Model name: model_name=EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_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=4.045270472764969
cohesive_energy=3.4109252230537166
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=[2.28507238070982e-19, 2.9349312452265596e-19, 3.3659167597725596e-19, 3.7020694393520996e-19, 3.9732378346566e-19, 4.1837478225978597e-19, 4.350662584327979e-19, 4.48877021017878e-19, 4.60669041044118e-19, 4.711584914669159e-19, 4.80904531931538e-19, 4.90291684830144e-19, 4.9946735041306195e-19, 5.08240869660846e-19, 5.163174420728399e-19, 5.23472762920284e-19, 5.29585066778994e-19, 5.3462231011629e-19, 5.38621342994754e-19, 5.4166387642272e-19, 5.43860460587934e-19, 5.45329656561312e-19, 5.46172401470796e-19, 5.46447975851844e-19, 5.461403579381159e-19, 5.45103749655918e-19, 5.43110641923222e-19, 5.398389972365939e-19, 5.348882714375339e-19, 5.27928416139438e-19, 5.19010700994594e-19, 5.088545033116679e-19, 4.98892169001456e-19, 4.89604351054158e-19, 4.71767318587836e-19, 3.93033154439808e-19, 4.478211866160719e-20, -1.2997689986857679e-18, -6.0122479279167e-18, -2.1592694714081397e-17, -7.151940254746259e-17, -2.29734505372626e-16, -7.337408221898099e-16, -2.3716059407121598e-15, -7.8796649036754e-15, -2.73409840415466e-14, -1.008124785998748e-13, -4.0333995672632997e-13, -1.7986195110947399e-12, -9.269056458913859e-12, -5.8071693187646996e-11, -4.77115384192128e-10, -5.82580263301812e-09, -1.322595209190366e-07]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012865905782974953
Energy: 0.2806392915551673
Energy: 0.621150536778251
Energy: 0.4779746597945965
Energy: 0.4796852844909632
Energy: 0.20583898107965728
Energy: 0.013853742919811864
Energy: 0.06540288930278573
Energy: 0.478182493894641
Energy: 0.2438471264197428
Energy: 0.41294370329739216
Energy: 0.3691762782259869
Energy: 0.013642403193040328
Energy: 0.06548815205166121
Energy: 0.013167900850311188
Energy: 0.4776053894394645
Energy: 0.49080587020466643
Energy: 0.41183644230464694
Energy: 0.3676552708215091
Energy: 0.06533987067051528
Energy: 0.06676538973038904
Energy: 0.014578919028021184
Energy: 0.2810214062883203
Energy: 0.41182815624916824
Energy: 0.47797898972680675
Energy: 0.48021709223117454
Energy: 0.0653436393147304
Energy: 0.013781125968662817
Energy: 0.2059477099026351
Energy: 0.4795566665607231
Energy: 0.24383506148919043
Energy: 0.2797768547483139
Energy: 0.2797367499223167
Energy: 0.01364694392532392
Energy: 0.065510092991962
Energy: 0.01326517215301411
Energy: 0.3683023623820854
Energy: 0.41146770816136535
Energy: 0.4123620966635571
Energy: 0.36757448210140714
Energy: 0.06532155951838418
Energy: 0.06645251819621584

minimum gb energy = 0.012865905782974953 eV
minimum distance =  2.83620000123453 Angstroms
sigma value = 5


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

Energy: 0.6278771695268041
Energy: 0.7900943156964552
Energy: 0.6549713549317748
Energy: 0.7092956590835653
Energy: 0.6618005773920341
Energy: 0.6804333399377466
Energy: 0.7301314729310905
Energy: 0.5731153307600674
Energy: 0.6199284059528463
Energy: 0.5711354709961469
Energy: 0.5771241192713398
Energy: 0.5966981362934399
Energy: 0.5638350466669177
Energy: 0.6340601024859537
Energy: 0.6880392750506963
Energy: 0.6845239120292299
Energy: 0.6867606738391885
Energy: 0.7069866679790737
Energy: 0.6950782058094169
Energy: 0.6819783366738619
Energy: 0.7027363331692897
Energy: 0.5631194503641852
Energy: 0.678090567289136
Energy: 0.5807632624378669
Energy: 0.6334924332126622
Energy: 0.680630489647532
Energy: 0.5651984104718463
Energy: 0.6842622187432871
Energy: 0.6526867527879109
Energy: 0.6519182017272361
Energy: 0.6203824050919896
Energy: 0.5942690829758553
Energy: 0.6489293623664755
Energy: 0.6719316475445619
Energy: 0.6913050673661857
Energy: 0.6156301334482331
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Energy: 0.5875515315590266
Energy: 0.5737704595117474
Energy: 0.5888617217629093
Energy: 0.612474729415005
Energy: 0.6374417262615317
Energy: 0.6645541129752761
Energy: 0.6609045751640745
Energy: 0.6423539436924471
Energy: 0.6811803176244204
Energy: 0.6779630579120627
Energy: 0.654069040169309
Energy: 0.7054635756254738
Energy: 0.5820134210880822
Energy: 0.6769416133054071
Energy: 0.636284371078198
Energy: 0.6702430874059019
Energy: 0.6626776968384921
Energy: 0.6116490171537031
Energy: 0.7015824267939605
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Energy: 0.6839353016627958
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Energy: 0.6496574272245467
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Energy: 0.6467721387796841
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Energy: 0.6303738333490257
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Energy: 0.6155667441491539
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Energy: 0.6376474341668249
Energy: 0.6850928460107095
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Energy: 0.6512442218949813
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Energy: 0.597589304658916
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Energy: 0.5922609827642965
Energy: 0.6477970039621519
Energy: 0.6052724327676816
Energy: 0.6286490033534593
Energy: 0.6669049576633729
Energy: 0.6993405652806463
Energy: 0.7014366936867831
Energy: 0.6348346886480732
Energy: 0.667413747634252
Energy: 0.6637292505517113
Energy: 0.6782661384856173
Energy: 0.6567088113885022
Energy: 0.5857400937682288
Energy: 0.6638230065358054
Energy: 0.5657385751682404
Energy: 0.567857176429436
Energy: 0.6072628298456134
Energy: 0.5756553678731116
Energy: 0.644437894273218
Energy: 0.634401026624555
Energy: 0.6352687811927172
Energy: 0.6431590834262101
Energy: 0.6429629694672728
Energy: 0.6563677091344807
Energy: 0.650171522130979
Energy: 0.7003705659522181
Energy: 0.5513017531545487
Energy: 0.693881589398998
Energy: 0.5924837706630327
Energy: 0.5985059646392317
Energy: 0.6244370787906057
Energy: 0.6050927750973898
Energy: 0.6506744096703195
Energy: 0.6545406145745201
Energy: 0.6812652762483417
Energy: 0.6371976207879112
Energy: 0.6094180663114254
Energy: 0.6906378739691941
Energy: 0.682664993021412
Energy: 0.6842178763254495
Energy: 0.589466866424074
Energy: 0.6766519098157018
Energy: 0.6284375040664013
Energy: 0.6945607574462915
Energy: 0.6184961157515085
Energy: 0.5705750718497461
Energy: 0.6610819717100658
Energy: 0.6328489277631769
Energy: 0.617023953759445
Energy: 0.6877539987756954
Energy: 0.6645484749161169
Energy: 0.6574163086725165
Energy: 0.605587863647655
Energy: 0.6424831851202779

