Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_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=2.8510001525282864
cohesive_energy=4.290337035123411
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: 0.01332933859586535
Energy: 0.0137816382531607
Energy: 3.0698080046159735
Energy: 0.0137816382531607
Energy: 0.0137816382531607
Energy: 0.013568478032013647
Energy: 0.5231905518216696
Energy: 0.013568478032013647
Energy: 3.0698080046159735
Energy: 0.5231905518216696
Energy: 0.5231943011559881
Energy: 0.5231905518216696
Energy: 0.0137816382531607
Energy: 0.013568478032013647
Energy: 0.5231905518216696
Energy: 0.013568478031033244

minimum gb energy = 0.01332933859586535 eV
minimum distance =  2.46620034889848 Angstroms
sigma value = 1


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

Energy: 1.3929408354937207
Energy: 0.9019307558335524
Energy: 2.472636028566947
Energy: 0.9019307558335524
Energy: 1.41355404855958
Energy: 0.8655562353254115
Energy: 0.906213859511781
Energy: 0.8655562353266345
Energy: 1.637735770286095
Energy: 0.9048781245589976
Energy: 0.8858984270987178
Energy: 0.9048781245614437
Energy: 1.221656750932299
Energy: 0.8670135450193592
Energy: 0.9480574335981248
Energy: 0.8670135450205823
Energy: 1.218343666959694
Energy: 0.8671584813093526
Energy: 1.2651426420249534
Energy: 0.8671584813093526
Energy: 1.4269227759256606
Energy: 0.8712128988257617
Energy: 0.8711658103972779
Energy: 0.8712128988269845
Energy: 1.0527186008744418
Energy: 0.8712912322717647
Energy: 0.8711306244468054
Energy: 0.8712912322729878
Energy: 0.868278906942878
Energy: 0.8691510573195657
Energy: 1.265046725466408
Energy: 0.8691510573195657
Energy: 1.0616255504285548
Energy: 0.8697378381932056
Energy: 1.223896240340067
Energy: 0.8697378381919826
Energy: 1.4736031147874005
Energy: 0.8711764755447132
Energy: 1.0557252398352521
Energy: 0.8711764755447132
Energy: 0.8836297867717455
Energy: 0.9297006098610138
Energy: 1.225915024326517
Energy: 0.9297006098610138
Energy: 0.8837587840760843
Energy: 0.8836980869105143
Energy: 1.877079935722902
Energy: 0.8836980869105143
Energy: 1.0718450192531748
Energy: 0.9296721297296928
Energy: 1.221694063929223
Energy: 0.9296721297284698
Energy: 0.9040590777272771
Energy: 0.8660885563460098
Energy: 1.2212567008777624
Energy: 0.8660885563460098
Energy: 0.903421132579138
Energy: 0.8697466459811151
Energy: 1.4160178474865217
Energy: 0.8697466459811151
Energy: 0.9031265807739205
Energy: 0.8699797705360837
Energy: 1.4159274240047717
Energy: 0.8699797705348606
Energy: 0.9033246586090792
Energy: 0.8654556072043263
Energy: 1.2209754397679484
Energy: 0.8654556072043263
Energy: 1.0719392657713913
Energy: 0.9286950372442899
Energy: 1.220741368483798
Energy: 0.9286950372430669
Energy: 0.87696006056142
Energy: 0.8837028173012119
Energy: 1.930603321127102
Energy: 0.8837028172999891
Energy: 0.88368389511503
Energy: 0.9294136577504362
Energy: 1.055818465512187
Energy: 0.9294136577504362
Energy: 1.4757729694377797
Energy: 0.8713270653919545
Energy: 1.0587098428197834
Energy: 0.8713270653931775
Energy: 1.0605873290214278
Energy: 0.8669588678408315
Energy: 1.2238544784934264
Energy: 0.8669588678420546
Energy: 1.0631070921528498
Energy: 0.8692564483606109
Energy: 1.0657123610324457
Energy: 0.8692564483606109
Energy: 1.2378313724995775
Energy: 0.8712225569382526
Energy: 0.8711481476691796
Energy: 0.8712225569370297
Energy: 1.4268150652663902
Energy: 0.8712900537824759
Energy: 0.8711840082675152
Energy: 0.8712900537824759
Energy: 1.2184952639287117
Energy: 0.867628726082448
Energy: 1.2651746571145426
Energy: 0.867628726082448
Energy: 1.219119440614842
Energy: 0.8668234226683967
Energy: 0.9057033990507957
Energy: 0.8668234226672293
Energy: 1.637858351512136
Energy: 0.9048870141311031
Energy: 0.886554739045908
Energy: 0.9048870141323261
Energy: 1.4136804643228658
Energy: 0.8655552184497315
Energy: 0.9070503741658053
Energy: 0.8655552184497315
Energy: 1.2314049739293018
Energy: 0.8692905719844146
Energy: 0.904905037874762
Energy: 0.8692905719844146
Energy: 1.4155643925399863
Energy: 0.8656730077152963
Energy: 0.8949040283374398
Energy: 0.8656730077165192
Energy: 1.426245723371328
Energy: 0.8823678566489873
Energy: 0.886446081054744
Energy: 0.8823678566478198
Energy: 1.2183590510606441
Energy: 0.8671553742871727
Energy: 0.9484698862318603
Energy: 0.86715537428834

minimum gb energy = 0.8654556072043263 eV
minimum distance =  2.32443799619017 Angstroms
sigma value = 1


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

Energy: 1.5203649656679477
Energy: 0.9141935523787913
Energy: 2.5344924683356758
Energy: 0.9141935523787913
Energy: 1.2920551472402084
Energy: 0.9639608174695913
Energy: 0.9940768805437382
Energy: 0.9639608174695913
Energy: 1.3168446864576473
Energy: 0.9364877989861466
Energy: 0.9366990646812591
Energy: 0.9364877989861466
Energy: 0.8943895597721426
Energy: 0.9158023004410756
Energy: 0.9894960656429809
Energy: 0.9158023004410756
Energy: 0.8944931050512573
Energy: 0.9158044255188748
Energy: 1.3959701750553102
Energy: 0.9158044255188748
Energy: 1.3167461214158211
Energy: 0.9159847148759797
Energy: 0.9159627178830401
Energy: 0.9159847148759797
Energy: 0.9391795113288401
Energy: 0.9643337938536606
Energy: 0.9159646476693278
Energy: 0.9643337938536606
Energy: 0.9159721883238685
Energy: 0.9157741834161334
Energy: 1.395715368247791
Energy: 0.9157741834161334
Energy: 0.9375175301058691
Energy: 1.057079200525862
Energy: 1.3194312341630452
Energy: 1.057079200525862
Energy: 0.9896108172933861
Energy: 0.8943465757563803
Energy: 0.8944352001644051
Energy: 0.8943465757563803
Energy: 0.9171149168239179
Energy: 0.9883643443906448
Energy: 1.3199201909489404
Energy: 0.9883643443892504
Energy: 0.916645033286564
Energy: 0.9158168834414556
Energy: 1.7906124455258867
Energy: 0.9158168834414556
Energy: 0.9900110553803726
Energy: 0.8940813257189817
Energy: 1.2901954163554867
Energy: 0.8940813257189817
Energy: 0.9900110553789782
Energy: 0.8940037618233649
Energy: 1.2902454453736236
Energy: 0.8940037618233649
Energy: 0.916572944345156
Energy: 0.9158159258616033
Energy: 1.7879161937421166
Energy: 0.9158159258616033
Energy: 0.9173385112498604
Energy: 0.9879909271797176
Energy: 1.3199353076161011
Energy: 0.9879909271797176
Energy: 0.9896108172919916
Energy: 0.8943427294249648
Energy: 0.8944534229999259
Energy: 0.8943427294249648
Energy: 0.9377646351489654
Energy: 0.894712215283752
Energy: 1.319453843101643
Energy: 0.894712215283752
Energy: 0.9159744731428279
Energy: 0.9157799499291426
Energy: 1.395715368245002
Energy: 0.9157799499277481
Energy: 0.9390885626335232
Energy: 0.9643313820870217
Energy: 0.9159559232970964
Energy: 0.9643313820870217
Energy: 1.3167682692504885
Energy: 0.9160110258928524
Energy: 0.9159522600432789
Energy: 0.9160110258928524
Energy: 0.8943693351812547
Energy: 0.9158923869526946
Energy: 1.395970175058099
Energy: 0.9158923869526946
Energy: 0.8942552137325533
Energy: 0.9157517135792002
Energy: 0.9894960656429809
Energy: 0.9157517135792002
Energy: 1.3168548687785029
Energy: 0.9365126838944074
Energy: 0.9366738185017076
Energy: 0.9365126838944074
Energy: 1.2920698012451703
Energy: 0.9638670622683115
Energy: 0.9940768805437382
Energy: 0.9638670622683115
Energy: 1.5203649656679477
Energy: 0.9141935523787913
Energy: 2.5344924683356758
Energy: 0.9141935523787913
Energy: 1.2920551472402084
Energy: 0.9639608174695913
Energy: 0.9940768805437382
Energy: 0.9639608174695913
Energy: 1.3168446864576473
Energy: 0.9364877989861466
Energy: 0.9366990646812591
Energy: 0.9364877989875411
Energy: 0.8943895597721426
Energy: 0.9158023004396811
Energy: 0.9894960656443754
Energy: 0.9158023004410756

minimum gb energy = 0.8940037618233649 eV
minimum distance =  2.31285623110761 Angstroms
sigma value = 25


