.4800693731466878
Energy: 1.4651899631727803
Energy: 1.4800693731466878
Energy: 1.724089537194459
Energy: 1.4983328167096803
Energy: 1.319967353643174
Energy: 1.4983328167113275
Energy: 1.2701313251954631
Energy: 1.4576145094112114
Energy: 1.3216641364497423
Energy: 1.4576145094112114
Energy: 1.58948370224196
Energy: 1.4816625442034872
Energy: 1.3239574602734328
Energy: 1.4816625442034872
Energy: 1.317902392344907
Energy: 1.4592857917509108
Energy: 1.4248704439485704
Energy: 1.4592857917509108

minimum gb energy = 1.2700879139818135 eV
minimum distance =  2.28490103628756 Angstroms
sigma value = 17


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

Energy: 1.7116828089583789
Energy: 1.504168738022727
Energy: 1.8713431409796104
Energy: 1.504168738022727
Energy: 1.7264709875925925
Energy: 1.5777640065322356
Energy: 1.5574520042631415
Energy: 1.5777640065322356
Energy: 1.4589495403105497
Energy: 1.5036434687057219
Energy: 1.439678594752839
Energy: 1.5036434687057219
Energy: 1.3861251982370266
Energy: 1.431072157333261
Energy: 1.5702446387028621
Energy: 1.431072157333261
Energy: 1.404485128019555
Energy: 1.4861189455501767
Energy: 1.306253837903241
Energy: 1.486118945549159
Energy: 1.4135864411817392
Energy: 1.5087774501440276
Energy: 1.3486840327831322
Energy: 1.5087774501440276
Energy: 1.381229264417089
Energy: 1.4999199866991442
Energy: 1.3535084786205562
Energy: 1.4999199866981259
Energy: 1.3137326410727317
Energy: 1.5214105464062968
Energy: 1.46182361512576
Energy: 1.521410546407315
Energy: 1.6079637769549873
Energy: 1.606756412167125
Energy: 1.6231217580712909
Energy: 1.606756412167125
Energy: 1.6316943084842392
Energy: 1.5852746788471352
Energy: 1.6193140355363027
Energy: 1.585274678848153
Energy: 1.3922488059112414
Energy: 1.57127099988957
Energy: 1.7043255218816815
Energy: 1.5712709998905878
Energy: 1.434525246331922
Energy: 1.544991143029269
Energy: 1.5362968745491117
Energy: 1.544991143028251
Energy: 1.4280378532485807
Energy: 1.4903779437689901
Energy: 1.327532929795887
Energy: 1.4903779437700082
Energy: 1.364638681217511
Energy: 1.5083571694445612
Energy: 1.3113559021906214
Energy: 1.5083571694435896
Energy: 1.369929134429556
Energy: 1.4880965600255134
Energy: 1.4723062390976978
Energy: 1.4880965600244953
Energy: 1.3723877205875568
Energy: 1.4969936555328578
Energy: 1.3774590904570045
Energy: 1.4969936555348944
Energy: 1.6347152327251298
Energy: 1.4259362348558424
Energy: 1.4541007221817204
Energy: 1.4259362348558424
Energy: 1.4835176028708719
Energy: 1.5385981526541734
Energy: 1.5549114179531442
Energy: 1.5385981526541734
Energy: 1.583775097933669
Energy: 1.5959402972496797
Energy: 1.635265569464872
Energy: 1.5959402972496797
Energy: 1.7669775569629773
Energy: 1.5982635992394225
Energy: 1.4747243955877858
Energy: 1.5982635992394225
Energy: 1.395414559493106
Energy: 1.6105630740733816
Energy: 1.710979472249112
Energy: 1.6105630740754178
Energy: 1.4005239553479243
Energy: 1.4802788964281304
Energy: 1.40146210938591
Energy: 1.4802788964240579
Energy: 1.5655167906281546
Energy: 1.5479022072796098
Energy: 1.4454698862183704
Energy: 1.5479022072796098
Energy: 1.3334178061660715
Energy: 1.482387615814664
Energy: 1.351046558043957
Energy: 1.4823876158207725
Energy: 1.344963950828338
Energy: 1.5482223606432763
Energy: 1.5285652093975566
Energy: 1.5482223606442946
Energy: 1.3669368121656813
Energy: 1.5132027816624334
Energy: 1.379456830861929
Energy: 1.5132027816624334
Energy: 1.7638115350210901
Energy: 1.501944483985764
Energy: 1.4065899275220923
Energy: 1.501944483985764
Energy: 1.6007333012420473
Energy: 1.585057520773229
Energy: 1.8533954873021268
Energy: 1.5850575207711928
Energy: 1.609149599776599
Energy: 1.5307392690791788
Energy: 1.7503449123339443
Energy: 1.5307392690781607
Energy: 1.595318973878198
Energy: 1.5129863206125544
Energy: 1.3792460417048718
Energy: 1.5129863206125544
Energy: 1.3587063020327008
Energy: 1.4968487920936187
Energy: 1.4541606340574245
Energy: 1.4968487920936187
Energy: 1.3432976393425502
Energy: 1.489665242574655
Energy: 1.4996311482949578
Energy: 1.489665242574655
Energy: 1.3753166018504697
Energy: 1.4711037517135181
Energy: 1.365723500636482
Energy: 1.4711037517145362
Energy: 1.5371992544346853
Energy: 1.4865753801465666
Energy: 1.3884216991342486
Energy: 1.4865753801455486
Energy: 1.396228413590908
Energy: 1.4960479615750826
Energy: 1.459677786148302
Energy: 1.4960479615699922
Energy: 1.571665990090735
Energy: 1.452286950277006
Energy: 1.6481299229715571
Energy: 1.4522869502759879
Energy: 1.8447017848918594
Energy: 1.5999216817994435
Energy: 1.5012736332072647
Energy: 1.5999216817994435
Energy: 1.5667387907059391
Energy: 1.4862428097566207
Energy: 1.6987234050020052
Energy: 1.4862428097576388

