Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_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=2.870000079274177
cohesive_energy=4.280336473607806
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=[2.25653761485828e-19, 3.0661334897848197e-19, 3.58285147601616e-19, 4.0171534961945396e-19, 4.39935273223524e-19, 4.7385976127184e-19, 5.04039962526498e-19, 5.308652059095599e-19, 5.545886353291979e-19, 5.75455383810414e-19, 5.9374262791089e-19, 6.0971632895187e-19, 6.23626426488258e-19, 6.356892143656439e-19, 6.461001581333759e-19, 6.55027486338024e-19, 6.62621803583184e-19, 6.69006477469674e-19, 6.742728320656319e-19, 6.78491363142954e-19, 6.817085338240259e-19, 6.83964398524698e-19, 6.852958073075519e-19, 6.85731599352e-19, 6.8525895724497e-19, 6.837256742062319e-19, 6.809378868630719e-19, 6.76669688310096e-19, 6.70658321579328e-19, 6.62599373110308e-19, 6.521323531603859e-19, 6.388374914514539e-19, 6.222197154036059e-19, 6.016894240155299e-19, 5.765432617449e-19, 5.45906440149552e-19, 5.086766617052939e-19, 4.63442408797572e-19, 4.0839322182996596e-19, 3.4118832074020195e-19, 2.58740311154562e-19, 1.5694409610141118e-19, 3.02820996885804e-20, -1.28690031596148e-19, -3.30142915025406e-19, -5.881558379881319e-19, -9.226166190421679e-19, -1.362593548858176e-18, -1.95427097108784e-18, -2.77492186478898e-18, -3.9607568786777395e-18, -5.7693579502023e-18]
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: -1e-07 eV

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

Energy: 0.01309625901350016
Energy: 0.013409704575864592
Energy: 1.9752589293021539
Energy: 1.1134637755209669
Energy: 0.013409704575864592
Energy: 0.22524417967760949
Energy: 1.103551099776854
Energy: 0.22524417967760949
Energy: 1.9752588114334162
Energy: 1.1035510997651894
Energy: 1.3151154225638333
Energy: 1.1035510997807516
Energy: 1.1134637754674799
Energy: 0.22524417967760949
Energy: 1.1035510997739517
Energy: 0.22524417967760949

minimum gb energy = 0.01309625901350016 eV
minimum distance =  2.44410843857542 Angstroms
sigma value = 1


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

Energy: 2.0998560196654763
Energy: 1.0704012668793805
Energy: 0.9379287355711406
Energy: 0.9376869086430716
Energy: 1.9184438454140367
Energy: 0.9379539039646733
Energy: 0.938644186584894
Energy: 0.9379539039634666
Energy: 1.928501082539246
Energy: 0.9381673729402127
Energy: 0.9385771548340609
Energy: 0.9381673729390058
Energy: 1.931262936823781
Energy: 0.9382683339634982
Energy: 0.9380758537198617
Energy: 0.9382683339634982
Energy: 1.9465877438117818
Energy: 0.9595629267729396
Energy: 1.2313295412417553
Energy: 0.959562926770526
Energy: 1.9313853688927685
Energy: 0.9378430138161675
Energy: 1.2644785900893167
Energy: 0.9378430138161675
Energy: 1.6485620058969674
Energy: 0.9375969219086822
Energy: 1.2730392447846115
Energy: 0.9375969219086822
Energy: 1.6510182787908918
Energy: 0.9376997134416776
Energy: 1.2716655959284446
Energy: 0.9376997134404708
Energy: 1.6380395787793516
Energy: 0.9377291200886907
Energy: 1.2839392799879337
Energy: 0.9377291200898975
Energy: 1.6512955758576386
Energy: 1.0081430067406578
Energy: 1.6507321433659907
Energy: 1.0081430067406578
Energy: 1.596282224505286
Energy: 1.0071758149648018
Energy: 1.5531340116036807
Energy: 1.0071758149660086
Energy: 1.2721689678046362
Energy: 0.9378373001933106
Energy: 1.6529715844972153
Energy: 0.9378373001921038
Energy: 1.3435679856213796
Energy: 0.937610644309112
Energy: 1.648708750771924
Energy: 0.9376106443079051
Energy: 1.2548844390197773
Energy: 0.9397638730141757
Energy: 1.931772599364946
Energy: 0.9397638730153827
Energy: 1.255193406160907
Energy: 0.946110194773006
Energy: 1.7378232980070403
Energy: 0.946110194773006
Energy: 0.9382914800925127
Energy: 0.9383216372075094
Energy: 1.932964138749455
Energy: 0.9383216372063026
Energy: 0.9379991079044464
Energy: 0.9382825879472017
Energy: 1.9287200630750643
Energy: 0.9382825879484084
Energy: 0.9601801268616018
Energy: 0.9598339097046422
Energy: 1.9308582299464585
Energy: 0.9598339097022285
Energy: 0.937933418659441
Energy: 0.9378123603929465
Energy: 1.8314854283078417
Energy: 0.9378123603929465
Energy: 1.0400497972116343
Energy: 0.9379003901643213
Energy: 1.9262581422873408
Energy: 0.9379003901643213
Energy: 1.0573198436066285
Energy: 0.9380550396454729
Energy: 1.9300598038392889
Energy: 0.9380550396454729
Energy: 1.0581082086297282
Energy: 0.9373690298396551
Energy: 1.8427824520302936
Energy: 0.9373690298384483
Energy: 1.0742583254492937
Energy: 0.9385073020800848
Energy: 1.6493187760213692
Energy: 0.938507302078878
Energy: 1.4628113702575871
Energy: 0.9380006505427682
Energy: 1.8432208873791984
Energy: 0.9380006505415612
Energy: 1.461850051849702
Energy: 0.9381110816207678
Energy: 1.8373527034312944
Energy: 0.9381110816207678
Energy: 1.460595499986911
Energy: 1.008876797555555
Energy: 1.4691668633561317
Energy: 1.0088767975567619
Energy: 1.4621654422262536
Energy: 1.0079880631501792
Energy: 1.4633859680749726
Energy: 1.007988063151386
Energy: 1.8415592318426606
Energy: 0.9382520565427659
Energy: 1.468593079072871
Energy: 0.938252056541559
Energy: 1.7467998056979217
Energy: 0.9376768486905346
Energy: 1.461145948993312
Energy: 0.9376768486929482
Energy: 1.7445094588874357
Energy: 0.9376543583723358
Energy: 1.0929549586444762
Energy: 0.937654358371129
Energy: 1.837487617450323
Energy: 0.9397579944023822
Energy: 1.0685683920238567
Energy: 0.9397579944011754
Energy: 1.9314073597228547
Energy: 0.9384606332405325
Energy: 1.0645087459952882
Energy: 0.9384606332417395
Energy: 1.9298067742290537
Energy: 0.9383523244208594
Energy: 1.0402441784054208
Energy: 0.9383523244208594

minimum gb energy = 0.9373690298384483 eV
minimum distance =  2.39158142978534 Angstroms
sigma value = 1


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

Energy: 2.3224843797574004
Energy: 1.1652160615553657
Energy: 0.9796361881643852
Energy: 0.9785036411356807
Energy: 1.857514439612744
Energy: 0.9790870883329081
Energy: 0.9790135724764696
Energy: 0.9790870883329081
Energy: 1.874968059056944
Energy: 0.9788677561372288
Energy: 0.9774893952365342
Energy: 0.9788677561358526
Energy: 1.8737733084237889
Energy: 0.9785799514421534
Energy: 0.9793706130350769
Energy: 0.9785799514421534
Energy: 1.9596337947464342
Energy: 0.9796061802506058
Energy: 1.0216666210818548
Energy: 0.9796061802492296
Energy: 1.8750751259876681
Energy: 0.9795502396351526
Energy: 1.2131555696196141
Energy: 0.9795502396351526
Energy: 1.6610449120176998
Energy: 0.9781696340485533
Energy: 1.2302826964554539
Energy: 0.9781696340485533
Energy: 1.6637453414904337
Energy: 0.9796840072296633
Energy: 1.2289684172237474
Energy: 0.9796840072296633
Energy: 1.6620847756879469
Energy: 0.9779363278711359
Energy: 1.2296303321475748
Energy: 0.9779363278711359
Energy: 1.6622335877864445
Energy: 1.0653523974804533
Energy: 1.6613266418140271
Energy: 1.0653523974804533
Energy: 1.5178092744331386
Energy: 1.0653947059753348
Energy: 1.446544693423857
Energy: 1.0653947059753348
Energy: 1.2294613783173218
Energy: 0.9795164656204863
Energy: 1.4484151351867296
Energy: 0.9795164656191102
Energy: 1.2946196091696425
Energy: 0.9791362119988682
Energy: 1.6629276655575203
Energy: 0.9791362119974922
Energy: 1.2136617830126528
Energy: 0.9793261079923219
Energy: 1.8760012967851136
Energy: 0.9793261079923219
Energy: 1.2134940730146708
Energy: 0.9792624617935826
Energy: 1.856499658557661
Energy: 0.9792624617935826
Energy: 0.9782850292441271
Energy: 0.9783982939390964
Energy: 1.857378973989463
Energy: 0.9783982939390964
Energy: 0.9780665584477335
Energy: 0.9789505058800193
Energy: 1.8755245498533353
Energy: 0.9789505058786434
Energy: 0.9782350692746434
Energy: 0.9801206428443698
Energy: 1.8756438300100367
Energy: 0.9801206428443698
Energy: 0.978540400382254
Energy: 0.9791409796740177
Energy: 1.6528970585787632
Energy: 0.9791409796740177
Energy: 1.2129213595468507
Energy: 0.9784430632326614
Energy: 1.873788453021955
Energy: 0.9784430632326614
Energy: 1.2299270968117948
Energy: 0.9779904732149133
Energy: 1.8748231242131321
Energy: 0.9779904732149133
Energy: 1.2305395930192602
Energy: 0.9786227831736197
Energy: 1.6622804382432856
Energy: 0.9786227831749958
Energy: 1.2296811691575227
Energy: 1.0640577510261802
Energy: 1.6635169399103515
Energy: 1.0640577510261802
Energy: 1.66138340200802
Energy: 1.0658533146609146
Energy: 1.6627976015129424
Energy: 1.0658533146622906
Energy: 1.446581098119715
Energy: 1.064373765370449
Energy: 1.6622721362735269
Energy: 1.064373765370449
Energy: 1.4455542375753812
Energy: 1.0647467972687477
Energy: 1.2145175029800452
Energy: 1.0647467972687477
Energy: 1.662568024151753
Energy: 0.9787603292738233
Energy: 1.2935903649816438
Energy: 0.9787603292779514
Energy: 1.87552494212741
Energy: 0.9782632228496934
Energy: 1.214735542843654
Energy: 0.9782632228496934
Energy: 1.8575509758336548
Energy: 0.9791571822795756
Energy: 1.2126129130411958
Energy: 0.9791571822795756

minimum gb energy = 0.9774893952365342 eV
minimum distance =  2.39885009966823 Angstroms
sigma value = 25