minimum gb energy = 0.5513017531545487 eV
minimum distance =  2.40089973644266 Angstroms
sigma value = 401


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

Energy: 0.5885209750862056
Energy: 0.6649089142834368
Energy: 0.6318985128487911
Energy: 0.715942786540723
Energy: 0.7151950469370522
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Energy: 0.6972271480631091
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Energy: 0.5852249302850349
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Energy: 0.6490470427666319
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Energy: 0.6262370740073808
Energy: 0.6468772284670992
Energy: 0.6500328095454063
Energy: 0.6028244523519103
Energy: 0.6014048574526559
Energy: 0.5952026547986543
Energy: 0.6291244993772052
Energy: 0.6029034049416303
Energy: 0.6310957909096827
Energy: 0.6332093472524789
Energy: 0.6613967343943691
Energy: 0.6195323900011721
Energy: 0.6529011500769203
Energy: 0.6351998031664774
Energy: 0.6357997284436702
Energy: 0.6710251769101369
Energy: 0.6953652689961576
Energy: 0.5954933417162501
Energy: 0.6336116928716135
Energy: 0.6458495794988982
Energy: 0.6501974633902293
Energy: 0.644222416024756
Energy: 0.660112236146563
Energy: 0.6150388113156363
Energy: 0.588550464535639
Energy: 0.6054848915782508
Energy: 0.5936891650922358
Energy: 0.6885131965956548
Energy: 0.6399985408293615
Energy: 0.5728067163181433
Energy: 0.5972768876301265
Energy: 0.5814266302128882
Energy: 0.5757886366036885
Energy: 0.6553210030623816
Energy: 0.6257668752175094
Energy: 0.5960828158162561
Energy: 0.6056740326144574
Energy: 0.5803252941145037
Energy: 0.5792173628153973
Energy: 0.5755881645198151
Energy: 0.6836491970912151
Energy: 0.5808625765700526
Energy: 0.6324173803008512
Energy: 0.6441910500088196
Energy: 0.5757851546982575
Energy: 0.5845102238741324
Energy: 0.5909626876247023
Energy: 0.5994049057046972
Energy: 0.6257759734371492
Energy: 0.6958146829250644
Energy: 0.6025965304716161
Energy: 0.598009219847492
Energy: 0.6504963327853985
Energy: 0.5900785422715991
Energy: 0.6345366847096608
Energy: 0.6563172481531738
Energy: 0.6171700758382188
Energy: 0.6551849502512243
Energy: 0.6618107792563638
Energy: 0.5892629024137437
Energy: 0.6056449797793342
Energy: 0.6090476716158443
Energy: 0.6104605760719276
Energy: 0.6068355998428742
Energy: 0.6844499766264837
Energy: 0.7104273320535821
Energy: 0.6883256763126321
Energy: 0.6533277740513479
Energy: 0.6028151132319547
Energy: 0.572075462103091
Energy: 0.6276405549605375
Energy: 0.6782102844641056
Energy: 0.6844611069423383
Energy: 0.6533631162198134
Energy: 0.6029531631068584
Energy: 0.5905244298666061
Energy: 0.6446632894091897
Energy: 0.6025348437534709
Energy: 0.5679142225078874
Energy: 0.6619139294354087
Energy: 0.6487248329433568
Energy: 0.6014127506418381
Energy: 0.654264619984069
Energy: 0.6450428090440642
Energy: 0.6360399661177014
Energy: 0.574501626909088
Energy: 0.6804005298365726
Energy: 0.5809707187683997
Energy: 0.6280734903675759
Energy: 0.5980001881886096
Energy: 0.5850478528506347
Energy: 0.6339854474376168
Energy: 0.661105602190942
Energy: 0.6168915290236936
Energy: 0.6191119562256848
Energy: 0.6185551766681598
Energy: 0.6060653290362408
Energy: 0.618627834429363
Energy: 0.6690472668985684
Energy: 0.6856820361952112
Energy: 0.6258461431482955
Energy: 0.5971397346720666
Energy: 0.5856539142508406
Energy: 0.6318966222225683
Energy: 0.6419037344056668
Energy: 0.5733066483986329
Energy: 0.6094113363498919
Energy: 0.6129489816307411

minimum gb energy = 0.5628172685499934 eV
minimum distance =  2.46768934648512 Angstroms
sigma value = 311