minimum gb energy = 1.306253837903241 eV
minimum distance =  2.28069410619325 Angstroms
sigma value = 89


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

Energy: 1.589853966285784
Energy: 1.4538599031737793
Energy: 1.6242453457495025
Energy: 1.4538599031732649
Energy: 1.4392237898307816
Energy: 1.5152732415915138
Energy: 1.3940229979951915
Energy: 1.5152732415917864
Energy: 1.3885542559193342
Energy: 1.3903142507024608
Energy: 1.2774314666131898
Energy: 1.3903142507024608
Energy: 1.2631276327859786
Energy: 1.422981269475082
Energy: 1.476071252771606
Energy: 1.4229812694748094
Energy: 1.3284080182172349
Energy: 1.427300075748945
Energy: 1.4122242556181375
Energy: 1.427300075748945
Energy: 1.2815358168264668
Energy: 1.6566227426055915
Energy: 1.4113198655083588
Energy: 1.656622742605319
Energy: 1.2232694480485162
Energy: 1.444640477353236
Energy: 1.3968780468393618
Energy: 1.444640477353236
Energy: 1.2592616534965992
Energy: 1.4117253636683393
Energy: 1.6346729515044456
Energy: 1.4117253636686116
Energy: 1.3871433762828003
Energy: 1.4464837034761386
Energy: 1.333819418036506
Energy: 1.4464837034755935
Energy: 1.5704995891955524
Energy: 1.4567914658941168
Energy: 1.2320067367050451
Energy: 1.4567914658943892
Energy: 1.4549189304780874
Energy: 1.4467398612257438
Energy: 1.624824698137647
Energy: 1.4467398612257438
Energy: 1.410283579304715
Energy: 1.4360574282185332
Energy: 1.6247130300537143
Energy: 1.4360574282185332
Energy: 1.3893500251687612
Energy: 1.45738639810178
Energy: 1.3500760986586333
Energy: 1.45738639810178
Energy: 1.3891381447732851
Energy: 1.462923872053409
Energy: 1.231850636447286
Energy: 1.462923872053409
Energy: 1.2238743865623953
Energy: 1.4115942835961863
Energy: 1.3564192655855198
Energy: 1.4115942835961863

minimum gb energy = 1.2232694480485162 eV
minimum distance =  2.29600028314444 Angstroms
sigma value = 13


