Model name: model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499994456768045
cohesive_energy=3.299025747576126
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6866754296771598e-19, 2.33291337500106e-19, 2.8077504640196397e-19, 3.18563984491488e-19, 3.4980002014795194e-19, 3.7620068672300395e-19, 3.9883463603152194e-19, 4.1841804102890393e-19, 4.3546359823803e-19, 4.503494213445239e-19, 4.633687086724079e-19, 4.747521736569779e-19, 4.84680862257876e-19, 4.933101856086e-19, 5.00765113486602e-19, 5.071513895497259e-19, 5.125603378661099e-19, 5.1707046509082e-19, 5.207474604658499e-19, 5.236538088799259e-19, 5.25840779985336e-19, 5.27353234727832e-19, 5.28234431876532e-19, 5.28521221494018e-19, 5.28215205756924e-19, 5.2722826495038e-19, 5.25443440180104e-19, 5.227261486088399e-19, 5.18908161690018e-19, 5.13798820404192e-19, 5.07162604786164e-19, 4.987143273950819e-19, 4.88115928961172e-19, 4.74946037029692e-19, 4.586919550777619e-19, 4.387192211583179e-19, 4.14233155660896e-19, 3.84232398189246e-19, 3.4744482049597195e-19, 3.0223460023776e-19, 2.4647084249139e-19, 1.7733692073428996e-19, 9.10593885580632e-20, -1.75111497389664e-20, -1.555503626474946e-19, -3.3327997687477794e-19, -5.656772998131119e-19, -8.753828496952138e-19, -1.297977765208956e-18, -1.8920744741559598e-18, -2.76002162209278e-18, -4.09469884528014e-18, -6.29969443782264e-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: -0.061233718112 eV

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

Energy: 0.012414781291786013
Energy: 0.3000727733312444
Energy: 0.5022043452561765
Energy: 0.44082058296497995
Energy: 0.440022097428406
Energy: 0.1703331382471952
Energy: 0.013682239282646039
Energy: 0.06831831409367163
Energy: 0.4445911328431738
Energy: 0.2517525438395095
Energy: 0.29916101956280755
Energy: 0.2990628940671523
Energy: 0.013071698869684427
Energy: 0.0708087223943955
Energy: 0.01278782659386926
Energy: 0.35473657047621976
Energy: 0.5096296320721906
Energy: 0.29922061701738667
Energy: 0.3552099188459815
Energy: 0.0681633893926445
Energy: 0.06992950644586944
Energy: 0.014069135635156204
Energy: 0.3840788142058243
Energy: 0.29915762008573377
Energy: 0.44119511041821
Energy: 0.44112804906805686
Energy: 0.06817113557664953
Energy: 0.013079320457256675
Energy: 0.17047487663065708
Energy: 0.4421243166695494
Energy: 0.2530350656587747
Energy: 0.301376996888591
Energy: 0.2991077322775386
Energy: 0.01297872965973937
Energy: 0.06813535302949669
Energy: 0.01262623963109131
Energy: 0.35762203826236094
Energy: 0.5092122478438151
Energy: 0.29920092043938523
Energy: 0.3543929809783667
Energy: 0.06817654331486978
Energy: 0.06965306662479916

minimum gb energy = 0.012414781291786013 eV
minimum distance =  2.83740975009069 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.5939604284813633
Energy: 0.7077028900777697
Energy: 0.6049517769984777
Energy: 0.6630505140245168
Energy: 0.62449017217842
Energy: 0.6491061438035665
Energy: 0.6858433764085656
Energy: 0.521312981834064
Energy: 0.6570778307573466
Energy: 0.5228410528722182
Energy: 0.5896832513760389
Energy: 0.6075115796980857
Energy: 0.5884552487412412
Energy: 0.6553415451184117
Energy: 0.6344186596905048
Energy: 0.677770505511873
Energy: 0.599647946968827
Energy: 0.5976627887058003
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Energy: 0.6448135613315398
Energy: 0.6772635635682916
Energy: 0.5076679826250253
Energy: 0.6432405579424113
Energy: 0.5233902514323558
Energy: 0.5615673868556034
Energy: 0.6136626873633004
Energy: 0.5339449856949484
Energy: 0.6500697219877176
Energy: 0.6091741685014579
Energy: 0.6357598377230744
Energy: 0.5870246674789719
Energy: 0.616657359557656
Energy: 0.5754313551089778
Energy: 0.6019680923897393
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Energy: 0.557317814439584
Energy: 0.651698936875437
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Energy: 0.5780969699809513
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Energy: 0.6598422455440824
Energy: 0.5430331409502593
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Energy: 0.5923486421754437
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Energy: 0.6549316707599457
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Energy: 0.5428505386960043
Energy: 0.6715956171821366
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Energy: 0.5353638052607905
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Energy: 0.5462046176928708
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Energy: 0.6591114480116207
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Energy: 0.651156521662715
Energy: 0.5525082602384789
Energy: 0.5922368068688872
Energy: 0.558783662156866
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Energy: 0.653733764408366
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Energy: 0.6282406414850557
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Energy: 0.6146085070072825