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

Energy: 1.3078696484542442
Energy: 1.0769795917847618
Energy: 2.4860958104666357
Energy: 1.076979591786383
Energy: 1.4093045925966294
Energy: 0.9659866139769822
Energy: 1.0354586985666667
Energy: 0.9659866139786033
Energy: 1.4248998892596598
Energy: 0.9938611896571722
Energy: 0.9938131993500579
Energy: 0.9938611896571722
Energy: 1.220547385249979
Energy: 0.9608339911286825
Energy: 1.0357490496051758
Energy: 0.9608339911286825
Energy: 1.2197893498787953
Energy: 0.9610427018044553
Energy: 1.2293991046647836
Energy: 0.9610427018028342
Energy: 1.4243242562827652
Energy: 0.966139476113763
Energy: 0.9661537053171425
Energy: 0.966139476113763
Energy: 0.9908174705273535
Energy: 0.9606509431302142
Energy: 0.9661619780500111
Energy: 0.9606509431302142
Energy: 0.9696383953282471
Energy: 0.9903115293084912
Energy: 1.4644600484324215
Energy: 0.9903115293084912
Energy: 1.0406497402293138
Energy: 1.0444746529131692
Energy: 1.2119734270476838
Energy: 1.0444746529131692
Energy: 1.0331718202873377
Energy: 0.9550602845317178
Energy: 1.2118091927656325
Energy: 0.9550602845317178
Energy: 1.0546381986682167
Energy: 0.9606112447123563
Energy: 1.4134351128809706
Energy: 0.9606112447139774
Energy: 1.0215402544853736
Energy: 0.9905751700454791
Energy: 1.40561533903501
Energy: 0.9905751700471
Energy: 1.031051442711422
Energy: 0.9550571224361082
Energy: 1.2119570282061716
Energy: 0.9550571224361082
Energy: 1.0380904802479634
Energy: 1.0444229481054987
Energy: 1.2119801910629857
Energy: 1.0444229481054987
Energy: 0.9904478158248047
Energy: 0.9903141462271607
Energy: 1.7712009661608874
Energy: 0.9903141462271607
Energy: 0.9903774217873063
Energy: 0.9606309849868255
Energy: 0.9664082194628109
Energy: 0.9606309849868255
Energy: 1.7474613791423563
Energy: 0.9661878217594757
Energy: 0.9660997357537453
Energy: 0.9661878217594757
Energy: 1.2196038024340998
Energy: 0.9607906883153736
Energy: 1.2295279668188002
Energy: 0.9607906883153736
Energy: 1.2198365002503884
Energy: 0.9607671503300264
Energy: 1.0357196142079672
Energy: 0.9607671503300264
Energy: 1.2025544076875558
Energy: 0.9662021350108577
Energy: 0.9945819806196493
Energy: 0.9662021350108577
Energy: 1.4115046609226038
Energy: 0.966077450088789
Energy: 1.0183443186236825
Energy: 0.9660774500904099
Energy: 1.2219451978447184
Energy: 0.9552884644165336
Energy: 1.0353865310165848
Energy: 0.9552884644165336
Energy: 1.410901935426943
Energy: 1.038030872010545
Energy: 1.0355234498460373
Energy: 1.038030872012166
Energy: 1.5796233941855087
Energy: 1.0027012973321756
Energy: 1.003103361575179
Energy: 1.0027012973321756
Energy: 1.220023742176022
Energy: 0.9609777988196632
Energy: 0.9859952938864117
Energy: 0.9609777988196632

minimum gb energy = 0.9550571224361082 eV
minimum distance =  2.33223346166932 Angstroms
sigma value = 9


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

Energy: 0.9787954305026554
Energy: 0.977837178041073
Energy: 2.590490970495959
Energy: 0.9778371780408972
Energy: 0.9778362525412732
Energy: 1.015916885495871
Energy: 1.0157173220602447
Energy: 1.015916885495871
Energy: 1.064716928290504
Energy: 1.0643146733778006
Energy: 1.06433725252696
Energy: 1.0643146733776248
Energy: 1.0157726982639503
Energy: 1.0158251090592472
Energy: 1.0158360913411413
Energy: 1.0158251090592472
Energy: 1.0159941170185478
Energy: 1.0163750328846661
Energy: 1.0646574860078504
Energy: 1.016375032884842
Energy: 1.735694265966171
Energy: 1.0159195803179244
Energy: 1.0159009995974644
Energy: 1.0159195803179244
Energy: 1.017134007329316
Energy: 1.0161442998039274
Energy: 1.0159502196238674
Energy: 1.0161442998039274
Energy: 1.0158134386770545
Energy: 1.016361934849963
Energy: 1.5504484465072697
Energy: 1.016361934849963
Energy: 1.1938997381191438
Energy: 1.0158040513151523
Energy: 0.9778462549431239
Energy: 1.0158040513151523
Energy: 1.194567984084637
Energy: 0.9777286678979118
Energy: 0.9780742560872453
Energy: 0.9777286678979118
Energy: 1.016423173092553
Energy: 1.0157455477202078
Energy: 1.550955033722021
Energy: 1.0157455477202078
Energy: 1.0990395196926033
Energy: 0.9776693984888064
Energy: 1.0643984736625893
Energy: 0.9776693984890042
Energy: 1.1938138433078525
Energy: 1.015706221011315
Energy: 1.0162309443103064
Energy: 1.015706221011315
Energy: 1.0649029957480456
Energy: 1.0682937515395026
Energy: 1.0649637481682783
Energy: 1.0682937515393047
Energy: 1.0162124632240885
Energy: 1.0157088804624463
Energy: 1.1938138433093908
Energy: 1.0157088804624463
Energy: 1.0643619669896234
Energy: 0.9776288401865527
Energy: 1.0990035211286375
Energy: 0.9776288401861791
Energy: 1.5509669134322688
Energy: 1.0156773697985721
Energy: 1.0164486733885825
Energy: 1.0156773697989678
Energy: 0.9780354519223113
Energy: 0.9777111946816599
Energy: 1.1945679840844392
Energy: 0.9777111946812643
Energy: 0.9778843275045447
Energy: 1.0157425028991651
Energy: 1.1938997381205063
Energy: 1.0157425028989675
Energy: 1.550556507339999
Energy: 1.0161942070488317
Energy: 1.0157938174190215
Energy: 1.0161942070488317
Energy: 1.015921406070162
Energy: 1.016275165098573
Energy: 1.017176629835405
Energy: 1.016275165098573

minimum gb energy = 0.9776288401861791 eV
minimum distance =  2.29950493839467 Angstroms
sigma value = 25


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

Energy: 1.1145149914849293
Energy: 1.071733343573238
Energy: 2.411313153101705
Energy: 1.0717333435734826
Energy: 1.3950371536063106
Energy: 1.1648183611090142
Energy: 1.1322287798688924
Energy: 1.164818361109748
Energy: 1.2435206638097525
Energy: 1.118670847824962
Energy: 1.132009465285575
Energy: 1.1186708478251797
Energy: 1.0825948008070159
Energy: 1.1548006383892269
Energy: 1.0985770840363882
Energy: 1.1548006383889824
Energy: 1.155506312440065
Energy: 1.1647138086086628
Energy: 1.4348465332097853
Energy: 1.16471380860888
Energy: 1.4986293076818638
Energy: 1.1122556975944504
Energy: 1.1122263827757743
Energy: 1.1122556975944504
Energy: 1.2077037179047427
Energy: 1.1549873991604822
Energy: 1.1123946301317196
Energy: 1.1549873991597757
Energy: 1.155347348586116
Energy: 1.1856765665191784
Energy: 1.4365165888061777
Energy: 1.185676566518934
Energy: 1.186080160239182
Energy: 1.1122703218224221
Energy: 1.1120736812701386
Energy: 1.112270321821933
Energy: 1.230274150162327
Energy: 1.1125027574483306
Energy: 1.112119798126505
Energy: 1.1125027574483306
Energy: 1.1547613256567797
Energy: 1.1548559037965032
Energy: 1.45904260741254
Energy: 1.1548559037972097
Energy: 1.1546310195244316
Energy: 1.112709034205433
Energy: 1.0988556880123825
Energy: 1.112709034204944
Energy: 1.3769724670779795
Energy: 1.0992838231676525
Energy: 1.1198493113696157
Energy: 1.099283823166946
Energy: 1.4099903365450088
Energy: 1.1641540177188199
Energy: 1.244614569149351
Energy: 1.1641540177190643
Energy: 1.4111343194449004
Energy: 1.0571527437154173
Energy: 1.2441617852194853
Energy: 1.0571527437156347
Energy: 1.3952960371284147
Energy: 1.1034998929472437
Energy: 1.0995301011326792
Energy: 1.1034998929474884
Energy: 1.155145723790314
Energy: 1.1122693171754285
Energy: 1.1194694791883475
Energy: 1.1122693171749396

minimum gb energy = 1.0571527437154173 eV
minimum distance =  2.28780809655361 Angstroms
sigma value = 17


