Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_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=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 1.097032771772676e-19, 2.66517276535998e-19, 3.6419077067454e-19, 4.0453197614202596e-19, 4.3000017591609e-19, 4.610439503764739e-19, 4.96775693667942e-19, 5.33039359601898e-19, 5.66827662636324e-19, 5.963926280635259e-19, 6.209507915094779e-19, 6.40354752723852e-19, 6.54824009905506e-19, 6.648984965800979e-19, 6.72872529687516e-19, 6.79556810604564e-19, 6.85036254692844e-19, 6.893877664307879e-19, 6.926770350603899e-19, 6.949617389404739e-19, 6.9629795425323e-19, 6.96733746297678e-19, 6.962659107205499e-19, 6.947502516247859e-19, 6.91997712167574e-19, 6.87787191973422e-19, 6.81847923191184e-19, 6.738594704940599e-19, 6.63435709313256e-19, 6.5010239536510795e-19, 6.332859494146439e-19, 6.12284618096172e-19, 5.862236129675279e-19, 5.5401665827086e-19, 5.14301903867268e-19, 4.65350601168666e-19, 4.04954950773402e-19, 3.29364257181282e-19, 2.29192969670334e-19, 9.817801956058859e-20, -6.91887161979828e-20, -2.7977849253561597e-19, -5.43363785831394e-19, -8.7355476615582e-19, -1.30416376919283e-18, -1.9085929152525e-18, -2.8074941157581997e-18, -4.12618161613824e-18, -6.047175378537899e-18, -9.180984809342878e-18, -1.524121792744788e-17, -2.99872991879244e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013399340574983822
Energy: 0.013719265273253952
Energy: 2.279501745823128
Energy: 1.2548710312453337
Energy: 0.013719265273253952
Energy: 0.21966266642959123
Energy: 1.2533946402411447
Energy: 0.21966266642959123
Energy: 2.2795017459396854
Energy: 1.253394640229397
Energy: 1.4811792158074804
Energy: 1.253394640255843
Energy: 1.2548710312521818
Energy: 0.21966266642959123
Energy: 1.2533946402548686
Energy: 0.2196626664286169

minimum gb energy = 0.013399340574983822 eV
minimum distance =  2.43556384935878 Angstroms
sigma value = 1


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

Energy: 2.3071752156295
Energy: 1.3412856144242538
Energy: 1.1007820835689217
Energy: 1.100827562032688
Energy: 2.180065203306021
Energy: 1.1299321141158
Energy: 1.042308729391166
Energy: 1.1299321141206617
Energy: 2.1865322354776
Energy: 0.9996750295924304
Energy: 1.0000310121601252
Energy: 0.9996750295924304
Energy: 2.173877517035459
Energy: 1.191613317988631
Energy: 0.999817390181786
Energy: 1.1916133179898465
Energy: 2.1262629464989184
Energy: 1.1923137285352836
Energy: 1.4971245979749537
Energy: 1.1923137285352836
Energy: 2.174294532093381
Energy: 1.169925876482546
Energy: 1.357286349673976
Energy: 1.1699258764837612
Energy: 2.275097212226666
Energy: 1.2720207827534042
Energy: 1.445690498499087
Energy: 1.2720207827558352
Energy: 1.7852936098778365
Energy: 1.2728675252346118
Energy: 1.3551318606647398
Energy: 1.2728675252382577
Energy: 1.7695694603650827
Energy: 1.277517547915308
Energy: 1.3548572821849876
Energy: 1.2775175479140926
Energy: 1.786269797843183
Energy: 1.2943832426958917
Energy: 1.7879539531983217
Energy: 1.2943832426922455
Energy: 1.7871494106246786
Energy: 1.2914331431045551
Energy: 1.9326096678738223
Energy: 1.2914331431045551
Energy: 1.359581861586996
Energy: 1.2728888192182388
Energy: 1.7867144752501773
Energy: 1.2728888192133772
Energy: 1.445498821757041
Energy: 1.340451378886093
Energy: 1.9770803957357999
Energy: 1.3404513788885237
Energy: 1.3710362930277755
Energy: 1.1714666542251944
Energy: 2.1737633478392295
Energy: 1.1714666542227634
Energy: 1.4014519926490785
Energy: 1.1929733564569758
Energy: 2.2904194531087465
Energy: 1.192973356458191
Energy: 1.0322697314127691
Energy: 1.1916007229930614
Energy: 2.1572011202435557
Energy: 1.1916007229930614
Energy: 1.000033889013615
Energy: 0.9997234266441283
Energy: 2.183925234864853
Energy: 0.9997234266392667
Energy: 1.077613335870818
Energy: 1.093053889346647
Energy: 2.1751399164586527
Energy: 1.0930538893454318
Energy: 1.1433242935217887
Energy: 1.1309555956316386
Energy: 2.0317698323188558
Energy: 1.1309555956340693
Energy: 1.1901850953848172
Energy: 1.1542903413276275
Energy: 2.1713754557110674
Energy: 1.1542903413288432
Energy: 1.127318924279851
Energy: 1.0653837479728165
Energy: 2.184073339034067
Energy: 1.065383747971601
Energy: 1.1254628360961558
Energy: 1.1892250087713954
Energy: 2.031439003104345
Energy: 1.1892250087701801
Energy: 1.19946623357168
Energy: 1.2334438299596062
Energy: 2.129724972483354
Energy: 1.2334438299571755
Energy: 1.5647841534461089
Energy: 1.2526765508347495
Energy: 2.030770223276698
Energy: 1.252676550833534
Energy: 1.602709136119368
Energy: 1.2504168381167844
Energy: 2.0762108197853615
Energy: 1.2504168381143534
Energy: 1.5988882203457015
Energy: 1.289963326363522
Energy: 1.5651093530075764
Energy: 1.2899633263623067
Energy: 1.5710511959598048
Energy: 1.2899275985116008
Energy: 1.7791495356002434
Energy: 1.289927598517678
Energy: 2.029531053197152
Energy: 1.2527125280324913
Energy: 1.5638966587079324
Energy: 1.252712528031276
Energy: 1.9077684732458042
Energy: 1.251544244498875
Energy: 1.5639746108352657
Energy: 1.251544244496444
Energy: 1.890930462123011
Energy: 1.233183027535145
Energy: 1.1655199237569602
Energy: 1.2331830275339295
Energy: 2.026150097608816
Energy: 1.1191446075937252
Energy: 1.1443951466422455
Energy: 1.119144607596156
Energy: 2.1755328957474314
Energy: 1.0648238400317025
Energy: 1.1683612198589668
Energy: 1.0648238400329177
Energy: 2.1577778513816592
Energy: 1.1585536355754809
Energy: 1.2157009537219772
Energy: 1.158553635579127

minimum gb energy = 0.9996750295924304 eV
minimum distance =  2.27065398349114 Angstroms
sigma value = 1


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

Energy: 2.571511149472943
Energy: 1.3960175884235597
Energy: 1.1196124058134835
Energy: 1.2365975484562837
Energy: 2.06732576124269
Energy: 1.2517159694000555
Energy: 1.1348657092555776
Energy: 1.2517159694000555
Energy: 2.0941007326614502
Energy: 1.0493702893958639
Energy: 1.0466769404005456
Energy: 1.0493702893958639
Energy: 2.0903151718888533
Energy: 1.1738648235626106
Energy: 1.0493405784363237
Energy: 1.1738648235612248
Energy: 2.159211641149202
Energy: 1.2366094917699746
Energy: 1.3506886919783434
Energy: 1.2366094917685888
Energy: 2.090404811664237
Energy: 1.1736531854353294
Energy: 1.3267607562868473
Energy: 1.1736531854353294
Energy: 2.094185489217179
Energy: 1.2264120543538375
Energy: 1.3206122818722918
Energy: 1.2264120543538375
Energy: 1.8211878770887142
Energy: 1.3144549218305897
Energy: 1.3248660463825364
Energy: 1.3144549218319752
Energy: 1.930546774302025
Energy: 1.314390930394185
Energy: 1.3238584210337379
Energy: 1.3143909303955705
Energy: 1.8205457392686617
Energy: 1.2878947562715468
Energy: 1.8186487358937173
Energy: 1.2878947562729326
Energy: 1.820819338588629
Energy: 1.3148733691986085
Energy: 1.7511267766430458
Energy: 1.314873369197223
Energy: 1.3966138067280238
Energy: 1.3141229018811156
Energy: 1.5625406399504658
Energy: 1.3141229018797296
Energy: 1.3980560146786607
Energy: 1.2264326735350426
Energy: 1.8214472628729526
Energy: 1.2264326735350426
Energy: 1.3971400238208507
Energy: 1.25171408383261
Energy: 2.096998653463675
Energy: 1.25171408383261
Energy: 1.165721483026294
Energy: 1.2512527201140635
Energy: 2.065949465768554
Energy: 1.251252720115449
Energy: 1.135315641945454
Energy: 1.2519014324505058
Energy: 2.067803765299376
Energy: 1.2519014324505058
Energy: 1.0466850708596
Energy: 1.0476141301419406
Energy: 2.0945399393034183
Energy: 1.0476141301377833
Energy: 1.049335276960763
Energy: 1.1737555960132793
Energy: 2.090697358411947
Energy: 1.1737555960132793
Energy: 1.2163452251775941
Energy: 1.236772778994311
Energy: 2.159145086672568
Energy: 1.236772778995697
Energy: 1.326787008107334
Energy: 1.2518746323335308
Energy: 2.0907685120719504
Energy: 1.2518746323293737
Energy: 1.3199679077542428
Energy: 1.1738601272515234
Energy: 2.094353860964335
Energy: 1.1738601272515234
Energy: 1.3170936323918292
Energy: 1.3147622818583402
Energy: 1.8206179188686444
Energy: 1.314762281863883
Energy: 1.32365178466151
Energy: 1.3140405526717658
Energy: 2.162663388539129
Energy: 1.3140405526717658
Energy: 1.8221147191204732
Energy: 1.2892510584884023
Energy: 1.8210674753755764
Energy: 1.2892510584870165
Energy: 1.748075003760456
Energy: 1.2877230964697195
Energy: 1.8237975440528966
Energy: 1.287723096471105
Energy: 1.5611220370496128
Energy: 1.3142556564788859
Energy: 1.3973293486389184
Energy: 1.3142556564775
Energy: 1.8216450495340082
Energy: 1.2239788323220662
Energy: 1.3967058173368567
Energy: 1.2239788323220662
Energy: 2.09717835111933
Energy: 1.170993899308943
Energy: 1.397148763167685
Energy: 1.170993899308943
Energy: 2.065610377794952
Energy: 1.2514419299551627
Energy: 1.303130820873667
Energy: 1.2514419299551627

minimum gb energy = 1.0466769404005456 eV
minimum distance =  2.28187026869931 Angstroms
sigma value = 25