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

Energy: 0.6550976642653704
Energy: 0.6390970045498208
Energy: 0.6101993304401736
Energy: 0.6019167459895691
Energy: 0.6081074829096282
Energy: 0.5814867801615262
Energy: 0.6137213917212057
Energy: 0.5960519326187899
Energy: 0.6409259042172196
Energy: 0.6502721156717622
Energy: 0.6092325482445157
Energy: 0.5962874419658155
Energy: 0.6239401700662076
Energy: 0.6135177904837061
Energy: 0.6133093133928755
Energy: 0.6190662646698973
Energy: 0.5897032840056906
Energy: 0.6323847705175859
Energy: 0.6815240255699735
Energy: 0.5921491620184604
Energy: 0.6836360926405681
Energy: 0.594266220146718
Energy: 0.5879900301011333
Energy: 0.6247513087107642
Energy: 0.7115910038755109
Energy: 0.6085425535087337
Energy: 0.5854898664226685
Energy: 0.6357444131279348
Energy: 0.6093931802025632
Energy: 0.6219644507844904
Energy: 0.6307111547304602
Energy: 0.6616529404544553
Energy: 0.6576645339406869
Energy: 0.6626672125639347
Energy: 0.6403696558317306
Energy: 0.5926370834651311
Energy: 0.6217137943881244
Energy: 0.6065173464833163
Energy: 0.5999554153524221
Energy: 0.6322074342062989
Energy: 0.6076343204000826
Energy: 0.6406163898101898
Energy: 0.6555103307694157
Energy: 0.6291775310199698
Energy: 0.6267646962991561
Energy: 0.5893123178019893
Energy: 0.6431790276736522
Energy: 0.6174835569095263
Energy: 0.7031674889973836
Energy: 0.6375528694217496
Energy: 0.665071236777289
Energy: 0.6040444619358668
Energy: 0.6189895610523136
Energy: 0.6841401995917483
Energy: 0.608079395532937
Energy: 0.6715145650496087
Energy: 0.6318039731415159
Energy: 0.6974632678109217
Energy: 0.5813101445935114
Energy: 0.5850402391229131
Energy: 0.6710170813421819
Energy: 0.6003964021902032
Energy: 0.6389633354403019
Energy: 0.5897890895095467
Energy: 0.6154935072570921
Energy: 0.615970929382987
Energy: 0.6231875090496491
Energy: 0.6343329266638467
Energy: 0.5894544689558224
Energy: 0.6170943273397025
Energy: 0.6581657402381893
Energy: 0.6310843178226486
Energy: 0.5974843081571197
Energy: 0.667207062653473
Energy: 0.6569578903983707
Energy: 0.6633858745757353
Energy: 0.6314929060012339
Energy: 0.5818449829166707
Energy: 0.6113833093837142
Energy: 0.6091918095012121
Energy: 0.6010449544106095
Energy: 0.6113976437633083
Energy: 0.6076435598749689
Energy: 0.5991567380025075
Energy: 0.6268361049323488
Energy: 0.6132398226609905
Energy: 0.6004154882198884
Energy: 0.5818727036794507
Energy: 0.6281305848083027
Energy: 0.6044137372006735
Energy: 0.592490189041211
Energy: 0.6018374117024918
Energy: 0.6976888421798384
Energy: 0.6098562513388961
Energy: 0.6327881163430228
Energy: 0.6385857351990054
Energy: 0.6114046958552424
Energy: 0.6476813338490015
Energy: 0.5801541778171184
Energy: 0.6477279561373634
Energy: 0.626539456731564
Energy: 0.5957913008316847
Energy: 0.6177658399643937
Energy: 0.6424134797723658
Energy: 0.6487938283750846
Energy: 0.5873335691424494
Energy: 0.6077997508462897
Energy: 0.5889169001518659
Energy: 0.5978021526082663
Energy: 0.6548796817004218
Energy: 0.6104322330935759
Energy: 0.591584744699231
Energy: 0.6861398368895263
Energy: 0.6321246533361197
Energy: 0.6454789345497504
Energy: 0.6579997762434932
Energy: 0.6540044680883991
Energy: 0.6695153153367956
Energy: 0.6560258715298711
Energy: 0.5943530176864479
Energy: 0.6205817523738006
Energy: 0.6221622726289171
Energy: 0.6185612174602693
Energy: 0.6191410326784536
Energy: 0.5927622430906516
Energy: 0.615972150551617
Energy: 0.6371721269193058
Energy: 0.62195126756081
Energy: 0.6459838303785216
Energy: 0.6289888556286185
Energy: 0.6475809216968008
Energy: 0.6517422214508103
Energy: 0.6605187688106514
Energy: 0.6317733908011247
Energy: 0.6966930430326764
Energy: 0.6514553562774751
Energy: 0.6215956146811291
Energy: 0.6473640851547674
Energy: 0.627542565028322
Energy: 0.6742526777232518
Energy: 0.6275001177898868
Energy: 0.6645705047100215
Energy: 0.646262038219127
Energy: 0.65416672081049
Energy: 0.6299335434582578
Energy: 0.6092746594514145
Energy: 0.6491919596117613
Energy: 0.584020739767176
Energy: 0.7048975856129712
Energy: 0.6129533711418326
Energy: 0.6063762217597967
Energy: 0.6045115995107656
Energy: 0.5947648212034967
Energy: 0.6234604519055421
Energy: 0.6876907579082185
Energy: 0.6879325195479545
Energy: 0.6442611941655251
Energy: 0.6509620590876017
Energy: 0.614946182548176
Energy: 0.6696247584009868
Energy: 0.6414829363772805
Energy: 0.6206013167455743
Energy: 0.6033002461030258
Energy: 0.6043867367504583
Energy: 0.6028706207586098
Energy: 0.5998883675999567
Energy: 0.5984696611957572
Energy: 0.654027345414262
Energy: 0.6480887760661135
Energy: 0.6244531451788359
Energy: 0.6481485742434547
Energy: 0.6197449128247492
Energy: 0.6100335556729741
Energy: 0.5789785599091506
Energy: 0.6856509855035808
Energy: 0.6191170752352535
Energy: 0.651327008582325
Energy: 0.6366670434271502
Energy: 0.6464242409319935
Energy: 0.6392447573613923
Energy: 0.6192337875710827
Energy: 0.6922414463692931
Energy: 0.6482935966653595
Energy: 0.6295418641263909
Energy: 0.6169207800790865
Energy: 0.6434138405427043
Energy: 0.613546510520488
Energy: 0.5892871710672446
Energy: 0.6247947623340796
Energy: 0.6279827782995203
Energy: 0.6491411139483056
Energy: 0.6166364024162321
Energy: 0.6174947396490313
Energy: 0.6041202901726249
Energy: 0.5749470527284368
Energy: 0.6509023244051567
Energy: 0.6643266345359073
Energy: 0.6657277768251347
Energy: 0.6280965266972388
Energy: 0.6779095173526697
Energy: 0.6593463204815918
Energy: 0.6585134799526703
Energy: 0.6631802983203184
Energy: 0.5873435368219468
Energy: 0.6213225289680203
Energy: 0.610218699222288
Energy: 0.6099446960795742
Energy: 0.6474467870694091
Energy: 0.5859045779166866
Energy: 0.6714195605686019
Energy: 0.6439680129947016
Energy: 0.6290049179463182
Energy: 0.6033245987983955
Energy: 0.6211476384643855
Energy: 0.6181724012034453
Energy: 0.6163547752731755
Energy: 0.7049823713058252
Energy: 0.637140912623677
Energy: 0.6244534496786555
Energy: 0.6645211770256029
Energy: 0.6408699920756575
Energy: 0.6419154262564207
Energy: 0.6238831541033436
Energy: 0.6732357399051768
Energy: 0.6239243966775795
Energy: 0.6226665289585672
Energy: 0.619940000937968
Energy: 0.5741931816747038
Energy: 0.6582282422234045
Energy: 0.5829977627533763
Energy: 0.7072389581327856
Energy: 0.6002003236115679
Energy: 0.6282004354075666
Energy: 0.6139753651515559
Energy: 0.6172016339470252
Energy: 0.6046356479405248
Energy: 0.5904316809516884
Energy: 0.6436619641380145
Energy: 0.5904614472455165
Energy: 0.6388463327521312
Energy: 0.6308558134767056
Energy: 0.6707029666216474
Energy: 0.6306642748426333
Energy: 0.6446769982641095
Energy: 0.6798488542565522
Energy: 0.6155517053272472
Energy: 0.6280100991983284
Energy: 0.6496796917643705
Energy: 0.6143341359858148
Energy: 0.6174710506485762
Energy: 0.5791749466482907
Energy: 0.6751089807318204