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

Energy: 2.2048459226056805
Energy: 1.1765516558040294
Energy: 1.04984873309977
Energy: 1.0488539337037752
Energy: 1.765390061251439
Energy: 1.0493139238228448
Energy: 1.0495234240229028
Energy: 1.0493139238228448
Energy: 1.791442301672006
Energy: 1.049026538508016
Energy: 1.0482606976501738
Energy: 1.0490265385096156
Energy: 1.7926018685516636
Energy: 1.0492051989097608
Energy: 1.0484855243138722
Energy: 1.0492051989113604
Energy: 2.0005095596140463
Energy: 1.0503098613612003
Energy: 1.654559577626834
Energy: 1.0503098613596007
Energy: 1.7919258243352072
Energy: 1.0757574993154637
Energy: 1.4397512045017475
Energy: 1.0757574993154637
Energy: 1.7923194453456341
Energy: 1.143006061987936
Energy: 1.4749678858682937
Energy: 1.1430060619863363
Energy: 1.4754588517610407
Energy: 1.1429421367924528
Energy: 1.474816324221251
Energy: 1.1429421367940522
Energy: 1.4758965173670653
Energy: 1.1430568566158648
Energy: 1.4748868556071575
Energy: 1.1430568566158648
Energy: 1.4410221635587799
Energy: 1.0487359666581166
Energy: 1.793720535512027
Energy: 1.0487359666581166
Energy: 1.3861462556844564
Energy: 1.0499269554909023
Energy: 1.800116034895256
Energy: 1.0499269554893025
Energy: 1.0486547969791824
Energy: 1.0493209696053036
Energy: 1.8013021001011598
Energy: 1.0493209696053036
Energy: 1.0477141103405936
Energy: 1.0487507375115697
Energy: 1.7913193527313824
Energy: 1.0487507375115697
Energy: 1.1033847346770838
Energy: 1.084498951313531
Energy: 1.791821948750529
Energy: 1.0844989513119314
Energy: 1.0487383463681217
Energy: 1.076015704288491
Energy: 1.6826114110370725
Energy: 1.076015704288491
Energy: 1.1687318234214308
Energy: 1.0492398137854613
Energy: 1.7842008655276127
Energy: 1.0492398137854613
Energy: 1.2067439643224476
Energy: 1.0484586539627614
Energy: 1.7932953195589623
Energy: 1.048458653964361
Energy: 1.2087001933895414
Energy: 1.0495101689407043
Energy: 1.69495613103289
Energy: 1.0495101689407043
Energy: 1.2366531131929888
Energy: 1.0491868203851236
Energy: 1.6016049913010582
Energy: 1.0491868203867232
Energy: 1.6955770228056182
Energy: 1.145741362749567
Energy: 1.69551087060142
Energy: 1.1457413627511668
Energy: 1.5728296516708777
Energy: 1.0489553839895034
Energy: 1.6957035212484814
Energy: 1.0489553839895034
Energy: 1.5739570073089342
Energy: 1.0492779728647135
Energy: 1.209265918192674
Energy: 1.0492779728647135
Energy: 1.6967247133453076
Energy: 1.0490225921806398
Energy: 1.230353944554638
Energy: 1.0490225921806398
Energy: 1.792811335941052
Energy: 1.0489730748698405
Energy: 1.2012543031648761
Energy: 1.0489730748698405
Energy: 1.7955147239831224
Energy: 1.049396934268374
Energy: 1.1723846884421336
Energy: 1.0493969342699736

minimum gb energy = 1.0477141103405936 eV
minimum distance =  2.38555345894918 Angstroms
sigma value = 9


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

Energy: 1.9879162410508717
Energy: 1.284572664802263
Energy: 1.0961619497437232
Energy: 1.0967490372671693
Energy: 1.6674923541219828
Energy: 1.188189803060402
Energy: 1.0967632623889603
Energy: 1.1881898030602067
Energy: 1.705856128236675
Energy: 1.0967580811955888
Energy: 1.0948428569987876
Energy: 1.0967580811955888
Energy: 1.7041399776208683
Energy: 1.095886135554614
Energy: 1.095272846431845
Energy: 1.0958861355544187
Energy: 1.5246633310976017
Energy: 1.094212903473402
Energy: 1.0921432751601563
Energy: 1.094212903473402
Energy: 1.7003533824865564
Energy: 1.2213735245495623
Energy: 1.3849921704561816
Energy: 1.221373524549367
Energy: 1.7001138767252209
Energy: 1.2206760177355798
Energy: 1.0747019696880185
Energy: 1.2206760177403502
Energy: 1.4924357669878296
Energy: 1.2190387068563586
Energy: 1.4198787768396266
Energy: 1.2190387068555995
Energy: 1.4214287195996156
Energy: 1.220964318466627
Energy: 1.4271835441996796
Energy: 1.2209643184689254
Energy: 1.4839031140487602
Energy: 1.2208114756244939
Energy: 1.69907844302924
Energy: 1.2208114756223905
Energy: 1.2007494991711876
Energy: 1.0943797567986502
Energy: 1.6676007559583943
Energy: 1.0943797567980647
Energy: 1.0944511431780544
Energy: 1.0965809105123907
Energy: 1.6671437146142334
Energy: 1.0965809105123907
Energy: 1.0957778238342908
Energy: 1.096664067981839
Energy: 1.7058134335616726
Energy: 1.096664067981839
Energy: 1.0969809390484984
Energy: 1.0975176228384416
Energy: 1.704547302057507
Energy: 1.0975176228384416
Energy: 1.0969213694987996
Energy: 1.0978773178253096
Energy: 1.525098288043791
Energy: 1.0978773178257002
Energy: 1.3837874991957162
Energy: 1.1721418587021388
Energy: 1.6964456760155153
Energy: 1.1721418587019656
Energy: 1.0748169853663987
Energy: 1.221524090317222
Energy: 1.699972370648334
Energy: 1.2215240903177857
Energy: 1.0750866042773284
Energy: 1.2207051829293942
Energy: 1.4878916122641415
Energy: 1.2207051829286353
Energy: 1.426771578972836
Energy: 1.2210494261368299
Energy: 1.5417565836496452
Energy: 1.2210494261370035
Energy: 1.703953574515396
Energy: 1.2212116342376091
Energy: 1.4879930449604843
Energy: 1.2212116342332289
Energy: 1.6669223844343966
Energy: 1.0969660772990038
Energy: 1.3838511147071682
Energy: 1.0969660772986136

minimum gb energy = 1.0747019696880185 eV
minimum distance =  2.39868289703266 Angstroms
sigma value = 25


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

Energy: 1.742316857010381
Energy: 1.250041967155918
Energy: 1.201253809013074
Energy: 1.1999390648392538
Energy: 1.4899484385525483
Energy: 1.231526290690973
Energy: 1.2310509888551786
Energy: 1.231526290691214
Energy: 1.5703827141428612
Energy: 1.1996888487097812
Energy: 1.1999198350366662
Energy: 1.1996888487099957
Energy: 1.5743288655248848
Energy: 1.2152233910081687
Energy: 1.2149373957298308
Energy: 1.2152233910091073
Energy: 1.4691189917739769
Energy: 1.2685071768773963
Energy: 1.509637790603675
Energy: 1.2685071768780933
Energy: 1.5701238813813636
Energy: 1.2997964918313767
Energy: 1.5701449148237987
Energy: 1.2997964918316183
Energy: 1.5046085804171412
Energy: 1.2682045943915397
Energy: 1.6193106548972003
Energy: 1.268204594391298
Energy: 1.2157034671403733
Energy: 1.2154487669852165
Energy: 1.6219579095879118
Energy: 1.2154487669847338
Energy: 1.2165845370317299
Energy: 1.1997269694617239
Energy: 1.575290064548686
Energy: 1.1997269694610264
Energy: 1.2318443136519812
Energy: 1.2304885166595838
Energy: 1.573800537743033
Energy: 1.2304885166600399
Energy: 1.2145533443803662
Energy: 1.2012412827740857
Energy: 1.5696596304494306
Energy: 1.2012412827750512
Energy: 1.4234758502021732
Energy: 1.2310784784701545
Energy: 1.5690904048350964
Energy: 1.231078478471093
Energy: 1.4296461943707393
Energy: 1.200364992087805
Energy: 1.5742294713327147
Energy: 1.200364992087805
Energy: 1.4311574053634306
Energy: 1.2014628494912636
Energy: 1.435266606770943
Energy: 1.2014628494915047
Energy: 1.4523472223066027
Energy: 1.2001876916388838
Energy: 1.477052091015915
Energy: 1.2001876916391252
Energy: 1.504203599914129
Energy: 1.2002920503890937
Energy: 1.4302556942476568
Energy: 1.2002920503895762
Energy: 1.491456402505206
Energy: 1.2007594697762032
Energy: 1.360744029993765
Energy: 1.2007594697757205

minimum gb energy = 1.1996888487097812 eV
minimum distance =  2.37053481377133 Angstroms
sigma value = 17