Energy: 0.6666838555502026
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Energy: 0.5927105012365972
Energy: 0.5673268869947468
Energy: 0.5604886400518619
Energy: 0.5544391255477309
Energy: 0.5752823212902708
Energy: 0.6566068379299004
Energy: 0.5980280349452608
Energy: 0.6907333105336041
Energy: 0.611825745190602
Energy: 0.610181268378126
Energy: 0.5732558888923214
Energy: 0.5898369700525156
Energy: 0.6495915368352362
Energy: 0.5232750176787831
Energy: 0.6428183494111988
Energy: 0.5966608365032536
Energy: 0.5974675234020034
Energy: 0.5894433804452829
Energy: 0.5870646853673628
Energy: 0.6455339098502115
Energy: 0.6119579482747404
Energy: 0.6351489448236389
Energy: 0.5786713262180727
Energy: 0.7044426965544832
Energy: 0.6613084388726067
Energy: 0.5969813859598778
Energy: 0.6189855560232002
Energy: 0.539396653428842
Energy: 0.6391890048439913
Energy: 0.5773417094279548
Energy: 0.5735516635428801
Energy: 0.5892190056796238
Energy: 0.5433605841789895
Energy: 0.635010642013553
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Energy: 0.6020441865227408
Energy: 0.641515421615979
Energy: 0.6678697335187643
Energy: 0.593292483056362
Energy: 0.5849157985262683

minimum gb energy = 0.5076679826250253 eV
minimum distance =  2.52345534069423 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.5624528205780602
Energy: 0.6596226753372675
Energy: 0.5813707936271726
Energy: 0.5765930728539053
Energy: 0.687398227954275
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Energy: 0.6084006015657839
Energy: 0.575284727541168
Energy: 0.6050993798432588
Energy: 0.5257771314990294
Energy: 0.5879781410394912
Energy: 0.5349967366817623
Energy: 0.5482470726863884
Energy: 0.6078687279750302
Energy: 0.6346018066366408
Energy: 0.6063628419193454
Energy: 0.6039622068162211
Energy: 0.5908158891153131
Energy: 0.5361597217478453
Energy: 0.6090625877759549
Energy: 0.6467594253924633
Energy: 0.5586760342724025
Energy: 0.5716926673206406
Energy: 0.5485137490323775
Energy: 0.5506685726683264
Energy: 0.5947432595461156
Energy: 0.5756711288298612
Energy: 0.6142663755455346
Energy: 0.5441197440628777
Energy: 0.5670301647528131
Energy: 0.5583514227119735
Energy: 0.6140092809578581
Energy: 0.6271984078095826
Energy: 0.5299557822137194
Energy: 0.5496725102833598
Energy: 0.5392200313865579
Energy: 0.5297104010450402
Energy: 0.555410058314202
Energy: 0.598942879840422
Energy: 0.5947332316465784
Energy: 0.5528556280057294
Energy: 0.5488230670275333
Energy: 0.5323505857414216
Energy: 0.5597329902753869
Energy: 0.6056482238374625
Energy: 0.552595600843288
Energy: 0.6083705493985258
Energy: 0.5811529756760566
Energy: 0.5576501702058555
Energy: 0.5447645805823872
Energy: 0.5553861317599118
Energy: 0.5340909103388035
Energy: 0.5588987013337485
Energy: 0.5635584227320193
Energy: 0.5532612933623421
Energy: 0.6102317075927911
Energy: 0.6072302348957535
Energy: 0.6255051567971626
Energy: 0.5622560504478771
Energy: 0.6070998147597224
Energy: 0.5536548216376768
Energy: 0.5631083022804796
Energy: 0.6434319911447948
Energy: 0.551581571486024
Energy: 0.6406293200620533
Energy: 0.5521709968098879
Energy: 0.5608377653423099
Energy: 0.5669604269435128
Energy: 0.5964908641389508
Energy: 0.6334145636982796
Energy: 0.6130001139996766
Energy: 0.6454445607304921
Energy: 0.5486540778550171
Energy: 0.5565505572566001
Energy: 0.5517964309658902
Energy: 0.6304516124577627
Energy: 0.5810952731977086
Energy: 0.5550187689402495
Energy: 0.6231335005631995
Energy: 0.5152417763633745
Energy: 0.5636456235793873
Energy: 0.5366561720594565
Energy: 0.5345501014857224
Energy: 0.631055076451193
Energy: 0.6303084540993913
Energy: 0.592276146581309
Energy: 0.5653364655110231
Energy: 0.5874122678449957
Energy: 0.5352811377336701
Energy: 0.5466352104930158
Energy: 0.6546293509191378
Energy: 0.5364678026634205
Energy: 0.5742235700845131
Energy: 0.5299198819936639
Energy: 0.5783888510160404
Energy: 0.6368196406139232
Energy: 0.565377243076986
Energy: 0.6012180243753331
Energy: 0.5608097591480793
Energy: 0.5469826019466287
Energy: 0.5584780069617143
Energy: 0.5773118118098806
Energy: 0.6502791877578794
Energy: 0.5962974071197417
Energy: 0.5803577107518152
Energy: 0.5429434114673052
Energy: 0.5762130595963311
Energy: 0.5373951773091215
Energy: 0.5681607973504502
Energy: 0.6410950366436919
Energy: 0.5595634164899062
Energy: 0.5588788889531086

minimum gb energy = 0.5152417763633745 eV
minimum distance =  2.53970709083892 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.577652884678933
Energy: 0.6075084690894751
Energy: 0.5812057348134898
Energy: 0.6015849736923371
Energy: 0.5960772580913731
Energy: 0.5634052562856214
Energy: 0.6239141524068011
Energy: 0.5564673239154782
Energy: 0.5736262110168684
Energy: 0.5322416664461267
Energy: 0.5881155975479807
Energy: 0.5528311075731057
Energy: 0.5505626216098639
Energy: 0.5911813227237704
Energy: 0.5766436448817225
Energy: 0.6169162699555154
Energy: 0.5523277740739514
