Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
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=[4.6098627201765e-19, 5.198230045480319e-19, 5.42730926060964e-19, 5.50669711282434e-19, 5.59858194278424e-19, 5.71711097016756e-19, 5.82444078287922e-19, 5.87856230957574e-19, 5.89315813871148e-19, 5.884954994345399e-19, 5.86975033808874e-19, 5.86265269560012e-19, 5.874669020355119e-19, 5.910830146984499e-19, 5.970110682442499e-19, 6.04674279084672e-19, 6.132154827205259e-19, 6.2167978187794795e-19, 6.29243657767062e-19, 6.35344746389334e-19, 6.39713882070252e-19, 6.4244078670132e-19, 6.43889154378456e-19, 6.443377638359759e-19, 6.4386832608221385e-19, 6.423446561032799e-19, 6.39579299232996e-19, 6.353976182182559e-19, 6.296954715778499e-19, 6.22464848428608e-19, 6.13867568610564e-19, 6.039981605451239e-19, 5.92867839468726e-19, 5.802795376553879e-19, 5.65187033763108e-19, 5.45211095490396e-19, 5.164776597362399e-19, 4.740456137613839e-19, 4.1281362716317194e-19, 3.28890012897618e-19, 2.2230040579086596e-19, 9.555717902269139e-20, -5.48606107777842e-20, -2.4749623553715e-19, -5.29714843086348e-19, -1.015424302743252e-18, -2.00499588332028e-18, -4.44849148960002e-18, -1.1584217716810199e-17, -3.50304705787662e-17, -1.21056461023455e-16, -4.833750883011659e-16]
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: 0.015352051114146217
Energy: 0.6572427296381579
Energy: 0.6442522019600889
Energy: 0.015969026780795023
Energy: 0.015638098508546017
Energy: 0.6614950187535169
Energy: 0.1657081652973383
Energy: 0.16429824854953656
Energy: 0.2388991713394917
Energy: 0.3600061656761582
Energy: 0.16357340998431372
Energy: 0.2807450550185979
Energy: 0.30614827364215175
Energy: 0.26407432574375583
Energy: 0.3067153551180628
Energy: 0.339008914996859
Energy: 0.26031828143260904
Energy: 0.2433306430382445
Energy: 0.33088406934714487
Energy: 0.2609640850993244
Energy: 0.16351849791451523
Energy: 0.3007108967994281
Energy: 0.3221451198208137
Energy: 0.3187911375599557
Energy: 0.30491560609709156
Energy: 0.32591782958486665
Energy: 0.2618267741502616
Energy: 0.140266984444704
Energy: 0.24453581132959426
Energy: 0.3067853147070344
Energy: 0.28174223355481887
Energy: 0.24086788759672312
Energy: 0.36021473409925303
Energy: 0.3393827124004601
Energy: 0.2808243635023382
Energy: 0.015664615649750507
Energy: 0.26004693815137403
Energy: 0.2647574181372708
Energy: 0.016025584447306476
Energy: 0.016030280365071023
Energy: 0.36194679643405625
Energy: 0.2631327928443773

minimum gb energy = 0.015352051114146217 eV
minimum distance =  2.34126559636541 Angstroms
sigma value = 5