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

Energy: 1.655654448250657
Energy: 1.2428664877682916
Energy: 1.238532636228881
Energy: 1.2403337109475274
Energy: 1.4772508562863769
Energy: 1.23848702582434
Energy: 1.450873105349789
Energy: 1.2384870258230036
Energy: 1.4961639650222625
Energy: 1.2393370554260532
Energy: 1.2376823267458346
Energy: 1.2393370554260532
Energy: 1.4881277904016035
Energy: 1.2387587018828938
Energy: 1.2397740846891643
Energy: 1.2387587018828938
Energy: 1.477419193945837
Energy: 1.2975567723399433
Energy: 1.4859500716617322
Energy: 1.2975567723399433
Energy: 1.4927012641423352
Energy: 1.2270615647091785
Energy: 1.4917652110668653
Energy: 1.2270615647078422
Energy: 1.3914178000554571
Energy: 1.2272050438077393
Energy: 1.467550586446761
Energy: 1.2272050438090756
Energy: 1.2678831096242482
Energy: 1.2680017188410566
Energy: 1.4957395627370738
Energy: 1.2680017188410566
Energy: 1.2490828647990302
Energy: 1.22738120485005
Energy: 1.4956050057072154
Energy: 1.22738120485005
Energy: 1.2544525585621658
Energy: 1.2293965253702077
Energy: 1.4915944324004138
Energy: 1.2293965253702077
Energy: 1.2680994158456451
Energy: 1.2282505569277837
Energy: 1.4719807467103316
Energy: 1.2282505569291204
Energy: 1.4968042233931318
Energy: 1.2556168753618016
Energy: 1.4899074796099465
Energy: 1.2556168753618016
Energy: 1.4722126916142741
Energy: 1.2312718681040118
Energy: 1.4967432530836338
Energy: 1.2312718681040118
Energy: 1.472800340362833
Energy: 1.2263549728901388
Energy: 1.2671055058612448
Energy: 1.2263549728901388
Energy: 1.4860460002792928
Energy: 1.2269486367370048
Energy: 1.254019875484056
Energy: 1.2269486367370048
Energy: 1.4854765206639662
Energy: 1.2275106618645788
Energy: 1.2450485710617407
Energy: 1.2275106618645788
Energy: 1.4849922624490164
Energy: 1.2261915094006193
Energy: 1.2250547028336893
Energy: 1.2261915094019558
Energy: 1.485782852543387
Energy: 1.2257026242543694
Energy: 1.4528166894406898
Energy: 1.2257026242543694
Energy: 1.4858187311922602
Energy: 1.3127644944570984
Energy: 1.4942027332988053
Energy: 1.3127644944570984
Energy: 1.2685003459447721
Energy: 1.296902673319944
Energy: 1.5523388075989113
Energy: 1.2969026733186075
Energy: 1.2380555393620738
Energy: 1.239677365781721
Energy: 1.492458604058218
Energy: 1.239677365781721
Energy: 1.2386776772658599
Energy: 1.2391443968770848
Energy: 1.494662592248196
Energy: 1.239144396878421
Energy: 1.3571768272647398
Energy: 1.3283056447518455
Energy: 1.4902308187232571
Energy: 1.3283056447518455
Energy: 1.315226520338447
Energy: 1.2398674140205161
Energy: 1.4918924447688993
Energy: 1.239867414017843
Energy: 1.3847788717150775
Energy: 1.2386066694819675
Energy: 1.494453153406968
Energy: 1.2386066694832736
Energy: 1.3603124238212987
Energy: 1.2379987638794796
Energy: 1.4949411262112409
Energy: 1.2379987638794796
Energy: 1.3850840306892642
Energy: 1.3294852990117165
Energy: 1.3649330615007373
Energy: 1.3294852990130532
Energy: 1.4969971257136199
Energy: 1.2376516710625811
Energy: 1.3613861862715948
Energy: 1.2376516710639174
Energy: 1.4949166366824922
Energy: 1.2390262729201906
Energy: 1.38416786682199
Energy: 1.2390262729201906
Energy: 1.5090086295357723
Energy: 1.2398290442514264
Energy: 1.3902784477084886
Energy: 1.2398290442514264

minimum gb energy = 1.2250547028336893 eV
minimum distance =  2.35704932650866 Angstroms
sigma value = 53


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

Energy: 1.5869240235272934
Energy: 1.5814832587430034
Energy: 1.5250069956479768
Energy: 1.925666524377428
Energy: 1.5491582485681508
Energy: 1.5226656824672686
Energy: 1.5198490288075521
Energy: 1.5226656824672686
Energy: 1.3110192065966928
Energy: 1.229544818204199
Energy: 1.5176572700660562
Energy: 1.229544818204199
Energy: 1.3100855484975784
Energy: 1.3693469872454886
Energy: 1.6647074370561783
Energy: 1.3693469872467126
Energy: 1.4467901432899601
Energy: 1.2264248739206542
Energy: 1.2342944947856025
Energy: 1.2264248739203394
Energy: 1.3092130561078743
Energy: 1.1438726381693978
Energy: 1.3253759275926185
Energy: 1.1438726381691182
Energy: 1.308799622517126
Energy: 1.1476682162296044
Energy: 1.1443502076530945
Energy: 1.1476682162302334
Energy: 1.3057035862855322
Energy: 1.226928649083737
Energy: 1.1451004515078833
Energy: 1.2269286490834221
Energy: 1.3082411269171266
Energy: 1.145725456229235
Energy: 1.14313223283997
Energy: 1.1457254562295494
Energy: 1.3087846550097255
Energy: 1.2253904457018971
Energy: 1.672299494892243
Energy: 1.2253904457022118
Energy: 1.3115938798610132
Energy: 1.1459493881031242
Energy: 1.6725170926630084
Energy: 1.1459493881031242
Energy: 1.4467929388145584
Energy: 1.2338392499149273
Energy: 1.6712060888464568
Energy: 1.2338392499158366
Energy: 1.5922795390497917
Energy: 1.6408331279517203
Energy: 1.6720296489807962
Energy: 1.6408331279517203

minimum gb energy = 1.14313223283997 eV
minimum distance =  2.30149105645097 Angstroms
sigma value = 9


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

Energy: 1.7280571190174185
Energy: 1.432905937791492
Energy: 1.8739247973453725
Energy: 1.4258438325615328
Energy: 1.565354795260419
Energy: 1.4120107460899518
Energy: 1.565421861269785
Energy: 1.412010746088813
Energy: 1.3519976150197737
Energy: 1.354796263859081
Energy: 1.3521250023339535
Energy: 1.3547962638579423
Energy: 1.351736397500419
Energy: 1.3556978256307228
Energy: 1.350263882294101
Energy: 1.3556978256318615
Energy: 1.347154511605816
Energy: 1.3532843611149372
Energy: 1.3516921228554992
Energy: 1.3532843611160759
Energy: 1.5215012562780024
Energy: 1.3291380741543992
Energy: 1.4645422071719347
Energy: 1.329138074152122
Energy: 1.565633412608315
Energy: 1.5308497390720819
Energy: 1.647243223967128
Energy: 1.5308497390743072
Energy: 1.6849603179297339
Energy: 1.5660932205633773
Energy: 1.6469819292517813
Energy: 1.566093220565655
Energy: 1.5429329174156494
Energy: 1.2913774693507856
Energy: 1.4372017189955435
Energy: 1.2913774693507856
Energy: 1.412442495605
Energy: 1.3944429326199252
Energy: 1.2918359053833275
Energy: 1.394442932621064
Energy: 1.570113625826243
Energy: 1.2916246808058718
Energy: 1.2876603907001274
Energy: 1.2916246808092882
Energy: 1.548714790840921
Energy: 1.3833276448876421
Energy: 1.439189976049189
Energy: 1.383327644888781
Energy: 1.650039291704486
Energy: 1.4561062719375004
Energy: 1.4559718214110193
Energy: 1.4561062719363616
Energy: 1.6503345649784367
Energy: 1.419762060419313
Energy: 1.590105042765337
Energy: 1.419762060419313
Energy: 1.607069424160513
Energy: 1.320427616574681
Energy: 1.6998575648932917
Energy: 1.3204276165724034
Energy: 1.41696074769913
Energy: 1.3278075983210813
Energy: 1.6678238698560666
Energy: 1.3278075983210813
Energy: 1.3170335237093436
Energy: 1.3176207360565024
Energy: 1.667106937510619
Energy: 1.3176207360565024
Energy: 1.3900629066984718
Energy: 1.4097582326659155
Energy: 1.620763929912254
Energy: 1.4097582326647768
Energy: 1.3684514467488236
Energy: 1.3632364588309878
Energy: 1.6373264982986622
Energy: 1.3632364588309878
Energy: 1.3694833708499285
Energy: 1.3777694246664083
Energy: 1.6613628885410412
Energy: 1.377769424668686
Energy: 1.6473925779638738
Energy: 1.3705928037917356
Energy: 1.633420548285964
Energy: 1.3705928037917356
Energy: 1.6469048441259264
Energy: 1.3708376681463879
Energy: 1.6325909118223831
Energy: 1.3708376681441101
Energy: 1.6518143439295923
Energy: 1.3708528414569987
Energy: 1.3701138337708454
Energy: 1.3708528414763066
Energy: 1.64943437593709
Energy: 1.434369765179862
Energy: 1.3710418871857457
Energy: 1.434369765178723
Energy: 1.6981125816855254
Energy: 1.3274023882444226
Energy: 1.3146813695062811
Energy: 1.3274023882432837
Energy: 1.5388646154194785
Energy: 1.3289667583950304
Energy: 1.3184315110662719
Energy: 1.3289667583938918
Energy: 1.66713623715012
Energy: 1.3182203901934695
Energy: 1.6088555672103657
Energy: 1.3182203901911917
Energy: 1.6973813579945778
Energy: 1.4575468887021987
Energy: 1.6495606505900213
Energy: 1.4575468887010599
Energy: 1.4554992691417192
Energy: 1.4052617284719657
Energy: 1.6478780360635468
Energy: 1.4052617284731046
Energy: 1.4549790787497656
Energy: 1.473273693091641
Energy: 1.6418958774316441
Energy: 1.4732736930939185
Energy: 1.2913929687417247
Energy: 1.3300851212683116
Energy: 1.5473385956265981
Energy: 1.3300851212683116
Energy: 1.2915537158561592
Energy: 1.2925698690673635
Energy: 1.543128203993111
Energy: 1.2925698690673635
Energy: 1.2899754047985654
Energy: 1.3958079744762293
Energy: 1.5408139436028816
Energy: 1.3958079744762293
Energy: 1.4397964170275888
Energy: 1.3290569498530984
Energy: 1.6823523826150435
Energy: 1.3290569498519595
Energy: 1.6419663022555484
Energy: 1.531068896497741
Energy: 1.59116832130385
Energy: 1.531068896497741

minimum gb energy = 1.2876603907001274 eV
minimum distance =  2.30555293991385 Angstroms
sigma value = 73