minimum gb energy = 0.5741931816747038 eV
minimum distance =  2.41257520900841 Angstroms
sigma value = 39


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

Energy: 0.5666816770829003
Energy: 0.5994577986253132
Energy: 0.7074075163358755
Energy: 0.6863038929790533
Energy: 0.6058669712814659
Energy: 0.617848687095442
Energy: 0.5414623210786308
Energy: 0.5840453002243714
Energy: 0.609939650750548
Energy: 0.612779932505804
Energy: 0.5975308433802604
Energy: 0.5883414016007308
Energy: 0.5771878627474529
Energy: 0.5931532213945182
Energy: 0.5765634735919013
Energy: 0.6020809805960603
Energy: 0.6101259080328347
Energy: 0.5916532800790747
Energy: 0.5791789256445206
Energy: 0.5844606112997629
Energy: 0.5761039893235103
Energy: 0.5757954076814586
Energy: 0.5873068248558138
Energy: 0.6110126615669266
Energy: 0.6148658911839058
Energy: 0.591326686941914
Energy: 0.6098416949185529
Energy: 0.6170865330609858
Energy: 0.5840940944121722
Energy: 0.579840779887575
Energy: 0.6116345877069096
Energy: 0.6101970031897472
Energy: 0.5913698987832343
Energy: 0.6142176065210612
Energy: 0.575561711060546
Energy: 0.5480796147198962
Energy: 0.5807815354069881
Energy: 0.6019659362597648
Energy: 0.6221738689868122
Energy: 0.609711200051352
Energy: 0.5795298333150296
Energy: 0.5766611367052336
Energy: 0.6880297102374283
Energy: 0.6011324933699289
Energy: 0.6005078074737644
Energy: 0.6969160254051922
Energy: 0.5410331315953033
Energy: 0.5411693432531608
Energy: 0.59315476129517
Energy: 0.5426488352555888
Energy: 0.6090686160379826
Energy: 0.6210478944227961
Energy: 0.6372072548572048
Energy: 0.6376322385069204
Energy: 0.6100425470056704
Energy: 0.5772090876505448
Energy: 0.539928451977682
Energy: 0.6082295777890503
Energy: 0.6308717543256044
Energy: 0.5914020070577409
Energy: 0.5800397738428943
Energy: 0.6085433843887736
Energy: 0.5761873617941988
Energy: 0.6885935456978195
Energy: 0.5911838458237165
Energy: 0.6103671489033275
Energy: 0.5909989441959151
Energy: 0.580405708632739
Energy: 0.5771398905231031
Energy: 0.5769401695755445
Energy: 0.5784932374671157
Energy: 0.5981298247432474
Energy: 0.6102043167931307
Energy: 0.5918370389572277
Energy: 0.5815428255387738
Energy: 0.5873262850837416
Energy: 0.6171475375462163
Energy: 0.5872493140906911
Energy: 0.580583297835513
Energy: 0.6302326518533081
Energy: 0.6174649590387087
Energy: 0.6065468011873945
Energy: 0.6368353912619541
Energy: 0.5876081381336065
Energy: 0.5413531597509381
Energy: 0.585042071125781
Energy: 0.6173700376493876
Energy: 0.6108753958819869
Energy: 0.6202491917139921
Energy: 0.6096374826488593
Energy: 0.5755300113879523
Energy: 0.6909827267035125
Energy: 0.5815769789178763
Energy: 0.6170985106908355
Energy: 0.6332251161825649
Energy: 0.5401694883086205
Energy: 0.5411421165973774
Energy: 0.5937163169332852
Energy: 0.5519912650248179
Energy: 0.6070635486196319
Energy: 0.600647401703853
Energy: 0.6276363435795341
Energy: 0.5469013378182642
Energy: 0.5402688535427835
Energy: 0.5928986862592983
Energy: 0.5404035043398601
Energy: 0.5803804472656303
Energy: 0.6283972060024471
Energy: 0.6129771926395168
Energy: 0.5924149459198673
Energy: 0.6187366232415086
Energy: 0.5408142734883918
Energy: 0.584757266083014
Energy: 0.6118381443348713
Energy: 0.6123453829671812
Energy: 0.5975508172834546
Energy: 0.5899900777531868
Energy: 0.5770474672749637
Energy: 0.5921662181974465
Energy: 0.576546482844183
Energy: 0.6023280966028703
Energy: 0.610109892340404
Energy: 0.5917516310155797
Energy: 0.5845048221042791
Energy: 0.5843303001337937
Energy: 0.5763820587406879
Energy: 0.5752143791345901
Energy: 0.5817352529035947
Energy: 0.6113309153408695
Energy: 0.613389023508623
Energy: 0.5913672384829145
Energy: 0.6096777587101824
Energy: 0.6170469922662593
Energy: 0.5841183892121127
Energy: 0.579703116676766
Energy: 0.6121080913653232
Energy: 0.6097502497687338
Energy: 0.5918013066377017
Energy: 0.6066392004739706
Energy: 0.5757707617591832
Energy: 0.5509337320744259
Energy: 0.5805565404080946
Energy: 0.6019803115612199
Energy: 0.6221540103131461
Energy: 0.6095012299555755
Energy: 0.5479868781595866
Energy: 0.6433092322968391
Energy: 0.6881941708050681
Energy: 0.593806726309443
Energy: 0.600799308794432
Energy: 0.6971055752666604
Energy: 0.5401369084624337
Energy: 0.5414183887227653
Energy: 0.5934409964628728
Energy: 0.5413026542192262
Energy: 0.6128003199386126
Energy: 0.6215383467289484
Energy: 0.6372864829777073
Energy: 0.6379845594480701
Energy: 0.6103120116516599
Energy: 0.5774409160475137
Energy: 0.5398645934589363
Energy: 0.6079294358241856
Energy: 0.6309191163852232
Energy: 0.5968577163082799
Energy: 0.5798085171360862
Energy: 0.6084739884712776
Energy: 0.5763856256893078
Energy: 0.6886278273649581
Energy: 0.5912517971482345
Energy: 0.6107875017291864
Energy: 0.5911263050878073
Energy: 0.5802913675807627
Energy: 0.5776292685549521
Energy: 0.5768051049604821
Energy: 0.577830196631838
Energy: 0.5981703084241872
Energy: 0.6103769849782418
Energy: 0.592363057845556
Energy: 0.5819783704083817
Energy: 0.6127311054992941
Energy: 0.6170435177511471
Energy: 0.5869702896186392
Energy: 0.5803698943527968
Energy: 0.6305506526618173
Energy: 0.6159927415246993
Energy: 0.6063512055606599
Energy: 0.6360141611288642
Energy: 0.5881655377023145
Energy: 0.5415315594970314
Energy: 0.5848442876910659
Energy: 0.6173833818990209
Energy: 0.6109855325595562
Energy: 0.6205117787797431
Energy: 0.609885024104458
Energy: 0.5754563504668151
Energy: 0.6843367590741795
Energy: 0.5802518833653932
Energy: 0.6171659820112014
Energy: 0.6337082039734481
Energy: 0.5400068563837908
Energy: 0.5411219649594432
Energy: 0.593834856863949
Energy: 0.5513405865723058
Energy: 0.6089061819404686
Energy: 0.6008528863369157
Energy: 0.5975718903310835
Energy: 0.5469137570779644
Energy: 0.5456273376102002
Energy: 0.5942796168190037