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

Energy: 0.7976817715963098
Energy: 0.6956090167221775
Energy: 0.7051224103090585
Energy: 0.6650690405272597
Energy: 0.6814739879371888
Energy: 0.6830935956167441
Energy: 0.6928934885293524
Energy: 0.6622841821935695
Energy: 0.647241189290506
Energy: 0.6197623300001017
Energy: 0.6461826610140866
Energy: 0.6650386597134029
Energy: 0.592314295510871
Energy: 0.6329986267543263
Energy: 0.5777415140215258
Energy: 0.6164250974472212
Energy: 0.6088140630683573
Energy: 0.6066032036854043
Energy: 0.6058461830018825
Energy: 0.6100946289479546
Energy: 0.6000295234422162
Energy: 0.6015876092115088
Energy: 0.5706191369056262
Energy: 0.5607710691187768
Energy: 0.55821371213495
Energy: 0.5847939963635147
Energy: 0.5743000114091072
Energy: 0.5972396523227569
Energy: 0.5875659653807581
Energy: 0.5585176365782785
Energy: 0.5811992693713788
Energy: 0.5931924317134376
Energy: 0.5641659301641362
Energy: 0.5593576856746272
Energy: 0.5732795330328936
Energy: 0.5721068608314864
Energy: 0.5882792932045419
Energy: 0.5898841041660269
Energy: 0.564136396087334
Energy: 0.5738647451858409
Energy: 0.5735922136347481
Energy: 0.5745596316587214
Energy: 0.6013150536672182
Energy: 0.6066050466751653
Energy: 0.5768239813428523
Energy: 0.5659196371472542
Energy: 0.5851374605153027
Energy: 0.5577127497307154
Energy: 0.5593337551856697
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Energy: 0.5796644031017016
Energy: 0.6105622795876906
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Energy: 0.5886800643501934
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Energy: 0.6326281898828854
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Energy: 0.6587266855651324
Energy: 0.6267945252034665
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Energy: 0.6248620027948268
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Energy: 0.6047090110504124
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Energy: 0.5562132672363916
Energy: 0.5558254395840841
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Energy: 0.5965934151947833
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Energy: 0.5270460250376092
Energy: 0.5483431791973565
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Energy: 0.5470635028480282
Energy: 0.6083686733311069
Energy: 0.5644729390051118
Energy: 0.5999014342785712
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Energy: 0.5925048951699453
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Energy: 0.5834287891993273
Energy: 0.5503964872438248
Energy: 0.5395413969005942
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Energy: 0.6160476557506552
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Energy: 0.60818565133687
Energy: 0.5992648396074612
Energy: 0.5894878847933875
Energy: 0.5934946099579917
Energy: 0.5766205269981881
Energy: 0.6166805576676763
Energy: 0.6172587859218243
Energy: 0.6526155604964186
Energy: 0.6065930268093028
Energy: 0.6111062638383417
Energy: 0.6394545471119771
Energy: 0.6280434417883536
Energy: 0.5530972711189687
Energy: 0.6441155885853436
Energy: 0.6485965562821895
Energy: 0.5972657114849247
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Energy: 0.5912780375155098
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Energy: 0.5753213517149998
Energy: 0.6021501063621907
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Energy: 0.588309328029476
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Energy: 0.6090933860746125
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Energy: 0.6748507444554236
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Energy: 0.6095975676122817
Energy: 0.6479520026275342
Energy: 0.6590598958010615
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Energy: 0.5917938045997013
Energy: 0.5928591661132017
Energy: 0.6311649811620387
Energy: 0.5785579583590301
Energy: 0.5745787776763911
Energy: 0.5912536414967132
Energy: 0.5938128769686957
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Energy: 0.5780581307820252
Energy: 0.5490177808295875
Energy: 0.5831964447340336
Energy: 0.561290202210166
Energy: 0.5401288083223299
Energy: 0.5963511077414914
Energy: 0.5404911038859274
Energy: 0.5708603255352276
Energy: 0.5784627371769921
Energy: 0.5434927378612897
Energy: 0.5641273941922142
Energy: 0.5579653369568428
Energy: 0.5799641323069701
Energy: 0.5400183776177666
Energy: 0.5643519638105847
Energy: 0.57399567619497
Energy: 0.5450180628102823
Energy: 0.5407118244230956
Energy: 0.5643822665124517
Energy: 0.5609039120980213
Energy: 0.6193861830948851
Energy: 0.6134100279883548
Energy: 0.5954692137740331
Energy: 0.6075259066242847
Energy: 0.609219327045925
Energy: 0.5958418764907495
Energy: 0.5963110100998205
Energy: 0.6157471216510974
Energy: 0.5933105235928392
Energy: 0.6217982291430899
Energy: 0.5886196662828457
Energy: 0.5879193014038055
Energy: 0.6070731330606343
Energy: 0.5961502897390563
Energy: 0.6211610605648435
Energy: 0.609381407686088
Energy: 0.615559232561534
Energy: 0.6216090782514762
Energy: 0.6371520260131606
Energy: 0.6351213168658804
Energy: 0.5955974906319456
Energy: 0.6845622455532868
Energy: 0.658510933403812
Energy: 0.6674776793654703
Energy: 0.6707842055982197
Energy: 0.6710931246927951
Energy: 0.6535686725994546
Energy: 0.6486990535509625

minimum gb energy = 0.4952645200393305 eV
minimum distance =  2.28249493274173 Angstroms
sigma value = 401