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

Energy: 1.9148455946376788
Energy: 1.5185393654367738
Energy: 1.5157696125821776
Energy: 1.4856085756888806
Energy: 1.6770405441350476
Energy: 1.4520454263542972
Energy: 1.5414965868941668
Energy: 1.4520454263542972
Energy: 1.384349590482928
Energy: 1.368270850468597
Energy: 1.3862499346537147
Energy: 1.3682708504684122
Energy: 1.3865712713069225
Energy: 1.3961028237781945
Energy: 1.3843758241135289
Energy: 1.3961028237781945
Energy: 1.3784864405057315
Energy: 1.3838322765590714
Energy: 1.3859725285651023
Energy: 1.3838322765587014
Energy: 1.5164465363975295
Energy: 1.35731210437052
Energy: 1.5124406406655149
Energy: 1.3573121043706844
Energy: 1.5423263348430283
Energy: 1.5417495560081471
Energy: 1.774078000480464
Energy: 1.5417495560085168
Energy: 1.7270370041099588
Energy: 1.4851318957761492
Energy: 1.774319688222982
Energy: 1.4851318957763342
Energy: 1.6821922098167739
Energy: 1.3012141011830958
Energy: 1.5120096750726966
Energy: 1.301214101182911
Energy: 1.4812720232837642
Energy: 1.2998802993025447
Energy: 1.2994957542187668
Energy: 1.2998802992936953
Energy: 1.6779904549359157
Energy: 1.2983930862419442
Energy: 1.2967462386808943
Energy: 1.2983930862419442
Energy: 1.6244667840476656
Energy: 1.4357968010722133
Energy: 1.395142582386289
Energy: 1.4357968010731164
Energy: 1.6640121761800306
Energy: 1.3852112227535314
Energy: 1.3849780555660929
Energy: 1.3852112227537159
Energy: 1.6638549788101629
Energy: 1.3859409866505168
Energy: 1.661910124934308
Energy: 1.3859409866508865
Energy: 1.743010607487062
Energy: 1.331051221256082
Energy: 1.7427387590392829
Energy: 1.3310512212562668
Energy: 1.5062780329406897
Energy: 1.3856315396844268
Energy: 1.8236092136990953
Energy: 1.3856315396844268
Energy: 1.3854119083312026
Energy: 1.3848050843523148
Energy: 1.845229389287504
Energy: 1.384805084351596
Energy: 1.3780670979501872
Energy: 1.4160576943641767
Energy: 1.6719839550116886
Energy: 1.416057694363807
Energy: 1.2990657183188001
Energy: 1.2983145001853886
Energy: 1.6786216921375843
Energy: 1.2983145001944225
Energy: 1.3012103555295698
Energy: 1.2998056052777014
Energy: 1.6774116342458407
Energy: 1.2998056052773523
Energy: 1.5141777287590739
Energy: 1.3004034695293971
Energy: 1.706980384869289
Energy: 1.3004034695301157
Energy: 1.835959670377068
Energy: 1.447152669558449
Energy: 1.699920529878836
Energy: 1.4471526695582642

minimum gb energy = 1.2967462386808943 eV
minimum distance =  2.33574953176191 Angstroms
sigma value = 7


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

Energy: 2.385854845669512
Energy: 1.4324664433482828
Energy: 1.4808015280175928
Energy: 1.4799269112401476
Energy: 1.74543457320485
Energy: 1.3935183671090443
Energy: 1.5843226937203931
Energy: 1.3935183671090443
Energy: 1.410814571171831
Energy: 1.3327509139375362
Energy: 1.4097498245394284
Energy: 1.3327509139375362
Energy: 1.409954180583271
Energy: 1.3337320380271986
Energy: 1.4045701181697134
Energy: 1.3337320380284763
Energy: 1.4047298088147946
Energy: 1.39092835568394
Energy: 1.4127030626347405
Energy: 1.39092835568394
Energy: 1.5137129227284765
Energy: 1.3908926697546375
Energy: 1.5218261797569967
Energy: 1.3908926697546375
Energy: 1.517372708236867
Energy: 1.5870938391543155
Energy: 1.676557878260162
Energy: 1.5870938391543155
Energy: 1.715340423533148
Energy: 1.3923411080177555
Energy: 1.7790042462406692
Energy: 1.3923411080177555
Energy: 1.6881489035040271
Energy: 1.3287389455254819
Energy: 1.5212336777146274
Energy: 1.3287389455254819
Energy: 1.5425651214841511
Energy: 1.3317882697615824
Energy: 1.3313130067604075
Energy: 1.3317882697615824
Energy: 1.6879793868186996
Energy: 1.3283676175531793
Energy: 1.3240539746872855
Energy: 1.3283676175531793
Energy: 1.6102730075925702
Energy: 1.2909152377918913
Energy: 1.3287799365629906
Energy: 1.2909152377918913
Energy: 1.6905992074720955
Energy: 1.3281129261427775
Energy: 1.3279590215520451
Energy: 1.3281129261427775
Energy: 1.6915144919425114
Energy: 1.33146205166073
Energy: 1.521879953043929
Energy: 1.33146205166073
Energy: 1.7185747069177904
Energy: 1.3919697686197798
Energy: 1.5214127306460155
Energy: 1.3919697686197798
Energy: 1.6959267342973212
Energy: 1.5180757843414758
Energy: 1.755886013965321
Energy: 1.5180757843414758
Energy: 1.5864806530373992
Energy: 1.393186050396437
Energy: 1.7450701857207078
Energy: 1.3931860503977147
Energy: 1.411303373456416
Energy: 1.337461935976504
Energy: 1.4109293320153342
Energy: 1.3374619359752264
Energy: 1.405728829935056
Energy: 1.3898300208944108
Energy: 1.4116521306877508
Energy: 1.3898300208944108
Energy: 1.4129656993341888
Energy: 1.3899201043110707
Energy: 1.4076195255498607
Energy: 1.3899201043110707
Energy: 1.520062516158538
Energy: 1.3365887469686086
Energy: 1.4768976567714136
Energy: 1.3365887469686086
Energy: 1.6773709722045693
Energy: 1.5187839048228444
Energy: 1.517789076073481
Energy: 1.5187839048228444
Energy: 1.6778045974128395
Energy: 1.519018643032548
Energy: 1.7166474683885626
Energy: 1.519018643032548
Energy: 1.5221996525385664
Energy: 1.3277227408744163
Energy: 1.6852979376804327
Energy: 1.3277227408744163
Energy: 1.5202085624801152
Energy: 1.3319376846003805
Energy: 1.5422991884979715
Energy: 1.3319376846003805
Energy: 1.325782913067524
Energy: 1.3292988613841559
Energy: 1.5382661867021674
Energy: 1.3292988613841559
Energy: 1.2867598088450394
Energy: 1.2887443061410009
Energy: 1.6075769188157767
Energy: 1.2887443061410009
Energy: 1.326372253694851
Energy: 1.3275465043218155
Energy: 1.6869887574677258
Energy: 1.3275465043218155
Energy: 1.3290142835485474
Energy: 1.4579836759796185
Energy: 1.6921736126528908
Energy: 1.4579836759796185
Energy: 1.5212752783138295
Energy: 1.3272625799320101
Energy: 1.6870823638975874
Energy: 1.3272625799332873
Energy: 1.7429067611333684
Energy: 1.3932702993513966
Energy: 1.7731343291932078
Energy: 1.3932702993513966

minimum gb energy = 1.2867598088450394 eV
minimum distance =  2.34063462666312 Angstroms
sigma value = 29


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

Energy: 1.7247206873533538
Energy: 1.1962726687068288
Energy: 1.385348412789186
Energy: 1.3886088114853272
Energy: 1.5693689696072743
Energy: 1.2555069534414414
Energy: 1.479426673188843
Energy: 1.2555069534392658
Energy: 1.3832571401226483
Energy: 1.2552293271748818
Energy: 1.3868012464790924
Energy: 1.2552293271731512
Energy: 1.3840852362052631
Energy: 1.253673270017984
Energy: 1.1576109951593792
Energy: 1.2536732700149433
Energy: 1.3825289860784302
Energy: 1.2522703754713889
Energy: 1.390992728064027
Energy: 1.2522703754731193
Energy: 1.3817452370629413
Energy: 1.2526598194348681
Energy: 1.46182686208342
Energy: 1.2526598194370442
Energy: 1.482768191982342
Energy: 1.4818365761311973
Energy: 1.3668487260302373
Energy: 1.4818365761316425
Energy: 1.481241430234857
Energy: 1.2554391683951611
Energy: 1.4608494574939437
Energy: 1.25543916839123
Energy: 1.5688680772919061
Energy: 1.2561006711889315
Energy: 1.5195313687164516
Energy: 1.2561006711928624

minimum gb energy = 1.1576109951593792 eV
minimum distance =  2.39887577649109 Angstroms
sigma value = 5