minimum gb energy = 0.5398645934589363 eV
minimum distance =  2.62496850251047 Angstroms
sigma value = 21


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

Energy: 0.7119714794521479
Energy: 0.6454995999727113
Energy: 0.6127427391870423
Energy: 0.7558269986613061
Energy: 0.5714857818956257
Energy: 0.6673670184412056
Energy: 0.5461733557759063
Energy: 0.5652518808430238
Energy: 0.5729497789802744
Energy: 0.6519240014163069
Energy: 0.6387571236549654
Energy: 0.6398493363716851
Energy: 0.6365268947206323
Energy: 0.7500060033408776
Energy: 0.6650631309724334
Energy: 0.6288359108952394
Energy: 0.649866307466474
Energy: 0.6381317182336455
Energy: 0.6135302726162923
Energy: 0.5577587353125552
Energy: 0.6091543680642447
Energy: 0.5719868297140449
Energy: 0.6605667702080011
Energy: 0.6099830091890043
Energy: 0.7004757217056168
Energy: 0.6095864029744305
Energy: 0.571550856002392
Energy: 0.6558516159731616
Energy: 0.5572798861177718
Energy: 0.6144557658517534
Energy: 0.5845426367191081
Energy: 0.6138642044451058
Energy: 0.6335947045719016
Energy: 0.5760378190903
Energy: 0.5922747023076792
Energy: 0.5420557059322568
Energy: 0.5808147898330295
Energy: 0.5968056368969502
Energy: 0.5805073337517936
Energy: 0.577055946880304
Energy: 0.5619299281380906
Energy: 0.5838185345386527
Energy: 0.5557097390710806
Energy: 0.6249190364076914
Energy: 0.5721852588579225
Energy: 0.6131394954009529
Energy: 0.5421253348565631
Energy: 0.5422836988775566
Energy: 0.5840709910985136
Energy: 0.571687706647846
Energy: 0.6131862664281212
Energy: 0.6508784829343714
Energy: 0.6616821921192456
Energy: 0.6221410636065683
Energy: 0.5581408352564604
Energy: 0.5921536049758821
Energy: 0.5710629823355632
Energy: 0.6406769554565901
Energy: 0.5862929255937904
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Energy: 0.6894268880668932
Energy: 0.6117554721520592
Energy: 0.5574942030078589
Energy: 0.6130252246488546
Energy: 0.5844002208426629
Energy: 0.6227842305930613
Energy: 0.5644322444917012
Energy: 0.6638201838969856
Energy: 0.5847722957471645
Energy: 0.695402428324481
Energy: 0.5849549764248198
Energy: 0.5823418260675037
Energy: 0.5945524003841034
Energy: 0.5426324502252595
Energy: 0.5469254953797895
Energy: 0.7503074049886741
Energy: 0.6565355480654036
Energy: 0.5640893917937557
Energy: 0.7045740728791808
Energy: 0.6813373255693683
Energy: 0.5467997378263579
Energy: 0.5421338760850195
Energy: 0.7591799446164404
Energy: 0.5424502041633517
Energy: 0.6601535156992562
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Energy: 0.6652565736358697
Energy: 0.6023738845086045
Energy: 0.6692653229131211
Energy: 0.5452634599257633
Energy: 0.5422163878431606
Energy: 0.5735742328071648
Energy: 0.5746437651045597
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Energy: 0.6400505133751749
Energy: 0.6464976159493206
Energy: 0.748877469196068
Energy: 0.5933860196364361
Energy: 0.6419521238054289
Energy: 0.5845022648311126
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Energy: 0.6290562746985413
Energy: 0.6507314205242496
Energy: 0.6708674101031666
Energy: 0.6750212432355545
Energy: 0.6541793004504313
Energy: 0.6144947060963932
Energy: 0.5849419658747056
Energy: 0.6098379825024745
Energy: 0.6194232005463188
Energy: 0.6118318593299062
Energy: 0.5730309031770608
Energy: 0.613393105280258
Energy: 0.5755126619781293
Energy: 0.604379298537828
Energy: 0.5839694121800062
Energy: 0.5649866835948834
Energy: 0.5929096026916686
Energy: 0.5437867920591861
Energy: 0.5835405361511437
Energy: 0.6305794938388245
Energy: 0.6899602148232661
Energy: 0.5683261949069536
Energy: 0.560302920879908
Energy: 0.6097033296396757
Energy: 0.5495744171689694
Energy: 0.6057198733448096
Energy: 0.5795207788492867
Energy: 0.6122687667320147
Energy: 0.5427326561392896
Energy: 0.5425039816631384
Energy: 0.5846390116929887
Energy: 0.5681557711648134
Energy: 0.6196335903040635
Energy: 0.6047344547814439
Energy: 0.6100177340693312
Energy: 0.6200859098919589
Energy: 0.5574724720585053
Energy: 0.5919060039653374
Energy: 0.5716390988382846
Energy: 0.6591433758626482
Energy: 0.6799183186511937
Energy: 0.6842377894123618
Energy: 0.5570581403921577
Energy: 0.5723420456745624
Energy: 0.6114748759222888
Energy: 0.5666695618362495
Energy: 0.6681361632606145
Energy: 0.631168108047429
Energy: 0.6239488518767418
Energy: 0.6263779544160634
Energy: 0.6249390636958919
Energy: 0.5572263208200734
Energy: 0.6371475345335912
Energy: 0.614719689500933
Energy: 0.6542219117940857
Energy: 0.6986371139695169
Energy: 0.5924225635878333
Energy: 0.6471461496257156
Energy: 0.5815245708171648
Energy: 0.6753131951160671
Energy: 0.5832920928539069
Energy: 0.6126245628762622
Energy: 0.6636322945139005
Energy: 0.5422352248689418
Energy: 0.620351446564345
Energy: 0.6768025680543984
Energy: 0.5422184160606014
Energy: 0.5743389210049642
Energy: 0.6642593947999477
Energy: 0.603557797788068
Energy: 0.5778062470577768
Energy: 0.6469484230545732
Energy: 0.7520890833193101