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

Energy: 0.7666290118831433
Energy: 0.6444837379114903
Energy: 0.7005383759753203
Energy: 0.6560280796142809
Energy: 0.6319895030932661
Energy: 0.6496052942410164
Energy: 0.7012482199593383
Energy: 0.6066374032528917
Energy: 0.6462303840359863
Energy: 0.6514197466904738
Energy: 0.5607368204872614
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Energy: 0.5634525502963597
Energy: 0.6220507975842581
Energy: 0.600746842889945
Energy: 0.6050389393722448
Energy: 0.6096863193993076
Energy: 0.5733321971557745
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Energy: 0.6517271498209943
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Energy: 0.6145781702471369
Energy: 0.6093278393059784
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Energy: 0.6211392558573914
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Energy: 0.5486218024168077
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Energy: 0.5984904509193532
Energy: 0.6139348537900171
Energy: 0.5968857489444381
Energy: 0.6676017040970039
Energy: 0.6168101615124604
Energy: 0.589301741370555
Energy: 0.6458671722690531
Energy: 0.6474642808133221
Energy: 0.6329195688866365
Energy: 0.5597999999475706
Energy: 0.5926172633947074
Energy: 0.5783191061815882
Energy: 0.5821719443600661
Energy: 0.5773161589731248
Energy: 0.5922921148816539
Energy: 0.5880294084957303
Energy: 0.6311853757001759
Energy: 0.6033900005704393
Energy: 0.5714405093889352
Energy: 0.6452002862886125
Energy: 0.5800874931670721
Energy: 0.6951755173793281
Energy: 0.698435747493033
Energy: 0.677419358673516
Energy: 0.6360790238090727
Energy: 0.6422813119065467
Energy: 0.6511722222477765
Energy: 0.6362546825830323
Energy: 0.6881641876008079
Energy: 0.586933639841771
Energy: 0.6541036084095979
Energy: 0.6061007030831509
Energy: 0.609872594591869
Energy: 0.6411862718164569
Energy: 0.6114548552783569
Energy: 0.6947039464369972
Energy: 0.6545583492756416
Energy: 0.5740839538678112
Energy: 0.5949142477506265
Energy: 0.5850766250767059
Energy: 0.6034673166867861
Energy: 0.575697891833197
Energy: 0.6048958775071268
Energy: 0.6563214447045564
Energy: 0.6478884283717541
Energy: 0.6706421967240697
Energy: 0.6348418726938893
Energy: 0.6413798956924391
Energy: 0.6403847369743096
Energy: 0.6362146911619248
Energy: 0.6257850438706118
Energy: 0.5795611316267099
Energy: 0.5784685454383088
Energy: 0.6122211543272849
Energy: 0.6125680547327199
Energy: 0.5728500083714114
Energy: 0.5973232390219064
Energy: 0.6223806033852175
Energy: 0.564715629423924
Energy: 0.6138225338849016
Energy: 0.6195335077727531
Energy: 0.5705192354480788
Energy: 0.5791772545389094
Energy: 0.6193709010525528
Energy: 0.5667131824537615
Energy: 0.6223566447040059
Energy: 0.5871243541737506
Energy: 0.5761166479971217
Energy: 0.5936503829302847
Energy: 0.5942532797085276
Energy: 0.6212639559074229
Energy: 0.5265158377728215
Energy: 0.6414386251841906
Energy: 0.6454621680621498
Energy: 0.5312759534863168
Energy: 0.5226952469323686
Energy: 0.5917664191941929
Energy: 0.638630357810877
Energy: 0.6245657928789922
Energy: 0.6125321880079028
Energy: 0.6047888722575822
Energy: 0.6258046937662307
Energy: 0.6122162125428688
Energy: 0.6239372116253843
Energy: 0.6270323013914828
Energy: 0.6539350982447953
Energy: 0.6841979904640432
Energy: 0.6284400013870748
Energy: 0.6879309678790578
Energy: 0.6446470972173303
Energy: 0.631698958841805
Energy: 0.6836459248522638
Energy: 0.527854825519247
Energy: 0.6650914738626987
Energy: 0.6654960756648062
Energy: 0.5576483088774478
Energy: 0.6040769900561714
Energy: 0.6204225550488122
Energy: 0.6766065181314935
Energy: 0.6295950618954416
Energy: 0.6546319650771762
Energy: 0.6584352829968422
Energy: 0.6082231731784764
Energy: 0.62862270231357
Energy: 0.6100376622464884
Energy: 0.663287684337589

minimum gb energy = 0.4928471360987514 eV
minimum distance =  2.25064449724381 Angstroms
sigma value = 311