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

Energy: 1.5129306821673532
Energy: 1.1315360087542394
Energy: 2.2935633819385863
Energy: 1.1315360087515305
Energy: 1.337667201659387
Energy: 1.1959983258614821
Energy: 1.2332575797942498
Energy: 1.1959983258601279
Energy: 1.3437516541956973
Energy: 1.1750560779808017
Energy: 1.160809338260683
Energy: 1.1750560779808017
Energy: 1.1524342747335732
Energy: 1.1489319256627912
Energy: 1.1996080128608975
Energy: 1.1489319256627912
Energy: 1.1448601005472916
Energy: 1.193446947833142
Energy: 1.381339489741649
Energy: 1.193446947833142
Energy: 1.366273965216337
Energy: 1.1294905464505387
Energy: 1.1717718810725486
Energy: 1.1294905464505387
Energy: 1.2715000086954453
Energy: 1.1518348376816807
Energy: 1.3377679132594809
Energy: 1.1518348376803262
Energy: 1.183348072964476
Energy: 1.149302486828042
Energy: 1.4250995256777401
Energy: 1.149302486828042
Energy: 1.1626065487393906
Energy: 1.1893287240288026
Energy: 1.136575281541337
Energy: 1.1893287240288026
Energy: 1.3465861450945307
Energy: 1.222710267151836
Energy: 1.189419319544678
Energy: 1.222710267151836
Energy: 1.1737645748249577
Energy: 1.173473034940393
Energy: 1.345198233062445
Energy: 1.173473034940393
Energy: 1.1733032527400165
Energy: 1.1896343280239865
Energy: 1.2248238279060553
Energy: 1.1896343280239865
Energy: 1.3590388589657867
Energy: 1.2036253437345745
Energy: 1.2275496604659337
Energy: 1.2036253437345745
Energy: 1.173231334900932
Energy: 1.1736854289732506
Energy: 1.2084896671626855
Energy: 1.1736854289732506
Energy: 1.1735095774573003
Energy: 1.1455130862424596
Energy: 1.3736305375178581
Energy: 1.1455130862411051
Energy: 1.397034976060094
Energy: 1.1894097403855124
Energy: 1.1363534704647462
Energy: 1.1894097403855124
Energy: 1.1786902948132059
Energy: 1.2359392802040292
Energy: 1.1894189708292628
Energy: 1.2359392802040292
Energy: 1.1637963523136459
Energy: 1.2128213932410248
Energy: 1.3478353929184304
Energy: 1.212821393242379
Energy: 1.2402283826494185
Energy: 1.130177324439925
Energy: 1.2572426977661277
Energy: 1.1301773244385707
Energy: 1.3672782073779766
Energy: 1.1298739546190955
Energy: 1.3303458011135705
Energy: 1.1298739546190955
Energy: 1.1489877873409264
Energy: 1.2178458694854852
Energy: 1.398926566546374
Energy: 1.2178458694868088
Energy: 1.1489416941890689
Energy: 1.2403080358048808
Energy: 1.1749309020729615
Energy: 1.2403080358048808
Energy: 1.3785424334919376
Energy: 1.1747975215676818
Energy: 1.175158517757336
Energy: 1.1747975215676818
Energy: 1.3283763312751504
Energy: 1.135807864632489
Energy: 1.26248894453739
Energy: 1.135807864632489
Energy: 1.3285438259567655
Energy: 1.1357333799689968
Energy: 1.2594154051842277
Energy: 1.1357333799689968
Energy: 1.3752500555809035
Energy: 1.1731618521095741
Energy: 1.1729422808268608
Energy: 1.1731618521082197
Energy: 1.1451856593939327
Energy: 1.1897022479862962
Energy: 1.1754419551967974
Energy: 1.1897022479862962
Energy: 1.1493904567261088
Energy: 1.1490567724268312
Energy: 1.403595974009682
Energy: 1.149056772425477
Energy: 1.3141271634794578
Energy: 1.2199132554645837
Energy: 1.3321049082837162
Energy: 1.2199132554632295
Energy: 1.2156677682947232
Energy: 1.1296274241428785
Energy: 1.1695047113274282
Energy: 1.1296274241428785

minimum gb energy = 1.1294905464505387 eV
minimum distance =  2.2868588996729 Angstroms
sigma value = 53


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

Energy: 1.1482120412656145
Energy: 1.148481055766962
Energy: 2.411282077028466
Energy: 1.1484810557678833
Energy: 1.2334701356002846
Energy: 1.150465807109498
Energy: 1.1483276879186257
Energy: 1.1504658071098168
Energy: 1.1484824598291625
Energy: 1.2340313515722143
Energy: 1.2672378992317106
Energy: 1.2340313515722143
Energy: 1.267223085686997
Energy: 1.233842989730053
Energy: 1.1485378942661189
Energy: 1.2338429897297343
Energy: 1.148187996014458
Energy: 1.1496426560777098
Energy: 1.233464449604154
Energy: 1.1496426560783477
Energy: 2.4112820770306276
Energy: 1.148481055766962
Energy: 1.1482120412652956
Energy: 1.1484810557672456
Energy: 1.1483276879183066
Energy: 1.1504658071088605
Energy: 1.2334701355996467
Energy: 1.1504658071098168
Energy: 1.2672378992320292
Energy: 1.2340313515718955
Energy: 1.148482459844115
Energy: 1.2340313515718955
Energy: 1.1485378942486508
Energy: 1.2338429897303365
Energy: 1.267223085686678
Energy: 1.2338429897303365
Energy: 1.233464449604154
Energy: 1.1496426560780286
Energy: 1.148187996014139
Energy: 1.1496426560780286
Energy: 1.1482120412656145
Energy: 1.1484810557672456
Energy: 2.4112820770328245
Energy: 1.1484810557672456
Energy: 1.2334701355999658
Energy: 1.1504658071098168
Energy: 1.1483276879189446
Energy: 1.150465807109498
Energy: 1.1484824598621852
Energy: 1.2340313515722143
Energy: 1.2672378992317106
Energy: 1.2340313515725332

minimum gb energy = 1.148187996014139 eV
minimum distance =  2.27533963702669 Angstroms
sigma value = 9


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

Energy: 1.3556279223815049
Energy: 1.250663213766395
Energy: 2.178459591791998
Energy: 1.250663213766395
Energy: 1.513365113374064
Energy: 1.2408225246777083
Energy: 1.3494821640378096
Energy: 1.240822524676554
Energy: 1.2851180891673204
Energy: 1.2137814550672772
Energy: 1.2138656599791475
Energy: 1.2137814550672772
Energy: 1.2250410719860985
Energy: 1.2346210688960286
Energy: 1.3225841996785983
Energy: 1.2346210688960286
Energy: 1.2786627841193656
Energy: 1.2025726135308097
Energy: 1.5130617055298896
Energy: 1.2025726135308097
Energy: 1.474293159369915
Energy: 1.3259260273544522
Energy: 1.3530259745226225
Energy: 1.325926027353298
Energy: 1.3074185745824491
Energy: 1.2984025146556504
Energy: 1.538670130231699
Energy: 1.2984025146579583
Energy: 1.2026453930945424
Energy: 1.2379718622579239
Energy: 1.28854343971756
Energy: 1.2379718622579239
Energy: 1.2867613173912318
Energy: 1.2140138024750757
Energy: 1.2470017275771654
Energy: 1.2140138024750757
Energy: 1.358557414871915
Energy: 1.2139884585752054
Energy: 1.3067361294824478
Energy: 1.2139884585752054
Energy: 1.221079350000722
Energy: 1.3346503253110742
Energy: 1.4946329958145228
Energy: 1.33465032530992
Energy: 1.5548367387806947
Energy: 1.304425435450894
Energy: 1.2845622460163884
Energy: 1.3044254354497398
Energy: 1.2701300090873253
Energy: 1.2235362102802836
Energy: 1.226077714625523
Energy: 1.2235362102791296
Energy: 1.2772452756257564
Energy: 1.2808527864246915
Energy: 1.3770813479633415
Energy: 1.2808527864246915
Energy: 1.2815030398094314
Energy: 1.2381431062959503
Energy: 1.2235647062205528
Energy: 1.2381431062959503
Energy: 1.5068778365323616
Energy: 1.2234123817090723
Energy: 1.228518608049285
Energy: 1.2234123817102263
Energy: 1.3589624746953723
Energy: 1.2240995419972989
Energy: 1.5745139346311365
Energy: 1.2240995419984528
Energy: 1.2232427064296236
Energy: 1.3369791666078095
Energy: 1.3025954563307942
Energy: 1.3369791666089634
Energy: 1.4816716720807543
Energy: 1.3030749415144076
Energy: 1.2649128743558344
Energy: 1.3030749415155616
Energy: 1.2377990051053767
Energy: 1.2240067534609227
Energy: 1.243114047475617
Energy: 1.2240067534620767
Energy: 1.2019080522995844
Energy: 1.2379346860869411
Energy: 1.4910616838926598
Energy: 1.2379346860880953
Energy: 1.477808593430111
Energy: 1.2023888442199282
Energy: 1.3505721363654581
Energy: 1.202388844221082
Energy: 1.3706389931584058
Energy: 1.3304554244794495
Energy: 1.3528378625223136
Energy: 1.3304554244806035
Energy: 1.2940532254437713
Energy: 1.3246036801524936
Energy: 1.437451184704437
Energy: 1.3246036801524936
Energy: 1.2240020809679877
Energy: 1.2381565810432271
Energy: 1.213507340432266
Energy: 1.2381565810432271
Energy: 1.4494094422222308
Energy: 1.2616530703417563
Energy: 1.2138867965968028
Energy: 1.2616530703440643
Energy: 1.4334788644725687
Energy: 1.1994871147730681
Energy: 1.5158136050881152
Energy: 1.1994871147719142
Energy: 1.3565323236566766
Energy: 1.199569444657784
Energy: 1.5152284494131782
Energy: 1.199569444658938
Energy: 1.4359074553864282
Energy: 1.2615913431376335
Energy: 1.2633205125262557
Energy: 1.2615913431387875
Energy: 1.2238769202222715
Energy: 1.2382127755513757
Energy: 1.2135931944588765
Energy: 1.2382127755513757
Energy: 1.285075284527001
Energy: 1.3231899093370798
Energy: 1.4423795945746833
Energy: 1.3231899093370798
Energy: 1.3706007657136452
Energy: 1.2026226958187303
Energy: 1.3557685911931834
Energy: 1.2026226958198842
Energy: 1.5759715086870636
Energy: 1.202623131373161
Energy: 1.3508756683938734
Energy: 1.202623131374315
Energy: 1.2021210267548403
Energy: 1.238171758830063
Energy: 1.492471988546742
Energy: 1.238171758830063
Energy: 1.2378359322635075
Energy: 1.2240684140676847
Energy: 1.242684870135113
Energy: 1.2240684140676847

minimum gb energy = 1.1994871147719142 eV
minimum distance =  2.25312662487893 Angstroms
sigma value = 73