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

Energy: 1.3817895081490668
Energy: 1.406727181454435
Energy: 1.588433391853525
Energy: 1.4067271814533187
Energy: 1.4194949228985239
Energy: 1.392843064555758
Energy: 1.3059113544231629
Energy: 1.392843064555758
Energy: 1.2860781459058566
Energy: 1.3655949007385149
Energy: 1.4172530216433876
Energy: 1.3655949007373982
Energy: 1.2422073707224832
Energy: 1.2992104430639448
Energy: 1.3282113564802163
Energy: 1.2992104430639448
Energy: 1.3404154759512064
Energy: 1.3164921115194266
Energy: 1.3976764657453165
Energy: 1.3164921115194266
Energy: 1.3558638253265518
Energy: 1.3957714579691796
Energy: 1.2595283925803253
Energy: 1.395771457968063
Energy: 1.2227926742437523
Energy: 1.3507755356182423
Energy: 1.256882291937543
Energy: 1.3507755356182423
Energy: 1.2198783817978893
Energy: 1.2671250815050306
Energy: 1.4203625495004437
Energy: 1.26712508150838
Energy: 1.3830483649097398
Energy: 1.3542177075205222
Energy: 1.3758933022336886
Energy: 1.3542177075205222
Energy: 1.4170602763745248
Energy: 1.3780501423212412
Energy: 1.246488562085766
Energy: 1.3780501423212412
Energy: 1.2789298360096204
Energy: 1.3684079354813765
Energy: 1.2837044811675433
Energy: 1.3684079354813765
Energy: 1.276980251873084
Energy: 1.3801926679229513
Energy: 1.7135062674930706
Energy: 1.3801926679229513
Energy: 1.2792091565141859
Energy: 1.4455592451159953
Energy: 1.3876814466525331
Energy: 1.4455592451159953
Energy: 1.407411924581968
Energy: 1.3952344987189105
Energy: 1.5890880009066204
Energy: 1.3952344987122114
Energy: 1.2787336112946743
Energy: 1.3685493413682617
Energy: 1.3062101151148344
Energy: 1.3685493413693783
Energy: 1.2768202979924363
Energy: 1.358303557882526
Energy: 1.4678669778877191
Energy: 1.3583035578814093
Energy: 1.279678774989825
Energy: 1.3866588029941673
Energy: 1.278873103781543
Energy: 1.3866588029952838
Energy: 1.3845472297273853
Energy: 1.3796125932772483
Energy: 1.3316032787940568
Energy: 1.3796125932783647
Energy: 1.221985972575823
Energy: 1.4099476489446248
Energy: 1.2247170964701035
Energy: 1.4099476489435083
Energy: 1.2247916949812967
Energy: 1.4098785386936294
Energy: 1.2254709973625975
Energy: 1.4098785386936294
Energy: 1.3319546003709872
Energy: 1.3796244894441363
Energy: 1.384486791583465
Energy: 1.3796244894441363
Energy: 1.2790908876980938
Energy: 1.3867124027250644
Energy: 1.2796787749954075
Energy: 1.3867124027250644
Energy: 1.4678669778877191
Energy: 1.3586543094223518
Energy: 1.2769316446494843
Energy: 1.3586543094223518
Energy: 1.3062101151126015
Energy: 1.3686979543718674
Energy: 1.2792403668568408
Energy: 1.3686979543729838
Energy: 1.5891965996044355
Energy: 1.4365008333450846
Energy: 1.396624198102906
Energy: 1.436500833346201
Energy: 1.3874610468023194
Energy: 1.4509577281553578
Energy: 1.2792091565186519
Energy: 1.4509577281553578
Energy: 1.7134803335550932
Energy: 1.3801606742223296
Energy: 1.277154969792003
Energy: 1.3801606742223296
Energy: 1.2837044811675433
Energy: 1.3683357534342295
Energy: 1.3347201152519372
Energy: 1.3683357534342295
Energy: 1.246290699834001
Energy: 1.3784130207375789
Energy: 1.4171846910661707
Energy: 1.3784130207375789
Energy: 1.3753464961560573
Energy: 1.355260686844013
Energy: 1.3828203253094358
Energy: 1.355260686844013
Energy: 1.4203275927700256
Energy: 1.2670031022588188
Energy: 1.219683852413503
Energy: 1.2670031022565857
Energy: 1.2567083649063564
Energy: 1.3521895702937026
Energy: 1.2175051389589981
Energy: 1.3521895702914692
Energy: 1.2289996842592068
Energy: 1.3960310272928915
Energy: 1.355909335026141
Energy: 1.3960310272928915
Energy: 1.3976048570878026
Energy: 1.316360123209259
Energy: 1.3404059306590734
Energy: 1.3163601232081423
Energy: 1.3283238365241794
Energy: 1.2999275305751312
Energy: 1.2422153104186786
Energy: 1.2999275305751312

minimum gb energy = 1.2175051389589981 eV
minimum distance =  2.35788176740326 Angstroms
sigma value = 37