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

Energy: 0.671655742867632
Energy: 0.7072633650806983
Energy: 0.6906485034108183
Energy: 0.6617055474689046
Energy: 0.6575470072566681
Energy: 0.6722604127188494
Energy: 0.6528330052493067
Energy: 0.6064236114078332
Energy: 0.5959035882270617
Energy: 0.6205848260233899
Energy: 0.6015725845385255
Energy: 0.6013851881492271
Energy: 0.5823363654020304
Energy: 0.5883593183809815
Energy: 0.5944803511858332
Energy: 0.5771551279975421
Energy: 0.5661870213271792
Energy: 0.5791236405094685
Energy: 0.5881505594296386
Energy: 0.5836312693720185
Energy: 0.6105474427876149
Energy: 0.6129890649059471
Energy: 0.5906634180501895
Energy: 0.5740742659537947
Energy: 0.6366030747093435
Energy: 0.5992824327860711
Energy: 0.6020874048987013
Energy: 0.6364096938277551
Energy: 0.6320931275722514
Energy: 0.6022545187579176
Energy: 0.5972376759300313
Energy: 0.5929724395073742
Energy: 0.6096453023070022
Energy: 0.5911346428909384
Energy: 0.6029090307661763
Energy: 0.6088382603892452
Energy: 0.6037459678245711
Energy: 0.6117420174410929
Energy: 0.6071895502558818
Energy: 0.6144111560293627
Energy: 0.6239762105616808
Energy: 0.6070297380674
Energy: 0.6442309001356955
Energy: 0.6171372582452361
Energy: 0.6060351461800332
Energy: 0.5968550475664922
Energy: 0.5963772361387247
Energy: 0.5935544715122312
Energy: 0.6247197084509941
Energy: 0.6200491161587405
Energy: 0.6118222662573315
Energy: 0.6049221980690856
Energy: 0.6229382134284466
Energy: 0.6249598207521402
Energy: 0.607332898534731
Energy: 0.6129607517170397
Energy: 0.6526915630468046
Energy: 0.6466584556329048
Energy: 0.6400395949818116
Energy: 0.6280005377110749
Energy: 0.6594380794559128
Energy: 0.6422014066010463
Energy: 0.6861296093049918
Energy: 0.6905236764655838
Energy: 0.6544608219817106
Energy: 0.6836002365258506
Energy: 0.6359318585658851
Energy: 0.7016033856988344
Energy: 0.6566676748956287
Energy: 0.6874389791033907
Energy: 0.6014605061494489
Energy: 0.6120932646030517
Energy: 0.6308475789333907
Energy: 0.6201571082932833
Energy: 0.6075817671325565
Energy: 0.6071063167746172
Energy: 0.5977515945958158
Energy: 0.6278115054734307
Energy: 0.6055404285341267
Energy: 0.5666096282263119
Energy: 0.5981555213013025
Energy: 0.5766654182897158
Energy: 0.5770983405223076
Energy: 0.5886683318229722
Energy: 0.5903327524547044
Energy: 0.5890836061604425
Energy: 0.5820628593595065
Energy: 0.5836733091638483
Energy: 0.6419153822480202
Energy: 0.5717607212281917
Energy: 0.5722551222786348
Energy: 0.6019528447853946
Energy: 0.6220542044981043
Energy: 0.5883740149041103
Energy: 0.5831421019584394
Energy: 0.5851225602323844
Energy: 0.6058386709484599
Energy: 0.6022406211963498
Energy: 0.5754590361601774
Energy: 0.5657366488308943
Energy: 0.5944030138135196
Energy: 0.5811193472116264
Energy: 0.5702183378401402
Energy: 0.5756451675707942
Energy: 0.629135086935959
Energy: 0.579153895172529
Energy: 0.5920576296663399
Energy: 0.6238361748956579
Energy: 0.6045616073295864
Energy: 0.6122411567338457
Energy: 0.6174927643621975
Energy: 0.6192958507849148
Energy: 0.5964553898840061
Energy: 0.6136060968462584
Energy: 0.6027718235447724
Energy: 0.5994692114006621
Energy: 0.5933929781017797
Energy: 0.6000623230984288
Energy: 0.612529179526389
Energy: 0.6267108583831315
Energy: 0.6113640202305298
Energy: 0.5961788690588704
Energy: 0.6247604772090486
Energy: 0.6601500506891262
Energy: 0.6162824601998961