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

Energy: 1.4062018093813637
Energy: 1.331140572504549
Energy: 2.234701559932852
Energy: 1.3311405725043621
Energy: 1.4336952249489452
Energy: 1.261902191074842
Energy: 1.362396913450082
Energy: 1.2619021910744677
Energy: 1.3126553944890726
Energy: 1.2638448581995065
Energy: 1.1956683548283653
Energy: 1.2638448581993191
Energy: 1.2371494880922573
Energy: 1.2120865680439648
Energy: 1.3259385945696769
Energy: 1.2120865680439648
Energy: 1.3854393874974993
Energy: 1.2121181103342424
Energy: 1.4190028674083064
Energy: 1.2121181103340757
Energy: 1.6211538794773337
Energy: 1.3523647259019866
Energy: 1.1975121632995303
Energy: 1.3523647259017997
Energy: 1.2734747460733362
Energy: 1.3375328219388718
Energy: 1.4663322691553424
Energy: 1.3375328219388718
Energy: 1.2136246616835413
Energy: 1.212085220665505
Energy: 1.3123239740561292
Energy: 1.212085220665505
Energy: 1.4797835934682837
Energy: 1.2638159052470372
Energy: 1.3112360772395144
Energy: 1.2638159052472244
Energy: 1.212174880860193
Energy: 1.2637345018500155
Energy: 1.3159721026245115
Energy: 1.2637345018496406
Energy: 1.2120542488696084
Energy: 1.211948336174817
Energy: 1.5980164648908015
Energy: 1.211948336175004
Energy: 1.5197961946162022
Energy: 1.2121999839555266
Energy: 1.4192923537810422
Energy: 1.212199983955714
Energy: 1.3781805214807479
Energy: 1.212320118518246
Energy: 1.196044630581107
Energy: 1.2123201185180588
Energy: 1.2745887746223288
Energy: 1.3608427919549526
Energy: 1.480344288145538
Energy: 1.3608427919549526
Energy: 1.2365593214174524
Energy: 1.2119631707352094
Energy: 1.2230018916800176
Energy: 1.211963170735043
Energy: 1.3482578824549176
Energy: 1.2637295307155894
Energy: 1.195971579892813
Energy: 1.2637295307154022
Energy: 1.3945865707440748
Energy: 1.1959928512087383
Energy: 1.5963245992898765
Energy: 1.195992851208572
Energy: 1.3954665584947425
Energy: 1.1962698169264776
Energy: 1.5974780728865234
Energy: 1.1962698169266648
Energy: 1.517097312139177
Energy: 1.2639061977679062
Energy: 1.223020943288635
Energy: 1.2639061977680934
Energy: 1.236561987877993
Energy: 1.211986001518388
Energy: 1.1957303400433614
Energy: 1.2119860015180137
Energy: 1.313407422376237
Energy: 1.2372901099999372
Energy: 1.484176736745806
Energy: 1.237290109998647
Energy: 1.378274531091621
Energy: 1.2123835713737399
Energy: 1.1961336282280766
Energy: 1.2123835713740936

minimum gb energy = 1.1956683548283653 eV
minimum distance =  2.25201564432398 Angstroms
sigma value = 7


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

Energy: 1.5313422963390158
Energy: 1.3591359823772609
Energy: 2.2249353720614136
Energy: 1.3591359823772609
Energy: 1.4820320080324354
Energy: 1.2675064427962393
Energy: 1.2734088349252741
Energy: 1.2675064427962393
Energy: 1.2624601838277778
Energy: 1.2314065751711287
Energy: 1.2326033683179756
Energy: 1.2314065751711287
Energy: 1.267517426593808
Energy: 1.1894204898674106
Energy: 1.23188487355309
Energy: 1.1894204898674106
Energy: 1.3484173950585352
Energy: 1.2315590061125437
Energy: 1.188956652816831
Energy: 1.2315590061138384
Energy: 1.7595136610479845
Energy: 1.1893659315406853
Energy: 1.1914835662115095
Energy: 1.1893659315406853
Energy: 1.234274579322442
Energy: 1.2749624820798504
Energy: 1.5452482094618116
Energy: 1.2749624820798504
Energy: 1.19134906629818
Energy: 1.1895609675963403
Energy: 1.3420801519973693
Energy: 1.189560967597635
Energy: 1.5762772095313342
Energy: 1.2318761326352836
Energy: 1.2314154169005076
Energy: 1.2318761326352836
Energy: 1.2315999071039492
Energy: 1.1896222752330146
Energy: 1.2678303246634475
Energy: 1.1896222752330146
Energy: 1.231310514083082
Energy: 1.2319430445555455
Energy: 1.3250745781837414
Energy: 1.2319430445555455
Energy: 1.6824504931023443
Energy: 1.189407806089543
Energy: 1.4599589531625166
Energy: 1.189407806089543
Energy: 1.6671227587837494
Energy: 1.189375775472732
Energy: 1.4632907236000836
Energy: 1.189375775472732
Energy: 1.2318201496808636
Energy: 1.232121951362422
Energy: 1.6079956718481456
Energy: 1.232121951363717
Energy: 1.2314659847450422
Energy: 1.1890924953859898
Energy: 1.2624325290740814
Energy: 1.1890924953859898
Energy: 1.5761835516831977
Energy: 1.3252039547428012
Energy: 1.2708505504452225
Energy: 1.3252039547428012
Energy: 1.1889488947093885
Energy: 1.1894196193991544
Energy: 1.3423077527432816
Energy: 1.1894196193991544
Energy: 1.1891128554120722
Energy: 1.2315552238404963
Energy: 1.5941058130401369
Energy: 1.2315552238404963
Energy: 1.7763809892479236
Energy: 1.1890902999899728
Energy: 1.1889649314949304
Energy: 1.1890902999899728
Energy: 1.342388411612429
Energy: 1.2315837922121022
Energy: 1.1889758143204152
Energy: 1.2315837922121022
Energy: 1.2625756215479027
Energy: 1.2706424279051207
Energy: 1.3502132984373938
Energy: 1.2706424279051207
Energy: 1.2623992794968006
Energy: 1.231628796423834
Energy: 1.2363653475889542
Energy: 1.231628796423834
Energy: 1.4819741739838603
Energy: 1.2636765844060027
Energy: 1.2722360771632597
Energy: 1.2636765844060027
Energy: 1.46165983550672
Energy: 1.1895238721451455
Energy: 1.666616159716545
Energy: 1.1895238721451455
Energy: 1.4596029650517588
Energy: 1.1898887882600198
Energy: 1.264829225960517
Energy: 1.189888788258725
Energy: 1.3243726135287521
Energy: 1.2314482564361737
Energy: 1.2363785450851565
Energy: 1.2314482564361737
Energy: 1.2639662166397108
Energy: 1.1895204765611
Energy: 1.2318802638084607
Energy: 1.1895204765611
Energy: 1.3425082513523137
Energy: 1.2316914912701409
Energy: 1.5134955015547868
Energy: 1.2316914912701409
Energy: 1.3419603443851504
Energy: 1.1890203495759424
Energy: 1.1889511864936704
Energy: 1.1890203495759424
Energy: 1.5501545132779746
Energy: 1.2962054052749978
Energy: 1.5501580156420234
Energy: 1.2962054052762926
Energy: 1.1889444156082472
Energy: 1.1890908896184655
Energy: 1.3419603443838557
Energy: 1.1890908896184655

minimum gb energy = 1.1889444156082472 eV
minimum distance =  2.27345905017289 Angstroms
sigma value = 29


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

Energy: 1.063921258957416
Energy: 1.1505883260547844
Energy: 2.286560437617273
Energy: 1.1505883260547844
Energy: 1.5365231528958685
Energy: 1.1426916135143974
Energy: 1.148634327170866
Energy: 1.1426916135143974
Energy: 1.3750514171161194
Energy: 1.115650207074247
Energy: 1.116847606146457
Energy: 1.115650207074247
Energy: 1.5843744179732653
Energy: 1.1506994950578489
Energy: 1.1160377798682226
Energy: 1.150699495058275
Energy: 1.6138726618810062
Energy: 1.116217955138326
Energy: 1.115526547560268
Energy: 1.116217955138326
Energy: 1.3750733080778461
Energy: 1.1166438930051832
Energy: 1.1154248903024835
Energy: 1.1166438930056344
Energy: 1.5364879595501375
Energy: 1.1157253783200818
Energy: 1.769826319304265
Energy: 1.115725378320533
Energy: 1.0630739219827579
Energy: 1.1171115648784853
Energy: 1.765382207420312
Energy: 1.1171115648789363
Energy: 1.5709477632220537
Energy: 1.1488266859455916
Energy: 1.1490491614404932
Energy: 1.1488266859460423

minimum gb energy = 1.0630739219827579 eV
minimum distance =  2.32820985790667 Angstroms
sigma value = 5


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

Energy: 1.325305708722432
Energy: 1.1948401253605072
Energy: 2.038792897351559
Energy: 1.1948401253605072
Energy: 1.3166894522750063
Energy: 1.1659069249141474
Energy: 1.278720532023068
Energy: 1.1659069249129246
Energy: 1.2181138634640485
Energy: 1.2227027952011094
Energy: 1.2267019893870486
Energy: 1.2227027952011094
Energy: 1.2180136704535574
Energy: 1.2268360649702346
Energy: 1.3263768797532818
Energy: 1.2268360649714576
Energy: 1.155850504489509
Energy: 1.2206248898997643
Energy: 1.1964924795189669
Energy: 1.2206248898985412
Energy: 1.295087428069624
Energy: 1.2493340746850008
Energy: 1.193587895212086
Energy: 1.2493340746850008
Energy: 1.3061590004893076
Energy: 1.207037904954675
Energy: 1.344852712822358
Energy: 1.207037904955898
Energy: 1.3089771186660921
Energy: 1.2073360115156495
Energy: 1.4650274871547084
Energy: 1.2073360115156495
Energy: 1.4950612175125613
Energy: 1.1844941827589448
Energy: 1.2998449443970388
Energy: 1.1844941827589448
Energy: 1.4111507837388584
Energy: 1.1846043982018404
Energy: 1.3023210198114346
Energy: 1.1846043982030634
Energy: 1.2277655145852275
Energy: 1.2233570562349947
Energy: 1.256290660343654
Energy: 1.2233570562349947
Energy: 1.2283222091320358
Energy: 1.2224953238754268
Energy: 1.1830806931576026
Energy: 1.2224953238754268
Energy: 1.3337766521253633
Energy: 1.2652027740384266
Energy: 1.1814434718362374
Energy: 1.2652027740372034
Energy: 1.181568950812085
Energy: 1.2209322980195272
Energy: 1.1814988548741743
Energy: 1.2209322980183042
Energy: 1.2029749162749628
Energy: 1.3864927026065046
Energy: 1.422166014747555
Energy: 1.386492702605282
Energy: 1.5393961387616353
Energy: 1.2068469725588162
Energy: 1.2988013100420503
Energy: 1.2068469725575934
Energy: 1.344579852525307
Energy: 1.1860389616290952
Energy: 1.42305845238595
Energy: 1.1860389616290952
Energy: 1.2094396858270495
Energy: 1.208992080795024
Energy: 1.4708772972628887
Energy: 1.208992080795024
Energy: 1.307349378400355
Energy: 1.2004257840105703
Energy: 1.1841558987939016
Energy: 1.2004257840093473
Energy: 1.218063907674454
Energy: 1.2333759115601592
Energy: 1.1965731409997586
Energy: 1.2333759115601592
Energy: 1.2192655093853402
Energy: 1.2266029601443786
Energy: 1.255744125824608
Energy: 1.2266029601443786
Energy: 1.309606790997798
Energy: 1.220476018394131
Energy: 1.2136751115625086
Energy: 1.220476018394131
Energy: 1.2180884839615034
Energy: 1.2222376501041323
Energy: 1.2142676467902553
Energy: 1.2222376501029095
Energy: 1.4295588749644559
Energy: 1.1825604697873666
Energy: 1.36713186616478
Energy: 1.1825604697861436
Energy: 1.4266837800854273
Energy: 1.1829608401368903
Energy: 1.657562913934966
Energy: 1.182960840138113
Energy: 1.3345636882711494
Energy: 1.2206075377772343
Energy: 1.2138011410532608
Energy: 1.2206075377747883
Energy: 1.2647058595377687
Energy: 1.2214632119641673
Energy: 1.2142475669855586
Energy: 1.2214632119641673
Energy: 1.2641986925352164
Energy: 1.2275626452672257
Energy: 1.3684610211249342
Energy: 1.2275626452660031
Energy: 1.219866089276067
Energy: 1.2229881959979214
Energy: 1.1941272328822676
Energy: 1.2229881959954754
Energy: 1.3483628461260277
Energy: 1.3241934026883377
Energy: 1.256498378608921
Energy: 1.3241934026895605
Energy: 1.256229734848854
Energy: 1.2096480115904522
Energy: 1.3418974784916073
Energy: 1.2096480115904522
Energy: 1.3061446617482597
Energy: 1.1720783956928422
Energy: 1.3073306329698466
Energy: 1.1720783956928422
Energy: 1.6548869729711801
Energy: 1.18677372908856
Energy: 1.2984610339800846
Energy: 1.18677372908856