Energy: 0.6082151220601014
Energy: 0.6127292852133328
Energy: 0.5604089879765015
Energy: 0.6010699231949386
Energy: 0.5446808828757339
Energy: 0.6325476407479275
Energy: 0.5498686657789076
Energy: 0.6085888122890076
Energy: 0.5925361892154096
Energy: 0.5461418317695635
Energy: 0.6138112735287001
Energy: 0.5617192825369004
Energy: 0.5965184701937376
Energy: 0.5786376529818485
Energy: 0.5736036120759463
Energy: 0.5700944891109917
Energy: 0.5511124349673855
Energy: 0.60003617317818
Energy: 0.5351110488535383
Energy: 0.6108068628242215
Energy: 0.5536346256614716
Energy: 0.5607072202018458
Energy: 0.5708092447892227
Energy: 0.5367174413747129
Energy: 0.5956635830782756
Energy: 0.5779616532035681
Energy: 0.6004581017942896
Energy: 0.5707215459868806
Energy: 0.6063360619611763
Energy: 0.6080013236213132
Energy: 0.5695493925915998
Energy: 0.6187783915568205
Energy: 0.5534855332007509
Energy: 0.5667507013082375
Energy: 0.5560399017996903
Energy: 0.5812005638755638
Energy: 0.5603435846550436
Energy: 0.5587751275477923
Energy: 0.6293013819372542
Energy: 0.5713200889041864
Energy: 0.60974067251524
Energy: 0.6109523346674027
Energy: 0.6156633135861699
Energy: 0.6300399390066869
Energy: 0.5719376007862403
Energy: 0.6190597684697245
Energy: 0.5468110187584251
Energy: 0.6412615448313955
Energy: 0.5589083462728222
Energy: 0.6035860707358958
Energy: 0.5835496460537699
Energy: 0.5354740502632851
Energy: 0.5957960124845448
Energy: 0.5643608673756698
Energy: 0.5645530676072879
Energy: 0.5629274477833301
Energy: 0.6278850183810223
Energy: 0.5839811007716961
Energy: 0.5549987850863448
Energy: 0.591887763654759
Energy: 0.5349355625186751
Energy: 0.6210643042986217
Energy: 0.5484659254704757
Energy: 0.5464918001448653
Energy: 0.5790616194654988
Energy: 0.5355654957880506
Energy: 0.5910552025540755
Energy: 0.5805804124509032
Energy: 0.5707306618553823
Energy: 0.5780095782930773
Energy: 0.59797828410926
Energy: 0.5939435387369864
Energy: 0.5803136809765647
Energy: 0.608328673897253
Energy: 0.5645909579893704
Energy: 0.574423348366895
Energy: 0.5507116085342304
Energy: 0.569952801013756
Energy: 0.568711184832291
Energy: 0.5842832633517905
Energy: 0.6548217854249502
Energy: 0.5559240236908388
Energy: 0.6136238542610865
Energy: 0.5708505096068585
Energy: 0.6243643468536413
Energy: 0.6323229087524496
Energy: 0.5806483645568038
Energy: 0.6187749855922333
Energy: 0.5297612551867337
Energy: 0.6157201713031819
Energy: 0.5620525871900847
Energy: 0.5986007143307286
Energy: 0.5868771883288831
Energy: 0.5552989521332151
Energy: 0.5680545609427237
Energy: 0.5678718413063137
Energy: 0.5640655948421667
Energy: 0.5659181904611454
Energy: 0.6291178156414267
Energy: 0.5629523386695622
Energy: 0.5479364113878522
Energy: 0.6104424483519388
Energy: 0.5425863331043461
Energy: 0.6364641668094903
Energy: 0.5505948160090265
Energy: 0.5627148226422407
Energy: 0.5632878542080078
Energy: 0.5383873046321943
Energy: 0.6046200872656269
Energy: 0.5713139019512674
Energy: 0.5979107640430419
Energy: 0.5818859331906968
Energy: 0.6046037199522559
Energy: 0.5909766229488086
Energy: 0.597238200757595
Energy: 0.6200375866846448
Energy: 0.5866753713555698
Energy: 0.5545434906762787
Energy: 0.5673780695633805
Energy: 0.5851492743913671
Energy: 0.5548567894052252
Energy: 0.557993790812791
Energy: 0.6411048384388137
Energy: 0.5548178558656229
Energy: 0.639592645514719
Energy: 0.5656727649867961
Energy: 0.6123758344771844
Energy: 0.6001023109611988
Energy: 0.5812368293105636
Energy: 0.6202745441321523
Energy: 0.5418946630583751
Energy: 0.6247738733774776
Energy: 0.5522091717375694
Energy: 0.5562258865191813
Energy: 0.5814518202638855
Energy: 0.5469344466608929
Energy: 0.5742902128576074
Energy: 0.5479915984135856
Energy: 0.5840625269719667
Energy: 0.5492989738609512
Energy: 0.5933709657192865
Energy: 0.5676941196443518
Energy: 0.5638357158169728
Energy: 0.5706400024299717
Energy: 0.5614837520576926
Energy: 0.6188553787734865
Energy: 0.5736523501369803
Energy: 0.577748802937191
Energy: 0.5852701004360424
Energy: 0.5434227472566404
Energy: 0.5855391260611694
Energy: 0.5853210609047524
Energy: 0.6101609570685704
Energy: 0.5784478829086911
Energy: 0.610850012039311
Energy: 0.590377098716776
Energy: 0.601525799878207
Energy: 0.6258487322274313
Energy: 0.5586429130173406
Energy: 0.5884606612040598
Energy: 0.5587117751663709
Energy: 0.5917303901954206
Energy: 0.558417664427796
Energy: 0.5626589245463129
Energy: 0.6416439123719369
Energy: 0.5545986259001255
Energy: 0.6029456289282178
Energy: 0.552406064880305
Energy: 0.6266310363336751
Energy: 0.6219090709659918
Energy: 0.5438578061703331
Energy: 0.6263984626270809
Energy: 0.5655394633708992
Energy: 0.6411519047267951
Energy: 0.5834325942063824
Energy: 0.5823946937112737
Energy: 0.5823787091455951
Energy: 0.5355053198016072
Energy: 0.5947965112526682
Energy: 0.5521488119783292
Energy: 0.5859359607689218
Energy: 0.5475874278529012
Energy: 0.6283751801331162