Energy: 0.6161573481501226
Energy: 0.5965849829420582
Energy: 0.6248158034394424
Energy: 0.5867033233256529
Energy: 0.5936344151308148
Energy: 0.5942603071804698
Energy: 0.6054223316877237
Energy: 0.6039275344805904
Energy: 0.6092315626375635
Energy: 0.6391040748717637
Energy: 0.6051556965137027
Energy: 0.6247859382048176
Energy: 0.6024247827516329
Energy: 0.6108333658923841
Energy: 0.5975728301916177
Energy: 0.6744044017210363
Energy: 0.7122504972125335
Energy: 0.6304487633962343
Energy: 0.6378968452873719
Energy: 0.721504695090413
Energy: 0.6453107113030746
Energy: 0.6941875265393846
Energy: 0.6415545134793906
Energy: 0.646455921532624
Energy: 0.6261259275442254
Energy: 0.6476874442869947
Energy: 0.6488979099677998
Energy: 0.6373747916500272
Energy: 0.6642339574448912
Energy: 0.60923032625087
Energy: 0.62268811978578
Energy: 0.6241999556312249
Energy: 0.6107685172525507
Energy: 0.6341201742954484
Energy: 0.6159759178799703
Energy: 0.5947477497798023
Energy: 0.6102487289634106
Energy: 0.6113761507968444
Energy: 0.5785147557864958
Energy: 0.5483909185792726
Energy: 0.5604191341510798
Energy: 0.5613544549611191
Energy: 0.6084635273239266
Energy: 0.59260960220097
Energy: 0.5974149701544129
Energy: 0.5693014734526496
Energy: 0.5739627784448796
Energy: 0.568493829888343
Energy: 0.5698395359246267
Energy: 0.5832537566057909
Energy: 0.6117415446440122
Energy: 0.598412357196222
Energy: 0.5749267295456331
Energy: 0.569563916779746
Energy: 0.5916686391051059
Energy: 0.5910713684032374
Energy: 0.5858618601914357
Energy: 0.5917890015002129
Energy: 0.6083928181241475
Energy: 0.5790721474787882
Energy: 0.5660037282586016
Energy: 0.6074126739574264
Energy: 0.5978252080964925
Energy: 0.6166636316203495
Energy: 0.5984173859904526
Energy: 0.6062152062723662
Energy: 0.6008354315816047
Energy: 0.6113710257125357
Energy: 0.6210775050745592
Energy: 0.6164535594329615
Energy: 0.637258424259191
Energy: 0.5870560354126826
Energy: 0.5890978041948527
Energy: 0.5976955324539757
Energy: 0.5935402733116609
Energy: 0.5997132151974622
Energy: 0.600795622355808
Energy: 0.6113263682224972
Energy: 0.6850894751852615
Energy: 0.6710071347741066
Energy: 0.6260839226649741
Energy: 0.6515909627515014
Energy: 0.6416692790333312
Energy: 0.6458284559810754
Energy: 0.6523220538017716
Energy: 0.6148776631104015
Energy: 0.6356645401042685
Energy: 0.5735602991535732
Energy: 0.5715133519140801
Energy: 0.608334222025853
Energy: 0.6047404566942619
Energy: 0.587051868032164
Energy: 0.6301047958150875
Energy: 0.6091026172508073
Energy: 0.6084018540768358
Energy: 0.5915373617087143
Energy: 0.5999559524418018
Energy: 0.6156408250559333
Energy: 0.6215723443139349
Energy: 0.7234013185300481
Energy: 0.687103722179037
Energy: 0.6701708317035118
Energy: 0.6805055653662806
Energy: 0.70429884796505
Energy: 0.6657303045695857
Energy: 0.7177233396884757
Energy: 0.6773905256059238
Energy: 0.606405371761226
Energy: 0.6296776833504742
Energy: 0.6515972220606905
Energy: 0.6277533527385616
Energy: 0.6088768879564123
Energy: 0.6477757631224373
Energy: 0.6278061644243667
Energy: 0.6194698173902907
Energy: 0.6127799644578676
Energy: 0.6220673116914013
Energy: 0.6177387456053898
Energy: 0.598212125001391
Energy: 0.6063675276605908
Energy: 0.6015818111668616
Energy: 0.6185158462791299
Energy: 0.5506372200631894
Energy: 0.6284764042537844
Energy: 0.538008024413089
Energy: 0.5719041396547996
Energy: 0.5861959968647873