minimum gb energy = 1.155850504489509 eV
minimum distance =  2.24255299477213 Angstroms
sigma value = 1


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

Energy: 1.310186826070894
Energy: 1.1823038243656663
Energy: 2.0569044042487232
Energy: 1.1823038243656663
Energy: 1.1867962874390605
Energy: 1.1512866324872801
Energy: 1.281302740497359
Energy: 1.1512866324872801
Energy: 1.2820466124089571
Energy: 1.2071658973367494
Energy: 1.3606233626041653
Energy: 1.2071658973367494
Energy: 1.2136792338750746
Energy: 1.2063963724094613
Energy: 1.2230318010361922
Energy: 1.2063963724094613
Energy: 1.1686548472426255
Energy: 1.147528745913217
Energy: 1.1679966448526495
Energy: 1.147528745911526
Energy: 1.1669042496327422
Energy: 1.1773305459100736
Energy: 1.1676635150348798
Energy: 1.1773305459100736
Energy: 1.31920172256518
Energy: 1.2007704748407435
Energy: 1.3689609391032616
Energy: 1.2007704748424344
Energy: 1.3190656276420396
Energy: 1.200713794772996
Energy: 1.4171949366202197
Energy: 1.200713794772996
Energy: 1.2968316556106134
Energy: 1.147712560330446
Energy: 1.1719080740288081
Energy: 1.147712560330446
Energy: 1.2968316556106134
Energy: 1.1476188198824844
Energy: 1.1717273912336321
Energy: 1.1476188198824844
Energy: 1.3195034076076417
Energy: 1.2009113346983336
Energy: 1.4171949366219108
Energy: 1.2009113347000246
Energy: 1.3192887494917516
Energy: 1.2006495982963088
Energy: 1.3689609391032616
Energy: 1.2006495982963088
Energy: 1.167169376261322
Energy: 1.22941786362504
Energy: 1.1679324661724846
Energy: 1.229417863626731
Energy: 1.1687755319892215
Energy: 1.1475985336705798
Energy: 1.1677694594590098
Energy: 1.1475985336705798
Energy: 1.1876386033865656
Energy: 1.2056569258503331
Energy: 1.3338617646677067
Energy: 1.2056569258503331
Energy: 1.2820466124089571
Energy: 1.2071804519293294
Energy: 1.359780672070522
Energy: 1.2071804519293294
Energy: 1.240966647415715
Energy: 1.1497285523230714
Energy: 1.2221769085056813
Energy: 1.1497285523213805
Energy: 1.310186826070894
Energy: 1.1823038243656663
Energy: 2.0569044042470317
Energy: 1.1823038243656663
Energy: 1.1867962874390605
Energy: 1.1512866324872801
Energy: 1.281302740497359
Energy: 1.1512866324872801
Energy: 1.2820466124089571
Energy: 1.2071658973367494
Energy: 1.3606233626041653
Energy: 1.2071658973367494
Energy: 1.2136792338750746
Energy: 1.2063963724094613
Energy: 1.2230318010361922
Energy: 1.2063963724077704
Energy: 1.1686548472426255
Energy: 1.147528745913217
Energy: 1.1679966448526495
Energy: 1.147528745911526
Energy: 1.1669042496344333
Energy: 1.1773305459117647
Energy: 1.1676635150348798
Energy: 1.1773305459100736
Energy: 1.3192017225668708
Energy: 1.2007704748407435
Energy: 1.3689609391032616
Energy: 1.2007704748407435

minimum gb energy = 1.147528745911526 eV
minimum distance =  2.22901293582883 Angstroms
sigma value = 17


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

Energy: 1.3792679266636683
Energy: 1.180421632107224
Energy: 1.933557763244618
Energy: 1.1804216321061787
Energy: 1.2519359078443324
Energy: 1.1831319586663305
Energy: 1.2598102105123425
Energy: 1.1831319586673756
Energy: 1.1942852956430374
Energy: 1.1837730438413536
Energy: 1.2029624396461596
Energy: 1.1837730438413536
Energy: 1.184860676686304
Energy: 1.1890859169637644
Energy: 1.342716975858142
Energy: 1.1890859169637644
Energy: 1.1921309376263212
Energy: 1.179287684789415
Energy: 1.2018810992765323
Energy: 1.17928768479046
Energy: 1.225380777772869
Energy: 1.2058394360250217
Energy: 1.2021997018643436
Energy: 1.2058394360250217
Energy: 1.1931193496523846
Energy: 1.1904994202674684
Energy: 1.1688294315321741
Energy: 1.1904994202685135
Energy: 1.191933357376046
Energy: 1.1903758083118672
Energy: 1.2060170833812747
Energy: 1.1903758083129123
Energy: 1.408356196799318
Energy: 1.1684633494090604
Energy: 1.3552059434841623
Energy: 1.1684633494101055
Energy: 1.445336554258447
Energy: 1.1685792319950743
Energy: 1.3533438606121933
Energy: 1.168579231994029
Energy: 1.2494510499948175
Energy: 1.1716348603865843
Energy: 1.206075759731882
Energy: 1.1716348603865843
Energy: 1.2470829542730861
Energy: 1.1715240838581242
Energy: 1.2062780141587024
Energy: 1.1715240838591696
Energy: 1.2285020724538145
Energy: 1.1948511475791241
Energy: 1.2063433434754844
Energy: 1.1948511475791241
Energy: 1.182640066011941
Energy: 1.1794411757231318
Energy: 1.205344630530859
Energy: 1.1794411757220866
Energy: 1.1824931524471223
Energy: 1.2134879031375125
Energy: 1.210945501183139
Energy: 1.2134879031354222
Energy: 1.1858370698626233
Energy: 1.1902840451110346
Energy: 1.1767307971317416
Energy: 1.1902840451120797
Energy: 1.3406644692690197
Energy: 1.1691988403362439
Energy: 1.2294911833104587
Energy: 1.169198840337289
Energy: 1.2444983870297202
Energy: 1.1817313055941443
Energy: 1.4211458621320654
Energy: 1.1817313055951895
Energy: 1.2437274841051154
Energy: 1.159081551387409
Energy: 1.3181621883268002
Energy: 1.159081551387409
Energy: 1.544094902757315
Energy: 1.1762166486578685
Energy: 1.2467414903069334
Energy: 1.1762166486578685
Energy: 1.2630380349150911
Energy: 1.2858798655625332
Energy: 1.3134071962752076
Energy: 1.2858798655614878
Energy: 1.1923873993777139
Energy: 1.1794872138902477
Energy: 1.1756503785592232
Energy: 1.1794872138881576
Energy: 1.288418033999185
Energy: 1.2051412656121083
Energy: 1.2394491508409333
Energy: 1.2051412656141984
Energy: 1.181872895825042
Energy: 1.190567488071758
Energy: 1.1631305657532585
Energy: 1.1905674880728034
Energy: 1.1837802648770932
Energy: 1.2138795895736507
Energy: 1.2534779395401163
Energy: 1.2138795895736507
Energy: 1.195918599063741
Energy: 1.1797416888684735
Energy: 1.1905930089338066
Energy: 1.1797416888674286
Energy: 1.2916595776781106
Energy: 1.1798408189017044
Energy: 1.250705496795083
Energy: 1.1798408189017044
Energy: 1.3470111591533505
Energy: 1.1517718371985404
Energy: 1.4585156583760501
Energy: 1.1517718372006305
Energy: 1.3513666484724514
Energy: 1.1526939904109852
Energy: 1.2536415157685759
Energy: 1.1526939904120304
Energy: 1.1943279399091995
Energy: 1.1800453547476975
Energy: 1.190618560910547
Energy: 1.180045354749788
Energy: 1.1972900199524505
Energy: 1.1801002836236358
Energy: 1.2507609837260563
Energy: 1.180100283624681
Energy: 1.1815176613993397
Energy: 1.2127238118708394
Energy: 1.2090857241823008
Energy: 1.2127238118718846
Energy: 1.1836923114192224
Energy: 1.1909626584620359
Energy: 1.1611218347612906
Energy: 1.1909626584620359
Energy: 1.2651233627877143
Energy: 1.1938419564603469
Energy: 1.1756884649921908
Energy: 1.1938419564593017
Energy: 1.1919710913427455
Energy: 1.1801025048346299
Energy: 1.2131568144669216
Energy: 1.1801025048335847
Energy: 1.1827696980273203
Energy: 1.1570501816243766
Energy: 1.335436107966726
Energy: 1.157050181626467
Energy: 1.5946053091001573
Energy: 1.1715364679561193
Energy: 1.2463490050592954
Energy: 1.1715364679571647
Energy: 1.3416601502878671
Energy: 1.1583174607246036
Energy: 1.257564641511587
Energy: 1.1583174607256488

minimum gb energy = 1.1517718371985404 eV
minimum distance =  2.25627506965319 Angstroms
sigma value = 89