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

Energy: 2.444761630067504
Energy: 1.5067592327615213
Energy: 1.2448960927621693
Energy: 1.2141365957762147
Energy: 2.0093763233171287
Energy: 1.294671902603893
Energy: 1.2592219494512813
Energy: 1.294671902603893
Energy: 1.995152717069324
Energy: 1.1295925288238224
Energy: 1.1338299849645836
Energy: 1.1295925288254334
Energy: 1.9945628167426304
Energy: 1.3563026077699103
Energy: 1.2115747311385097
Energy: 1.3563026077666887
Energy: 2.202498703537176
Energy: 1.349261922570848
Energy: 1.6422428965626055
Energy: 1.349261922572459
Energy: 2.03928306475284
Energy: 1.3334654021694583
Energy: 1.6021832627052566
Energy: 1.3334654021678474
Energy: 2.0996519386057324
Energy: 1.3981497028860421
Energy: 1.6864891084364932
Energy: 1.3981497028860421
Energy: 1.5886013285905667
Energy: 1.4088902584546679
Energy: 1.5825736533560841
Energy: 1.4088902584546679
Energy: 1.7551832967302814
Energy: 1.397901052188714
Energy: 1.5832837832317932
Energy: 1.3979010521871031
Energy: 1.600056785310955
Energy: 1.3333987697506997
Energy: 2.025324097903182
Energy: 1.3333987697523106
Energy: 1.5471530521626082
Energy: 1.309449514288068
Energy: 1.9985845271394271
Energy: 1.309449514286457
Energy: 1.161056394386154
Energy: 1.3054634109079413
Energy: 1.9926433416928755
Energy: 1.3054634109063303
Energy: 1.1225086095732364
Energy: 1.1349877251768208
Energy: 2.0251014920773347
Energy: 1.1349877251768208
Energy: 1.214471198911487
Energy: 1.129386123900189
Energy: 2.03073694591748
Energy: 1.129386123898578
Energy: 1.2109646257621465
Energy: 1.242402895293983
Energy: 2.197506861407168
Energy: 1.242402895292372
Energy: 1.3748902618076633
Energy: 1.294388251292656
Energy: 1.9908533851279506
Energy: 1.294388251292656
Energy: 1.298022557707134
Energy: 1.2155147658391443
Energy: 2.031915601727993
Energy: 1.2155147658407552
Energy: 1.2976668583986368
Energy: 1.3492707105701653
Energy: 1.8472350268838136
Energy: 1.3492707105685546
Energy: 1.371380442454678
Energy: 1.3895972681703157
Energy: 1.744924048211578
Energy: 1.3895972681719266
Energy: 1.858365798993049
Energy: 1.380955845962894
Energy: 1.847596994355433
Energy: 1.380955845962894
Energy: 1.816226623945148
Energy: 1.4035662775664735
Energy: 1.8481618941982942
Energy: 1.4035662775648625
Energy: 1.7676123675521078
Energy: 1.3878235244876238
Energy: 1.343964963096696
Energy: 1.3878235244860129
Energy: 1.847640605841113
Energy: 1.2616896413077385
Energy: 1.3323965725206048
Energy: 1.2616896413093495
Energy: 2.0318474357541856
Energy: 1.1299127997407077
Energy: 1.3464560680184592
Energy: 1.1299127997407077
Energy: 1.9943934378523926
Energy: 1.3218184642358703
Energy: 1.3920058606205106
Energy: 1.3218184642358703

minimum gb energy = 1.1225086095732364 eV
minimum distance =  2.27764629151947 Angstroms
sigma value = 9


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

Energy: 2.199271245873748
Energy: 1.5234399926812265
Energy: 1.294356624343578
Energy: 1.4146206558777152
Energy: 1.8283334160908438
Energy: 1.294491957049873
Energy: 1.2942736650399065
Energy: 1.2944919570496765
Energy: 1.9155894058869303
Energy: 1.2116872473963953
Energy: 1.2076531173691805
Energy: 1.2116872473967883
Energy: 1.9161254656627065
Energy: 1.35178589804408
Energy: 1.3994533299593939
Energy: 1.351785898050042
Energy: 1.6807530633543621
Energy: 1.4201137815219895
Energy: 1.513022291725256
Energy: 1.4201137815225575
Energy: 1.912551310932228
Energy: 1.3556311090674258
Energy: 1.657200087330608
Energy: 1.3556311090662685
Energy: 1.916163840982647
Energy: 1.3761649439882706
Energy: 1.1681327971632793
Energy: 1.3761649439884454
Energy: 1.6209531773612482
Energy: 1.4287229082615462
Energy: 1.5886350807656302
Energy: 1.428722908226955
Energy: 1.7032017670417483
Energy: 1.3760614273887486
Energy: 1.5897850497344135
Energy: 1.376061427388552
Energy: 1.617265299162874
Energy: 1.35568785937734
Energy: 1.8644104081451605
Energy: 1.3556878593771435
Energy: 1.2911039289653785
Energy: 1.4142190994250563
Energy: 2.201506977133502
Energy: 1.4142191105033302
Energy: 1.2947743782275987
Energy: 1.416758212873181
Energy: 1.828442524682594
Energy: 1.4167582124942069
Energy: 1.292740728305268
Energy: 1.2117830936122689
Energy: 1.9163171761902547
Energy: 1.2117830936130334
Energy: 1.2943744251036053
Energy: 1.3515563321053081
Energy: 1.9144440761356303
Energy: 1.351556332093974
Energy: 1.3995886838959852
Energy: 1.4198130348297675
Energy: 1.6805752552333022
Energy: 1.4198130348289815
Energy: 1.6582602228076833
Energy: 1.375135108503287
Energy: 1.9122636567121905
Energy: 1.3751351085040513
Energy: 1.1682724409226315
Energy: 1.3527948934843024
Energy: 1.9153721244319222
Energy: 1.3527948934898713
Energy: 1.1682787883043362
Energy: 1.3775044584766154
Energy: 1.6174031219287717
Energy: 1.3775044584773797
Energy: 1.5935428826613256
Energy: 1.3756738858114652
Energy: 1.7018321630414486
Energy: 1.3756738858101332
Energy: 1.8640828416117068
Energy: 1.360501125008131
Energy: 1.6180791829603327
Energy: 1.360501125008131
Energy: 1.8285252843247073
Energy: 1.4145422524513798
Energy: 1.6210637783508168
Energy: 1.4145422527750604

minimum gb energy = 1.1681327971632793 eV
minimum distance =  2.28488291643501 Angstroms
sigma value = 25


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

Energy: 1.9331433006902954
Energy: 2.2072997191879336
Energy: 1.4296835178382898
Energy: 1.4295889695804274
Energy: 1.6242096599912161
Energy: 1.3992769319219862
Energy: 1.451452074600271
Energy: 1.3992769319217433
Energy: 1.7260138349587515
Energy: 1.3475462358609993
Energy: 1.3781233461080025
Energy: 1.3475462358621875
Energy: 1.7264312525947028
Energy: 1.4077638564297839
Energy: 1.398705955230111
Energy: 1.407763856430027
Energy: 1.615331729507016
Energy: 1.4572193821680344
Energy: 1.402218797293371
Energy: 1.4572193821682777
Energy: 1.7260780253378942
Energy: 1.555116105669998
Energy: 1.7118062923400317
Energy: 1.5551161056681078
Energy: 1.7313851655074801
Energy: 1.452869689851144
Energy: 1.778866584450065
Energy: 1.4528696898518458
Energy: 1.3196610103651567
Energy: 1.3199237428055635
Energy: 1.7789780952094905
Energy: 1.3199237428060226
Energy: 1.319187937242398
Energy: 1.350021555131808
Energy: 1.718116453052706
Energy: 1.350021555132267
Energy: 1.3977690004899035
Energy: 1.3068517451423454
Energy: 1.7180599147250117
Energy: 1.3068517451423454
Energy: 1.4440591581288893
Energy: 1.3920787535818506
Energy: 1.9385094992898775
Energy: 1.3920787535806625
Energy: 1.6475165787925627
Energy: 1.5122808013041389
Energy: 1.9403900842547737
Energy: 1.5122808013053273
Energy: 1.5537414104893412
Energy: 1.4645241755292657
Energy: 1.7177713773261327
Energy: 1.4645241755292657
Energy: 1.5522108612842211
Energy: 1.4686222362676757
Energy: 1.6201104655279128
Energy: 1.4686222362676757
Energy: 1.647157681793937
Energy: 1.462379062762033
Energy: 1.6336266276145466
Energy: 1.462379062761547
Energy: 1.7123916028401502
Energy: 1.470429090445394
Energy: 1.6191661210464066
Energy: 1.470429090446096
Energy: 2.079306854717923
Energy: 1.4296807685620185
Energy: 1.677587533382557
Energy: 1.4296807685613164

minimum gb energy = 1.3068517451423454 eV
minimum distance =  2.35236192967915 Angstroms
sigma value = 17