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

Energy: 1.3917314586688536
Energy: 1.3443493851069102
Energy: 1.524364058885757
Energy: 1.344349385108067
Energy: 1.4533137819045467
Energy: 1.2547842134223508
Energy: 1.2401041879590549
Energy: 1.2547842134223508
Energy: 1.4338852706118863
Energy: 1.3043055182271182
Energy: 1.3834835188483632
Energy: 1.3043055182271182
Energy: 1.2814047790492182
Energy: 1.3211094947729787
Energy: 1.2875902083130206
Energy: 1.321109494772586
Energy: 1.286646729118162
Energy: 1.293096453120641
Energy: 1.2486176137702933
Energy: 1.293096453120641
Energy: 1.298836336328423
Energy: 1.3272540827349921
Energy: 1.269002419122553
Energy: 1.3272540827349921
Energy: 1.3141996452088966
Energy: 1.302154521198356
Energy: 1.2994559531410181
Energy: 1.3021545211985526
Energy: 1.1890475394866484
Energy: 1.4480557512549017
Energy: 1.2559015802679068
Energy: 1.4480557512549017
Energy: 1.3120106466905543
Energy: 1.288723301692144
Energy: 1.2641481815670423
Energy: 1.288723301692144
Energy: 1.3079753287516376
Energy: 1.315003327048832
Energy: 1.1853565914611877
Energy: 1.315003327048832
Energy: 1.358372924059645
Energy: 1.3028278320811904
Energy: 1.3078161308888907
Energy: 1.302827832081387
Energy: 1.2898686728888016
Energy: 1.3214444099894687
Energy: 1.3458165904549908
Energy: 1.3214444099894687
Energy: 1.401808544774996
Energy: 1.27127056018031
Energy: 1.3799095916828505
Energy: 1.27127056018031
Energy: 1.453445640800014
Energy: 1.3251496718930438
Energy: 1.3151524868176372
Energy: 1.3251496718924543
Energy: 1.3856755063177597
Energy: 1.3413134912333275
Energy: 1.258243820661761
Energy: 1.3413134912335025
Energy: 1.3686011982627457
Energy: 1.2545456022108326
Energy: 1.3344977752631875
Energy: 1.2545456022108326
Energy: 1.4612654289486322
Energy: 1.2718037423249122
Energy: 1.371636946467588
Energy: 1.2718037423249122
Energy: 1.2719425221742588
Energy: 1.334729708535179
Energy: 1.2631164103230779
Energy: 1.3347297085357466
Energy: 1.303626545163559
Energy: 1.3031153990712931
Energy: 1.2563876637054807
Energy: 1.3031153990714897
Energy: 1.2825701989217015
Energy: 1.3265937459115358
Energy: 1.3030961720616168
Energy: 1.326593745912103

minimum gb energy = 1.1853565914611877 eV
minimum distance =  2.29748141377755 Angstroms
sigma value = 25


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

Energy: 1.294166860488323
Energy: 1.2147786917067664
Energy: 1.485455058053931
Energy: 1.2147786917082666
Energy: 1.3198593093358089
Energy: 1.1516281179957057
Energy: 1.2233350432222359
Energy: 1.1516281179942056
Energy: 1.2816386152633719
Energy: 1.1862293926163368
Energy: 1.2684839129213437
Energy: 1.1862293926163368
Energy: 1.1255126132830378
Energy: 1.2374556290507852
Energy: 1.291490371084039
Energy: 1.2374556290522851
Energy: 1.1934807218491659
Energy: 1.1743501120742303
Energy: 1.2876459631333637
Energy: 1.1743501120742303
Energy: 1.1827114785024264
Energy: 1.413069041154019
Energy: 1.1591788149532904
Energy: 1.413069041154019
Energy: 1.17227991333272
Energy: 1.1704803980811873
Energy: 1.195403139870723
Energy: 1.1704803980811873
Energy: 1.1428884534575485
Energy: 1.2382366020342208
Energy: 1.148077041546084
Energy: 1.2382366020342208
Energy: 1.2749675293881566
Energy: 1.172696116567363
Energy: 1.2479767555193715
Energy: 1.172696116567363
Energy: 1.132480488661674
Energy: 1.29152342480595
Energy: 1.2349015913751855
Energy: 1.2915234248044498
Energy: 1.2258992780230957
Energy: 1.1722680466776711
Energy: 1.1918630583629128
Energy: 1.1722680466776711
Energy: 1.1455008747638216
Energy: 1.1686974829102468
Energy: 1.1451366365289553
Energy: 1.1686974829117471
Energy: 1.2089933870604845
Energy: 1.177560918351146
Energy: 1.294132932877856
Energy: 1.177560918351146
Energy: 1.1956345424725094
Energy: 1.1941380345034556
Energy: 1.1750422602028354
Energy: 1.1941380345049555
Energy: 1.2926599873912288
Energy: 1.1507468833159524
Energy: 1.2371122251969224
Energy: 1.1507468833174523
Energy: 1.1281711607478753
Energy: 1.2167030748894467
Energy: 1.20541149413721
Energy: 1.2167030748909466
Energy: 1.27916094789837
Energy: 1.1923707026953547
Energy: 1.3294518621794331
Energy: 1.1923707026953547
Energy: 1.3072857918772036
Energy: 1.160375348863483
Energy: 1.2388496945178515
Energy: 1.1603753488739832
Energy: 1.4122936599860507
Energy: 1.216271580497109
Energy: 1.3557722103882868
Energy: 1.2162715804986088
Energy: 1.2820423774972554
Energy: 1.2942487359210282
Energy: 1.2041661908656296
Energy: 1.2942487359210282
Energy: 1.278435491381612
Energy: 1.1875293675276102
Energy: 1.3293179175831984
Energy: 1.1875293675276102
Energy: 1.165010525516042
Energy: 1.1846350922704982
Energy: 1.2256941681538527
Energy: 1.1846350922704982
Energy: 1.295039237615385
Energy: 1.1497302992580083
Energy: 1.3654262693376213
Energy: 1.1497302992580083
Energy: 1.1844899878841892
Energy: 1.248455724214368
Energy: 1.1546842448922576
Energy: 1.248455724214368
Energy: 1.2215653552591215
Energy: 1.1774934663961483
Energy: 1.2944230255729041
Energy: 1.1774934663961483
Energy: 1.1438939440833351
Energy: 1.238545291932413
Energy: 1.1646470818426404
Energy: 1.238545291932413