Energy: 0.572741424395616
Energy: 0.5887798056375825
Energy: 0.6195190618118802
Energy: 0.5615576184522895
Energy: 0.5966308713310408
Energy: 0.5777804310732266
Energy: 0.5595463813234237
Energy: 0.5897301144430199
Energy: 0.5614435947107597
Energy: 0.5970594967736433
Energy: 0.5836371572189073
Energy: 0.5963662957700212
Energy: 0.5886340880131946
Energy: 0.5997748048867475
Energy: 0.5921233243364671
Energy: 0.5637842179453205
Energy: 0.6467375455979922
Energy: 0.563805936454912
Energy: 0.5830179065952709
Energy: 0.5624014620061102
Energy: 0.5695211081050735
Energy: 0.5949135760576924
Energy: 0.5792587607407329
Energy: 0.6485812940497444
Energy: 0.5482704222213246
Energy: 0.5649489578369916
Energy: 0.5578843095576451
Energy: 0.6054055223574873
Energy: 0.625466158598432
Energy: 0.5692149013751778
Energy: 0.6174634264460463
Energy: 0.5537681120441872
Energy: 0.5984582898108934
Energy: 0.5742666936019872
Energy: 0.6002363052988305
Energy: 0.6082200611965441
Energy: 0.5636404669911407
Energy: 0.5854879524683324
Energy: 0.5498126357675605
Energy: 0.583972295884776
Energy: 0.5524022329547202
Energy: 0.6370291950758997
Energy: 0.5496538969324237
Energy: 0.5355374090474821
Energy: 0.6014308067977225
Energy: 0.5616784526067851
Energy: 0.6275010785520156
Energy: 0.5800159641639859
Energy: 0.6065673106786367
Energy: 0.5714201287203562
Energy: 0.561147181054944
Energy: 0.6047158639141833

minimum gb energy = 0.5297612551867337 eV
minimum distance =  2.43204407704822 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5247559850362502
Energy: 0.6199167720116001
Energy: 0.6746078855768439
Energy: 0.6022262927747875
Energy: 0.5838160575977772
Energy: 0.5594436925972429
Energy: 0.5137497383219788
Energy: 0.5334851653979614
Energy: 0.5592663893683245
Energy: 0.5509858864197826
Energy: 0.5572869035257908
Energy: 0.5562455827183972
Energy: 0.5268219258582654
Energy: 0.6192091340498035
Energy: 0.5357221964482897
Energy: 0.5270364115145938
Energy: 0.5539931693370226
Energy: 0.5617729535487394
Energy: 0.5529666884047706
Energy: 0.5479728183948548
Energy: 0.5697089506600448
Energy: 0.5402212068249881
Energy: 0.5277578967914254
Energy: 0.5593078749984068
Energy: 0.5479127573545404
Energy: 0.5554527399119733
Energy: 0.549864550209268
Energy: 0.6151743020723092
Energy: 0.5543928539469012
Energy: 0.5384385518795883
Energy: 0.5553044904701901
Energy: 0.5496824949319806
Energy: 0.6223265632646142
Energy: 0.5620589645608374
Energy: 0.5248390145472926
Energy: 0.5219505238255597
Energy: 0.538172527126689
Energy: 0.5370453392824125
Energy: 0.591659451121646
Energy: 0.5597306625136227
Energy: 0.5253750869246296
Energy: 0.5255035481834417
Energy: 0.5351605039225513
Energy: 0.5598689924265738
Energy: 0.5354273644243442
Energy: 0.537753896918237
Energy: 0.5142113585293163
Energy: 0.5142605882614307
Energy: 0.5535908055873029
Energy: 0.5243198803856938
Energy: 0.5596413514798314
Energy: 0.6347136051794865
Energy: 0.5326556659722091
Energy: 0.5771670815005522
Energy: 0.5505133634589889
Energy: 0.5253420763916173
Energy: 0.5247070252322356
Energy: 0.5592190802926974
Energy: 0.6516069135599561
Energy: 0.5361146121026175
Energy: 0.5763064903186219
Energy: 0.549942746448603
Energy: 0.5253597278347225
Energy: 0.6398256188465272
Energy: 0.5545079823892446
Energy: 0.5495260839586318
Energy: 0.5571347055119558
Energy: 0.5552265573645753
Energy: 0.5256932171339297
Energy: 0.5249079184193047
Energy: 0.543521121884178
Energy: 0.5330980150436466
Energy: 0.5610777299085874
Energy: 0.5496015968101942
Energy: 0.5526430561119053
Energy: 0.5384260992428418
Energy: 0.5585697437492664
Energy: 0.55238926089325
Energy: 0.5399789232311778
Energy: 0.5504358800653539
Energy: 0.5486130436095785
Energy: 0.5560849122216246
Energy: 0.5502239310700082
Energy: 0.5576912297087007
Energy: 0.5155071158864115
Energy: 0.5402696117356808
Energy: 0.5467268840918351
Energy: 0.5501719163391876
Energy: 0.5575535166292417
Energy: 0.5508284590588242
Energy: 0.5251530535518092
Energy: 0.5621842808803924
Energy: 0.5272492087495749
Energy: 0.5653618048501163
Energy: 0.5514547958448022
Energy: 0.5137770392241429
Energy: 0.5157114291724271
Energy: 0.5265731651235447
Energy: 0.5225216270143546
Energy: 0.5638281640625186
Energy: 0.5373772077919037
Energy: 0.6346381350321847
Energy: 0.513819114218798
Energy: 0.5140290884177656
Energy: 0.5267582298717186
Energy: 0.5247051227309808
Energy: 0.5471321436281088
Energy: 0.5374062838306941
Energy: 0.5466001985216742
Energy: 0.5841780435798887
Energy: 0.5502758133598553
Energy: 0.5135930732018645
Energy: 0.5338187912528305
Energy: 0.5593400984824641
Energy: 0.5505471922053705
Energy: 0.5570916672222838
Energy: 0.5564244719664303
Energy: 0.5267294458911611
Energy: 0.6194449984601942
Energy: 0.5260462672703694
Energy: 0.5275436707756187
Energy: 0.553971556102059
Energy: 0.5613980144148336
Energy: 0.5528597273352495
Energy: 0.5479370753185432
Energy: 0.5698133836814094