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

Energy: 2.6093971942895227
Energy: 2.331416938758525
Energy: 1.5454864180706895
Energy: 2.457213009477623
Energy: 1.6357421874000508
Energy: 1.4198203045974762
Energy: 1.5063784893996026
Energy: 1.4198203045974762
Energy: 1.696670742928489
Energy: 1.3972968863519173
Energy: 1.3969906564782015
Energy: 1.3972968863519173
Energy: 1.6576918906101525
Energy: 1.4325209385332085
Energy: 1.3920650619621657
Energy: 1.4325209385318627
Energy: 1.7683080030275908
Energy: 1.5339163535616125
Energy: 1.5932489672609418
Energy: 1.5339163535589209
Energy: 1.6555972820873714
Energy: 1.5463786531239625
Energy: 1.6227535368946369
Energy: 1.5463786531253085
Energy: 1.886247402378352
Energy: 1.4621018445560463
Energy: 1.8699598771501997
Energy: 1.4621018445573923
Energy: 1.4368692281834556
Energy: 1.4375725569126123
Energy: 1.7688221371073503
Energy: 1.4375725569126123
Energy: 1.4150252036282533
Energy: 1.420994396548876
Energy: 1.6435470271412056
Energy: 1.420994396550222
Energy: 1.367903036512442
Energy: 1.4332153721158352
Energy: 1.6947921926902807
Energy: 1.4332153721158352
Energy: 1.488884088192386
Energy: 1.4567060466441828
Energy: 1.8209695533015102
Energy: 1.4567060466468746
Energy: 1.6193918507465006
Energy: 1.5664875645032674
Energy: 1.6951656746083672
Energy: 1.5664875645046137
Energy: 1.872037590254353
Energy: 1.5478636389701148
Energy: 1.634319563562392
Energy: 1.5478636389728067
Energy: 1.872237714158338
Energy: 1.5101125895513103
Energy: 1.4525736923757198
Energy: 1.5101125895499645
Energy: 1.6102078961780073
Energy: 1.432647544326442
Energy: 1.367585178044738
Energy: 1.4326475443250961
Energy: 1.6100466221605003
Energy: 1.4423279783158793
Energy: 1.4226213322343586
Energy: 1.4423279783172251
Energy: 1.9621821256700223
Energy: 1.4371632965122652
Energy: 1.485575720669755
Energy: 1.4371632965122652
Energy: 1.9620753517771097
Energy: 1.4378301009324808
Energy: 1.6817982072538697
Energy: 1.4378301009338266
Energy: 1.6101281683068325
Energy: 1.5458754681728866
Energy: 1.6810231663747648
Energy: 1.5458754681742324
Energy: 1.50019490210883
Energy: 1.4958235743270862
Energy: 1.711770876591695
Energy: 1.4958235743230484
Energy: 1.3473506675808409
Energy: 1.4060832305635966
Energy: 1.6482768195620703
Energy: 1.4060832305676345
Energy: 1.4207004427087775
Energy: 1.3973314262877978
Energy: 1.6829454713870842
Energy: 1.3973314262877978
Energy: 1.5255970145802047
Energy: 1.4157098845339293
Energy: 1.6543734741340175
Energy: 1.4157098845325833
Energy: 1.7487985459330422
Energy: 1.4494706650084725
Energy: 2.026314507026166
Energy: 1.4494706650057805
Energy: 1.6644230351388256
Energy: 1.4536398555657992
Energy: 1.6833084418064217
Energy: 1.453639855561761
Energy: 1.5020566651879501
Energy: 1.4539756128228742
Energy: 1.7083363212012328
Energy: 1.4539756128215284
Energy: 1.5627986926539563
Energy: 1.478247027046403
Energy: 1.591255088898562
Energy: 1.478247027046403
Energy: 1.696429582930832
Energy: 1.4543926487141983
Energy: 1.546488840399144
Energy: 1.4543926487141983
Energy: 1.6959231051781105
Energy: 1.4518295188459183
Energy: 1.6405076147514002
Energy: 1.4518295188459183
Energy: 1.7564002753730992
Energy: 1.4871373416382767
Energy: 1.8373299162669945
Energy: 1.487137341636931

minimum gb energy = 1.3473506675808409 eV
minimum distance =  2.3184145795943 Angstroms
sigma value = 53


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

Energy: 1.2511902393053647
Energy: 1.2557389475870901
Energy: 1.4016950704178228
Energy: 1.8329500336115239
Energy: 1.4039230292951512
Energy: 1.2699610690153686
Energy: 1.3922674104757384
Energy: 1.2699610690147702
Energy: 1.5569605273743878
Energy: 1.2883416852903553
Energy: 1.399211411223734
Energy: 1.2883416852903553
Energy: 1.500793991664734
Energy: 1.347343456266312
Energy: 1.541307409131966
Energy: 1.347343456238142
Energy: 1.852794477729797
Energy: 1.271711431163947
Energy: 1.5445012365712072
Energy: 1.2717114311587006
Energy: 1.5031033180594864
Energy: 1.3474613221473104
Energy: 1.5599292192396175
Energy: 1.3474613221473104
Energy: 1.543128156935541
Energy: 1.340301859742981
Energy: 1.2547887974683487
Energy: 1.3403018597417489
Energy: 1.3989905416822452
Energy: 1.2716195529192738
Energy: 1.255339592653779
Energy: 1.2716195529248724
Energy: 1.3983592396138953
Energy: 1.3414428086266672
Energy: 1.5575810088389523
Energy: 1.3414428086272658
Energy: 1.5435339810169144
Energy: 1.3434623474294685
Energy: 1.499718962212176
Energy: 1.343462347431018
Energy: 1.5435562660365478
Energy: 1.4438847627624716
Energy: 1.7821438855342389
Energy: 1.443884762759056
Energy: 1.559006521055003
Energy: 1.4376377598067702
Energy: 1.5003812056250478
Energy: 1.437637759807052
Energy: 1.2553665640806118
Energy: 1.2869327163636108
Energy: 1.5433955732201934
Energy: 1.2869327163654771

minimum gb energy = 1.2511902393053647 eV
minimum distance =  2.33200705944588 Angstroms
sigma value = 9


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

Energy: 2.321518041393908
Energy: 2.2431054808400672
Energy: 1.7432245360306344
Energy: 2.330449867551508
Energy: 1.7981359657766935
Energy: 1.555351918850152
Energy: 1.6763122600182316
Energy: 1.555351918849005
Energy: 1.6192627744892785
Energy: 1.469938169508227
Energy: 1.5950481677483466
Energy: 1.4699381695070801
Energy: 1.5721340454969162
Energy: 1.4553471802504274
Energy: 1.5083496306788582
Energy: 1.4553471802492803
Energy: 1.5137726281571335
Energy: 1.4540701460812289
Energy: 1.6362177550074837
Energy: 1.4540701460823755
Energy: 1.6558018959838763
Energy: 1.549037259273417
Energy: 1.7169914247520002
Energy: 1.5490372592745636
Energy: 1.783260382562226
Energy: 1.733912158205171
Energy: 2.0586665225983234
Energy: 1.733912158205171
Energy: 1.7912349692410963
Energy: 1.6904575420061287
Energy: 2.0676393822441073
Energy: 1.6904575420072756
Energy: 1.742987363552945
Energy: 1.5730378987412135
Energy: 1.7298771159651067
Energy: 1.5730378987412135
Energy: 1.5348082778699497
Energy: 1.5084284470584377
Energy: 1.5586398133933066
Energy: 1.5084284470527034
Energy: 1.7435459252360292
Energy: 1.4710536402167
Energy: 1.422598086631987
Energy: 1.4710536402212873
Energy: 1.8244566772865611
Energy: 1.5667035906570408
Energy: 1.5824472492338908
Energy: 1.5667035906581879
Energy: 2.0386522895038555
Energy: 1.5688965399436783
Energy: 1.586815879932322
Energy: 1.5688965399436783
Energy: 2.060420010210615
Energy: 1.6443927577187292
Energy: 1.8708955416508737
Energy: 1.644392757719876
Energy: 1.8532837905734096
Energy: 1.65857167223241
Energy: 1.8512561174633198
Energy: 1.6585716722335566
Energy: 1.6917218605181317
Energy: 1.5480703669485267
Energy: 1.7862433634565582
Energy: 1.5480703669485267
Energy: 1.4445863229844242
Energy: 1.4860572207512401
Energy: 1.9056560836417504
Energy: 1.486057220753534
Energy: 1.4972946706972772
Energy: 1.5361104733799615
Energy: 1.8636788710375025
Energy: 1.5361104733799615
Energy: 1.4995166163021645
Energy: 1.5398973060702341
Energy: 2.046107027874491
Energy: 1.539897306072528
Energy: 1.539380875302404
Energy: 1.9610104126560588
Energy: 1.897017550916192
Energy: 1.9610104126572057
Energy: 1.9400938432183583
Energy: 1.6403214686499763
Energy: 2.0459615291181144
Energy: 1.6403214686522702
Energy: 1.9639515665515996
Energy: 1.568444120239671
Energy: 1.7896720931342296
Energy: 1.568444120239671
Energy: 1.9639792586008966
Energy: 1.6319449551273773
Energy: 1.4956021322272828
Energy: 1.6319449551250835
Energy: 1.9927097328337149
Energy: 1.5579460242426069
Energy: 1.5258628514115826
Energy: 1.5579460242437537
Energy: 1.9183537244630955
Energy: 1.520290432748639
Energy: 1.4491358198037083
Energy: 1.5202904327440512
Energy: 1.664111403660643
Energy: 1.547591104239346
Energy: 1.5185119931422533
Energy: 1.547591104239346
Energy: 1.8931642770373824
Energy: 1.5979297752276864
Energy: 1.8587397929260518
Energy: 1.5979297752276864
Energy: 1.8450158479956797
Energy: 1.5651238576032482
Energy: 2.106759386278609
Energy: 1.5651238576032482
Energy: 1.5654035046172015
Energy: 1.6087462154084082
Energy: 1.9832707074187
Energy: 1.6087462154084082
Energy: 1.5818515421765442
Energy: 1.5791830989380264
Energy: 2.00169588481365
Energy: 1.5791830989334388
Energy: 1.5145916532205201
Energy: 1.4854661835004053
Energy: 1.7627817877962735
Energy: 1.4854661835004053
Energy: 1.5265036194673913
Energy: 1.4540404035597363
Energy: 1.7348183990519614
Energy: 1.454040403554002
Energy: 1.6478812260612254
Energy: 1.5237276196003764
Energy: 1.6923067871424478
Energy: 1.5237276196061107
Energy: 1.6848760842235544
Energy: 1.605126065482843
Energy: 1.7956350326703614
Energy: 1.6051260654794026
Energy: 2.0169024648920004
Energy: 1.7237995751895527
Energy: 1.8838961604796203
Energy: 1.723799575187259

minimum gb energy = 1.422598086631987 eV
minimum distance =  2.30464539369287 Angstroms
sigma value = 73