minimum gb energy = 1.1255126132830378 eV
minimum distance =  2.29411718350984 Angstroms
sigma value = 41


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

Energy: 1.2320478288643084
Energy: 1.1285598085551611
Energy: 1.3113317216065656
Energy: 1.1285598085551611
Energy: 1.1702853208777475
Energy: 1.1537904821432166
Energy: 1.164106640568419
Energy: 1.153790482144446
Energy: 1.1549873073899253
Energy: 1.0846625885344683
Energy: 1.1730925934661998
Energy: 1.0846625885332388
Energy: 1.1149160367742559
Energy: 1.1734357261100328
Energy: 1.1410681696722371
Energy: 1.1734357261149237
Energy: 1.1513068246212084
Energy: 1.071599768988517
Energy: 1.1595856363497352
Energy: 1.0715997689872874
Energy: 1.0972479103261332
Energy: 1.1497593788302798
Energy: 1.0465297964725364
Energy: 1.1497593788290499
Energy: 1.2081463876159135
Energy: 1.0621736991310786
Energy: 1.1133371948035327
Energy: 1.0621736991310786
Energy: 1.0686765104969655
Energy: 1.1793229291376481
Energy: 1.1221114300941135
Energy: 1.1793229291364185
Energy: 1.1121372084401493
Energy: 1.0625444797793615
Energy: 1.1294307676973887
Energy: 1.0625444797793615
Energy: 1.0529613357752912
Energy: 1.1046788062998747
Energy: 1.0525275319419596
Energy: 1.1046788062998747
Energy: 1.1840671462427985
Energy: 1.0618945296641125
Energy: 1.0898404234509804
Energy: 1.0618945296653421
Energy: 1.132461702629783
Energy: 0.9747670900447983
Energy: 1.0816626922609864
Energy: 0.9747670900435684
Energy: 1.0989984621393942
Energy: 1.0701952908093082
Energy: 1.1696349433768
Energy: 1.0701952908093082
Energy: 1.050021464072137
Energy: 1.098003660222466
Energy: 1.0515253010947563
Energy: 1.098003660222466
Energy: 1.2411283425431812
Energy: 1.0577749462642674
Energy: 1.0973306316146552
Energy: 1.0577749462642674
Energy: 1.0812915413596027
Energy: 1.0333371120887895
Energy: 1.1052946708765876
Energy: 1.0333371120887895
Energy: 1.1112920091890943
Energy: 1.06907883357565
Energy: 1.236030103261161
Energy: 1.06907883357565
Energy: 1.0921446632359477
Energy: 1.1262847749695266
Energy: 1.0392907337716881
Energy: 1.1262847749695266
Energy: 1.260598829844153
Energy: 1.0835368628060955
Energy: 1.1395477968812608
Energy: 1.0835368628060955
Energy: 1.1271769991592722
Energy: 1.0426991736757045
Energy: 1.1859996722356452
Energy: 1.0426991736757045
Energy: 1.160994048582321
Energy: 1.0970732452442484
Energy: 1.2710863413506677
Energy: 1.0970732452442484
Energy: 1.172539926952468
Energy: 1.1927510304079212
Energy: 1.1159652964198663
Energy: 1.192751030409151
Energy: 1.3757094615536332
Energy: 1.124591580566155
Energy: 1.2190686129141322
Energy: 1.124591580566155
Energy: 1.2055724036252664
Energy: 1.1298646032210173
Energy: 1.1725031887090813
Energy: 1.1298646032160984
Energy: 1.1575665365193535
Energy: 1.0855671484078309
Energy: 1.2692878319761292
Energy: 1.0855671484078309
Energy: 1.0923640514494541
Energy: 1.088157081807927
Energy: 1.1162049591722822
Energy: 1.088157081803008
Energy: 1.2582890289247488
Energy: 1.083357955178536
Energy: 1.2192259811614765
Energy: 1.083357955178536
Energy: 1.1246604347942168
Energy: 1.1408466602061984
Energy: 1.0847320887457832
Energy: 1.1408466602049685
Energy: 1.2255857757937092
Energy: 1.0583062869689992
Energy: 1.238715864295767
Energy: 1.058306286967769
Energy: 1.0648565055238055
Energy: 1.1851117017110446
Energy: 1.0883671354097393
Energy: 1.1851117017110446
Energy: 1.2409004429453099
Energy: 1.0551888772333118
Energy: 1.1083924064231805
Energy: 1.0551888772345415
Energy: 1.0683336852540455
Energy: 1.159947063281792
Energy: 1.046016179278835
Energy: 1.159947063281792