Energy: 0.5399042666433833
Energy: 0.549965400645427
Energy: 0.5595611852530873
Energy: 0.547836571499941
Energy: 0.5549742866580057
Energy: 0.5501371765964441
Energy: 0.6153172349829076
Energy: 0.5359994496822401
Energy: 0.5387835289594142
Energy: 0.5558221218067564
Energy: 0.549401266787325
Energy: 0.552590311901716
Energy: 0.561986503183596
Energy: 0.5252595201110082
Energy: 0.521875506749439
Energy: 0.5385778637729152
Energy: 0.5370129822620369
Energy: 0.6399132954034871
Energy: 0.5603837156060644
Energy: 0.5139631447459994
Energy: 0.5255119722607189
Energy: 0.5327477388847468
Energy: 0.5599903255168415
Energy: 0.5367456761036309
Energy: 0.5378866925820385
Energy: 0.514116276999015
Energy: 0.5147470488982725
Energy: 0.553609798816344
Energy: 0.5239385367038095
Energy: 0.5598326982894477
Energy: 0.6346922060851226
Energy: 0.5324779984223543
Energy: 0.5776978804335919
Energy: 0.5504189723225944
Energy: 0.5253114698802586
Energy: 0.5244188433628264
Energy: 0.5592141081078449
Energy: 0.6515351548544424
Energy: 0.536138949118259
Energy: 0.576173055821388
Energy: 0.5497826601404004
Energy: 0.5253219394668841
Energy: 0.6394114966893191
Energy: 0.554147327400211
Energy: 0.5497542038547537
Energy: 0.5566314999285881
Energy: 0.5549851643269961
Energy: 0.525656470074458
Energy: 0.5252221480913066
Energy: 0.5435075759305419
Energy: 0.5322209774010775
Energy: 0.560928971100581
Energy: 0.549999347672806
Energy: 0.5526073322485081
Energy: 0.549322743374569
Energy: 0.558409059464247
Energy: 0.555692580374953
Energy: 0.5395972814946286
Energy: 0.5507633979472581
Energy: 0.5509146694335691
Energy: 0.5574510231185724
Energy: 0.5500159067479984
Energy: 0.5373428376385949
Energy: 0.5159241811271235
Energy: 0.5399689050491039
Energy: 0.5525641570386077
Energy: 0.5499545186383064
Energy: 0.5576760187271186
Energy: 0.5508180891582424
Energy: 0.5252571866246337
Energy: 0.5624874925746043
Energy: 0.5274595149375123
Energy: 0.5471612599072336
Energy: 0.5513857413133212
Energy: 0.5138250683407427
Energy: 0.5155611761770604
Energy: 0.556346616440647
Energy: 0.5225877317220302
Energy: 0.5634915993458599
Energy: 0.5372858867249551
Energy: 0.6278439387586119
Energy: 0.5137969921040768
Energy: 0.5142293788129833
Energy: 0.5251713819760728

minimum gb energy = 0.5135930732018645 eV
minimum distance =  2.51248018319724 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6736544015928441
Energy: 0.6935653841037708
Energy: 0.5679368133123247
Energy: 0.7049609234054269
Energy: 0.5483829168469116
Energy: 0.6167868887038135
Energy: 0.6592826864773167
Energy: 0.5474600252227938
Energy: 0.5699017073908252
Energy: 0.6124642668671996
Energy: 0.6413869388417672
Energy: 0.6249112774884256
Energy: 0.5958785893576803
Energy: 0.5971001748151785
Energy: 0.5181597298548173
Energy: 0.5988346830648983
Energy: 0.5174912856553613
Energy: 0.5657756977840185
Energy: 0.5739048256717463
Energy: 0.5518788112392766
Energy: 0.6045936838951934
Energy: 0.4876491018152427
Energy: 0.6418951552302076
Energy: 0.559366389909771
Energy: 0.5902480970651173
Energy: 0.6043639554198866
Energy: 0.550712050968809
Energy: 0.6030040518645585
Energy: 0.5204403013324104
Energy: 0.561684776678707
Energy: 0.5468241827306985
Energy: 0.5361254239497886
Energy: 0.5818847371327316
Energy: 0.5520176641842618
Energy: 0.5512520876720984
Energy: 0.5054900618770971
Energy: 0.5455523967088738
Energy: 0.5071388128933448
Energy: 0.5494527185616789
Energy: 0.5664477236013097
Energy: 0.5254748666681193
Energy: 0.5167655685372143
Energy: 0.5088145071131981
Energy: 0.5829962128853415
Energy: 0.5117783656185245
Energy: 0.583952661731816
Energy: 0.5283967123529912
Energy: 0.5285556687216943
Energy: 0.5697614844213338
Energy: 0.5534950885401847
Energy: 0.5646555714685082
Energy: 0.5186420800623001
Energy: 0.560032564253738
Energy: 0.5227410314484384
Energy: 0.5153287541407623
Energy: 0.5581076272473219
Energy: 0.5139040644420032
Energy: 0.5879585111803295
Energy: 0.5302455371096311
Energy: 0.6745428208454262
Energy: 0.6324132012646106
Energy: 0.6410715738850356
Energy: 0.6074641043261796
Energy: 0.48952264014859037
Energy: 0.6121761657062124
Energy: 0.5470302135701776
Energy: 0.6317710800755495
Energy: 0.5537578165457568
Energy: 0.6237251355867179
Energy: 0.513143868027194
Energy: 0.5282171766677989
Energy: 0.5879137688833607
Energy: 0.511062846820365
Energy: 0.5425557681424256
Energy: 0.5197426964739615
Energy: 0.5160337554578994
Energy: 0.6655237313867619
Energy: 0.51985120349766
Energy: 0.5971418148812542
Energy: 0.587926576788758
Energy: 0.5411805557626318
Energy: 0.5190710691286152
Energy: 0.5262692069989794
Energy: 0.6476187711973124
Energy: 0.4837640610394484
Energy: 0.5594672945676548
Energy: 0.5613987440142104
Energy: 0.630224966543262
Energy: 0.5612642888793528
Energy: 0.5643211406366588
Energy: 0.5584559244514326
Energy: 0.48254855733974333
Energy: 0.5483291761823315
Energy: 0.5554456182729954