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

Energy: 1.726362763684017
Energy: 1.5604072821747716
Energy: 1.685735467145792
Energy: 1.6880177556486602
Energy: 1.400498076607892
Energy: 1.2711836231871865
Energy: 1.6417032197622448
Energy: 1.2711836231859797
Energy: 1.2706438825085098
Energy: 1.2771508871003128
Energy: 1.6331156659705635
Energy: 1.2771508871015198
Energy: 1.2677138291567167
Energy: 1.2784982219941459
Energy: 1.5656249960394404
Energy: 1.278498221995353
Energy: 1.2695450378988482
Energy: 1.2792350360847562
Energy: 1.5321388605888835
Energy: 1.2792350360859632
Energy: 1.3181718459662903
Energy: 1.3380668171490544
Energy: 1.5146346649074371
Energy: 1.3380668171490544
Energy: 1.3198557790077101
Energy: 1.3381391650081154
Energy: 1.5089785194357594
Energy: 1.3381391650069085
Energy: 1.3230263285662611
Energy: 1.3356849495451968
Energy: 1.5067078052972593
Energy: 1.3356849495464036
Energy: 1.3231528931769148
Energy: 1.3384007515957808
Energy: 1.4801012884681366
Energy: 1.3384007515945737
Energy: 1.621445345899181
Energy: 1.481547361060559
Energy: 1.6122937335770096
Energy: 1.481547361060559
Energy: 1.5271736257427784
Energy: 1.3620655832254938
Energy: 1.528969485608651
Energy: 1.3620655832195143
Energy: 1.6200662320334487
Energy: 1.3928137172751072
Energy: 1.687465241276976
Energy: 1.3928137172714867
Energy: 1.53495633837558
Energy: 1.5303931219608278
Energy: 1.6894951004071284
Energy: 1.5303931219584141
Energy: 1.3224200328327134
Energy: 1.3626727862661516
Energy: 1.3229205609642447
Energy: 1.3626727862770132
Energy: 1.5082144379450309
Energy: 1.3366402740150958
Energy: 1.3229904631265381
Energy: 1.3366402740175094
Energy: 1.5052033243539926
Energy: 1.336134813904726
Energy: 1.3215645181861866
Energy: 1.3361348139071394
Energy: 1.4070863215174643
Energy: 1.3391871549608863
Energy: 1.3223145666466842
Energy: 1.3391871549608863
Energy: 1.6313323745728967
Energy: 1.2772057589233057
Energy: 1.2650994852626898
Energy: 1.2772057589220989
Energy: 1.632835086023032
Energy: 1.2800746420486393
Energy: 1.2700109145925207
Energy: 1.2800746420474323
Energy: 1.6293881199089106
Energy: 1.2782811537623127
Energy: 1.2702324264373097
Energy: 1.2782811537635197
Energy: 1.6503996777046102
Energy: 1.3670691715606615
Energy: 1.5392485306507553
Energy: 1.3670691721348485
Energy: 1.7828997335894168
Energy: 1.5707123077246181
Energy: 1.5391705426141167
Energy: 1.5707123077234113
Energy: 1.6623772936492143
Energy: 1.279022044370918
Energy: 1.3768018688307242
Energy: 1.2790220443697111
Energy: 1.6976766976241504
Energy: 1.3274447937519118
Energy: 1.378269224248687
Energy: 1.3274447937494984
Energy: 1.6935500267798638
Energy: 1.2782631405070315
Energy: 1.326367808868761
Energy: 1.278263140508238
Energy: 1.3988590173471804
Energy: 1.3686569367819965
Energy: 1.4014088018189976
Energy: 1.3686569367819965
Energy: 1.3962606376469409
Energy: 1.3754556449954574
Energy: 1.398647311789758
Energy: 1.3754556449966642
Energy: 1.3992895225064037
Energy: 1.365284879575185
Energy: 1.3970000025140168
Energy: 1.365284879576392
Energy: 1.26975700718208
Energy: 1.4555328656765056
Energy: 1.3993952217984016
Energy: 1.4555328656752984
Energy: 1.3253641909748144
Energy: 1.3265702753952904
Energy: 1.6260914132227051
Energy: 1.3265702753952904
Energy: 1.3783618602684846
Energy: 1.3271569072386327
Energy: 1.626163235029381
Energy: 1.3271569072398395
Energy: 1.377277361469684
Energy: 1.2717595614849748
Energy: 1.6324127633374736
Energy: 1.2717595614849748
Energy: 1.3418069914104152
Energy: 1.5938901519207778
Energy: 1.7430243985166904
Energy: 1.5938901519461215

minimum gb energy = 1.2650994852626898 eV
minimum distance =  2.28623241482961 Angstroms
sigma value = 1


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

Energy: 2.048990844965333
Energy: 1.2112899980245313
Energy: 1.5409574457913744
Energy: 1.5390979252485848
Energy: 1.5104952512617686
Energy: 1.2788763686273914
Energy: 1.2728615566132226
Energy: 1.27887636862906
Energy: 1.2743884653114612
Energy: 1.277184395053331
Energy: 1.5096419724764503
Energy: 1.277184395053331
Energy: 1.2717293779134
Energy: 1.2780484442510538
Energy: 1.3254557221158452
Energy: 1.2780484442527225
Energy: 1.2735045498767623
Energy: 1.2838433654407584
Energy: 1.3748233028267942
Energy: 1.2838433654407584
Energy: 1.2722393068098972
Energy: 1.2825346970576663
Energy: 1.3749851477338284
Energy: 1.2825346970576663
Energy: 1.2718713652783378
Energy: 1.2800218591398476
Energy: 1.510977469796996
Energy: 1.2800218591398476
Energy: 1.2739638057655611
Energy: 1.2774437439221176
Energy: 1.5073093174309946
Energy: 1.2774437439221176
Energy: 1.2764516278934284
Energy: 1.300337764717448
Energy: 1.272794969015239
Energy: 1.300337764717448
Energy: 1.4885568915109337
Energy: 1.2728251729457054
Energy: 1.6006415904053926
Energy: 1.2728251729473739
Energy: 1.2769864436972143
Energy: 1.2999299453283488
Energy: 1.2759056171414902
Energy: 1.2999299453283488
Energy: 1.2759560407051114
Energy: 1.2777871977523454
Energy: 1.663966716122582
Energy: 1.2777871977523454
Energy: 1.2705376788619167
Energy: 1.280299973729868
Energy: 1.6637495825896085
Energy: 1.280299973729868
Energy: 1.2726484314782738
Energy: 1.2980134200088922
Energy: 1.2734194984146374
Energy: 1.2980134200088922
Energy: 1.3250965772931267
Energy: 1.2792318038401875
Energy: 1.273790700680937
Energy: 1.2792318038401875
Energy: 1.3276283372056326
Energy: 1.2769611436151391
Energy: 1.2759238134411452
Energy: 1.2769611436151391
Energy: 1.3714432057333712
Energy: 1.3158640656722826
Energy: 1.2755276862254077
Energy: 1.3158640656722826
Energy: 1.509498224925753
Energy: 1.2772444352823056
Energy: 1.2733457841385032
Energy: 1.2772444352823056
Energy: 1.5119273818251207
Energy: 1.279962664003042
Energy: 1.2731498319476042
Energy: 1.2799626640014112
Energy: 1.443546884639508
Energy: 1.2806073214229032
Energy: 1.2738320083638046
Energy: 1.2806073214229032
Energy: 1.2701775124249275
Energy: 1.2781142733525088
Energy: 1.4892913507649312
Energy: 1.2781142733508404
Energy: 1.5534955201572496
Energy: 1.2789489085417807
Energy: 1.489574487457971
Energy: 1.2789489085417807
Energy: 1.2759465973178097
Energy: 1.298463118138685
Energy: 1.2737737079651466
Energy: 1.298463118138685
Energy: 1.6637910022723914
Energy: 1.2805135309706455
Energy: 1.275330181639596
Energy: 1.2805135309706455

minimum gb energy = 1.2112899980245313 eV
minimum distance =  2.30614154073718 Angstroms
sigma value = 17


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

Energy: 1.7391369202079034
Energy: 1.664571524631621
Energy: 1.8271825384654803
Energy: 1.7736050321756625
Energy: 1.2602152666942994
Energy: 1.4112895946825952
Energy: 1.3166293000016196
Energy: 1.411289594683627
Energy: 1.250241685425328
Energy: 1.2574336666736121
Energy: 1.5947299998631208
Energy: 1.2574336666767063
Energy: 1.2513913991146284
Energy: 1.259506738202971
Energy: 1.5908244612353144
Energy: 1.259506738202971
Energy: 1.2531675953017085
Energy: 1.2598133355314785
Energy: 1.318135467268686
Energy: 1.2598133355314785
Energy: 1.368490576832606
Energy: 1.3360519663499046
Energy: 1.3685447430008568
Energy: 1.3360519663488732
Energy: 1.3678732166115064
Energy: 1.3362253582128512
Energy: 1.3671522123172868
Energy: 1.3362253582128512
Energy: 1.3677067061600958
Energy: 1.335859482687215
Energy: 1.3658151481805254
Energy: 1.3358594826861836
Energy: 1.31980908204275
Energy: 1.2581144430039033
Energy: 1.2498755440918674
Energy: 1.2581144430018403
Energy: 1.5394015082480859
Energy: 1.259212795955691
Energy: 1.2504447566430472
Energy: 1.259212795955691
Energy: 1.6306943833985241
Energy: 1.2589861034984984
Energy: 1.2507437719558454
Energy: 1.2589861034995298
Energy: 1.316706925944443
Energy: 1.3263398935227186
Energy: 1.4888393532104813
Energy: 1.3263398935247812
Energy: 1.7826280185511396
Energy: 1.434788534651879
Energy: 1.4887972122163213
Energy: 1.434788534653942
Energy: 1.4928806768035898
Energy: 1.260504752674835
Energy: 1.2506901859747241
Energy: 1.2605047526768973
Energy: 1.5883204647057192
Energy: 1.2478501082670896
Energy: 1.3577025598597343
Energy: 1.2478501082670896
Energy: 1.6704677775562728
Energy: 1.256937321692486
Energy: 1.3328193877171595
Energy: 1.256937321692486
Energy: 1.3178216429641634
Energy: 1.3286689048439593
Energy: 1.4415596778014246
Energy: 1.3286689048418967
Energy: 1.3191912434455202
Energy: 1.3298995325942742
Energy: 1.4435029531724861
Energy: 1.3298995325973684
Energy: 1.3196759801903228
Energy: 1.3248248736331574
Energy: 1.441608702579276
Energy: 1.3248248736352202
Energy: 1.3446579341644749
Energy: 1.404557668199108
Energy: 1.4587387481078744
Energy: 1.4045576681980763
Energy: 1.280696713709083
Energy: 1.2951621606941561
Energy: 1.542134852509846
Energy: 1.2951621606941561
Energy: 1.2802491930414968
Energy: 1.2964821055462095
Energy: 1.5430062779529747
Energy: 1.2964821055472406
Energy: 1.280636673130331
Energy: 1.3003527507844836
Energy: 1.2788689101135868
Energy: 1.3003527507813897
Energy: 1.6421919953646424
Energy: 1.4471416949002236
Energy: 1.4482017769053468
Energy: 1.4471416949022864
Energy: 1.492313780295293
Energy: 1.295613631091681
Energy: 1.3864520867636108
Energy: 1.2956136310896182
Energy: 1.3857010897126318
Energy: 1.2969204175074363
Energy: 1.2801018226736514
Energy: 1.2969204175074363
Energy: 1.5839728944562177
Energy: 1.5648371844491882
Energy: 1.698906776646308
Energy: 1.564837184448157
Energy: 1.2785302246768298
Energy: 1.2958417826170976
Energy: 1.296349470151706
Energy: 1.2958417826170976
Energy: 1.5448543257843774
Energy: 1.2956247810691601
Energy: 1.280305427711108
Energy: 1.2956247810681285
Energy: 1.4899835746339936
Energy: 1.2990844889636224
Energy: 1.2792065432323698
Energy: 1.2990844889594966
Energy: 1.5165333948203927
Energy: 1.2983490556850137
Energy: 1.2801631713659702
Energy: 1.298349055686045
Energy: 1.4498508056445685
Energy: 1.3306714850583028
Energy: 1.3176398896412873
Energy: 1.3306714850624284
Energy: 1.4434542610438048
Energy: 1.3273538506588125
Energy: 1.3185805864640945
Energy: 1.3273538506598441
Energy: 1.443124050714986
Energy: 1.324873441589288
Energy: 1.3181322014811996
Energy: 1.3248734415903196
Energy: 1.2538976462869154
Energy: 1.2582623357647744
Energy: 1.3174307947150272
Energy: 1.2582623357627118
Energy: 1.3528723408785206
Energy: 1.3529789587594878
Energy: 1.6286808023041395
Energy: 1.3529789587615506
Energy: 1.3574639576413718
Energy: 1.2583402818115805
Energy: 1.3192007586684729
Energy: 1.2583402818095646
Energy: 1.2946102530330665
Energy: 1.326822725931991
Energy: 1.3171238302811326
Energy: 1.326822725931991

minimum gb energy = 1.2478501082670896 eV
minimum distance =  2.28842313231731 Angstroms
sigma value = 89