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

Energy: 1.2784350802724083
Energy: 1.1016986196399603
Energy: 1.9423374638462634
Energy: 1.1016986196397116
Energy: 1.1763941683714354
Energy: 1.1180001507706478
Energy: 1.225753378158112
Energy: 1.1180001507706478
Energy: 1.277249898241844
Energy: 1.0934661410651612
Energy: 1.1092123679927097
Energy: 1.0934661410651612
Energy: 1.1534827695742822
Energy: 1.1528277798865814
Energy: 1.2991424973489631
Energy: 1.1528277798868303
Energy: 1.1669426127178308
Energy: 1.1414821986270738
Energy: 1.1358774357340728
Energy: 1.1414821986270738
Energy: 1.1459096390538666
Energy: 1.2915010815724464
Energy: 1.13611282739315
Energy: 1.2915010815724464
Energy: 1.1484463043661406
Energy: 1.0934055654966173
Energy: 1.1358414027945443
Energy: 1.0934055654963375
Energy: 1.147144443723446
Energy: 1.1499845743563553
Energy: 1.2943142102789935
Energy: 1.1499845743560755
Energy: 1.2787992507457466
Energy: 1.1415760525511005
Energy: 1.0906675359729994
Energy: 1.1415760525511005
Energy: 1.1460659073787693
Energy: 1.1423561207219246
Energy: 1.0904754631699922
Energy: 1.1423561207219246
Energy: 1.2256951529388147
Energy: 1.0935603158510752
Energy: 1.294284247156429
Energy: 1.093560315850516
Energy: 1.2268745526303013
Energy: 1.0943375512255185
Energy: 1.2941340896954021
Energy: 1.0943375512257982
Energy: 1.277823576985534
Energy: 1.14177005794275
Energy: 1.0905426173834067
Energy: 1.14177005794275
Energy: 1.2770895404894678
Energy: 1.14258645238366
Energy: 1.0902733810468606
Energy: 1.1425864523834113
Energy: 1.148176904916309
Energy: 1.1416495207078572
Energy: 1.2942301306210766
Energy: 1.1416495207078572

minimum gb energy = 1.0902733810468606 eV
minimum distance =  2.25920157024646 Angstroms
sigma value = 13


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

Energy: 1.1622499195047244
Energy: 1.0721490265893823
Energy: 1.7497402154166903
Energy: 1.0721490265882359
Energy: 1.238436684199392
Energy: 1.0694408089875915
Energy: 1.1035539351165966
Energy: 1.0694408089875915
Energy: 1.1814822389644721
Energy: 1.0513994668198232
Energy: 1.151636079139633
Energy: 1.0513994668198232
Energy: 1.135517102216716
Energy: 1.0700146086351614
Energy: 1.103523655251541
Energy: 1.0700146086351614
Energy: 1.08020891138312
Energy: 1.075845000172176
Energy: 1.1097789584523978
Energy: 1.0758450001733226
Energy: 1.2011095935482279
Energy: 1.07627680725562
Energy: 1.1387715554331406
Energy: 1.07627680725562
Energy: 1.1021977603265862
Energy: 1.0516963315512509
Energy: 1.1105682583280592
Energy: 1.0516963315512509
Energy: 1.1053659692091264
Energy: 1.0945528165627436
Energy: 1.1011700956010482
Energy: 1.0945528165627436
Energy: 1.1036965998901216
Energy: 1.0757145861829007
Energy: 1.0723272385805327
Energy: 1.0757145861829007
Energy: 1.2355230605912058
Energy: 1.0763495424523242
Energy: 1.160344733762153
Energy: 1.0763495424523242
Energy: 1.1346960242904982
Energy: 1.051501177884629
Energy: 1.175866447470174
Energy: 1.051501177884629
Energy: 1.1275725379833286
Energy: 1.052294852379147
Energy: 1.1011301173727481
Energy: 1.052294852379147
Energy: 1.1805925551686502
Energy: 1.0676787202052587
Energy: 1.1389476821002966
Energy: 1.0676787202052587
Energy: 1.1744161425830013
Energy: 1.069524571983614
Energy: 1.2634339591419563
Energy: 1.0695245719824678
Energy: 1.1349726917134404
Energy: 1.0514577553231301
Energy: 1.1744533719951402
Energy: 1.0514577553231301
Energy: 1.127833006361041
Energy: 1.0522353462818945
Energy: 1.1817567540602076
Energy: 1.0522353462818945
Energy: 1.181895945110587
Energy: 1.0759526330310956
Energy: 1.0720245364816752
Energy: 1.0759526330310956
Energy: 1.109470122960017
Energy: 1.076137241584218
Energy: 1.1608400880678622
Energy: 1.076137241584218
Energy: 1.101983806961305
Energy: 1.0519612643237575
Energy: 1.1065797243214703
Energy: 1.0519612643237575
Energy: 1.1065823028158657
Energy: 1.0521147529088517
Energy: 1.1019740886503249
Energy: 1.0521147529088517
Energy: 1.1608489898911107
Energy: 1.0759117248941892
Energy: 1.1094607438896598
Energy: 1.0759117248941892
Energy: 1.072233230399269
Energy: 1.0759558938977
Energy: 1.1818959451071487
Energy: 1.0759558938977
Energy: 1.1817567540579152
Energy: 1.0522234854749508
Energy: 1.1278333786723476
Energy: 1.0522234854749508
Energy: 1.174453371993994
Energy: 1.0514519023110933
Energy: 1.134665420157904
Energy: 1.0514519023110933
Energy: 1.263387188653285
Energy: 1.0697207384319962
Energy: 1.174414168838393
Energy: 1.0697207384319962
Energy: 1.1389695068494627
Energy: 1.067650666963742
Energy: 1.1805925551675043
Energy: 1.067650666963742
Energy: 1.1012148527691699
Energy: 1.0523003909033097
Energy: 1.1275654089523621
Energy: 1.0523003909033097
Energy: 1.175866447470174
Energy: 1.051492390079222
Energy: 1.1346645317143993
Energy: 1.051492390079222
Energy: 1.160341557937486
Energy: 1.0763595901968068
Energy: 1.2353675337196182
Energy: 1.0763595901956606
Energy: 1.0723204112239175
Energy: 1.0757078601920635
Energy: 1.1037106300963264
Energy: 1.0757078601920635
Energy: 1.1011742054841194
Energy: 1.0945549769820297
Energy: 1.1053581611445975
Energy: 1.0945549769820297
Energy: 1.1105620214067995
Energy: 1.051678009234953
Energy: 1.102207285833432
Energy: 1.051678009233807
Energy: 1.1387927433036553
Energy: 1.076146086411128
Energy: 1.201029126154102
Energy: 1.0761460864122745
Energy: 1.1097770741881086
Energy: 1.0758228457225976
Energy: 1.0801972085533222
Energy: 1.0758228457225976
Energy: 1.1036707960860794
Energy: 1.07001490673829
Energy: 1.1357271901295136
Energy: 1.0700149067371438

minimum gb energy = 1.0513994668198232 eV
minimum distance =  2.2800718368942 Angstroms
sigma value = 37


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

Energy: 1.153332574684198
Energy: 0.9994301396765141
Energy: 1.6684064967554109
Energy: 0.9994301396763124
Energy: 1.178159981706418
Energy: 1.0173537326900013
Energy: 1.0730111012848174
Energy: 1.017353732690382
Energy: 1.1672956383751396
Energy: 0.9804116879200906
Energy: 1.1521342106687216
Energy: 0.9804116879200906
Energy: 1.1085828272573546
Energy: 1.0290446729969767
Energy: 1.072904805991115
Energy: 1.0290446729961922
Energy: 1.0710036558383131
Energy: 0.9789503092497216
Energy: 1.1636591283293376
Energy: 0.9789503092497216
Energy: 1.1535529896878796
Energy: 1.0155119677899747
Energy: 1.094172403179162
Energy: 1.015511967789773
Energy: 1.0652802078749584
Energy: 0.9805851690546804
Energy: 1.1187060460562002
Energy: 0.9805851690545012
Energy: 1.0645790027890252
Energy: 1.1051999842582085
Energy: 1.089925186342531
Energy: 1.1051999842580293
Energy: 1.0719475187517133
Energy: 0.9790236106048972
Energy: 1.089944833560766
Energy: 0.9790236106046954
Energy: 1.1526201280670962
Energy: 1.0154201672998406
Energy: 1.0904982720548524
Energy: 1.015420167299639
Energy: 1.0449966412742322
Energy: 0.9804044675779942
Energy: 1.1618157618885736
Energy: 0.9804044675777924
Energy: 1.0539631849508195
Energy: 1.016728565132003
Energy: 1.0904947327714047
Energy: 1.016728565132003
Energy: 1.1674326135629973
Energy: 0.9790434858387465
Energy: 1.102805428002549
Energy: 0.9790434858393516
Energy: 1.0350850185137375
Energy: 0.9808830284717108
Energy: 1.1035238636408495
Energy: 0.980883028471509
Energy: 1.108091098935482
Energy: 0.9983030042425851
Energy: 1.1620238809798928
Energy: 0.9983030042427867
Energy: 1.025270731223085
Energy: 1.0060427444703466
Energy: 1.0800525771997003
Energy: 1.0060427444707274
Energy: 1.1671682826704628
Energy: 0.9791053906784296
Energy: 1.1029216779738638
Energy: 0.9791053906784296
Energy: 1.1082341858647866
Energy: 0.980827377977414
Energy: 1.1041905882249061
Energy: 0.9808273779778174
Energy: 1.0450807005449931
Energy: 0.9803622101629352
Energy: 1.1619952523512964
Energy: 0.9803622101629352
Energy: 1.0451679404271312
Energy: 1.0162673757576886
Energy: 1.1633820989273362
Energy: 1.0162673757573075

minimum gb energy = 0.9789503092497216 eV
minimum distance =  2.27079097358669 Angstroms
sigma value = 25