Energy: 0.5705791311377667
Energy: 0.6361589168280961
Energy: 0.5610538627744862
Energy: 0.6133290560789004
Energy: 0.5835291528548856
Energy: 0.5538051543607175
Energy: 0.5809932898451633
Energy: 0.5246439292424527
Energy: 0.5714857138412144
Energy: 0.5214996610334127
Energy: 0.6546708401589464
Energy: 0.5234714595365082
Energy: 0.5999735746975768
Energy: 0.5034132874634245
Energy: 0.5211438696266681
Energy: 0.602219983232832
Energy: 0.6073905752614672
Energy: 0.5833637885583157
Energy: 0.4880308044245362
Energy: 0.5441244911504746
Energy: 0.5420468612648498
Energy: 0.5647301204631535
Energy: 0.5658967881174088
Energy: 0.5161031900565922
Energy: 0.5587594300368474
Energy: 0.5064027252538031
Energy: 0.5523890490806528
Energy: 0.5886923864454768
Energy: 0.6556088043959358
Energy: 0.5583664496390678
Energy: 0.5351520949099459
Energy: 0.5130076043113424
Energy: 0.49538047386608136
Energy: 0.5369077902361341
Energy: 0.5371659002624388
Energy: 0.5564133061738503
Energy: 0.4958044177811161
Energy: 0.5340592967758498
Energy: 0.5679425738145647
Energy: 0.5206581199939655
Energy: 0.5504548837058437
Energy: 0.535836256117514
Energy: 0.5577966561420551
Energy: 0.5631434674790972
Energy: 0.5707736949238074
Energy: 0.5718596473845474
Energy: 0.5149104676804557
Energy: 0.598024908002272
Energy: 0.5236873794212886
Energy: 0.6200461563839371
Energy: 0.5040889168705426
Energy: 0.6260848509638292
Energy: 0.6360940285357874
Energy: 0.48291056619633693
Energy: 0.6278821831994224
Energy: 0.5333509326743288
Energy: 0.5458127505666367
Energy: 0.6278398474039432
Energy: 0.5710777418747358
Energy: 0.5355439315025233
Energy: 0.5869466397804532
Energy: 0.6168175131939588
Energy: 0.6448972527132062
Energy: 0.6595720342404465
Energy: 0.5575495964477791
Energy: 0.6357906766893933
Energy: 0.5929798730954877
Energy: 0.5189316928709684
Energy: 0.5625589178384638
Energy: 0.5975949557238588
Energy: 0.5190412203646623
Energy: 0.6214559672785153
Energy: 0.5935182788388275
Energy: 0.6235058879645777
Energy: 0.5059465162122712
Energy: 0.5136583756252923
Energy: 0.6380149732455302
Energy: 0.5538559880812729
Energy: 0.5066803510998695
Energy: 0.5901212901624455
Energy: 0.6184746055403978

minimum gb energy = 0.48254855733974333 eV
minimum distance =  2.51388009773005 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.632397418152118
Energy: 0.6792851203958308
Energy: 0.6583938773085461
Energy: 0.6712447510913819
Energy: 0.6420950473518643
Energy: 0.6543499282766021
Energy: 0.6896667742409839
Energy: 0.6414374950302807
Energy: 0.6651867875886952
Energy: 0.6630281460107715
Energy: 0.642886784400158
Energy: 0.625293647321295
Energy: 0.6659431176524535
Energy: 0.7314191476518691
Energy: 0.6354960632305866
Energy: 0.7107973786103129
Energy: 0.6313268424561034
Energy: 0.6707604804642742
Energy: 0.6686735802215991
Energy: 0.6253424022860207
Energy: 0.682478766655753
Energy: 0.6250015527905222
Energy: 0.5896750019564763
Energy: 0.6174221475859163
Energy: 0.6400277180122986
Energy: 0.6427845101415495
Energy: 0.6104418910043939
Energy: 0.6787609711264684
Energy: 0.6189232371238949
Energy: 0.656170618595099
Energy: 0.6041622841101988
Energy: 0.6378597106114229
Energy: 0.6107469565534341
Energy: 0.6094182735489191
Energy: 0.6549735603933527
Energy: 0.5521493186341454
Energy: 0.6415049983536977
Energy: 0.6146639063370507
Energy: 0.6182193417755417
Energy: 0.5761675785874939
Energy: 0.5804170558317516
Energy: 0.6143326926448517
Energy: 0.630314210664524
Energy: 0.6054951794954577
Energy: 0.5700518497706721
Energy: 0.5976997184479683
Energy: 0.61843512107667
Energy: 0.596439345956959
Energy: 0.636148339758548
Energy: 0.5712795979996487
Energy: 0.6022944931705468
Energy: 0.6280960358974279
Energy: 0.6107900708899673
Energy: 0.6207134095755629
Energy: 0.5924843871745346
Energy: 0.5638295539173094
Energy: 0.5387295898100096
Energy: 0.6362654007522981
Energy: 0.5948809671619585
Energy: 0.6050734089109158
Energy: 0.5881052634399455
Energy: 0.6023285932571302
Energy: 0.5861231604439119
Energy: 0.6316468563174458
Energy: 0.6264204811243466
Energy: 0.5956789572078298
Energy: 0.6305696589465097
Energy: 0.5701634366089291
Energy: 0.5962530350306106
Energy: 0.599483139059682
Energy: 0.5729850003591961
Energy: 0.574642434512439
Energy: 0.587603174628628
Energy: 0.5806311775286659
Energy: 0.6159784286325999
Energy: 0.5922170196339722
Energy: 0.5905161923046617
Energy: 0.633395461473281
Energy: 0.5460511223320945
Energy: 0.6143932579319205
Energy: 0.6075690110837153
Energy: 0.6291304843765325
Energy: 0.6065554591021874
Energy: 0.6119049473953851
Energy: 0.5674367523960248
Energy: 0.5669431342967594
Energy: 0.5846287443208175
Energy: 0.6116268044479671
Energy: 0.5935798526975613
Energy: 0.5870406875240998
Energy: 0.5694315371987443
Energy: 0.59011636549272
Energy: 0.6314438553111468
Energy: 0.6577931310995222
Energy: 0.5550845978224462
Energy: 0.535123871568721
Energy: 0.6093802704852275
Energy: 0.6060150598239878