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

Energy: 2.222909650441441
Energy: 1.2018913495625265
Energy: 1.5634844752364943
Energy: 1.5049378853428363
Energy: 1.234811043946721
Energy: 1.2354726216173093
Energy: 1.2217346125341069
Energy: 1.235472621617585
Energy: 1.2244278900312484
Energy: 1.232587925534005
Energy: 1.378997558666435
Energy: 1.2325879255326555
Energy: 1.2202292948584574
Energy: 1.2337617649096826
Energy: 1.3783587338353431
Energy: 1.2337617649131785
Energy: 1.2232976765591546
Energy: 1.260257767513787
Energy: 1.3393484905602115
Energy: 1.260257767513787
Energy: 1.3162465399053973
Energy: 1.2575989943144081
Energy: 1.316399077455362
Energy: 1.2575989943138868
Energy: 1.3163887199985371
Energy: 1.2535646529316633
Energy: 1.3158529133089778
Energy: 1.2535646529359872
Energy: 1.3647723449490379
Energy: 1.257978017966564
Energy: 1.3144429591359588
Energy: 1.257978017966012
Energy: 1.3391216037585518
Energy: 1.2342234038614293
Energy: 1.2207698374362368
Energy: 1.2342234038619506
Energy: 1.3397919631603654
Energy: 1.2359155821794834
Energy: 1.2232273612033289
Energy: 1.2359155821797285
Energy: 1.3393634046509613
Energy: 1.2322644394299547
Energy: 1.224660467149385
Energy: 1.2322644394294333
Energy: 1.2211836143712567
Energy: 1.2320109772802321
Energy: 1.5070893667667606
Energy: 1.2320109772826549
Energy: 1.2229845003475532
Energy: 1.2204153710542613
Energy: 1.326925211898897
Energy: 1.2204153710545373
Energy: 1.2228697867685652
Energy: 1.3045694058283612
Energy: 1.2240615782473094
Energy: 1.3045694058289132
Energy: 1.2347676880046177
Energy: 1.2328329352460987
Energy: 1.223863090104269
Energy: 1.2328329352469265

minimum gb energy = 1.2018913495625265 eV
minimum distance =  2.29353561053352 Angstroms
sigma value = 13


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

Energy: 1.433657163300728
Energy: 1.1804471321184684
Energy: 1.488450085885763
Energy: 1.4547994086613083
Energy: 1.1986180408303184
Energy: 1.201399937042833
Energy: 1.1911069809660797
Energy: 1.201399937042833
Energy: 1.190864233485956
Energy: 1.198629645594635
Energy: 1.400004397811068
Energy: 1.198629645594635
Energy: 1.1886285914241925
Energy: 1.197831598606288
Energy: 1.3955907453538425
Energy: 1.197831598606288
Energy: 1.1951589918156544
Energy: 1.2207883835249203
Energy: 1.2373135380096958
Energy: 1.2207883835249203
Energy: 1.3384233832554102
Energy: 1.1996488142568476
Energy: 1.2350953862307847
Energy: 1.1996488142557165
Energy: 1.3331587071836664
Energy: 1.198923424807904
Energy: 1.235743096548878
Energy: 1.198923424807904
Energy: 1.3294355054311142
Energy: 1.200111106610021
Energy: 1.2349686572309615
Energy: 1.200111106610021
Energy: 1.332172484797854
Energy: 1.2008038166980084
Energy: 1.2359077296867018
Energy: 1.2008038166980084
Energy: 1.3332531898768027
Energy: 1.2005062274588594
Energy: 1.2324396250521978
Energy: 1.2005062274588594
Energy: 1.3319593739350188
Energy: 1.202879145355441
Energy: 1.2381006095416995
Energy: 1.2028791453543097
Energy: 1.189184522363021
Energy: 1.197836731158523
Energy: 1.3127946038257654
Energy: 1.197836731158523
Energy: 1.1915830270616625
Energy: 1.1972425835314704
Energy: 1.3125737117729148
Energy: 1.1972425835314704
Energy: 1.1904943825124337
Energy: 1.203588734206388
Energy: 1.3144705013728128
Energy: 1.203588734206388
Energy: 1.3101234272367879
Energy: 1.1985187674200928
Energy: 1.1912499401201908
Energy: 1.1985187674483184
Energy: 1.3113938372556702
Energy: 1.197746459922099
Energy: 1.1920058868229826
Energy: 1.197746459922099
Energy: 1.191337725125599
Energy: 1.202842316549041
Energy: 1.1914423472512938
Energy: 1.202842316549041
Energy: 1.1931680453243552
Energy: 1.1989979249454406
Energy: 1.3908132270949312
Energy: 1.1989979249454406
Energy: 1.1960694502509135
Energy: 1.198972422801296
Energy: 1.1990548749917949
Energy: 1.198972422800165
Energy: 1.3132618432537086
Energy: 1.2013395505738058
Energy: 1.190666031851999
Energy: 1.2013395505738058
Energy: 1.437166099127001
Energy: 1.2021563974035965
Energy: 1.189606555167729
Energy: 1.2021563974035965
Energy: 1.2352282149675837
Energy: 1.2029524385221795
Energy: 1.191461118621269
Energy: 1.2029524385221795
Energy: 1.2398192026636166
Energy: 1.2007492428267477
Energy: 1.3336275434372218
Energy: 1.2007492428267477
Energy: 1.2390969643199006
Energy: 1.1996437766824266
Energy: 1.2635974989517764
Energy: 1.1996437766835577
Energy: 1.2325804450138327
Energy: 1.2011314305099148
Energy: 1.3316492283358616
Energy: 1.2011314305087837
Energy: 1.2332242869647307
Energy: 1.2026702105554161
Energy: 1.333854256386338
Energy: 1.2026702105565472
Energy: 1.2349257094620019
Energy: 1.2012664448913313
Energy: 1.334605662700101
Energy: 1.2012664448913313
Energy: 1.235350115403457
Energy: 1.2021434432848173
Energy: 1.3313015147033722
Energy: 1.2021434432848173
Energy: 1.2351129841007658
Energy: 1.1995926336583191
Energy: 1.1893832052659752
Energy: 1.1995926336583191
Energy: 1.3291779343906507
Energy: 1.198660023116663
Energy: 1.192255364276829
Energy: 1.1986600231155322
Energy: 1.3142081183609247
Energy: 1.2023253553433988
Energy: 1.19047389578104
Energy: 1.2023253553433988
Energy: 1.192018018470151
Energy: 1.1979490271222162
Energy: 1.312880480259075
Energy: 1.1979490271222162
Energy: 1.1919521390581194
Energy: 1.1995593758085399
Energy: 1.308156369828815
Energy: 1.1995593758085399
Energy: 1.1917288175135943
Energy: 1.2048062117381244
Energy: 1.19045757161442
Energy: 1.2048062117369933
Energy: 1.1983674293077808
Energy: 1.1975334332276262
Energy: 1.1985440269280045
Energy: 1.1975334332276262

minimum gb energy = 1.1804471321184684 eV
minimum distance =  2.30805303069157 Angstroms
sigma value = 37


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

Energy: 1.4200765272097338
Energy: 1.1340068030372126
Energy: 1.3481501191317096
Energy: 1.3492825595857882
Energy: 1.1399243071657874
Energy: 1.1512150978644284
Energy: 1.1382108369453925
Energy: 1.151215097864052
Energy: 1.1388124510353654
Energy: 1.1473645706426225
Energy: 1.3560657971423646
Energy: 1.1473645706430204
Energy: 1.137631596213951
Energy: 1.1452452217429527
Energy: 1.356468036725281
Energy: 1.1452452217427758
Energy: 1.2574307512091438
Energy: 1.1704010982646595
Energy: 1.1637578190056241
Energy: 1.1704010982644606
Energy: 1.3028650345977502
Energy: 1.1275573093117863
Energy: 1.1593247792601535
Energy: 1.1275573093116094
Energy: 1.2367794016955933
Energy: 1.1264026614844622
Energy: 1.1594584420287113
Energy: 1.1264026614842633
Energy: 1.2375995045292418
Energy: 1.110423398700609
Energy: 1.1547003098594801
Energy: 1.110423398700609
Energy: 1.2066182866869795
Energy: 1.1088858622944113
Energy: 1.2098197400166346
Energy: 1.1088858622946107
Energy: 1.209481855066373
Energy: 1.1083356594336318
Energy: 1.209292961760074
Energy: 1.108335659433256
Energy: 1.1543137738186195
Energy: 1.1670749183494682
Energy: 1.2376224862405518
Energy: 1.167074918349645
Energy: 1.1621816847280588
Energy: 1.1271540157551712
Energy: 1.3034024729515037
Energy: 1.1271540157549944
Energy: 1.159300809441914
Energy: 1.1271939128944983
Energy: 1.3030453766978145
Energy: 1.1271939128944983
Energy: 1.162760740055059
Energy: 1.128944856288384
Energy: 1.2577439438165807
Energy: 1.128944856288185
Energy: 1.293313587068112
Energy: 1.1443379750776157
Energy: 1.1393343896880017
Energy: 1.1443379750779916
Energy: 1.2127599592148068
Energy: 1.1449749029858312
Energy: 1.1388374878213123
Energy: 1.144974902985433
Energy: 1.2717553242169684
Energy: 1.1704922397745652
Energy: 1.138910368302198
Energy: 1.1704922397737691
Energy: 1.1386351918275344
Energy: 1.1388540272475314
Energy: 1.2601728565365145
Energy: 1.1388540272473324
Energy: 1.138963332323618
Energy: 1.1466591873500116
Energy: 1.2597408211047114
Energy: 1.146659187350211
Energy: 1.1386580398587862
Energy: 1.1507315767553166
Energy: 1.138816070176161
Energy: 1.1507315767547417

minimum gb energy = 1.108335659433256 eV
minimum distance =  2.30437852148577 Angstroms
sigma value = 25