minimum gb energy = 0.5420557059322568 eV
minimum distance =  2.4599206285026 Angstroms
sigma value = 113


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

Energy: 0.6921738129633574
Energy: 0.8083038206133086
Energy: 0.7306959467943077
Energy: 0.7589793904979844
Energy: 0.7128281200541778
Energy: 0.715397840091736
Energy: 0.7968738578283003
Energy: 0.7517118216566333
Energy: 0.7472751452900824
Energy: 0.7463981424958451
Energy: 0.7635232408150141
Energy: 0.7526939832146538
Energy: 0.7408734008836605
Energy: 0.7951425589202437
Energy: 0.7250314583280972
Energy: 0.7490961625273851
Energy: 0.6806713972087998
Energy: 0.7249690097714063
Energy: 0.7435619050531852
Energy: 0.7018320484731725
Energy: 0.7667050092127276
Energy: 0.6906899251918909
Energy: 0.7941894995153314
Energy: 0.6972046073819236
Energy: 0.7457074583432274
Energy: 0.7340658249156684
Energy: 0.6909248200077549
Energy: 0.7861771031289086
Energy: 0.6762875480822234
Energy: 0.7309226164748482
Energy: 0.7190741978425614
Energy: 0.7181193797425375
Energy: 0.7060785907954712
Energy: 0.729472238274762
Energy: 0.7153442081727532
Energy: 0.6299244742698565
Energy: 0.6885105297074878
Energy: 0.7000010290975868
Energy: 0.7035316439574254
Energy: 0.6499434664545111
Energy: 0.6474877002115123
Energy: 0.6820358960183207
Energy: 0.6835802028181528
Energy: 0.6955394671787272
Energy: 0.6953331702024702
Energy: 0.6839974064693086
Energy: 0.6924561800394893
Energy: 0.6850179710441856
Energy: 0.7403036195023532
Energy: 0.6523328114416593
Energy: 0.6480044177524403
Energy: 0.7083780103919174
Energy: 0.7265242735141485
Energy: 0.7131891720888023
Energy: 0.6686208328031906
Energy: 0.6611791401549054
Energy: 0.6459335470825699
Energy: 0.7022591025546383
Energy: 0.7031554012643855
Energy: 0.6460856660147489
Energy: 0.6689336578957285
Energy: 0.6794579761763675
Energy: 0.6797519448349761
Energy: 0.6839858742809827
Energy: 0.7056674682072462
Energy: 0.668053122803461
Energy: 0.6453833932268808
Energy: 0.7028132873063758
Energy: 0.6381801689668578
Energy: 0.6847103772221466
Energy: 0.6730939100946771
Energy: 0.6742297864295367
Energy: 0.6923900824499074
Energy: 0.6764305568123398
Energy: 0.6869857502508055
Energy: 0.668617851213664
Energy: 0.6710485030362406
Energy: 0.6791247657040982
Energy: 0.6466879433631129
Energy: 0.6866513618636346
Energy: 0.6499602457008954
Energy: 0.6501923518845791
Energy: 0.6959402707555934
Energy: 0.7051898557489327
Energy: 0.6790976190782045
Energy: 0.6427614449951429
Energy: 0.6413685690259264
Energy: 0.7009467327749137
Energy: 0.7036197919404098
Energy: 0.6959490371996442
Energy: 0.6538569438953911
Energy: 0.7057278427241576
Energy: 0.6968095371803432
Energy: 0.7066629334220371
Energy: 0.6809599053812889
Energy: 0.6646526679606642
Energy: 0.6239075554901989
Energy: 0.718852448216885
Energy: 0.6287501016063164
Energy: 0.6881327719933229
Energy: 0.6691115520860788
Energy: 0.6918689543114771
Energy: 0.6650789712688597
Energy: 0.6461616657325954
Energy: 0.7055506676451047
Energy: 0.6841426219818307
Energy: 0.6933629020754485
Energy: 0.696710420425706
Energy: 0.7262484979834228
Energy: 0.7121060114846506
Energy: 0.692779027411903
Energy: 0.6909175541487586
Energy: 0.6813695968680237
Energy: 0.7420761110670127
Energy: 0.6798868242131952
Energy: 0.7258617569507926
Energy: 0.6945935921260844
Energy: 0.7162048143678656
Energy: 0.7084719437312774
Energy: 0.6617926766783392
Energy: 0.712059928332473
Energy: 0.6694494781030902
Energy: 0.7037590157034911
Energy: 0.6968547207254961
Energy: 0.6971763954174459
Energy: 0.7072750472225995
Energy: 0.7412875359353267
Energy: 0.7491876200346946
Energy: 0.7112218962638469
Energy: 0.7526593052063442
Energy: 0.7665660180982621
Energy: 0.7672386722763186
Energy: 0.7678785367580538
Energy: 0.6773692573862273
Energy: 0.712983309064498
Energy: 0.706781089743634
Energy: 0.7330092462399971
Energy: 0.7192866202911298
Energy: 0.7286498326871599
Energy: 0.7383742596417043
Energy: 0.7416358234197571
Energy: 0.741571271970648
Energy: 0.6704622031379428
Energy: 0.765651065777115
Energy: 0.7123757140935434
Energy: 0.6770025673318988
Energy: 0.7139268249520879
Energy: 0.7487985762598723
Energy: 0.7558822004854064
Energy: 0.677739086321164
Energy: 0.7908638867959926
Energy: 0.6998258081915594
Energy: 0.6909449556102941
Energy: 0.7542282555921518