minimum gb energy = 0.9747670900435684 eV
minimum distance =  2.2925291695457 Angstroms
sigma value = 15


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

Energy: 1.1096346716046022
Energy: 1.0333419524317589
Energy: 1.2274836904427315
Energy: 1.0333419524317589
Energy: 1.134346695889568
Energy: 1.195854531007636
Energy: 1.100925467145994
Energy: 1.195854531007636
Energy: 1.1426407272219004
Energy: 1.0233082041039085
Energy: 1.126995258888177
Energy: 1.0233082041028667
Energy: 1.1066496362957075
Energy: 1.0182777694851581
Energy: 1.0772824673821677
Energy: 1.0182777695007845
Energy: 0.9652180382767154
Energy: 1.0067196174483621
Energy: 1.0431263812127376
Energy: 1.0067196174483621
Energy: 1.054691716201401
Energy: 1.183678986106621
Energy: 1.0310221379689712
Energy: 1.183678986106621
Energy: 1.09852389000342
Energy: 0.9905608626603161
Energy: 1.0771399761455709
Energy: 0.9905608626603161
Energy: 0.9798902203910826
Energy: 1.1097311062700979
Energy: 1.0748667561862015
Energy: 1.1097311062711395
Energy: 1.073197361076216
Energy: 0.9757398939914023
Energy: 1.0318278995166108
Energy: 0.9757398939893188
Energy: 1.0446921163529173
Energy: 1.216631537659209
Energy: 0.9937034373019175
Energy: 1.216631537654
Energy: 1.0787149534947715
Energy: 0.9932198142783465
Energy: 1.0449585204866005
Energy: 0.9932198142793882
Energy: 1.05806259272608
Energy: 1.0218387591744011
Energy: 0.9738602506354791
Energy: 1.0218387591744011
Energy: 1.0452774050883251
Energy: 0.9819765085336473
Energy: 1.0505671892333868
Energy: 0.9819765085336473
Energy: 1.0055686643749835
Energy: 0.9738856685751444
Energy: 1.0544719627159456
Energy: 0.9738856685782697
Energy: 1.1416166213104435
Energy: 0.9816473147430435
Energy: 1.0225747338207296
Energy: 0.9816473147430435
Energy: 0.987015529917417
Energy: 0.9635176407886153
Energy: 0.9751508066495549
Energy: 0.9635176407855374
Energy: 1.021126516731498
Energy: 0.9775340281468015
Energy: 1.0455284412892987
Energy: 0.9775340281468015
Energy: 1.0208548026423434
Energy: 0.9585292787600874
Energy: 1.009792153194966
Energy: 0.9585292787611291
Energy: 1.2108441712233946
Energy: 0.9872210998692239
Energy: 1.0101351316404248
Energy: 0.9872210998681823
Energy: 0.9805023975735156
Energy: 0.9418526784647698
Energy: 1.0102571851573257
Energy: 0.9418526784637279
Energy: 1.0432993218564641
Energy: 0.9919985020276775
Energy: 1.0828571162314187
Energy: 0.9919985020328864
Energy: 1.0794949977144
Energy: 0.9631338509637375
Energy: 1.0456725146093495
Energy: 0.9631338509637375
Energy: 1.2082867678471403
Energy: 1.0002659872357025
Energy: 1.0446507412269534
Energy: 1.0002659872367443
Energy: 1.0317565012613703
Energy: 0.9833964528667242
Energy: 1.0746067468580744
Energy: 0.9833964528677659
Energy: 1.0600951886222292
Energy: 1.016300439235355
Energy: 1.094774055408013
Energy: 1.016300439235355
Energy: 1.0997292248036952
Energy: 1.04740693787735
Energy: 1.1167588277131442
Energy: 1.04740693787735
Energy: 1.301746036262292
Energy: 1.028278530031158
Energy: 1.1151009342884783
Energy: 1.0282785300322
Energy: 1.1398729320820618
Energy: 1.0404714384401357
Energy: 1.0722661735498356
Energy: 1.0404714384390938
Energy: 1.1465716904459444
Energy: 1.0163633204834714
Energy: 1.0939827815786298
Energy: 1.0163633204834714
Energy: 1.0722645717791957
Energy: 1.001813556419196
Energy: 1.0673942432601269
Energy: 1.0018135564171122
Energy: 1.2955583331483145
Energy: 0.990676796910625
Energy: 1.0655251828149923
Energy: 0.990676796910625
Energy: 1.0604563966238327
Energy: 1.0094391250581163
Energy: 1.0189932025466708
Energy: 1.0094391250602
Energy: 1.084861164274069
Energy: 0.992319088238444
Energy: 1.0811873113045614
Energy: 0.992319088238444
Energy: 1.0007534290486444
Energy: 1.0527862692942802
Energy: 1.0455760752059788
Energy: 1.052786269303609
Energy: 1.2086703935134828
Energy: 0.9871656453788367
Energy: 0.9419283041286314
Energy: 0.9871656453788367
Energy: 1.046320220035986
Energy: 1.0642945620245332
Energy: 0.9858882116591867
Energy: 1.0642945620245332
Energy: 1.0794870267504681
Energy: 0.9679967099080952
Energy: 1.0453088486030633
Energy: 0.9679967099080952