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

Energy: 2.08968820942914
Energy: 2.1060990050325716
Energy: 1.7097097712263953
Energy: 2.2956359504586006
Energy: 1.8620352608470963
Energy: 1.5577862408641674
Energy: 1.6636104437129886
Energy: 1.557786240862348
Energy: 1.6397763704517256
Energy: 1.5015101659817387
Energy: 1.6127359346416397
Energy: 1.5015101659817387
Energy: 1.645800805835023
Energy: 1.4779391631222887
Energy: 1.5644500078135195
Energy: 1.4779391631222887
Energy: 1.5741111053490315
Energy: 1.478780720917169
Energy: 1.6775656819006883
Energy: 1.478780720917169
Energy: 1.6646960825866741
Energy: 1.6475233521613015
Energy: 1.6742182161250099
Energy: 1.647523352163121
Energy: 1.7546561285329059
Energy: 1.7553891320973916
Energy: 2.0637782294612848
Energy: 1.7553891320973916
Energy: 1.8532280217269363
Energy: 1.6634009655580484
Energy: 2.0634056935923932
Energy: 1.6634009655580484
Energy: 1.8781155241044158
Energy: 1.6061459991319722
Energy: 1.770572606752576
Energy: 1.6061459991319722
Energy: 1.6078066684831422
Energy: 1.5551145016991261
Energy: 1.558162018692419
Energy: 1.5551145016991261
Energy: 1.8706718406193592
Energy: 1.4797154728763737
Energy: 1.445558867684488
Energy: 1.4797154728781932
Energy: 1.916286907833435
Energy: 1.613558566024357
Energy: 1.595096812623875
Energy: 1.6135585663080723
Energy: 1.7910974317471369
Energy: 1.521939599439905
Energy: 1.519300101008472
Energy: 1.5219395994380853
Energy: 1.7933049433683694
Energy: 1.601658130360125
Energy: 1.8803557459164644
Energy: 1.601658130360125
Energy: 2.028505023299817
Energy: 1.6874583986479472
Energy: 1.9381290254085017
Energy: 1.6874583986479472
Energy: 1.7396397028352426
Energy: 1.6019673798706826
Energy: 1.9590463928213206
Energy: 1.6019673798706826
Energy: 1.5156720406066748
Energy: 1.5251286134032547
Energy: 1.9596105183635792
Energy: 1.5251286134032547
Energy: 1.5699460061893264
Energy: 1.603400247457454
Energy: 2.0119591754578847
Energy: 1.6034002474556346
Energy: 1.4483494816220757
Energy: 1.4785716060949854
Energy: 1.8251050215885094
Energy: 1.4785716060931655
Energy: 1.549495456577349
Energy: 1.6556712409496641
Energy: 1.8043278271861733
Energy: 1.6556712409478445
Energy: 1.920959750956543
Energy: 1.6254175675383935
Energy: 1.864335118345708
Energy: 1.6254175675402132
Energy: 1.956747866372692
Energy: 1.59575915978328
Energy: 1.8422359153465366
Energy: 1.5957591597850997

minimum gb energy = 1.445558867684488 eV
minimum distance =  2.30641403269904 Angstroms
sigma value = 7


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

Energy: 2.584365806709929
Energy: 1.9375613602143593
Energy: 2.005884857571585
Energy: 2.199754865749146
Energy: 2.112059872810618
Energy: 1.5414147108925365
Energy: 1.725127349729932
Energy: 1.5414147108925365
Energy: 1.7785336487329126
Energy: 1.5277760209295734
Energy: 1.663002338168532
Energy: 1.5277760209282865
Energy: 1.62803940133503
Energy: 1.494254003952286
Energy: 1.552456397048711
Energy: 1.4942540039535728
Energy: 1.6281700054778139
Energy: 1.4954997661337914
Energy: 1.6670848002160623
Energy: 1.495499766135078
Energy: 1.659939150597863
Energy: 1.592496138270416
Energy: 1.9015178290068055
Energy: 1.5924961382691292
Energy: 1.8495261311563465
Energy: 1.7838656381697475
Energy: 1.9515422618549625
Energy: 1.7838656381697475
Energy: 1.9190547952525079
Energy: 1.6597315805314372
Energy: 1.9110844650540084
Energy: 1.6597315805314372
Energy: 1.9349590505506211
Energy: 1.5707048806063235
Energy: 1.8095591980616743
Energy: 1.57070488059989
Energy: 1.6796902956547262
Energy: 1.5530081559045494
Energy: 1.6076159747077752
Energy: 1.5530081559032625
Energy: 1.913538634086018
Energy: 1.5170901087872384
Energy: 1.4894055700069948
Energy: 1.5170901087885253
Energy: 1.8478992367898412
Energy: 1.561428606544442
Energy: 1.5905221510783254
Energy: 1.5614286065457286
Energy: 1.945099681980508
Energy: 1.5019742965188518
Energy: 1.5519224428952458
Energy: 1.5019742965227119
Energy: 1.9164219817268253
Energy: 1.5519346199782709
Energy: 1.778509565484889
Energy: 1.5519346199808444
Energy: 1.8986902155640282
Energy: 1.6303355357910239
Energy: 1.8676746844083139
Energy: 1.6303355357910239
Energy: 1.7459631714046597
Energy: 1.5334157652549592
Energy: 2.1123833643656065
Energy: 1.5334157652575031
Energy: 1.7259397473585585
Energy: 1.5307716829994393
Energy: 2.112622038571363
Energy: 1.5307716829994393
Energy: 1.6886650844649334
Energy: 1.6115756613668861
Energy: 1.7800528887659386
Energy: 1.6115756613681727
Energy: 1.5526510764499193
Energy: 1.4918264600189204
Energy: 1.630516236347171
Energy: 1.4918264600202071
Energy: 1.6656969365563845
Energy: 1.4918994257900806
Energy: 1.5536764209016143
Energy: 1.4918994257875076
Energy: 1.9017251179359056
Energy: 1.6510560251298436
Energy: 1.7091159537882932
Energy: 1.6510560251324167
Energy: 1.9529149959148766
Energy: 1.6494655761104502
Energy: 1.795741756856691
Energy: 1.6494655761065902
Energy: 1.9534208287139372
Energy: 1.6513044248736335
Energy: 1.9638067157610968
Energy: 1.6513044248736335
Energy: 1.9008247251217216
Energy: 1.7517093403465709
Energy: 1.9348112091476215
Energy: 1.7517093403439974
Energy: 1.721433685943858
Energy: 1.5531177483888827
Energy: 1.6805430055462798
Energy: 1.5531177483888827
Energy: 1.4757176667082477
Energy: 1.5135229806548673
Energy: 1.6811226221576856
Energy: 1.5135229806548673
Energy: 1.5648674820492825
Energy: 1.5656016992029291
Energy: 1.844819172016046
Energy: 1.5656016992029291
Energy: 1.4763480931956081
Energy: 1.5139466370345314
Energy: 1.9453708770699911
Energy: 1.5139466370383912
Energy: 1.5498284041564143
Energy: 1.7375490338522894
Energy: 1.9167825221511328
Energy: 1.737549033853576
Energy: 1.7737650311752475
Energy: 1.5883747336577747
Energy: 1.9428572317175967
Energy: 1.5883747336539147
Energy: 2.112130544145896
Energy: 1.5322403526462751
Energy: 1.9285459351860004
Energy: 1.532240352643702

minimum gb energy = 1.4757176667082477 eV
minimum distance =  2.30513779864975 Angstroms
sigma value = 29


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

Energy: 1.8995766319412701
Energy: 1.4418183331786534
Energy: 1.8215199340095525
Energy: 1.8825136104538212
Energy: 1.7066285818601985
Energy: 1.3994548490457508
Energy: 1.6232455462245579
Energy: 1.3994548490448546
Energy: 1.6937262751407705
Energy: 1.406059691033111
Energy: 1.5284410043339034
Energy: 1.4060596910339824
Energy: 1.6070711091979613
Energy: 1.390056504976846
Energy: 1.3314119993225548
Energy: 1.390056504976846
Energy: 1.611865806981358
Energy: 1.424923103712682
Energy: 1.6350769071998041
Energy: 1.4249231037249575
Energy: 1.6165295101455102
Energy: 1.5397403990402017
Energy: 1.6357481143634642
Energy: 1.5397403990397782
Energy: 1.8142506234891618
Energy: 1.5737749365533742
Energy: 1.6108954377041926
Energy: 1.5737749365511835
Energy: 1.654077161492887
Energy: 1.4066646412706878
Energy: 1.6051131674051653
Energy: 1.4066646412706878
Energy: 1.7064951529858792
Energy: 1.4012491949556014
Energy: 1.7220277687884467
Energy: 1.401249194962598

minimum gb energy = 1.3314119993225548 eV
minimum distance =  2.3143827000436 Angstroms
sigma value = 5