Energy: 0.5591296444944798
Energy: 0.6466918781533856
Energy: 0.5899810255387455
Energy: 0.6219949151129779
Energy: 0.6046113786237427
Energy: 0.627662565813684
Energy: 0.6077138846429013
Energy: 0.6039467509405696
Energy: 0.558950690393345
Energy: 0.5905936116125143
Energy: 0.6171721013893038
Energy: 0.5969180692978402
Energy: 0.5962620656012829
Energy: 0.656003382022433
Energy: 0.6066636952045791
Energy: 0.6834231857010209
Energy: 0.607461184519402
Energy: 0.6323919329199481
Energy: 0.6108737195956817
Energy: 0.6114721331426322
Energy: 0.656441927820747
Energy: 0.5820651867739893
Energy: 0.6554560506598117
Energy: 0.6172424521037569
Energy: 0.6283961746063094
Energy: 0.6243155520003879
Energy: 0.6256433239047456
Energy: 0.6708811327625085
Energy: 0.5932922850719246
Energy: 0.6652910347268837
Energy: 0.629430345762315
Energy: 0.648507229979384
Energy: 0.6861923853385111
Energy: 0.6767254438921706
Energy: 0.7002585831889212
Energy: 0.6274597203587848
Energy: 0.7101289585210215
Energy: 0.6302366043752659
Energy: 0.6806159253302393
Energy: 0.6420372038544084
Energy: 0.6106861892190023
Energy: 0.6411599457540148
Energy: 0.6360459402301666
Energy: 0.709004392660104
Energy: 0.6458681056398936
Energy: 0.7039863396400976
Energy: 0.6121784505003109
Energy: 0.6071409999445782
Energy: 0.7056634872558464
Energy: 0.6439861967385464
Energy: 0.6596941282430148
Energy: 0.6515426822901808
Energy: 0.6987656179724636
Energy: 0.6120683500514564
Energy: 0.5837640119393668
Energy: 0.6934260485324196
Energy: 0.6143965402250657
Energy: 0.6268314996896731
Energy: 0.6634310500590748
Energy: 0.6813837002558504
Energy: 0.6424392296521751
Energy: 0.6104456328208319
Energy: 0.5184953046942992
Energy: 0.6670222089088643
Energy: 0.6426602276031281
Energy: 0.6409830110413789
Energy: 0.650612666247109
Energy: 0.6281671117963544
Energy: 0.6659766960037566
Energy: 0.728921024328303
Energy: 0.5849385335054982
Energy: 0.7107963964494757
Energy: 0.6302905888851117
Energy: 0.6657399716270078
Energy: 0.6280557385681899
Energy: 0.6249313539076133
Energy: 0.6805228148708093
Energy: 0.6245895372010041
Energy: 0.697276199828918
Energy: 0.6172664964232812
Energy: 0.6407672747713423
Energy: 0.6429007315330696
Energy: 0.6105895188846759
Energy: 0.6781172622112457
Energy: 0.6254858787577343
Energy: 0.6395684511762734
Energy: 0.6050337421820041
Energy: 0.6429038881771011
Energy: 0.5850690114513044
Energy: 0.655697128859156
Energy: 0.6662138638838456
Energy: 0.5519013323686291
Energy: 0.6470302010231886
Energy: 0.6119591132529403
Energy: 0.6408933849187425
Energy: 0.5800075466230299
Energy: 0.5806415618361419
Energy: 0.6137172834534194
Energy: 0.6308676117079133
Energy: 0.598271815816467
Energy: 0.617065784084682
Energy: 0.6012560740921037
Energy: 0.5865807976805605
Energy: 0.5611481688354863
Energy: 0.6371638322583163
Energy: 0.553429532121778
Energy: 0.5993722612564806
Energy: 0.5847909695438442
Energy: 0.62408650242465
Energy: 0.6112965868841036
Energy: 0.5778597680873725
Energy: 0.5644945459031673
Energy: 0.5515307170686874
Energy: 0.6325458666012633
Energy: 0.6046971877746158
Energy: 0.6336295300510952
Energy: 0.5893129484718415
Energy: 0.6282674252620106
Energy: 0.5856520665317527
Energy: 0.6134635673131796
Energy: 0.6196260720791458
Energy: 0.6114882257962839
Energy: 0.6043873412401446
Energy: 0.5684967080306372
Energy: 0.5928068858636533
Energy: 0.5998528578990888
Energy: 0.5716198845971546
Energy: 0.5847423412838306
Energy: 0.571078833719087
Energy: 0.5926283651191688
Energy: 0.6138089648596314
Energy: 0.5958188467386198
Energy: 0.5974870551446276
Energy: 0.6117670344751753
Energy: 0.5481229863215495
Energy: 0.6049976097145005
Energy: 0.6269274868777089
Energy: 0.5990709548115979
Energy: 0.606226066684867
Energy: 0.5813691638592302
Energy: 0.5151395133210962
Energy: 0.5812460758458892
Energy: 0.5847786767106671
Energy: 0.6109623056251424
Energy: 0.5986273861193042
Energy: 0.5952332726006767
Energy: 0.5683996134679941
Energy: 0.6297356601225285
Energy: 0.6267707022946991
Energy: 0.66833847857576
Energy: 0.5751238007548892
Energy: 0.5371388232402766
Energy: 0.6222647823886464
Energy: 0.5819555525766354
Energy: 0.5587609886506252
Energy: 0.6466431112132479
Energy: 0.5897488986725475
Energy: 0.6226581655228781
Energy: 0.5582693526361261
Energy: 0.5979390260221105
Energy: 0.6075051478278766
Energy: 0.6069097713499914
Energy: 0.6243907996758858
Energy: 0.5914491920316316
Energy: 0.5836511571381177
Energy: 0.5997648775081116
Energy: 0.5974492574392799
Energy: 0.6551336152429691
Energy: 0.6058747945495873
Energy: 0.6729532890345872
Energy: 0.6075298019780474
Energy: 0.6420228770524555
Energy: 0.6126190820385689
Energy: 0.5843182286218567
Energy: 0.6659933636301874
Energy: 0.5829150668393773
Energy: 0.6549878612234188
Energy: 0.5945685950511672
Energy: 0.6284568346832393
Energy: 0.6596143429040737
Energy: 0.6267573178803955
Energy: 0.6426493983168333