minimum gb energy = 0.538008024413089 eV
minimum distance =  2.23987282174556 Angstroms
sigma value = 39


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

Energy: 0.6511666716354455
Energy: 0.6953275811228029
Energy: 0.7283143117724319
Energy: 0.7501100914838231
Energy: 0.7087791639471142
Energy: 0.62522332939883
Energy: 0.6463066075840664
Energy: 0.5840734126659379
Energy: 0.5775047659006733
Energy: 0.6184240232788271
Energy: 0.5645727350593828
Energy: 0.5795054410025955
Energy: 0.5366586608659115
Energy: 0.5644461313646854
Energy: 0.5568646625559663
Energy: 0.5407417721444552
Energy: 0.5588192882612742
Energy: 0.5914374444710738
Energy: 0.5720787550404693
Energy: 0.5527130610332427
Energy: 0.5424123020113212
Energy: 0.6144627350722506
Energy: 0.5452088119326035
Energy: 0.6247295697827175
Energy: 0.5533675886397498
Energy: 0.5467865401086045
Energy: 0.5642570522132975
Energy: 0.6321858795244342
Energy: 0.5362507790047435
Energy: 0.5280835104401541
Energy: 0.5746569177981248
Energy: 0.5631830216760394
Energy: 0.5595549765045167
Energy: 0.5608555977828885
Energy: 0.5773919972166883
Energy: 0.5601713330767979
Energy: 0.5115571706641909
Energy: 0.5467526489104915
Energy: 0.5396002613053735
Energy: 0.5169659492506238
Energy: 0.5527236173150156
Energy: 0.5599404450612105
Energy: 0.5430214183671302
Energy: 0.5460770375080319
Energy: 0.5520792392422873
Energy: 0.5734753923016537
Energy: 0.5519891769017385
Energy: 0.5623824789532732
Energy: 0.5764319254275436
Energy: 0.5493993803150018
Energy: 0.5200668518711606
Energy: 0.58138661360361
Energy: 0.5382848025820797
Energy: 0.5533794162704065
Energy: 0.5300203671590267
Energy: 0.5394829280008058
Energy: 0.5487820489318921
Energy: 0.561057051636578
Energy: 0.5825320951953562
Energy: 0.585024880227843
Energy: 0.5959143489298402
Energy: 0.6527473129731262
Energy: 0.584740305082731
Energy: 0.5814559796773243
Energy: 0.6364622040108253
Energy: 0.5814484932741232
Energy: 0.5804458050553003
Energy: 0.5972855193561398
Energy: 0.6195116254357289
Energy: 0.6067049155174178
Energy: 0.5726689558289512
Energy: 0.5375476153258064
Energy: 0.5615600883902325
Energy: 0.5434381425396996
Energy: 0.5712862348863137
Energy: 0.5955975513879833
Energy: 0.5402193295296877
Energy: 0.5678627018568266
Energy: 0.5120307804369234
Energy: 0.606316273812251
Energy: 0.6005083346127429
Energy: 0.5718008575994685
Energy: 0.5990740995462235
Energy: 0.5787741990459842
Energy: 0.719319914170625
Energy: 0.6153019190016424
Energy: 0.6532269404268641
Energy: 0.6196780119994988
Energy: 0.6321402481803691
Energy: 0.5994562844633878
Energy: 0.6400673409058508
Energy: 0.57173208094685
Energy: 0.5393372217036999
Energy: 0.6254501926569757
Energy: 0.5908975181074033
Energy: 0.5703985921368755
Energy: 0.5527884975415442
Energy: 0.5421599346559973
Energy: 0.5282716477026463
Energy: 0.6965585167840961
Energy: 0.5476447310424274
Energy: 0.5332861564549731