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

Energy: 1.8905407379239785
Energy: 1.8560434330061097
Energy: 1.9720624632594848
Energy: 1.9863443332462305
Energy: 1.7976622151936998
Energy: 1.5496114890760349
Energy: 1.805697902697833
Energy: 1.5496114890784656
Energy: 1.3971653136818307
Energy: 1.4195310132561039
Energy: 1.7875422394335991
Energy: 1.4195310132561039
Energy: 1.390928808674759
Energy: 1.4679214364466497
Energy: 1.7057469590609347
Energy: 1.4679214364478652
Energy: 1.3970606370811176
Energy: 1.4193893092940648
Energy: 1.702339710839105
Energy: 1.4193893092964955
Energy: 1.4467650654865636
Energy: 1.4119911170111803
Energy: 1.7016593332670231
Energy: 1.4119911170111803
Energy: 1.4457728330980613
Energy: 1.445704412953511
Energy: 1.6349285556877926
Energy: 1.4457044129547263
Energy: 1.4526489597841832
Energy: 1.4272618675724362
Energy: 1.659802417321025
Energy: 1.4272618675736515
Energy: 1.8981932572736353
Energy: 1.5646915330269016
Energy: 1.631342999714111
Energy: 1.5646915330244706
Energy: 1.7773910690270422
Energy: 1.7566919258230689
Energy: 1.674455598819428
Energy: 1.7566919258218534
Energy: 1.8695304288257575
Energy: 1.570845199231366
Energy: 1.868044473603874
Energy: 1.570845199225289
Energy: 1.8296770306046461
Energy: 1.583043240280055
Energy: 1.8518874550261992
Energy: 1.5830432402764087
Energy: 1.6690708369746547
Energy: 1.546135772389463
Energy: 1.8523593013678201
Energy: 1.5461357723858165
Energy: 1.6398320737148924
Energy: 1.5911399230678693
Energy: 1.4514321394645533
Energy: 1.591139923066654
Energy: 1.6344042589637975
Energy: 1.4503489053987566
Energy: 1.4542172861252125
Energy: 1.450348905399972
Energy: 1.6392840106542543
Energy: 1.3986852496735906
Energy: 1.4452839073519275
Energy: 1.3986852496748061
Energy: 1.7789365391302718
Energy: 1.4102675536777962
Energy: 1.5265816072675893
Energy: 1.410267553680227
Energy: 1.7894626753334453
Energy: 1.4084275401152568
Energy: 1.3900571176673546
Energy: 1.4084275401116109
Energy: 1.7887600361341878
Energy: 1.4931942970458267
Energy: 1.3930314399040025
Energy: 1.4931942970446113
Energy: 1.8002336779917518
Energy: 1.436488133711938
Energy: 1.3976199491700676
Energy: 1.4364881337131539
Energy: 1.8543627817403674
Energy: 1.740369669890642
Energy: 1.900188787616647
Energy: 1.7403696698857802
Energy: 1.9442362910538071
Energy: 1.7437252144119366
Energy: 1.8988606025748411
Energy: 1.7437252144167983
Energy: 1.9278095051019346
Energy: 1.5026265163132857
Energy: 1.5911144758645048
Energy: 1.502626516310855
Energy: 1.8559346488890203
Energy: 1.5326964318889857
Energy: 1.5473770740487103
Energy: 1.5326964318841794
Energy: 1.8558152972563267
Energy: 1.4638085469481408
Energy: 1.4490061133673842
Energy: 1.4638085469481408
Energy: 1.6557581384938262
Energy: 1.46239374330695
Energy: 1.579056385395627
Energy: 1.462393743308165
Energy: 1.5298464619066776
Energy: 1.417368548900747
Energy: 1.544854851093721
Energy: 1.4173685488995316
Energy: 1.5172623008548607
Energy: 1.4174721859303316
Energy: 1.528800782415468
Energy: 1.4174721859303316
Energy: 1.611851060412403
Energy: 1.6640283859667615
Energy: 1.5714080361609437
Energy: 1.6640283859667615
Energy: 1.441628318894115
Energy: 1.4768168610091073
Energy: 1.7869487746294643
Energy: 1.476816861011538
Energy: 1.5787430813383037
Energy: 1.504232538563138
Energy: 1.780024566204955
Energy: 1.5042325385655688
Energy: 1.5951771185510124
Energy: 1.5493466541011887
Energy: 1.899465475274573
Energy: 1.5493466541036194
Energy: 1.9437989082578668
Energy: 1.8143468467732857
Energy: 1.9581208345732934
Energy: 1.814346846774501

minimum gb energy = 1.3900571176673546 eV
minimum distance =  2.25550339788037 Angstroms
sigma value = 1


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

Energy: 2.248800038566958
Energy: 1.4601819967464513
Energy: 1.7186377537469384
Energy: 1.7932811581384445
Energy: 1.8254585406534518
Energy: 1.5223434980848354
Energy: 1.511938106674566
Energy: 1.5223434980948805
Energy: 1.3965265375495197
Energy: 1.3684909292109282
Energy: 1.6473778368941463
Energy: 1.3684909292109282
Energy: 1.3905481217850335
Energy: 1.361601516117335
Energy: 1.4303139945226042
Energy: 1.3616015161190154
Energy: 1.376327206566421
Energy: 1.5032923245295502
Energy: 1.4997013967637733
Energy: 1.5032923245278702
Energy: 1.3743277160860394
Energy: 1.3700976076071623
Energy: 1.60311047788682
Energy: 1.3700976076071623
Energy: 1.3801968402375224
Energy: 1.4068341715967265
Energy: 1.6422432079393148
Energy: 1.4068341715984072
Energy: 1.5232477318393947
Energy: 1.3431504903990763
Energy: 1.699778816324812
Energy: 1.3431504903990763
Energy: 1.524004060275167
Energy: 1.5193327029783659
Energy: 1.5866504091615878
Energy: 1.5193327029850878
Energy: 1.6345242995709368
Energy: 1.6942346111211741
Energy: 1.6224018456063014
Energy: 1.6942346111211741
Energy: 1.5232461498932441
Energy: 1.522255587108361
Energy: 1.5982442903151666
Energy: 1.5222555871386103
Energy: 1.3878054514356533
Energy: 1.3640487024698555
Energy: 1.841012106216612
Energy: 1.3640487024698555
Energy: 1.3836227459166814
Energy: 1.4084038939433838
Energy: 1.840949267243502
Energy: 1.4084038939417036
Energy: 1.5121329732860147
Energy: 1.42547684603486
Energy: 1.6272172060807408
Energy: 1.42547684603486
Energy: 1.4444985141497826
Energy: 1.3667294960756453
Energy: 1.3967451015473453
Energy: 1.3667294960739649
Energy: 1.443409956462166
Energy: 1.3549999598015807
Energy: 1.3652356810200783
Energy: 1.3549999598015807
Energy: 1.7089416642346462
Energy: 1.3551318536387529
Energy: 1.4908771816391682
Energy: 1.3551318536387529
Energy: 1.644949706864393
Energy: 1.3432048895078443
Energy: 1.3810940429916156
Energy: 1.3432048895095248
Energy: 1.6421724107994902
Energy: 1.4063245292709914
Energy: 1.3803871333519966
Energy: 1.406324529269311
Energy: 1.6975461218088033
Energy: 1.3522306799289634
Energy: 1.3866830635661354
Energy: 1.352230679927283
Energy: 1.554341971947923
Energy: 1.5982008259723726
Energy: 1.6498095057836055
Energy: 1.5982008259723726
Energy: 1.6366369679872612
Energy: 1.6006463629229823
Energy: 1.6180844876666955
Energy: 1.600646362924663
Energy: 1.6027065297780911
Energy: 1.4254409571896618
Energy: 1.5238467663845472
Energy: 1.4254409571896618
Energy: 1.8408077904982307
Energy: 1.407862251247086
Energy: 1.3976756023661052
Energy: 1.407862251247086

minimum gb energy = 1.3431504903990763 eV
minimum distance =  2.26177832328907 Angstroms
sigma value = 17


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

Energy: 2.208863834174147
Energy: 1.7533652329940423
Energy: 1.8131909318099788
Energy: 1.8430599068517406
Energy: 1.5507727269307165
Energy: 1.6353672653960964
Energy: 1.755480025800428
Energy: 1.6353672653971352
Energy: 1.3319783413688646
Energy: 1.3545976495736292
Energy: 1.7554001872097744
Energy: 1.3545976495788226
Energy: 1.3323767978213847
Energy: 1.3552738338489758
Energy: 1.7413696885475067
Energy: 1.3552738338458596
Energy: 1.349444997319621
Energy: 1.3566490216478062
Energy: 1.705322342233874
Energy: 1.3566490216498837
Energy: 1.4632841533819771
Energy: 1.3564416159608894
Energy: 1.5102286500184188
Energy: 1.3564416159629669
Energy: 1.4783087904278038
Energy: 1.351660282609294
Energy: 1.4741178166840316
Energy: 1.3516602826103326
Energy: 1.5437447586072461
Energy: 1.442334242269356
Energy: 1.4850107476133885
Energy: 1.4423342422724719
Energy: 1.768483818128582
Energy: 1.3794790884805206
Energy: 1.3487488090833148
Energy: 1.3794790884794816
Energy: 1.6722674985108936
Energy: 1.4501252067078056
Energy: 1.3322492292363546
Energy: 1.4501252067067671
Energy: 1.8087875920401764
Energy: 1.3628811478049092
Energy: 1.3337050921514555
Energy: 1.3628811478059482
Energy: 1.8443707906653906
Energy: 1.5228389810738492
Energy: 1.905357512627677
Energy: 1.5228389810748877
Energy: 1.8893934401392958
Energy: 1.6629746406006891
Energy: 1.8633924140982088
Energy: 1.6629746405986119
Energy: 1.7462515130877152
Energy: 1.4798281239285818
Energy: 1.5622098034766052
Energy: 1.4798281239285818
Energy: 1.7366003405631958
Energy: 1.4511976218985292
Energy: 1.470681770406686
Energy: 1.4511976218985292
Energy: 1.8868405598299134
Energy: 1.3698365104964272
Energy: 1.4302908383764277
Energy: 1.3698365104891563
Energy: 1.4228278899228834
Energy: 1.3750430396063136
Energy: 1.6026689373919614
Energy: 1.3750430396000815
Energy: 1.4300443156412124
Energy: 1.3823947867458308
Energy: 1.5557175704061144
Energy: 1.3823947867510245
Energy: 1.4104793415666514
Energy: 1.356776027446564
Energy: 1.5708069069186952
Energy: 1.3567760274476028
Energy: 1.4710709897418976
Energy: 1.5424157399649798
Energy: 1.692396964116654
Energy: 1.5424157399649798
Energy: 1.3656428932750502
Energy: 1.3437536968160524
Energy: 1.6980425698803905
Energy: 1.343753696810859
Energy: 1.3772829110206424
Energy: 1.3585721448361379
Energy: 1.6800445825387564
Energy: 1.3585721448288668
Energy: 1.3783840111531684
Energy: 1.6085584129561215
Energy: 1.6778333563541588
Energy: 1.6085584129571602
Energy: 1.8106746033887597
Energy: 1.6045976865708347
Energy: 1.6264228087736545
Energy: 1.604597686579144
Energy: 1.8621911831437479
Energy: 1.3630405591634513
Energy: 1.7327688079997399
Energy: 1.3630405591676062
Energy: 1.6575166346686538
Energy: 1.607426179939278
Energy: 1.8172114237042019
Energy: 1.6074261799455103
Energy: 1.6013236085157103
Energy: 1.6601756739239715
Energy: 1.847427965686328
Energy: 1.660175673922933
Energy: 1.5834209445459124
Energy: 1.6070115334376351
Energy: 1.789561705365674
Energy: 1.607011533435558
Energy: 1.6817213239526687
Energy: 1.3603804875827974
Energy: 1.3722940836448363
Energy: 1.36038048758072
Energy: 1.619782436533713
Energy: 1.4166117456000087
Energy: 1.3818135832987335
Energy: 1.4166117456000087
Energy: 1.6636432604766378
Energy: 1.3712283250372266
Energy: 1.3731319436672942
Energy: 1.3712283250351496
Energy: 1.6041543943026961
Energy: 1.367659283177704
Energy: 1.4076507772812312
Energy: 1.3676592831818586
Energy: 1.5674324361162564
Energy: 1.3743149245263118
Energy: 1.4259548681409144
Energy: 1.3743149245263118
Energy: 1.5567423477210431
Energy: 1.3730407062469716
Energy: 1.4217094342261716
Energy: 1.3730407062480106
Energy: 1.4413162084359248
Energy: 1.4812580307557692
Energy: 1.7712888273034835
Energy: 1.4812580307578467
Energy: 1.4075117240438493
Energy: 1.5447928677043086
Energy: 1.8065150273813713
Energy: 1.5447928677105407
Energy: 1.481302316696498
Energy: 1.3624669341328635
Energy: 1.8358837937752228
Energy: 1.3624669341318247
Energy: 1.8744520989926758
Energy: 1.3551192608911007
Energy: 1.8394238048883556
Energy: 1.3551192608734428

minimum gb energy = 1.3319783413688646 eV
minimum distance =  2.26735982018829 Angstroms
sigma value = 89