Energy: 0.6756193862515486
Energy: 0.7883112674963051
Energy: 0.7245186505527119
Energy: 0.7358698949167897
Energy: 0.7296073853876748
Energy: 0.7356307783403473
Energy: 0.7118288295271675
Energy: 0.7548036525637759
Energy: 0.7740504850985517
Energy: 0.7314536276845487
Energy: 0.772158182677972
Energy: 0.7750555317621033
Energy: 0.7419198510433991
Energy: 0.7747626611406153
Energy: 0.67671086193618
Energy: 0.7588476101969296
Energy: 0.6813638945856945
Energy: 0.7238211384670885
Energy: 0.7044642052429612
Energy: 0.6921903540860027
Energy: 0.7260693372106366
Energy: 0.6900597042189249
Energy: 0.7544328886141088
Energy: 0.7093081390731373
Energy: 0.7279250838258267
Energy: 0.7374341923029121
Energy: 0.6946655692211695
Energy: 0.7299877634066296
Energy: 0.6690220262625964
Energy: 0.7354268860001748
Energy: 0.7236478779661294
Energy: 0.7315777094146211
Energy: 0.7143498763189609
Energy: 0.729995348267451
Energy: 0.7168883272844457
Energy: 0.6296699372089363
Energy: 0.7061076576994998
Energy: 0.650593930630735
Energy: 0.7042837954330817
Energy: 0.6722835288091935
Energy: 0.6450366268168377
Energy: 0.7145773305476221
Energy: 0.7041894511725212
Energy: 0.7019745086640754
Energy: 0.7038799922731613
Energy: 0.6969231324043152
Energy: 0.6945827760943605
Energy: 0.6935997572779022
Energy: 0.729206079770347
Energy: 0.6907601837045548
Energy: 0.6445384609792209
Energy: 0.6877576432296438
Energy: 0.7255406728302285
Energy: 0.7168535030997458
Energy: 0.6616698235421069
Energy: 0.664154249094899
Energy: 0.648192241446439
Energy: 0.6910713739602737
Energy: 0.7005629541287562
Energy: 0.7150127515051277
Energy: 0.6549406589870124
Energy: 0.68604409245432
Energy: 0.7199249017027481
Energy: 0.6912742715411031
Energy: 0.7056809170970733
Energy: 0.6755769639152505
Energy: 0.6610806506216536
Energy: 0.6730797946468239
Energy: 0.6593629780492708
Energy: 0.6838469324718577
Energy: 0.6592623048749575
Energy: 0.6794359539605569
Energy: 0.6725206056690567
Energy: 0.6767041320741619
Energy: 0.6773432776626642
Energy: 0.6636135052834707
Energy: 0.6700321938599956
Energy: 0.6813951512105779
Energy: 0.6762100268344042
Energy: 0.6952531891584791
Energy: 0.6500626789198547
Energy: 0.6571770168443283
Energy: 0.6982018555321978
Energy: 0.7057743141955579
Energy: 0.6934988995107584
Energy: 0.638294788227165
Energy: 0.651906840065107
Energy: 0.7020261635696968
Energy: 0.7039261397621572
Energy: 0.6812583348062019
Energy: 0.6540731536499887
Energy: 0.7041303339899144
Energy: 0.6976501593956648
Energy: 0.71802082257087
Energy: 0.6796467144517578
Energy: 0.6659306081034638
Energy: 0.6758482299460938
Energy: 0.7202432805516181
Energy: 0.6203217631831616
Energy: 0.7015010427638947
Energy: 0.7048637109158971
Energy: 0.6713772448066048
Energy: 0.663655895627557
Energy: 0.6561585817284354
Energy: 0.7038601948665174
Energy: 0.6798006503592996
Energy: 0.6965341248412221
Energy: 0.6880693020175855
Energy: 0.7157686134806498
Energy: 0.6964589113729596
Energy: 0.6922486212690504
Energy: 0.6875740842431969
Energy: 0.6678985763696802
Energy: 0.7153353559725297
Energy: 0.6831007749041339
Energy: 0.7273307368316443
Energy: 0.6929402068221298
Energy: 0.6846724794799051
Energy: 0.7651703679200431
Energy: 0.6634836682370784
Energy: 0.728867352950806
Energy: 0.6665887923707486
Energy: 0.7032621519563678
Energy: 0.7344166718461214
Energy: 0.6935346081793574
Energy: 0.6940202076254707
Energy: 0.7389389263353567
Energy: 0.7454291827788518
Energy: 0.7423869388563494
Energy: 0.7419804689864433
Energy: 0.762478514976499
Energy: 0.7502040284508196
Energy: 0.7637552891592307
Energy: 0.6890007518793405
Energy: 0.7561794303228104
Energy: 0.7039987068640801
Energy: 0.7638650665146469
Energy: 0.7142222695207392
Energy: 0.7337298240607898
Energy: 0.7702542191088508
Energy: 0.7551201363114675
Energy: 0.7586527951471057
Energy: 0.6988347198683542
Energy: 0.7820358127639924
Energy: 0.7230605706500293
Energy: 0.690966383737803
Energy: 0.7968479153265461
Energy: 0.7638784554817325
Energy: 0.7290006738380832
Energy: 0.6779170438668317
Energy: 0.7707921741703391
Energy: 0.7234375735404124
Energy: 0.6750080908413545
Energy: 0.7805126593462768
Energy: 0.6890731460387206
Energy: 0.7012183109375891
Energy: 0.7137443440143958
Energy: 0.7472714457614551
Energy: 0.7125215306604296
Energy: 0.7149277139827048
Energy: 0.7053875441935071