Energy: 0.5834398757150645
Energy: 0.5916271410943151
Energy: 0.5133754915836393
Energy: 0.6508806060086371
Energy: 0.6138302835465118
Energy: 0.6909756405436874
Energy: 0.6257036829490421
Energy: 0.6261444635712355
Energy: 0.6548529909890273
Energy: 0.6466248883152464
Energy: 0.5879979854164306
Energy: 0.5780013188060832
Energy: 0.5466197950676256
Energy: 0.5646458361686807
Energy: 0.5672932120805046
Energy: 0.5437895686917861
Energy: 0.5641856889577554
Energy: 0.5565238800515571
Energy: 0.5413444236599885
Energy: 0.5588709811869476
Energy: 0.5923133558914261
Energy: 0.5717685248391225
Energy: 0.5529477719287876
Energy: 0.5425002527221031
Energy: 0.5891401058218377
Energy: 0.5452347843875343
Energy: 0.6246662855052516
Energy: 0.5538188054908392
Energy: 0.5458438707581994
Energy: 0.5647574627004182
Energy: 0.6320197476200919
Energy: 0.5344164901507859
Energy: 0.5280685667895503
Energy: 0.5746554920660278
Energy: 0.5605095974525869
Energy: 0.5601915143362478
Energy: 0.5595689713801305
Energy: 0.6235322822694173
Energy: 0.5610053087570984
Energy: 0.520952763182392
Energy: 0.5472415408016738
Energy: 0.5541416744195998
Energy: 0.5170040766282784
Energy: 0.5526847993903028
Energy: 0.559750970187803
Energy: 0.5433174218203292
Energy: 0.5253741216929672
Energy: 0.552391112745505
Energy: 0.5729698243449093
Energy: 0.5279892513077006
Energy: 0.5623751658127908
Energy: 0.5763509720597851
Energy: 0.5497830411846932
Energy: 0.5191624573950769
Energy: 0.5815707055926393
Energy: 0.5348441823976675
Energy: 0.5693698606043593
Energy: 0.529741832046026
Energy: 0.5417633757356861
Energy: 0.5539602688928635
Energy: 0.5747659903177034
Energy: 0.5823944655075424
Energy: 0.5848231428456757
Energy: 0.596151776075574
Energy: 0.5699860094605103
Energy: 0.5849452827216752
Energy: 0.5716135392269256
Energy: 0.6362664500282658
Energy: 0.5817941284569644
Energy: 0.5812484682144112
Energy: 0.5968408067439119
Energy: 0.6197016329609237
Energy: 0.6053136642429845
Energy: 0.5721766805142589
Energy: 0.552373053976873
Energy: 0.5615200197464527
Energy: 0.5397662383304455
Energy: 0.5705323658839779
Energy: 0.5741737635608576
Energy: 0.5367589554873413
Energy: 0.6088314809633669
Energy: 0.5175034094215191
Energy: 0.6061080775468723
Energy: 0.5975455943050788
Energy: 0.5727703648464049
Energy: 0.599556310011024
Energy: 0.5789174904516293
Energy: 0.7188709195139752
Energy: 0.6237814511727675
Energy: 0.6531173593270938
Energy: 0.6281901686866549
Energy: 0.6473228684575727
Energy: 0.6036509519390475
Energy: 0.6412636523250113
Energy: 0.5705897502686647
Energy: 0.5352175503436003
Energy: 0.6249470182419805
Energy: 0.5905663772849561
Energy: 0.5705068796612613
Energy: 0.5792889242142927
Energy: 0.542181534227507
Energy: 0.528803905771916
Energy: 0.694725313871976
Energy: 0.5469689972436448
Energy: 0.5407330470128525
Energy: 0.5796452891717195
Energy: 0.5935550785941649
Energy: 0.513557502231408