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

Energy: 2.4169434986572846
Energy: 1.304623090423754
Energy: 1.5025395771396717
Energy: 1.627830657402983
Energy: 1.6775946822841814
Energy: 1.2786503995673502
Energy: 1.293297854865317
Energy: 1.2786503995670722
Energy: 1.293011493084988
Energy: 1.2777076797228617
Energy: 1.4908264658514165
Energy: 1.2777076797261044
Energy: 1.291917682728401
Energy: 1.277947140000768
Energy: 1.4741489991762684
Energy: 1.277947140002405
Energy: 1.2994387147110749
Energy: 1.3005971978776705
Energy: 1.577303794772928
Energy: 1.300597197877393
Energy: 1.3929232261751
Energy: 1.2679544931254474
Energy: 1.4642982445892636
Energy: 1.2679544931254474
Energy: 1.4063707119406386
Energy: 1.265449355814867
Energy: 1.3930728733720952
Energy: 1.2654493558151447
Energy: 1.4706094934755671
Energy: 1.4032589662481338
Energy: 1.4663980903316518
Energy: 1.4032589662486894
Energy: 1.5472565005579981
Energy: 1.3061959513892771
Energy: 1.2960432884517257
Energy: 1.306195951388196
Energy: 1.6346691906093316
Energy: 1.2783485259976657
Energy: 1.29227709022923
Energy: 1.2783485259973875
Energy: 1.6325998314763643
Energy: 1.307752084479439
Energy: 1.4251219683142766
Energy: 1.307752084478358
Energy: 1.585787309835691
Energy: 1.2784913897404753
Energy: 1.7321166991363455
Energy: 1.2784913897396417
Energy: 1.581986212357776
Energy: 1.5925964383559104
Energy: 1.6279288024641174
Energy: 1.5925964383542737
Energy: 1.5475391747775962
Energy: 1.49748392161546
Energy: 1.4246543787933528
Energy: 1.497483921614657
Energy: 1.7832372475993714
Energy: 1.2775891858749022
Energy: 1.2928360194306445
Energy: 1.277589185876261

minimum gb energy = 1.265449355814867 eV
minimum distance =  2.27395384588642 Angstroms
sigma value = 13


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

Energy: 1.5287762918578245
Energy: 1.262847875825541
Energy: 1.4259124565836292
Energy: 1.4488040186215112
Energy: 1.5152248347972423
Energy: 1.2338592492684795
Energy: 1.352022150842569
Energy: 1.2338592492696185
Energy: 1.2360808259789828
Energy: 1.2321409021333147
Energy: 1.5100506157245743
Energy: 1.2321409021321756
Energy: 1.2331776591296781
Energy: 1.2376222632783074
Energy: 1.4907673381760596
Energy: 1.2376222632783074
Energy: 1.371483256327464
Energy: 1.3963786706727317
Energy: 1.3730565763612073
Energy: 1.3963786706761487
Energy: 1.4221862334356257
Energy: 1.2023484436489686
Energy: 1.3221818290785938
Energy: 1.2023484436455512
Energy: 1.4357104498376723
Energy: 1.2031515219826532
Energy: 1.31771743150096
Energy: 1.203151521981514
Energy: 1.4776893044460941
Energy: 1.3724238662712296
Energy: 1.395689745983358
Energy: 1.3724238662735078
Energy: 1.4486026871911564
Energy: 1.2051350880370872
Energy: 1.2956885859533742
Energy: 1.2051350880393654
Energy: 1.417924341170455
Energy: 1.2072762125852738
Energy: 1.314350991245401
Energy: 1.2072762125829957
Energy: 1.4723021451500147
Energy: 1.2083607683141036
Energy: 1.3768519054151844
Energy: 1.2083607683129645
Energy: 1.2556812727754447
Energy: 1.2319554425997743
Energy: 1.6444616522203475
Energy: 1.2319554426043307
Energy: 1.234716053604191
Energy: 1.2327716188864655
Energy: 1.6290312755102432
Energy: 1.2327716188864655
Energy: 1.2370351293192872
Energy: 1.2352122561233023
Energy: 1.6426117683614505
Energy: 1.2352122561312762
Energy: 1.6815615351515842
Energy: 1.258922296271932
Energy: 1.4917792540317847
Energy: 1.2589222962707927
Energy: 1.6252409466143027
Energy: 1.231802997634245
Energy: 1.5118470681800469
Energy: 1.2318029976376625
Energy: 1.2378164570205492
Energy: 1.2348974683033518
Energy: 1.5016719061953328
Energy: 1.234897468302213
Energy: 1.239048438944174
Energy: 1.2415861831059656
Energy: 1.5058872579972862
Energy: 1.2415861831059656
Energy: 1.2462365857673035
Energy: 1.232492754588751
Energy: 1.5142537011987358
Energy: 1.232492754588751
Energy: 1.4947533034681038
Energy: 1.233498826585275
Energy: 1.2333853570471593
Energy: 1.2334988265875533
Energy: 1.4908531911155491
Energy: 1.2386706123747822
Energy: 1.2349678336388552
Energy: 1.2386706123747822
Energy: 1.3739038152683167
Energy: 1.3950615017449322
Energy: 1.233970832334068
Energy: 1.3950615017415149
Energy: 1.373107451323844
Energy: 1.2058681932083135
Energy: 1.4178924895232148
Energy: 1.2058681932083135
Energy: 1.3187949429227155
Energy: 1.2072920375058094
Energy: 1.3561310097272594
Energy: 1.2072920375046703
Energy: 1.2943305932413425
Energy: 1.376154809640383
Energy: 1.4366849799653596
Energy: 1.3761548096438003
Energy: 1.2930198035677452
Energy: 1.2068284802834506
Energy: 1.4860898443790436
Energy: 1.2068284802834506
Energy: 1.2970775577628486
Energy: 1.2119972991767163
Energy: 1.4187646561112166
Energy: 1.211997299175577
Energy: 1.3726195200412032
Energy: 1.2114753837516494
Energy: 1.4158704465731569
Energy: 1.2114753837516494
Energy: 1.3798344563671316
Energy: 1.2327765251933238
Energy: 1.2318252230051159
Energy: 1.232776525194463
Energy: 1.4284955109966029
Energy: 1.2373573984254875
Energy: 1.2383505558265602
Energy: 1.2373573984243484
Energy: 1.630656044275754
Energy: 1.2352340954661276
Energy: 1.237910302151231
Energy: 1.2352340954684058
Energy: 1.5267162330624462
Energy: 1.2314887983351825
Energy: 1.646041507317502
Energy: 1.2314887983363216
Energy: 1.4986470743780753
Energy: 1.5275946279709605
Energy: 1.6809272431491964
Energy: 1.5275946279732386
Energy: 1.502750088242197
Energy: 1.3127040411989135
Energy: 1.2391164409292064
Energy: 1.3127040412023308
Energy: 1.7644817944464095
Energy: 1.2322865192221681
Energy: 1.2352876813317704
Energy: 1.2322865192221681

minimum gb energy = 1.2023484436455512 eV
minimum distance =  2.29931673005851 Angstroms
sigma value = 37


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

Energy: 1.5234399915111076
Energy: 1.2029751287032424
Energy: 1.3514845063664258
Energy: 1.3726834362574687
Energy: 1.1763281323842931
Energy: 1.172841659710135
Energy: 1.1744502640306551
Energy: 1.1728416597087543
Energy: 1.1719096250393481
Energy: 1.1743285471475893
Energy: 1.4658617531353328
Energy: 1.174328547149549
Energy: 1.1717498562424087
Energy: 1.172666809236117
Energy: 1.4557299966096593
Energy: 1.1726668092359163
Energy: 1.3319553370214132
Energy: 1.3464667104573849
Energy: 1.2713525761080693
Energy: 1.3464667104570063
Energy: 1.401751285650477
Energy: 1.1202144890994654
Energy: 1.2243293802033954
Energy: 1.120214489099087
Energy: 1.3351450124676782
Energy: 1.1246546249987683
Energy: 1.2071118945335186
Energy: 1.1246546249989686
Energy: 1.355431380775418
Energy: 1.1400141834793118
Energy: 1.2078417952868148
Energy: 1.1400141834793118
Energy: 1.3056748117130932
Energy: 1.116003662509735
Energy: 1.276824412075485
Energy: 1.1160036625093341
Energy: 1.2767422330141172
Energy: 1.1134727957006418
Energy: 1.3052194383172384
Energy: 1.113472795702223
Energy: 1.3441548775847896
Energy: 1.41628768056216
Energy: 1.3566840953440797
Energy: 1.41628768056314
Energy: 1.2071602711628808
Energy: 1.1256268840879893
Energy: 1.4123349351591092
Energy: 1.1256268840881896
Energy: 1.2234232422478875
Energy: 1.1286469910926316
Energy: 1.3888215497367997
Energy: 1.1286469910932329
Energy: 1.2725822021026405
Energy: 1.3485035739260054
Energy: 1.323050362123037
Energy: 1.348503573925805
Energy: 1.401066582264139
Energy: 1.1716386574057438
Energy: 1.1952053348996037
Energy: 1.171638657404764
Energy: 1.3626548700770267
Energy: 1.172628745168126
Energy: 1.1718345409264734
Energy: 1.172628745168126
Energy: 1.5760602853066974
Energy: 1.1729326342745043
Energy: 1.1726299782156664
Energy: 1.172932634279404
Energy: 1.3505162990642683
Energy: 1.4308922328009561
Energy: 1.332278659165554
Energy: 1.430892232801936
Energy: 1.1716611457557131
Energy: 1.1736247357532896
Energy: 1.332874857408787
Energy: 1.1736247357544478
Energy: 1.1716697590274416
Energy: 1.1728085322012747
Energy: 1.1727113893281937
Energy: 1.1728085322010744

minimum gb energy = 1.1134727957006418 eV
minimum distance =  2.29278015560697 Angstroms
sigma value = 25