minimum gb energy = 0.9418526784637279 eV
minimum distance =  2.32777270990377 Angstroms
sigma value = 85


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

Energy: 1.2575094528141768
Energy: 0.9925353439915173
Energy: 1.1280869309351527
Energy: 0.9925353439915173
Energy: 0.9934811914450685
Energy: 1.128360658364762
Energy: 1.0256443646292206
Energy: 1.128360658364762
Energy: 1.0498803004231434
Energy: 0.9931334697885676
Energy: 1.177433536365683
Energy: 0.9931334697885676
Energy: 0.9993800924998232
Energy: 1.1407770056125635
Energy: 1.0270563193412456
Energy: 1.140777005613467
Energy: 1.1348418919045042
Energy: 0.9383474604023793
Energy: 0.9505228602974887
Energy: 0.9383474604023793
Energy: 0.9354843520436467
Energy: 1.055778893826987
Energy: 0.9708882903026623
Energy: 1.0557788938278907
Energy: 0.959502188359071
Energy: 0.9372382051640094
Energy: 1.0543988353008784
Energy: 0.9372382051640094
Energy: 0.9196196016417516
Energy: 1.144896318547526
Energy: 1.0098826982003024
Energy: 1.144896318547526
Energy: 1.0555443883185998
Energy: 0.9116558276772788
Energy: 0.9519327356761307
Energy: 0.9116558276745683
Energy: 0.9923207973918071
Energy: 1.0471126353817561
Energy: 0.912677027490242
Energy: 1.0471126353817561
Energy: 0.9260196801077427
Energy: 0.9114657147642825
Energy: 1.000121821205822
Energy: 0.911465714763379
Energy: 0.9212669071033439
Energy: 0.9675434597294005
Energy: 0.9711423805409891
Energy: 0.9675434597312075
Energy: 0.969179983301847
Energy: 0.9021989456339362
Energy: 0.9272640675237447
Energy: 0.9021989456339362
Energy: 0.9073705224157627
Energy: 0.9399702756129283
Energy: 0.992040650146107
Energy: 0.9399702756129283
Energy: 0.9416366422370382
Energy: 0.9028166139022922
Energy: 0.9699667512328958
Energy: 0.9028166139013887
Energy: 1.0084831509080128
Energy: 0.8697294480163491
Energy: 0.9657670819240403
Energy: 0.8697294480163491
Energy: 0.9402086297591618
Energy: 0.9032278077461245
Energy: 0.928963853259106
Energy: 0.903227807747028
Energy: 0.9057222201395524
Energy: 0.8395657601892906
Energy: 0.9908559050421716
Energy: 0.8395657601938085
Energy: 0.969213831544829
Energy: 0.8933811611356383
Energy: 0.9493191051059819
Energy: 0.8933811611356383
Energy: 0.9380041953241144
Energy: 0.8509000661532026
Energy: 0.9127554363833661
Energy: 0.8509000661522991
Energy: 0.9240139377710902
Energy: 0.9120331537170873
Energy: 1.1442184550622565
Energy: 0.9120331537170873
Energy: 1.0236792156912986
Energy: 0.8489506760500399
Energy: 0.9114119896536834
Energy: 0.8489506760500399
Energy: 1.037296957177385
Energy: 0.9030781102515383
Energy: 0.9458348314474563
Energy: 0.9030781102524419
Energy: 0.9672845934381675
Energy: 0.8991257170554379
Energy: 0.9815034940435785
Energy: 0.8991257170545344
Energy: 0.9562979553200823
Energy: 0.9271924981134921
Energy: 1.2174114672837966
Energy: 0.9271924981143956