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

Energy: 1.3646692699966485
Energy: 1.052318779881588
Energy: 1.2154811383296358
Energy: 1.2150102432972867
Energy: 1.0562555963727416
Energy: 1.061732900383371
Energy: 1.0565814711088823
Energy: 1.0617329003848905
Energy: 1.0565833437435943
Energy: 1.0599131713740704
Energy: 1.0656027961837682
Energy: 1.0599131713740704
Energy: 1.0557274372927494
Energy: 1.0570006038926887
Energy: 1.0541744814403597
Energy: 1.0570006038942084
Energy: 1.06996200035959
Energy: 1.0708474298764352
Energy: 1.071071941872255
Energy: 1.0708474298764352
Energy: 1.0556121588134024
Energy: 1.038193211198474
Energy: 1.070216426981489
Energy: 1.0381932111999936
Energy: 1.055576264060498
Energy: 1.0368812285680926
Energy: 1.074167272622486
Energy: 1.0368812285665732
Energy: 1.1274953325312846
Energy: 1.0283764457764426
Energy: 1.0706448969019882
Energy: 1.0283764457749576
Energy: 1.0927407736644257
Energy: 1.0065392703119547
Energy: 1.068676576583276
Energy: 1.0065392703119547
Energy: 1.0944015288944715
Energy: 1.0067157890339602
Energy: 1.0694852780749142
Energy: 1.0067157890324405
Energy: 1.068512539079621
Energy: 1.052924746561127
Energy: 1.1665283972094787
Energy: 1.052924746561127
Energy: 1.0919926757400018
Energy: 0.9967601403758283
Energy: 1.0931948312442004
Energy: 0.9967601403788673
Energy: 1.126616551904332
Energy: 0.9972886469784403
Energy: 1.0922750414319529
Energy: 0.9972886469769207
Energy: 1.1655258707675713
Energy: 1.0088276602419626
Energy: 1.0669415417759913
Energy: 1.0088276602404431
Energy: 1.069434937239167
Energy: 1.0071388721293566
Energy: 1.0945566959273836
Energy: 1.0071388721293566
Energy: 1.0691446494727925
Energy: 1.0071110996964416
Energy: 1.0942542218134221
Energy: 1.007111099694922
Energy: 1.0705946831652033
Energy: 1.0476125063888064
Energy: 1.1251078505304268
Energy: 1.0476125063902915
Energy: 1.0730512959370009
Energy: 1.0372312632871825
Energy: 1.0655697624287241
Energy: 1.0372312632871825
Energy: 1.0702075583516608
Energy: 1.0390466231168
Energy: 1.0555926983605315
Energy: 1.0390466231168
Energy: 1.0705435467483717
Energy: 1.0616567034340993
Energy: 1.0563100721207879
Energy: 1.0616567034340993
Energy: 1.052214164407611
Energy: 1.0600341325140672
Energy: 1.0564094440193241
Energy: 1.0600341325140672
Energy: 1.0711925904267798
Energy: 1.060983668416668
Energy: 1.0561935624142962
Energy: 1.060983668416668
Energy: 1.0566688170968448
Energy: 1.0602404658980766
Energy: 1.0672403810595321
Energy: 1.0602404658995963
Energy: 1.2499359932368677
Energy: 1.0596812035779377
Energy: 1.0454175461295947
Energy: 1.0596812035794572
Energy: 1.0567026673544406
Energy: 1.0629840147317933
Energy: 1.0565686630077775
Energy: 1.0629840147317933
Energy: 1.0418528646192293
Energy: 1.0582444686510593
Energy: 1.0566726430768714
Energy: 1.0582444686495394

minimum gb energy = 0.9967601403758283 eV
minimum distance =  2.30841097545558 Angstroms
sigma value = 41


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

Energy: 1.1266866640360225
Energy: 0.9770204049674123
Energy: 1.1093042302068885
Energy: 1.1088415609522702
Energy: 0.981320237592359
Energy: 0.9972784060639992
Energy: 0.9814128772387227
Energy: 0.9972784060627534
Energy: 0.9811570921061231
Energy: 0.9827550882922308
Energy: 0.9874281758129348
Energy: 0.9827550882922308
Energy: 0.9828849812266076
Energy: 0.9809009241037365
Energy: 0.9782450884657685
Energy: 0.9809009241049824
Energy: 0.9922930812747118
Energy: 0.9695980085200196
Energy: 0.992598290064432
Energy: 0.9695980085212654
Energy: 0.9832374477355772
Energy: 0.9638681149068133
Energy: 0.9926777430589064
Energy: 0.9638681149068133
Energy: 0.9815126818142125
Energy: 0.9625579134637762
Energy: 0.9945232333125296
Energy: 0.9625579134637762
Energy: 1.0108573243333963
Energy: 1.0153585096371673
Energy: 0.995792459194385
Energy: 1.0153585096384132
Energy: 1.010505248626679
Energy: 0.931883635632658
Energy: 1.0003748210076813
Energy: 0.931883635632658
Energy: 1.011782391601106
Energy: 0.9318721942894727
Energy: 0.9999972450993144
Energy: 0.9318721942907187
Energy: 0.9972294288970959
Energy: 0.9154598034198167
Energy: 1.0453032581144064
Energy: 0.9154598034198167
Energy: 0.9991224335544763
Energy: 0.9152764550482813
Energy: 1.0309746470908587
Energy: 0.9152764550482813
Energy: 1.0305054941042056
Energy: 0.9158009852289016
Energy: 1.0321052781391233
Energy: 0.9158009852313934
Energy: 1.0671007294781383
Energy: 0.9089455517914402
Energy: 0.9941138418828863
Energy: 0.9089455517901943
Energy: 0.989853711727026
Energy: 0.9081211837107929
Energy: 1.0182729421461314
Energy: 0.9081211837107929
Energy: 1.019175349613933
Energy: 0.909684365944412
Energy: 1.0585343031519354
Energy: 0.9096843659431662
Energy: 0.991562436046404
Energy: 0.9147396128947898
Energy: 1.067077275565977
Energy: 0.9147396128947898
Energy: 1.0288954223263316
Energy: 0.9146212491016177
Energy: 0.9997054526956097
Energy: 0.9146212491016177
Energy: 1.0449841110116316
Energy: 0.9144276915467509
Energy: 0.9969224331264855
Energy: 0.914427691545505
Energy: 1.0436103816441846
Energy: 0.9323686614777924
Energy: 1.0094668437360927
Energy: 0.9323686614790383
Energy: 0.9938590734215856
Energy: 0.9330473108031655
Energy: 1.011649878506577
Energy: 0.9330473108031655
Energy: 0.9935835487093736
Energy: 0.9328366971629063
Energy: 1.0354345282323298
Energy: 0.9328366971629063
Energy: 0.9933883011503467
Energy: 0.9631454690128659
Energy: 1.034102959390119
Energy: 0.9631454690153575
Energy: 0.992707457631074
Energy: 0.9629541310671821
Energy: 0.9916130691358342
Energy: 0.9629541310659362
Energy: 0.993080383858327
Energy: 0.9651752111208232
Energy: 0.991758930700685
Energy: 0.9651752111208232
Energy: 0.9959275972611058
Energy: 0.9829678294114693
Energy: 0.9827608423019455
Energy: 0.9829678294139608
Energy: 0.9770036056267791
Energy: 0.9811132733850169
Energy: 0.9810970092949948
Energy: 0.9811132733850169
Energy: 0.9924493721978339
Energy: 1.002784743429026
Energy: 0.9813120026560804
Energy: 1.002784743430272
Energy: 0.9839716339565234
Energy: 0.9809525960865019
Energy: 0.9736558196232941
Energy: 0.9809525960852561
Energy: 0.9809238636925489
Energy: 0.9820105149268916
Energy: 0.9878027169274686
Energy: 0.9820105149268916
Energy: 0.9811058126997876
Energy: 0.988361222504535
Energy: 0.9814119192617108
Energy: 0.988361222504535
Energy: 0.9713371067475036
Energy: 0.9810173591804847
Energy: 0.9842989233245864
Energy: 0.981017359179239

minimum gb energy = 0.9081211837107929 eV
minimum distance =  2.31672631945188 Angstroms
sigma value = 15