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

Energy: 1.4488399199796913
Energy: 1.0715979230639767
Energy: 1.2219625976330892
Energy: 1.2226608731858748
Energy: 1.0748048707470939
Energy: 1.0645070724450723
Energy: 1.0763628682332091
Energy: 1.0645070724466028
Energy: 1.0754739845071535
Energy: 1.0643722936273534
Energy: 1.281470854991147
Energy: 1.0643722936273534
Energy: 1.0753400406961815
Energy: 1.0793541920030532
Energy: 1.298811244816345
Energy: 1.0793541920030532
Energy: 1.3209890660527412
Energy: 1.0917037211583442
Energy: 1.1020288773441385
Energy: 1.0917037211568137
Energy: 1.3006652167911896
Energy: 1.029503528902792
Energy: 1.101000551616144
Energy: 1.029503528902792
Energy: 1.3022373571415118
Energy: 1.0323123556431941
Energy: 1.101113037629092
Energy: 1.0323123556431941
Energy: 1.2176348468808498
Energy: 1.3983586135779382
Energy: 1.2191054735983076
Energy: 1.3983586135764077
Energy: 1.1487716739669296
Energy: 1.0022586207143727
Energy: 1.2588933496987076
Energy: 1.0022586207143727
Energy: 1.1396345186633061
Energy: 0.9963033104723218
Energy: 1.27600014338948
Energy: 0.9963033104723218
Energy: 1.1903030333391111
Energy: 1.413900306044092
Energy: 1.2146541051773803
Energy: 1.4139003060425617
Energy: 1.1925589284529765
Energy: 0.985773552265254
Energy: 1.206214105247198
Energy: 0.9857735522637235
Energy: 1.2063859837845097
Energy: 0.9887596029501444
Energy: 1.1924344951430945
Energy: 0.988759602948614
Energy: 1.216778838429774
Energy: 1.4015233253639856
Energy: 1.159481247490945
Energy: 1.4015233253609247
Energy: 1.2754641822263073
Energy: 1.0093954629495356
Energy: 1.1395528796751584
Energy: 1.0093954629495356
Energy: 1.2585981139109128
Energy: 0.9969359204323585
Energy: 1.1744602789905394
Energy: 0.9969359204338889
Energy: 1.1044429335305894
Energy: 1.156363401026697
Energy: 1.1757283544228834
Energy: 1.1563634010251664
Energy: 1.1022361022488087
Energy: 1.0323034902065868
Energy: 1.2633719911791963
Energy: 1.0323034902065868
Energy: 1.100420358638033
Energy: 1.0338996549117512
Energy: 1.3276111225325897
Energy: 1.0338996549117512
Energy: 1.1480370679733691
Energy: 1.0654913623195927
Energy: 1.2267220182614815
Energy: 1.0654913623195927
Energy: 1.322991413650635
Energy: 1.0813277471686182
Energy: 1.0751232381552773
Energy: 1.0813277471686182
Energy: 1.1477755054923982
Energy: 1.064644051452657
Energy: 1.0754428168706158
Energy: 1.0646440514541873
Energy: 1.0760172232239098
Energy: 1.0660119509233201
Energy: 1.0957374702386864
Energy: 1.0660119509248505
Energy: 1.2443735248708732
Energy: 1.23979448875287
Energy: 1.3216134937933945
Energy: 1.239794488755931
Energy: 1.0772733813773085
Energy: 1.0650002214078556
Energy: 1.0766663411183968
Energy: 1.065000221406325
Energy: 1.3502328065837204
Energy: 1.0801455567418554
Energy: 1.0752975424565774
Energy: 1.0801455567433857

minimum gb energy = 0.9857735522637235 eV
minimum distance =  2.29362247056259 Angstroms
sigma value = 41


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

Energy: 1.3264967830119079
Energy: 1.1410547150291455
Energy: 1.1616590626919303
Energy: 1.123189245700482
Energy: 0.9905521933346669
Energy: 0.9530930171236022
Energy: 1.0307263434947744
Energy: 0.9530930171210927
Energy: 0.9932481663492898
Energy: 0.9853463815727579
Energy: 1.1337292797542708
Energy: 0.9853463815740124
Energy: 1.0365122648155476
Energy: 0.9838507768290687
Energy: 1.1748159831966083
Energy: 0.9838507768315781
Energy: 1.1470273289335964
Energy: 1.066149268984757
Energy: 1.0109427270623734
Energy: 1.0661492689872663
Energy: 1.1782756256193276
Energy: 0.9528278232276954
Energy: 1.0095197439929064
Energy: 0.9528278232276954
Energy: 1.1811638234709367
Energy: 0.9556211408222971
Energy: 1.0319837144070072
Energy: 0.9556211408210425
Energy: 1.0735966499465688
Energy: 1.1720001618802038
Energy: 1.1728227440509467
Energy: 1.172000161883968
Energy: 1.0450207468972301
Energy: 0.9207358543511096
Energy: 1.1826697943643572
Energy: 0.9207358543523644
Energy: 1.0431570807180457
Energy: 0.9193792786207354
Energy: 1.1837891014899262
Energy: 0.9193792786207354
Energy: 1.1170728420601252
Energy: 1.1528422162357594
Energy: 1.111433235862811
Energy: 1.1528422162370142
Energy: 1.1549250896664005
Energy: 0.9037024521801401
Energy: 1.0822315430180898
Energy: 0.9037024521763762
Energy: 1.1267061179391564
Energy: 0.9061806009492633
Energy: 1.0771727765147736
Energy: 0.9061806009505179
Energy: 1.1007926376503623
Energy: 0.8970966902550072
Energy: 1.1054918171300299
Energy: 0.8970966902562617
Energy: 1.121067275185127
Energy: 0.9066860960744556
Energy: 1.1146481163796058
Energy: 0.9066860960732008
Energy: 1.1173528414192597
Energy: 0.9035148120509126
Energy: 1.1014344744459357
Energy: 0.9035148120496578
Energy: 1.0762202808376382
Energy: 0.904008698981515
Energy: 1.105150479213927
Energy: 0.9040086989802604
Energy: 1.0799663364394563
Energy: 0.9048509472912141
Energy: 1.169649788116573
Energy: 0.9048509472937233
Energy: 1.1175386021670146
Energy: 0.9036360048287464
Energy: 1.1564674126922025
Energy: 0.903636004823728
Energy: 1.108458798005402
Energy: 0.9207941152875806
Energy: 1.056263295677667
Energy: 0.9207941152925991
Energy: 1.1751256999477
Energy: 0.9189296903139567
Energy: 1.0466509686668892
Energy: 0.9189296903164659
Energy: 1.170081334504272
Energy: 0.9272060683311395
Energy: 1.1229225036527812
Energy: 0.927206068329885
Energy: 1.0508735258354898
Energy: 0.9517202249695527
Energy: 1.0740696845534083
Energy: 0.9517202249670434
Energy: 1.009796609287179
Energy: 0.9516682485246679
Energy: 1.173666320892285
Energy: 0.9516682485209041
Energy: 1.0107952044348771
Energy: 0.9541616171640612
Energy: 1.1269792517615047
Energy: 0.9541616171665704
Energy: 1.2067972871822814
Energy: 0.9852640252289394
Energy: 1.0365241820879132
Energy: 0.9852640252276847
Energy: 1.2068783398061134
Energy: 1.058439604977642
Energy: 1.0374036591178375
Energy: 1.0584396049839153
Energy: 1.0104743206042581
Energy: 0.9888734246273732
Energy: 0.9945320159515052
Energy: 0.988873424611063
Energy: 1.0327360517879127
Energy: 0.9842440611550537
Energy: 1.2050333725263014
Energy: 0.9842440611563082
Energy: 0.9934206843879736
Energy: 0.9848263582477093
Energy: 1.2041201127179173
Energy: 0.9848263582477093
Energy: 1.034750454176163
Energy: 0.9886850723914153
Energy: 0.997903936045255
Energy: 0.9886850723876515
Energy: 1.2353641830812059
Energy: 1.059066485165832
Energy: 1.034956710394948
Energy: 1.0590664851708504

minimum gb energy = 0.8970966902550072 eV
minimum distance =  2.2642229366478 Angstroms
sigma value = 15