Energy: 1.0061257254516145
Energy: 0.8848822792954257
Energy: 0.9715980097237793
Energy: 0.8848822792936187
Energy: 1.1339503397876936
Energy: 0.9269670092889745
Energy: 0.9514819684200531
Energy: 0.9269670092898781
Energy: 1.021457822929309
Energy: 0.8968243595693082
Energy: 0.9802779454821408
Energy: 0.8968243595693082
Energy: 0.9636335053258467
Energy: 1.0166029422816214
Energy: 1.0054211720026964
Energy: 1.0166029422816214
Energy: 0.9933999845574207
Energy: 0.9262028031230318
Energy: 1.025631023708358
Energy: 0.9262028031221283
Energy: 1.2520171005269
Energy: 0.9924718039045418
Energy: 1.0090814675613948
Energy: 0.9924718039036383
Energy: 1.052934070763112
Energy: 0.9394560873926048
Energy: 0.9742292138375542
Energy: 0.9394560873926048
Energy: 0.9360934690038092
Energy: 0.9937585701457087
Energy: 1.0050244833205828
Energy: 0.9937585701457087
Energy: 0.9741277220459723
Energy: 0.8931955326228441
Energy: 1.026054619332699
Energy: 0.8931955326228441
Energy: 1.1337537415162107
Energy: 0.9267102869506182
Energy: 0.9669854402043708
Energy: 0.9267102869497147
Energy: 1.0182870107066502
Energy: 0.8972344600405233
Energy: 0.9311626725269376
Energy: 0.8972344600387162
Energy: 0.8529189123030185
Energy: 0.9274341234817735
Energy: 1.218487872602978
Energy: 0.92743412348087
Energy: 0.9149465716576983
Energy: 0.9400348755290647
Energy: 0.968012255611615
Energy: 0.9400348755272577
Energy: 1.037333288390864
Energy: 0.902877196986646
Energy: 0.9111698403135036
Energy: 0.902877196986646
Energy: 0.9649234103122875
Energy: 0.9586038105456529
Energy: 0.9207804546303741
Energy: 0.9586038105447494
Energy: 0.8923125084357368
Energy: 0.9125126629186655
Energy: 1.144078184181673
Energy: 0.912512662917762
Energy: 0.951450990215706
Energy: 0.977814741258826
Energy: 0.9317217983991017
Energy: 0.977814741258826
Energy: 0.9694179543935197
Energy: 0.8946174083133106
Energy: 0.9181737662253372
Energy: 0.894617408312407

minimum gb energy = 0.8395657601892906 eV
minimum distance =  2.32779931049756 Angstroms
sigma value = 113


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

Energy: 0.01432065327000194
Energy: 0.014413826734635439
Energy: 1.4444007778849781
Energy: 0.014413826734635439
Energy: 0.015274385797782765
Energy: 0.9251180927285823
Energy: 0.01527438579708817
Energy: 0.9251180927278876
Energy: 1.4962120075567193
Energy: 0.014413826733940845
Energy: 0.014320653270696534
Energy: 0.014413826734635439
Energy: 0.015274385797782765
Energy: 0.9251180927285823
Energy: 0.015274385797782765
Energy: 0.9251180927285823
Energy: 0.01432065327000194
Energy: 0.014413826734635439
Energy: 1.4444007778856727
Energy: 0.014413826734635439
Energy: 0.015274385797782765
Energy: 0.9251180927285823
Energy: 0.015274385797782765
Energy: 0.9251180927278876

minimum gb energy = 0.01432065327000194 eV
minimum distance =  2.47599146944381 Angstroms
sigma value = 1