minimum gb energy = 0.6203217631831616 eV
minimum distance =  2.39372938801996 Angstroms
sigma value = 365


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

Energy: 0.6120290288367349
Energy: 0.7097425161983975
Energy: 0.6153995834570618
Energy: 0.6083020995887422
Energy: 0.6072474655488507
Energy: 0.6172487379939448
Energy: 0.6086056809051748
Energy: 0.6091047536532103
Energy: 0.702962865361711
Energy: 0.6075922919734907
Energy: 0.6087638160422605
Energy: 0.6082987861061778
Energy: 0.6071150247283237
Energy: 0.7029317107843415
Energy: 0.6076361665131643
Energy: 0.703248037629539
Energy: 0.6088576573047983
Energy: 0.6094600110941321
Energy: 0.6085575701882727
Energy: 0.6096289406305149
Energy: 0.6079760693506451
Energy: 0.6086484814831079
Energy: 0.7041992533936627
Energy: 0.6096352018627366
Energy: 0.6124415149139065
Energy: 0.6083876683023616
Energy: 0.6106310302634347
Energy: 0.6081813692223533
Energy: 0.6253038336766805
Energy: 0.7030715819367659
Energy: 0.6185279417028847
Energy: 0.7278168165898224
Energy: 0.6083274308990017
Energy: 0.6182036712660511
Energy: 0.7113767326702554
Energy: 0.6120874068625765
Energy: 0.7022816879488043
Energy: 0.6108689792813761
Energy: 0.6082991236891045
Energy: 0.6084524613469267
Energy: 0.6117877095753889
Energy: 0.6084855613814291
Energy: 0.608466182528144
Energy: 0.7031066809590424
Energy: 0.6074522733363428
Energy: 0.6084681393460816
Energy: 0.6084386315461927
Energy: 0.6073446142742855
Energy: 0.7033635081972002
Energy: 0.6083729929453723
Energy: 0.7026466389984984
Energy: 0.6091898721287821
Energy: 0.6092247033761717
Energy: 0.6086165255616254
Energy: 0.607888903363817
Energy: 0.7128572596512917
Energy: 0.610080738920157
Energy: 0.7025651613549018
Energy: 0.6107926872444026
Energy: 0.6075344615269194
Energy: 0.6173661061442975
Energy: 0.6114430312579631
Energy: 0.6086226441962811
Energy: 0.6249017944431448
Energy: 0.710884141316797
Energy: 0.6184796413602816
Energy: 0.723934044391958
Energy: 0.7247531043968855
Energy: 0.6185928895937628
Energy: 0.710542840776287
Energy: 0.6088453321414485
Energy: 0.7045256194406126
Energy: 0.6104538061407204
Energy: 0.6069502789594945
Energy: 0.6080915432235129
Energy: 0.6112486177879196
Energy: 0.6080898924727635
Energy: 0.6081327269006642
Energy: 0.7027036946032138
Energy: 0.6092062696507008
Energy: 0.6087106305490425
Energy: 0.6088557795475744
Energy: 0.6101022522539864
Energy: 0.7128496091218048
Energy: 0.6087391397377525
Energy: 0.703246902369468
Energy: 0.6072559943912463
Energy: 0.6090441000994644
Energy: 0.6087566364855606
Energy: 0.6073868476597789
Energy: 0.7027043590370761
Energy: 0.6120236743985213
Energy: 0.702421290530775
Energy: 0.6142412599384216
Energy: 0.6081269704663518
Energy: 0.6076327658721273
Energy: 0.6136269093205299
Energy: 0.608787711221604
Energy: 0.6253325988346486
Energy: 0.7031681504820112
Energy: 0.6182239361417705
Energy: 0.6507602317231163
Energy: 0.6081508259757129
Energy: 0.6074870438443766
Energy: 0.7113171242948124
Energy: 0.6086939300326165
Energy: 0.7035684029845184
Energy: 0.6092723705000443
Energy: 0.6095681193846143
Energy: 0.6086749803480316
Energy: 0.6105243370270174
Energy: 0.6077529760534067
Energy: 0.6079019296413923
Energy: 0.7035386765990045
Energy: 0.6093373931893304
Energy: 0.6093995202582287
Energy: 0.608771763925612
Energy: 0.6098731682005724
Energy: 0.6082681676163055
Energy: 0.6253495962076447
Energy: 0.7024045696656134
Energy: 0.6100217247828799
Energy: 0.6088210303044478
Energy: 0.6085285460575484
Energy: 0.6072147534253693
Energy: 0.713964869533606
Energy: 0.6120006282300512
Energy: 0.7031572831996582
Energy: 0.6154475768405467
Energy: 0.6084005567604409
Energy: 0.6073364970291754
Energy: 0.6160548223626527
Energy: 0.6086265476465729
Energy: 0.6082991396728489
Energy: 0.703427681820833
Energy: 0.6068181701222317
Energy: 0.6088820073468341
Energy: 0.6084278150973619
Energy: 0.6072114247350819
Energy: 0.7032590737763295

minimum gb energy = 0.6068181701222317 eV
minimum distance =  2.54960752962042 Angstroms
sigma value = 23