Energy: 0.6371338480076346
Energy: 0.6670030935732011
Energy: 0.6391163712322557
Energy: 0.6200717090554699
Energy: 0.6875485748636367
Energy: 0.6847735930144238
Energy: 0.6726306646262816
Energy: 0.636222804544356
Energy: 0.6826918885633116
Energy: 0.6326508035383516
Energy: 0.665532624691371
Energy: 0.6420910371953146
Energy: 0.609462100798062
Energy: 0.6409421411740824
Energy: 0.636595424938245
Energy: 0.7070819595035275
Energy: 0.6467896752553381
Energy: 0.6504663927909861
Energy: 0.6146772814283119
Energy: 0.6093807767538482
Energy: 0.7055911552838496
Energy: 0.6413559162573771
Energy: 0.6615653892212866
Energy: 0.65093285517537
Energy: 0.6756984173814887
Energy: 0.6122193944230804
Energy: 0.6070940483748508
Energy: 0.6936217743309102
Energy: 0.6139592326069394
Energy: 0.6271193918378409
Energy: 0.6610827492536113
Energy: 0.6817639428630399
Energy: 0.6430225490337208
Energy: 0.6139513765884739
Energy: 0.5171659537549835

minimum gb energy = 0.5151395133210962 eV
minimum distance =  2.47918894413332 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.578893613560713
Energy: 0.6914759795066296
Energy: 0.5817053103638128
Energy: 0.6027998383368104
Energy: 0.6015281768388221
Energy: 0.5836820722485903
Energy: 0.5998926067797626
Energy: 0.5424046805537988
Energy: 0.6915288659298402
Energy: 0.5449631065019847
Energy: 0.5233292968539759
Energy: 0.5415991228905779
Energy: 0.5412222908524547
Energy: 0.6912486715326694
Energy: 0.5411904350138065
Energy: 0.6915591973065404
Energy: 0.5438872558103862
Energy: 0.541270101982949
Energy: 0.5413842499289051
Energy: 0.5450635044194949
Energy: 0.5221243205776155
Energy: 0.5419527791199564
Energy: 0.7545886574715329
Energy: 0.5441378851916405
Energy: 0.5413299838070994
Energy: 0.5413075898473697
Energy: 0.5415301516183716
Energy: 0.5417791270622705
Energy: 0.5499678715945823
Energy: 0.6913523186002775
Energy: 0.5499197981564962
Energy: 0.6910539494482685
Energy: 0.5224412863615887
Energy: 0.5505937443507375
Energy: 0.691262630992509
Energy: 0.5424864528928826
Energy: 0.7545178814032486
Energy: 0.5414718967708813
Energy: 0.5418564589806076
Energy: 0.5416513258542823
Energy: 0.5415917349791242
Energy: 0.5996873378587392
Energy: 0.5415547816436701
Energy: 0.6915894951476882
Energy: 0.5439923306218988
Energy: 0.5412859714260282
Energy: 0.541326212596248
Energy: 0.545309630173928
Energy: 0.6913579796323465
Energy: 0.5412497421623558
Energy: 0.6915433060329051
Energy: 0.5437399685519756
Energy: 0.5412737064749613
Energy: 0.5411401456732728
Energy: 0.5449375619923695
Energy: 0.6910993749052109
Energy: 0.542717478394542
Energy: 0.7543326782727693
Energy: 0.5417752645985201
Energy: 0.5416350541170184
Energy: 0.5415331027530929
Energy: 0.5418659179660867
Energy: 0.6000603252709072
Energy: 0.5497421272806736
Energy: 0.6911636250167341
Energy: 0.549707892864775
Energy: 0.6910619418117467
Energy: 0.6944350860934032
Energy: 0.5503686059991636
Energy: 0.6911763037534518
Energy: 0.542163586501719
Energy: 0.754131952432786
Energy: 0.5416346556595955
Energy: 0.5413711143681635
Energy: 0.5414649074532447
Energy: 0.5417794102236452
Energy: 0.5416406294666322
Energy: 0.5410177302341046
Energy: 0.6913616980217041
Energy: 0.5438433747828342
Energy: 0.5411404702245878
Energy: 0.5412391667879308
Energy: 0.5448558927469996
Energy: 0.6913297128026352
Energy: 0.5416522424665445
Energy: 0.6913630584176846
Energy: 0.5442557000367384
Energy: 0.541491291260464
Energy: 0.5414343032416438
Energy: 0.5454348506566152
Energy: 0.6913663879974717
Energy: 0.5423122968153772
Energy: 0.6915156624956468
Energy: 0.541534602793228
Energy: 0.6021337679587359
Energy: 0.5419438635647524
Energy: 0.5413434429993643
Energy: 0.5995503062583055
Energy: 0.5502225416285338
Energy: 0.6913819459848212
Energy: 0.5501953404694334
Energy: 0.5229280882192688
Energy: 0.5416493014033067
Energy: 0.5412014276739641
Energy: 0.6912242470467488
Energy: 0.5417057350771627
Energy: 0.691646448230578
Energy: 0.5440304703701276
Energy: 0.5411585094109264
Energy: 0.5413479114450278
Energy: 0.541431692847522
Energy: 0.5415113915138376
Energy: 0.5418106363308283
Energy: 0.6912889982443436
Energy: 0.544029415183115
Energy: 0.5412792282680805
Energy: 0.5412494450063082
Energy: 0.5451983721987913
Energy: 0.5412879386264235
Energy: 0.5504462134145126
Energy: 0.6913019163903683
Energy: 0.5411460351389474
Energy: 0.541693519943642
Energy: 0.5413894061917839
Energy: 0.5415630530007869
Energy: 0.691214305580215
Energy: 0.5412818650001322
Energy: 0.6913327930046538
Energy: 0.5414953250148947
Energy: 0.6027546005273483
Energy: 0.6011508067883496
Energy: 0.5414507444570692
Energy: 0.5995615895456944
Energy: 0.5418571759814244
Energy: 0.6916976949263376
Energy: 0.5445458012442377
Energy: 0.5234454664604639
Energy: 0.5415292631415867
Energy: 0.5453713781647308
Energy: 0.691538882548013

minimum gb energy = 0.5221243205776155 eV
minimum distance =  2.44853259671225 Angstroms
sigma value = 23