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

Energy: 1.1590602653387385
Energy: 1.0282597833356208
Energy: 1.0659758960822188
Energy: 1.0863909625610901
Energy: 0.9203224961567615
Energy: 1.026657212335659
Energy: 1.0349990233336537
Energy: 1.0266572123377846
Energy: 0.9670903147702101
Energy: 0.9188123289370437
Energy: 0.985466561524158
Energy: 0.9188123289370437
Energy: 0.9784716165420421
Energy: 0.9161289734071929
Energy: 1.0868398589153607
Energy: 0.9161289734082557
Energy: 0.9524564832158309
Energy: 0.8887818293533815
Energy: 0.9366211978253571
Energy: 0.8887818293565699
Energy: 1.0894613154714532
Energy: 0.8886559595656605
Energy: 0.9427321341799726
Energy: 0.8886559595645976
Energy: 1.0732396524791195
Energy: 0.8910796141745609
Energy: 0.9543750400920124
Energy: 0.8910796141745609
Energy: 0.9937480637681291
Energy: 1.0539096374263428
Energy: 1.0884486790553
Energy: 1.05390963742528
Energy: 0.9645373618955037
Energy: 0.857758567894324
Energy: 1.0788130375973184
Energy: 0.8577585678953868
Energy: 0.983263811965133
Energy: 0.8567178120412886
Energy: 1.076472419701281
Energy: 0.8567178120423514
Energy: 1.0775336571709484
Energy: 1.0022555610866097
Energy: 1.0321663490547834
Energy: 1.0022555610866097
Energy: 1.077403161317004
Energy: 0.8397824682465584
Energy: 0.9917688153757075
Energy: 0.8397824682370411
Energy: 1.0512438034223224
Energy: 0.8422525908975297
Energy: 0.9920937871698616
Energy: 0.8422525908985927
Energy: 1.014710450652484
Energy: 0.8309122967650854
Energy: 1.0724509308302657
Energy: 0.8309122967576454
Energy: 1.0255233612900891
Energy: 0.8320776311355512
Energy: 1.072071995312857
Energy: 0.8320776311323627
Energy: 1.0174289333834956
Energy: 0.8367533392459716
Energy: 1.0187907665779252
Energy: 0.8367533392512859
Energy: 1.032230688472619
Energy: 0.8263898159658007
Energy: 1.0128053994669335
Energy: 0.8263898159668636
Energy: 1.0508711907416544
Energy: 0.8272743430480944
Energy: 1.051914801059093
Energy: 0.8272743430512829
Energy: 1.013687113741514
Energy: 0.8264370350000808
Energy: 1.049734259346802
Energy: 0.8264370350000808
Energy: 1.0188697109477467
Energy: 0.8375475154746672
Energy: 1.0112499712792176
Energy: 0.8375475154640388
Energy: 1.0713513259167549
Energy: 0.8319731716927168
Energy: 1.0263080346014775
Energy: 0.8319731716927168
Energy: 1.072510693793572
Energy: 0.8305243489850651
Energy: 1.0142685832461416
Energy: 0.8305243489840023
Energy: 0.9911002971443785
Energy: 0.8429605763269759
Energy: 1.014486961943287
Energy: 0.8429605763216618
Energy: 0.9924447241558034
Energy: 0.8445624567603338
Energy: 1.0773102037367854
Energy: 0.8445624567582081
Energy: 1.0329072016099288
Energy: 0.9974231263478547
Energy: 1.0789228876938146
Energy: 0.9974231263531691
Energy: 1.0243865452540533
Energy: 0.856837808878329
Energy: 0.9744039791141974
Energy: 0.8568378088878946
Energy: 1.072131616788379
Energy: 0.8588195359718647
Energy: 0.9639831851659044
Energy: 0.8588195359729275
Energy: 1.0877205475924983
Energy: 1.0566099084792846
Energy: 0.9927813345654334
Energy: 1.056609908478222
Energy: 0.9707250361857057
Energy: 0.8867718326788909
Energy: 1.0795684000146564
Energy: 0.8867718326714512
Energy: 0.9412350282859641
Energy: 0.8877735443854634
Energy: 1.0817370295696622
Energy: 0.8877735443822747
Energy: 0.9370308193995444
Energy: 0.9575209623037355
Energy: 1.1218049320807488
Energy: 0.9575209623047983
Energy: 1.0793088794175365
Energy: 0.9172325661656047
Energy: 0.9607884011083531
Energy: 0.9172325661719818
Energy: 0.9569421254295185
Energy: 0.9169922951028454
Energy: 0.9561256849464229
Energy: 0.9169922951039083
Energy: 0.9386840742928434
Energy: 0.8918062467093465
Energy: 0.9557827315521447
Energy: 0.8918062467061579
Energy: 1.0639230059147053
Energy: 1.0316708193585462
Energy: 0.9920051168143431
Energy: 1.0316708193585462
Energy: 0.9669977635230538
Energy: 0.9195874760864757
Energy: 0.9522542129222502
Energy: 0.9195874760864757
Energy: 0.9665293770665403
Energy: 0.9188999486210246
Energy: 0.9568829284515536
Energy: 0.9188999486220875

minimum gb energy = 0.8263898159658007 eV
minimum distance =  2.2900825740798 Angstroms
sigma value = 85


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

Energy: 1.091331689352085
Energy: 0.8011358058244356
Energy: 0.918557630718222
Energy: 0.927279877482746
Energy: 0.7983857065932287
Energy: 0.8869537033880235
Energy: 0.9001637080920042
Energy: 0.8869537033889452
Energy: 0.8069972688152914
Energy: 0.8066036360453952
Energy: 0.8678268691274635
Energy: 0.8066036360453952
Energy: 0.8117950375923175
Energy: 0.8068143855794595
Energy: 0.9506066846899321
Energy: 0.8068143855794595
Energy: 0.8309019799322609
Energy: 0.8676774074619701
Energy: 0.8266724550862338
Energy: 0.8676774074619701
Energy: 0.9072633514397874
Energy: 0.7759236895609904
Energy: 0.8255514484217956
Energy: 0.7759236895609904
Energy: 0.9048639642215738
Energy: 0.7757619603605659
Energy: 0.8304492854337606
Energy: 0.7757619603605659
Energy: 0.8795380781056384
Energy: 0.9388022773594441
Energy: 0.8518211489852121
Energy: 0.9388022773594441
Energy: 0.8728952516381359
Energy: 0.7581183769873332
Energy: 0.9140865180820523
Energy: 0.7581183769873332
Energy: 0.8821509402230986
Energy: 0.7579635546627128
Energy: 0.9580719363810345
Energy: 0.7579635546645566
Energy: 0.9286141984716945
Energy: 0.7516226613682951
Energy: 0.9153061749412864
Energy: 0.7516226613692168
Energy: 0.9657880834423794
Energy: 0.7512620484071061
Energy: 0.8913172286806397
Energy: 0.7512620484061843
Energy: 0.9195419210189062
Energy: 0.7527334186727729
Energy: 0.8988615096464811
Energy: 0.7527334186709504
Energy: 0.9200759645949403
Energy: 0.7497471044867811
Energy: 0.9689998738099653
Energy: 0.7497471044849374
Energy: 0.9219668232751222
Energy: 0.7499533023626508
Energy: 0.9669415141075952
Energy: 0.7499533023626508
Energy: 0.9091283531955682
Energy: 0.750194776327053
Energy: 0.9241476427023472
Energy: 0.750194776327053
Energy: 0.9803019574266902
Energy: 0.7509264845165537
Energy: 0.9246351447172183
Energy: 0.7509264845165537
Energy: 0.9914826830198473
Energy: 0.7511780255119774
Energy: 0.9522461789817437
Energy: 0.7511780255119774
Energy: 0.9258978176464271
Energy: 0.7514434168265646
Energy: 0.9161908901500609
Energy: 0.7514434168274865
Energy: 0.9259296734949898
Energy: 0.7508095267139807
Energy: 0.9757407755975631
Energy: 0.7508095267149024
Energy: 0.9756499376236162
Energy: 0.7514508072933207
Energy: 0.97952981667032
Energy: 0.7514508072933207
Energy: 0.9755458127716168
Energy: 0.7511097610786249
Energy: 0.9273353093746185
Energy: 0.7511097610749377
Energy: 0.9404085612661612
Energy: 0.7512641348549077
Energy: 0.9261993785453931
Energy: 0.7512641348549077
Energy: 0.9529043628372852
Energy: 0.7515177257960259
Energy: 0.983460658548495
Energy: 0.7515177257969479
Energy: 0.9241943098546277
Energy: 0.9272505185452425
Energy: 0.98405082230226
Energy: 0.9272505185452425
Energy: 0.9688535949365635
Energy: 0.7508662824045245
Energy: 0.9195437694724492
Energy: 0.7508662824017592
Energy: 0.9738055405705951
Energy: 0.7508478336423035
Energy: 0.9228678425245344
Energy: 0.7508478336432252
Energy: 0.9823433861040627
Energy: 0.897662120852733
Energy: 0.9188998264160854
Energy: 0.897662120852733
Energy: 0.8954679847927657
Energy: 0.7511472696997713
Energy: 0.9658227337996438
Energy: 0.7511472697025369
Energy: 0.9070018055496417
Energy: 0.7527268744922359
Energy: 0.9225463496094318
Energy: 0.7527268744903921
Energy: 0.9152172443387352
Energy: 0.7574374842913582
Energy: 0.9293097769355572
Energy: 0.75743748429228
Energy: 0.9583984293801108
Energy: 0.7575216769549061
Energy: 0.8798823325162921
Energy: 0.7575216769539843
Energy: 0.8501394807255847
Energy: 0.7571834749002587
Energy: 0.8748916932903298
Energy: 0.757183474899337
Energy: 0.8506787347950525
Energy: 0.7742475304842773
Energy: 0.879443589909054
Energy: 0.7742475304861208
Energy: 0.8260115567527614
Energy: 0.7722595054999106
Energy: 0.956308004017677
Energy: 0.7722595054999106
Energy: 0.8258011070691306
Energy: 0.774307320870697
Energy: 0.8307971826378328
Energy: 0.7743073208725405
Energy: 0.867090701936444
Energy: 0.8888416105367617
Energy: 0.90675582956182
Energy: 0.8888416105376836
Energy: 0.8397191833834692
Energy: 0.8017978658910507
Energy: 0.8080306147031767
Energy: 0.8017978658919725
Energy: 0.8269516650893128
Energy: 0.7970606626372505
Energy: 0.807231139777833
Energy: 0.7970606626372505
Energy: 0.8981342351688953
Energy: 0.8884662474379525
Energy: 0.8737837853489764
Energy: 0.8884662474388534
Energy: 0.8070520031787667
Energy: 0.8063025779512722
Energy: 0.9013226333534411
Energy: 0.8063025779503504
Energy: 0.8077317647872991
Energy: 0.7745328054416135
Energy: 0.8074568258897359
Energy: 0.7745328054425354
Energy: 0.883638137086945
Energy: 0.8079450216635685
Energy: 0.8071931804025279
Energy: 0.8079450216626467

minimum gb energy = 0.7497471044849374 eV
minimum distance =  2.28948701064776 Angstroms
sigma value = 113


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

Energy: 0.015159623334973367
Energy: 0.015435960569423502
Energy: 1.0893527101761915
Energy: 0.1063332098479074
Energy: 0.015966594989494483
Energy: 0.10611483377075175
Energy: 0.0777174937455207
Energy: 0.10611483377075175
Energy: 0.07512041688644036
Energy: 0.10725678651051387
Energy: 0.01583483173166051
Energy: 0.10725678650980522
Energy: 0.07501352965189573
Energy: 0.10722779130210866
Energy: 0.016909946926753447
Energy: 0.10722779130277793
Energy: 0.07611602278878504
Energy: 0.4550765789544844
Energy: 0.07558927795593579
Energy: 0.45507657895519305
Energy: 0.015742354593273257
Energy: 0.10718428375582906
Energy: 0.0750486922007459
Energy: 0.10718428375512043

minimum gb energy = 0.015159623334973367 eV
minimum distance =  2.45022485199793 Angstroms
sigma value = 1