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

Energy: 1.059263605755981
Energy: 0.9130631099958061
Energy: 1.4380445857987099
Energy: 0.9130631099942663
Energy: 0.9651139189275137
Energy: 0.9388925670710732
Energy: 0.9996421484914174
Energy: 0.9388925670710732
Energy: 1.043013255884705
Energy: 0.8978900308304149
Energy: 1.060117817068877
Energy: 0.8978900308304149
Energy: 1.0097708205886287
Energy: 0.9537535428804017
Energy: 0.9979808548929153
Energy: 0.9537535428804017
Energy: 1.015091850003705
Energy: 0.8895014788542219
Energy: 1.0358931489850178
Energy: 0.8895014788542219
Energy: 1.010135797818434
Energy: 0.9071388368673015
Energy: 1.035239050991172
Energy: 0.9071388368673015
Energy: 0.9825612894575337
Energy: 0.8893504661255375
Energy: 1.015117106294581
Energy: 0.8893504661255375
Energy: 1.0145334978935994
Energy: 0.9091149096041522
Energy: 1.036142151898388
Energy: 0.9091149096041522
Energy: 0.9836842989222085
Energy: 0.8896512028512545
Energy: 1.0027813185148076
Energy: 0.8896512028512545
Energy: 1.0302269696112285
Energy: 0.9557562186004561
Energy: 1.0131340809968317
Energy: 0.9557562186004561
Energy: 0.9764517838876421
Energy: 0.889250309936734
Energy: 1.0104685261963207
Energy: 0.889250309936734
Energy: 1.0118519366701229
Energy: 0.9092383843814911
Energy: 1.0349896720595164
Energy: 0.9092383843830308
Energy: 0.9856197254192982
Energy: 0.8895460215933483
Energy: 0.9902167447523422
Energy: 0.8895460215933483
Energy: 1.054569211403431
Energy: 0.9087125003504102
Energy: 0.9813506997003492
Energy: 0.9087125003504102
Energy: 0.9662398484038581
Energy: 0.8893496573931993
Energy: 1.03864601942914
Energy: 0.8893496573931993
Energy: 0.9875477279921201
Energy: 0.8893616086043358
Energy: 0.9657193270524708
Energy: 0.8893616086058758
Energy: 1.0398597364091469
Energy: 0.8977512640649407
Energy: 0.9823150113442195
Energy: 0.8977512640649407
Energy: 0.9657257838941589
Energy: 0.9231501710014421
Energy: 0.9801399002025787
Energy: 0.9231501710014421
Energy: 0.9989377662617981
Energy: 0.9115822722045323
Energy: 1.0394193271468024
Energy: 0.9115822722029923
Energy: 1.004090332981388
Energy: 0.9123342921503527
Energy: 0.9984554336936003
Energy: 0.9123342921503527
Energy: 1.0395115251218354
Energy: 0.8978984647614691
Energy: 0.9828504434436078
Energy: 0.8978984647614691
Energy: 1.0218149078599659
Energy: 0.9061285231753896
Energy: 0.9799963010511622
Energy: 0.9061285231753896
Energy: 0.9670641030540109
Energy: 0.889483476806842
Energy: 1.0390104928866362
Energy: 0.889483476806842
Energy: 1.0097815851493452
Energy: 0.8890508245386954
Energy: 1.0246809382009145
Energy: 0.8890508245386954
Energy: 0.9856899298733695
Energy: 0.8898209405677635
Energy: 0.9903210486880862
Energy: 0.8898209405677635
Energy: 1.0533680965969134
Energy: 0.908387805521891
Energy: 0.9813446266103449
Energy: 0.908387805521891

minimum gb energy = 0.8890508245386954 eV
minimum distance =  2.2793928971179 Angstroms
sigma value = 41


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

Energy: 1.0028152675464233
Energy: 0.847694762949046
Energy: 1.2759999453850905
Energy: 0.847694762949046
Energy: 0.9004634144858736
Energy: 0.8572772850709789
Energy: 0.9474973793999257
Energy: 0.8572772850697166
Energy: 0.9490256486248886
Energy: 0.828797800370857
Energy: 0.9672411525460589
Energy: 0.8287978003695945
Energy: 0.9487369816062141
Energy: 0.8929454423027867
Energy: 0.9474136912979445
Energy: 0.8929454423027867
Energy: 0.9596425217046404
Energy: 0.8195052013524071
Energy: 0.9430861215388987
Energy: 0.8195052013524071
Energy: 0.9487690705959334
Energy: 0.8348378670785457
Energy: 0.9346518903292732
Energy: 0.834837867079808
Energy: 0.9595702365108854
Energy: 0.8153684942294882
Energy: 0.9561232480633564
Energy: 0.8153684942294882
Energy: 0.9505499377342813
Energy: 0.8383046080406628
Energy: 0.9343783350007587
Energy: 0.8383046080406628
Energy: 0.9582169719789598
Energy: 0.815449058581645
Energy: 0.9274714664241686
Energy: 0.8154490585803824
Energy: 0.9505808080121806
Energy: 0.8661679291579347
Energy: 0.9476329214384366
Energy: 0.8661679291591972
Energy: 0.9438641011651918
Energy: 0.8154415927878759
Energy: 0.9334042024752448
Energy: 0.8154415927866134
Energy: 0.9387092962068301
Energy: 0.8540358508065006
Energy: 0.9477133623561576
Energy: 0.8540358508065006
Energy: 0.9502503729138462
Energy: 0.8154284119165905
Energy: 0.9269973983535262
Energy: 0.8154284119165905
Energy: 0.9503755426920226
Energy: 0.8269141487290723
Energy: 0.9394474231369145
Energy: 0.82691414872781
Energy: 0.9057160139764457
Energy: 0.8153936124615556
Energy: 0.9313530274807108
Energy: 0.8153936124602932
Energy: 0.9049631139624456
Energy: 0.8269215513891814
Energy: 0.9617117532113056
Energy: 0.826921551390444
Energy: 0.9632760259029066
Energy: 0.81537738170024
Energy: 0.898065705637312
Energy: 0.81537738170024
Energy: 0.9450156293062372
Energy: 0.8151748689988898
Energy: 0.9146924719615437
Energy: 0.8151748689988898
Energy: 0.9042046959837674
Energy: 0.8189262536688101
Energy: 0.944965324820287
Energy: 0.8189262536700723
Energy: 0.9077131129857576
Energy: 0.8828900431226361
Energy: 0.9065754948809551
Energy: 0.8828900431238986
Energy: 0.9464020390345668
Energy: 0.8276664746629034
Energy: 0.9132873496611454
Energy: 0.8276664746629034
Energy: 0.9019804236259518
Energy: 0.8473980937441171
Energy: 0.9436243806019873
Energy: 0.8473980937453796
Energy: 0.9343856550910753
Energy: 0.8469942557567148
Energy: 0.9463538719041868
Energy: 0.8469942557567148
Energy: 0.9581304519679986
Energy: 0.8491811962125506
Energy: 0.9292664930363184
Energy: 0.8491811962125506
Energy: 0.9462436894929686
Energy: 0.8277584458704561
Energy: 0.9137264151190087
Energy: 0.8277584458704561
Energy: 0.9452285816536341
Energy: 0.8288121145554173
Energy: 0.9435859667498092
Energy: 0.8288121145554173
Energy: 0.9045276325296049
Energy: 0.819177661631894
Energy: 0.9467322131826432
Energy: 0.8191776616331563
Energy: 0.9361992559370419
Energy: 0.8255455722397984
Energy: 0.9615317032762758
Energy: 0.8255455722397984
Energy: 0.9576340752665756
Energy: 0.815454952301298
Energy: 0.8981430646697711
Energy: 0.8154549523000357
Energy: 0.9506150227837721
Energy: 0.814715360561593
Energy: 0.9376728211987633
Energy: 0.814715360561593
Energy: 0.9055391439403288
Energy: 0.8152077915649211
Energy: 0.9256832693051131
Energy: 0.8152077915649211
Energy: 0.9052112621514126
Energy: 0.8264896188697698
Energy: 0.97108535878982
Energy: 0.8264896188697698

minimum gb energy = 0.814715360561593 eV
minimum distance =  2.28653036822437 Angstroms
sigma value = 15