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

Energy: 1.067779305888081
Energy: 0.9127162147163492
Energy: 1.0253842605111867
Energy: 1.0236582562209202
Energy: 0.9172385797396673
Energy: 0.9302349250464795
Energy: 0.9292283191201763
Energy: 0.9302349250549224
Energy: 0.9164079954151858
Energy: 0.9179247746252506
Energy: 0.9328905550330593
Energy: 0.9179247746231399
Energy: 0.9172676135836134
Energy: 0.9170188842994874
Energy: 0.9151746701003012
Energy: 0.9170188842984321
Energy: 0.9259483878875927
Energy: 0.9069347412325063
Energy: 0.9267023962183055
Energy: 0.9069347412335617
Energy: 0.9409824422228203
Energy: 0.9005619756843986
Energy: 0.933308373244237
Energy: 0.9005619756843986
Energy: 0.9339980486290658
Energy: 0.9013203270986401
Energy: 0.9324553599091319
Energy: 0.9013203270975848
Energy: 0.940551129642855
Energy: 0.9494858310808532
Energy: 0.9298830745479453
Energy: 0.9494858310840192
Energy: 0.9411361478327801
Energy: 0.8721339391473518
Energy: 0.9352515828186573
Energy: 0.8721339391452411
Energy: 0.9336138507525393
Energy: 0.8717842709515427
Energy: 0.93516891495315
Energy: 0.8717842709504874
Energy: 0.932910521070101
Energy: 0.8532423444222252
Energy: 0.9678796421610855
Energy: 0.8532423444232806
Energy: 0.9272126227153169
Energy: 0.8532747749925209
Energy: 0.9554941542445029
Energy: 0.8532747749925209
Energy: 0.987023042265224
Energy: 0.8537051933592363
Energy: 0.9408821012954995
Energy: 0.8537051933581811
Energy: 0.9881772173468062
Energy: 0.8416594553902065
Energy: 0.9291086895516025
Energy: 0.8416594553902065
Energy: 0.9788379159392243
Energy: 0.8431191733222166
Energy: 0.9300484893199066
Energy: 0.8431191733253827
Energy: 0.935544798753802
Energy: 0.8431596488085398
Energy: 0.9866688274855887
Energy: 0.8431596488085398
Energy: 0.9371829207436762
Energy: 0.8398292063432323
Energy: 0.9889119842467202
Energy: 0.8398292063432323
Energy: 0.9300975083181283
Energy: 0.8382330592749092
Energy: 0.9303522352418019
Energy: 0.8382330592749092
Energy: 0.9896100105890152
Energy: 0.8397996517895324
Energy: 0.929777466798933
Energy: 0.8397996517874218
Energy: 0.9868973608377586
Energy: 0.8431864771582589
Energy: 0.957834509316434
Energy: 0.8431864771561483
Energy: 0.9296150527308281
Energy: 0.8431387883483276
Energy: 0.9803120948328782
Energy: 0.8431387883472722
Energy: 0.9289914764833737
Energy: 0.8415377230546262
Energy: 0.9873073665026438
Energy: 0.8415377230577924
Energy: 0.9467545902956312
Energy: 0.8537027512387169
Energy: 0.9871761924588883
Energy: 0.8537027512408277
Energy: 0.9566734797475774
Energy: 0.8531584583188282
Energy: 0.9324321571696893
Energy: 0.8531584583188282
Energy: 0.9684543971403827
Energy: 0.8530572370600398
Energy: 0.9332517668767435
Energy: 0.8530572370632059
Energy: 0.967980794563925
Energy: 0.8718193323456835
Energy: 0.9422941566717369
Energy: 0.8718193323446282
Energy: 0.9318497555303364
Energy: 0.8721978880046647
Energy: 0.9407538917020437
Energy: 0.8721978880067754
Energy: 0.9282619545321785
Energy: 0.8730070622213836
Energy: 0.9424237019620819
Energy: 0.8730070622213836
Energy: 0.9262843249097741
Energy: 0.9018762515845163
Energy: 0.9269215285890022
Energy: 0.9018762515866269
Energy: 0.9321957460427925
Energy: 0.9012216212658642
Energy: 0.9263892846316694
Energy: 0.9012216212669195
Energy: 0.9267603974337328
Energy: 0.9069605117131952
Energy: 0.9276519272763394
Energy: 0.9069605117142506
Energy: 0.9423460904020273
Energy: 0.9167303191427244
Energy: 0.9171840457475283
Energy: 0.9167303191416691
Energy: 0.9291367491854835
Energy: 0.9178838275156275
Energy: 0.9168368184801606
Energy: 0.9178838275145722
Energy: 0.9267326551709226
Energy: 0.9020341973365461
Energy: 0.9169674707257978
Energy: 0.9020341973365461
Energy: 1.0236140766012682
Energy: 1.0231223105164768
Energy: 0.9304698058571456
Energy: 1.0231223105164768
Energy: 0.9163250239390712
Energy: 0.9189777626044073
Energy: 0.9254958930859962
Energy: 0.9189777626044073
Energy: 0.9211583962504509
Energy: 0.9184018164178364
Energy: 0.9169440952741416
Energy: 0.9184018164146703

minimum gb energy = 0.8382330592749092 eV
minimum distance =  2.31436495868559 Angstroms
sigma value = 85


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

Energy: 0.9943109661995426
Energy: 0.7906497170425997
Energy: 0.9104818955204015
Energy: 0.9098768640828228
Energy: 0.80447903893086
Energy: 0.7978040156549352
Energy: 0.8254037051473684
Energy: 0.7978040156558506
Energy: 0.8103901647051587
Energy: 0.8090446886854188
Energy: 0.8178712525977413
Energy: 0.8090446886854188
Energy: 0.8106102003001946
Energy: 0.8069569819408052
Energy: 0.8255096220224211
Energy: 0.8069569819408052
Energy: 0.825670191752309
Energy: 0.8047514076964437
Energy: 0.8256200789587184
Energy: 0.80475140771475
Energy: 0.8310671597876162
Energy: 0.7967107721360137
Energy: 0.8255823294736773
Energy: 0.7967107721360137
Energy: 0.8311834621905303
Energy: 0.7962600919311793
Energy: 0.8253166974475326
Energy: 0.7962600919311793
Energy: 0.859675369219271
Energy: 0.8670477177606303
Energy: 0.8671198204758135
Energy: 0.8670477177615458
Energy: 0.8464997066992769
Energy: 0.7778300083956107
Energy: 0.8431188196156398
Energy: 0.7778300083956107
Energy: 0.8525696006722688
Energy: 0.7779888110770513
Energy: 0.8655488073339748
Energy: 0.7779888110770513
Energy: 0.8496740160279341
Energy: 0.769547287396548
Energy: 0.8723759126710765
Energy: 0.7695472873956327
Energy: 0.8440690746668728
Energy: 0.7673240000687954
Energy: 0.8642997497502548
Energy: 0.7673240000687954
Energy: 0.892220109991588
Energy: 0.7678565172171993
Energy: 0.8541898340612761
Energy: 0.7678565172181147
Energy: 0.8935249323217651
Energy: 0.7648204323514459
Energy: 0.8519528736858711
Energy: 0.7648204323523612
Energy: 0.8851682388411692
Energy: 0.7627561915240156
Energy: 0.8515831825870304
Energy: 0.7627561915249309
Energy: 0.8599095689901142
Energy: 0.7636414667026395
Energy: 0.8979349905381141
Energy: 0.7636414667026395
Energy: 0.858528846818468
Energy: 0.7625320185020207
Energy: 0.8987599051650547
Energy: 0.7625320185029361
Energy: 0.8596654874305825
Energy: 0.7619099375065501
Energy: 0.9052339044221762
Energy: 0.7619099375056346
Energy: 0.9013537103592072
Energy: 0.7624303216136347
Energy: 0.8651800935569115
Energy: 0.7624303216127195
Energy: 0.901441594626791
Energy: 0.7616139579467095
Energy: 0.8638709475726076
Energy: 0.7616139579467095
Energy: 0.8911119408595541
Energy: 0.7613611802557104
Energy: 0.8910744584302763
Energy: 0.7613611802557104
Energy: 0.8640232385886273
Energy: 0.7625655173290036
Energy: 0.9021613576239281
Energy: 0.7625655173290036
Energy: 0.8878129459413634
Energy: 0.7615913409926288
Energy: 0.9014226121536388
Energy: 0.7615913409917134
Energy: 0.90511071077146
Energy: 0.7611872311129046
Energy: 0.8593066284178102
Energy: 0.7611872311129046
Energy: 0.8992637225606213
Energy: 0.7634822325039865
Energy: 0.8583770349535247
Energy: 0.7634822325039865
Energy: 0.8982924295514466
Energy: 0.7630219851762926
Energy: 0.8744148553757005
Energy: 0.7630219851753772
Energy: 0.8521061388676167
Energy: 0.7628796032938031
Energy: 0.8856625031888802
Energy: 0.7628796032938031
Energy: 0.8517443840180808
Energy: 0.8314694026826152
Energy: 0.8921397245185448
Energy: 0.8314694026826152
Energy: 0.8609240769431097
Energy: 0.7676366753341837
Energy: 0.849962146540162
Energy: 0.7676366753332682
Energy: 0.8653156284238569
Energy: 0.7679113970256127
Energy: 0.8499958220499575
Energy: 0.7679113970246974
Energy: 0.8856636090604676
Energy: 0.8183116095235774
Energy: 0.8507830889298096
Energy: 0.8183116095235774
Energy: 0.8392799611430162
Energy: 0.777515877599333
Energy: 0.8445340221247204
Energy: 0.7775158775984177
Energy: 0.8253045611079549
Energy: 0.7781953177044141
Energy: 0.8444315876342365
Energy: 0.7781953177044141
Energy: 0.8267511428379826
Energy: 0.8054003711456967
Energy: 0.8599558602659283
Energy: 0.8054003711456967
Energy: 0.8261345843605619
Energy: 0.7963350725591138
Energy: 0.8324863162572063
Energy: 0.7963350725581984
Energy: 0.825762649106764
Energy: 0.7974601738917366
Energy: 0.8599448588097366
Energy: 0.7974601738917366
Energy: 0.8317874484084489
Energy: 0.8256064623573237
Energy: 0.8256842515332293
Energy: 0.8256064623573237
Energy: 0.8079483704693421
Energy: 0.8074061511867817
Energy: 0.8114733877853798
Energy: 0.8074061511867817
Energy: 0.8257776136017164
Energy: 0.8096429688298649
Energy: 0.810414712590073
Energy: 0.8096429688298649
Energy: 0.8256158554725692
Energy: 0.7972093198580326
Energy: 0.825377289671644
Energy: 0.7972093198580326
Energy: 0.8102418973919342
Energy: 0.8069808344348204
Energy: 0.8057231380144934
Energy: 0.8069808344339051
Energy: 0.8103851435009433
Energy: 0.8265720158812817
Energy: 0.810555923965342
Energy: 0.826572015882197
Energy: 0.779360169473766
Energy: 0.8084706481808757
Energy: 0.8100287357913238
Energy: 0.8084706481991613

minimum gb energy = 0.7611872311129046 eV
minimum distance =  2.30737312104297 Angstroms
sigma value = 113


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

Energy: 0.01481672568784221
Energy: 0.014960020978490704
Energy: 0.9705592771981169
Energy: 0.10852221844040234
Energy: 0.016025014972801975
Energy: 0.10810433452787928
Energy: 0.09822924560304973
Energy: 0.10810433452721473
Energy: 0.09446191789738052
Energy: 0.10942526701042135
Energy: 0.015814156032313956
Energy: 0.10942526701042135
Energy: 0.09461934567282415
Energy: 0.1094539978812504
Energy: 0.01658845127765361
Energy: 0.1094539978812504
Energy: 0.09602900018782692
Energy: 0.10822309536517044
Energy: 0.09525737729861328
Energy: 0.1082230953644668
Energy: 0.015349042877517408
Energy: 0.10924908430057335
Energy: 0.09470041390071031
Energy: 0.10924908429986971

minimum gb energy = 0.01481672568784221 eV
minimum distance =  2.45968744493538 Angstroms
sigma value = 1