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

Energy: 0.9351663892484661
Energy: 0.7867446118666829
Energy: 1.1545617252080214
Energy: 0.786744611864544
Energy: 0.8916169819374474
Energy: 0.837538053203908
Energy: 0.8912951705520542
Energy: 0.837538053203908
Energy: 0.8755653465468602
Energy: 0.7775634551233487
Energy: 0.9123351451625399
Energy: 0.7775634551222793
Energy: 0.8809322506580657
Energy: 0.7876867862205466
Energy: 0.8832809931669146
Energy: 0.7876867862205466
Energy: 0.8995996555355183
Energy: 0.7658105149811887
Energy: 0.8715291396030321
Energy: 0.7658105149790496
Energy: 0.8805916559966401
Energy: 0.823134825617576
Energy: 0.8821118434995419
Energy: 0.823134825617576
Energy: 0.8849946660418455
Energy: 0.7564950498314373
Energy: 0.9112704424403317
Energy: 0.7564950498314373
Energy: 0.8746109204647838
Energy: 0.8234553326946635
Energy: 0.882108122994384
Energy: 0.8234553326935939
Energy: 0.9038462673612179
Energy: 0.7548558978619817
Energy: 0.8640742942019897
Energy: 0.7548558978641207
Energy: 0.8746897548292261
Energy: 0.7694469574685106
Energy: 0.88528181536016
Energy: 0.7694469574685106
Energy: 0.8773603516088403
Energy: 0.754620318868312
Energy: 0.8837504624884214
Energy: 0.7546203188693816
Energy: 0.883826510372228
Energy: 0.7870547824822672
Energy: 0.8851904319428959
Energy: 0.7870547824822672
Energy: 0.8853726916594995
Energy: 0.7548853050723257
Energy: 0.866163503034631
Energy: 0.7548853050701867
Energy: 0.883727367420343
Energy: 0.7794477420275842
Energy: 0.8791866172826932
Energy: 0.7794477420265632
Energy: 0.8803037378199631
Energy: 0.7549008226952015
Energy: 0.8684660870734757
Energy: 0.7549008226952015
Energy: 0.8896285614733846
Energy: 0.7794213851379831
Energy: 0.8851642691824628
Energy: 0.7794213851369136
Energy: 0.8806019600885687
Energy: 0.7548278847869592
Energy: 0.8781018855558069
Energy: 0.7548278847880289
Energy: 0.8893917563921532
Energy: 0.7623255226554249
Energy: 0.8517921594252515
Energy: 0.7623255226543554
Energy: 0.846498182912073
Energy: 0.7548377907789122
Energy: 0.8677598946647316
Energy: 0.7548377907789122
Energy: 0.8571601824750731
Energy: 0.7693325661489927
Energy: 0.8781829799124047
Energy: 0.7693325661500621
Energy: 0.8888698809821726
Energy: 0.7569331139276255
Energy: 0.8548156667886107
Energy: 0.7569331139297646
Energy: 0.8896767778996578
Energy: 0.8168002250492843
Energy: 0.8517075315603417
Energy: 0.8168002250482147
Energy: 0.8534851620474098
Energy: 0.7659225506167343
Energy: 0.8726743520664745
Energy: 0.7659225506145954
Energy: 0.8838288267561911
Energy: 0.8278690511901888
Energy: 0.8761145629271105
Energy: 0.82786905118805
Energy: 0.8742175638800348
Energy: 0.7775404815358968
Energy: 0.8673494408022715
Energy: 0.7775404815358968
Energy: 0.8518552075287102
Energy: 0.8308763732397845
Energy: 0.8920393964513301
Energy: 0.8308763732387151
Energy: 0.8764138805798968
Energy: 0.7867473208377748
Energy: 0.874392318957044
Energy: 0.7867473208345666
Energy: 0.8916250903549485
Energy: 0.797274912953726
Energy: 0.8884523725223066
Energy: 0.797274912955865
Energy: 0.880521426965522
Energy: 0.777660865388977
Energy: 0.8672961801572695
Energy: 0.777660865388977
Energy: 0.8900656276591956
Energy: 0.7759424858205293
Energy: 0.8914808003409275
Energy: 0.7759424858226683
Energy: 0.8541788567406117
Energy: 0.766116549948259
Energy: 0.8737484141657729
Energy: 0.76611654994612
Energy: 0.8835518432514856
Energy: 0.7747608449609682
Energy: 0.8785008340752681
Energy: 0.7747608449598987
Energy: 0.8838544592685053
Energy: 0.7570266039467176
Energy: 0.8546958625479435
Energy: 0.7570266039467176
Energy: 0.889280376445372
Energy: 0.7608909574468182
Energy: 0.8762775705573919
Energy: 0.7608909574457488
Energy: 0.8476371971452087
Energy: 0.7549161023974013
Energy: 0.8781505843224314
Energy: 0.7549161023974013
Energy: 0.8781722873391067
Energy: 0.7689738756439403
Energy: 0.8854413688029245
Energy: 0.7689738756460792
Energy: 0.8733817036775858
Energy: 0.7550652390397767
Energy: 0.8782143055329341
Energy: 0.7550652390397767

minimum gb energy = 0.754620318868312 eV
minimum distance =  2.29259709651227 Angstroms
sigma value = 85


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

Energy: 0.9142850240452892
Energy: 0.7328567601617901
Energy: 1.0238465184330232
Energy: 0.7328567601599351
Energy: 0.7872491836392821
Energy: 0.7323323458163778
Energy: 0.8056186590342195
Energy: 0.7323323458173054
Energy: 0.7886364486733373
Energy: 0.7315125269052652
Energy: 0.8792609843222382
Energy: 0.7315125269052652
Energy: 0.7931916717353932
Energy: 0.7305321277201927
Energy: 0.8054017314468611
Energy: 0.7305321277211204
Energy: 0.8643104841802588
Energy: 0.699193411847469
Energy: 0.790525455411875
Energy: 0.699193411847469
Energy: 0.7931496512158869
Energy: 0.7333045567508284
Energy: 0.800718856171678
Energy: 0.7333045567499007
Energy: 0.807498690867223
Energy: 0.7007980936084872
Energy: 0.8449843806525353
Energy: 0.7007980936084872
Energy: 0.8033020418454664
Energy: 0.7412921036207897
Energy: 0.8006090823663261
Energy: 0.7412921036198831
Energy: 0.8516842935849943
Energy: 0.6826525542733185
Energy: 0.8251773635942307
Energy: 0.6826525542733185
Energy: 0.803370730741037
Energy: 0.6874835374764238
Energy: 0.8078164349487157
Energy: 0.6874835374754962
Energy: 0.7887104876430071
Energy: 0.6827105190861021
Energy: 0.8393431996911552
Energy: 0.6827105190861021
Energy: 0.8229617642257304
Energy: 0.693918664571667
Energy: 0.8073368055471282
Energy: 0.693918664571667
Energy: 0.8130238357451399
Energy: 0.6828119817718444
Energy: 0.8057909903452524
Energy: 0.6828119817709168
Energy: 0.8227813825471921
Energy: 0.7219914304698926
Energy: 0.8220272751699744
Energy: 0.7219914304698926
Energy: 0.7866786079110516
Energy: 0.6828960283283015
Energy: 0.8169035809604717
Energy: 0.6828960283283015
Energy: 0.8174783536056989
Energy: 0.7205562434163729
Energy: 0.8217094750978495
Energy: 0.7205562434163729
Energy: 0.7904114052486589
Energy: 0.6828624564508913
Energy: 0.8064818130917065
Energy: 0.6828624564508913
Energy: 0.8226756219163056
Energy: 0.7203367821673533
Energy: 0.8217730383396616
Energy: 0.7203367821673533
Energy: 0.8023692566069317
Energy: 0.6828719117284905
Energy: 0.8109316589711895
Energy: 0.6828719117275629
Energy: 0.792026850022356
Energy: 0.6943090921908451
Energy: 0.8192971626381192
Energy: 0.6943090921917726
Energy: 0.7874257399236249
Energy: 0.6825228957171484
Energy: 0.7823122713863541
Energy: 0.6825228957180759
Energy: 0.803812630061188
Energy: 0.6942343143732096
Energy: 0.8081530838198411
Energy: 0.6942343143741373
Energy: 0.7877181237760738
Energy: 0.6829748762489418
Energy: 0.8217192419403524
Energy: 0.6829748762489418
Energy: 0.804215857167999
Energy: 0.7410212832008375
Energy: 0.7960826052151248
Energy: 0.7410212832008375
Energy: 0.8073746717532444
Energy: 0.7000197267092851
Energy: 0.7852583541369644
Energy: 0.7000197267102127
Energy: 0.7932142939770026
Energy: 0.7334056484664455
Energy: 0.8005855585041264
Energy: 0.7334056484673731
Energy: 0.8040010387941484
Energy: 0.6991468454911404
Energy: 0.7914065756956129
Energy: 0.6991468454911404
Energy: 0.812102099575957
Energy: 0.7368967867745421
Energy: 0.7778656933872524
Energy: 0.7368967867745421
Energy: 0.7871382680593819
Energy: 0.7314561233117526
Energy: 0.8009672127492998
Energy: 0.7314561233117526
Energy: 0.7846196449820103
Energy: 0.7325295168371639
Energy: 0.8055877859318479
Energy: 0.7325295168371639
Energy: 0.8348546682699751
Energy: 0.7328550486124772
Energy: 0.7924494204756383
Energy: 0.7328550486115497
Energy: 0.8311754541174649
Energy: 0.7004736849143769
Energy: 0.786082655205497
Energy: 0.7004736849143769
Energy: 0.7872264456841945
Energy: 0.7314655132497493
Energy: 0.8010452766456416
Energy: 0.7314655132506769
Energy: 0.793117939674145
Energy: 0.681475840267812
Energy: 0.8054869425853686
Energy: 0.681475840267812
Energy: 0.804060513159187
Energy: 0.6991721652672866
Energy: 0.7924321830850534
Energy: 0.6991721652663591
Energy: 0.8119473222180463
Energy: 0.6806675948572067
Energy: 0.7959589938019895
Energy: 0.6806675948581342
Energy: 0.8069442941108182
Energy: 0.6999622942760799
Energy: 0.7851813916220162
Energy: 0.6999622942760799
Energy: 0.8039033588549571
Energy: 0.6801477935264258
Energy: 0.8006457698983608
Energy: 0.6801477935273533
Energy: 0.7872995987956243
Energy: 0.6825112919564951
Energy: 0.8220872090175522
Energy: 0.6825112919574228
Energy: 0.80711459259542
Energy: 0.6805927896829519
Energy: 0.8196208764223085
Energy: 0.6805927896829519
Energy: 0.785510077208664
Energy: 0.6824183303697642
Energy: 0.7823600520864421
Energy: 0.6824183303697642
Energy: 0.822915928843423
Energy: 0.6942420890514278
Energy: 0.8073287120330579
Energy: 0.6942420890505003
Energy: 0.8022115235222469
Energy: 0.6806033433222203
Energy: 0.808512463855095
Energy: 0.6806033433222203

minimum gb energy = 0.6801477935264258 eV
minimum distance =  2.29530303833747 Angstroms
sigma value = 113


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

Energy: 0.01508096431745879
Energy: 0.01566838687004829
Energy: 1.1957385412890424
Energy: 0.01566838687004829
Energy: 0.015974754817072494
Energy: 0.6827346160449278
Energy: 0.01597475481778555
Energy: 0.6827346160449278
Energy: 1.195738541289716
Energy: 0.01566838687004829
Energy: 0.01508096431745879
Energy: 0.01566838686937485
Energy: 0.015974754817072494
Energy: 0.6827346160449278
Energy: 0.015974754817072494
Energy: 0.6827346160449278
Energy: 0.01508096431745879
Energy: 0.01566838687004829
Energy: 1.195738541289716
Energy: 0.01566838687004829
Energy: 0.01597475481639905
Energy: 0.6827346160449278
Energy: 0.01597475481639905
Energy: 0.6827346160449278

minimum gb energy = 0.01508096431745879 eV
minimum distance =  2.44793695102027 Angstroms
sigma value = 1