minimum gb energy = 0.5115571706641909 eV
minimum distance =  2.30362169086712 Angstroms
sigma value = 21


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

Energy: 0.8491441099683829
Energy: 0.6619808963721923
Energy: 0.7200647848332313
Energy: 0.6473194225183002
Energy: 0.5895823987460098
Energy: 0.7162032025515215
Energy: 0.6121927520648495
Energy: 0.5832883602056487
Energy: 0.5732107861527251
Energy: 0.5957475979798298
Energy: 0.652911917674887
Energy: 0.5963256762523444
Energy: 0.5798170479705372
Energy: 0.6393174058841631
Energy: 0.596335094879901
Energy: 0.5809036236451726
Energy: 0.5504635445448551
Energy: 0.5812488947937569
Energy: 0.5804651111690067
Energy: 0.5822494987685671
Energy: 0.602179695629738
Energy: 0.6760533670086398
Energy: 0.5768692074705872
Energy: 0.594298501560916
Energy: 0.5803880731426306
Energy: 0.5641205219395306
Energy: 0.6309882395492694
Energy: 0.5997962181287453
Energy: 0.5775958690405212
Energy: 0.5644848850479934
Energy: 0.6059114732454624
Energy: 0.5784426573188933
Energy: 0.5735868622394066
Energy: 0.5683491542964377
Energy: 0.5841063652387839
Energy: 0.5264905331135491
Energy: 0.5593252868554418
Energy: 0.5684635714084968
Energy: 0.5792925992347773
Energy: 0.5858144074370714
Energy: 0.5704337069322296
Energy: 0.574587480994909
Energy: 0.5680072353150867
Energy: 0.5545289533194968
Energy: 0.5362893946430864
Energy: 0.5611178021467258
Energy: 0.5780812552452743
Energy: 0.547184639570466
Energy: 0.5282001303145732
Energy: 0.5556449107291905
Energy: 0.55148151890141
Energy: 0.5567292243740891
Energy: 0.5705597057518988
Energy: 0.5546378553393313
Energy: 0.5657446956611677
Energy: 0.5454067028775822
Energy: 0.5178578747800613
Energy: 0.5242647865287081
Energy: 0.5633887945246252
Energy: 0.5358666983466833
Energy: 0.5283414852300868
Energy: 0.534760302131859
Energy: 0.5248885484013706
Energy: 0.5142023303316811
Energy: 0.5202694211541868
Energy: 0.5540262932528233
Energy: 0.5266041520592578
Energy: 0.513160512133422
Energy: 0.5252580816034649
Energy: 0.5440584877568155
Energy: 0.5587384267358073
Energy: 0.5294486596755156
Energy: 0.5249054133151432
Energy: 0.5816990541841478
Energy: 0.5347824220405278
Energy: 0.5246919802145332
Energy: 0.5761362919369986
Energy: 0.5399843289956233
Energy: 0.5572771924740402
Energy: 0.5735038338626745
Energy: 0.586670843496568
Energy: 0.5497472762305589
Energy: 0.5537925516024922
Energy: 0.5675179933984711
Energy: 0.5522964118453294
Energy: 0.5189849177616368
Energy: 0.5276436287097953
Energy: 0.5450598865188401
Energy: 0.6160144863317006
Energy: 0.5075074006847272
Energy: 0.5320687770340417
Energy: 0.5295990163624471
Energy: 0.5261943468288459
Energy: 0.5145284006897922
Energy: 0.5290084630656333
Energy: 0.5929522765303713
Energy: 0.5179962620118256
Energy: 0.5311776192737478
Energy: 0.6224161521227178
Energy: 0.5558198737084196
Energy: 0.5475530591966172
Energy: 0.5626151110795207
Energy: 0.5849837747590507
Energy: 0.5810386371955072
Energy: 0.5697484232216659
Energy: 0.6039576468936951
Energy: 0.5771125637479158
Energy: 0.5704099931578286
Energy: 0.5618938235756704
Energy: 0.5824003544248176
Energy: 0.5810889081924506
Energy: 0.5613900869543517
Energy: 0.5850296225751797
Energy: 0.5609083736949789
Energy: 0.5562037167972281
Energy: 0.5928615584379281
Energy: 0.5645427837558709
Energy: 0.5588159504019828
Energy: 0.5434751661200525
Energy: 0.5853425318066976
Energy: 0.5880868722944239
Energy: 0.5457027484218603
Energy: 0.5662809933342916
Energy: 0.6048483374951551
Energy: 0.5801256991604018
Energy: 0.570043695553242
Energy: 0.5903995473795561
Energy: 0.5616812318145494
Energy: 0.636227369298049
Energy: 0.5919302398793062
Energy: 0.6780202943594691
Energy: 0.5769190941956067
Energy: 0.5689846134480875
Energy: 0.5778981551844621
Energy: 0.5975785951521292
Energy: 0.5604560684604021
Energy: 0.5811905423789695
Energy: 0.5818232762602531
Energy: 0.5742258571321086
Energy: 0.6226103779388428
Energy: 0.6375186354798219
Energy: 0.6108930777346948
Energy: 0.6264068325507097
Energy: 0.626283011319826
Energy: 0.5980416861852309
Energy: 0.5834735480614157
Energy: 0.6591572362504531
Energy: 0.6446892438032087
Energy: 0.5719785052005462
Energy: 0.6513014646462895
Energy: 0.5868866907058586
Energy: 0.5676562659607515
Energy: 0.5664658588589883
Energy: 0.5982455835040476
Energy: 0.6241110082147723
Energy: 0.5643514357713948
Energy: 0.6085411990813604
Energy: 0.6343556485534415
Energy: 0.5682271123718664
Energy: 0.5523966757600968
Energy: 0.5965334216774149
Energy: 0.674756721371617
Energy: 0.6015613570263255
Energy: 0.5833687695279411
Energy: 0.5990595912998997
Energy: 0.6010956260110399
Energy: 0.5880754745438372
Energy: 0.651352658660462
Energy: 0.5943813540196272
Energy: 0.5969651675015117
Energy: 0.6070136590081804
Energy: 0.5789019502849146
Energy: 0.5700194340315011
Energy: 0.603522091872711
Energy: 0.5513171878911606

minimum gb energy = 0.5075074006847272 eV
minimum distance =  2.29168788340335 Angstroms
sigma value = 113


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

Energy: 0.9355845077061093
Energy: 0.6651395504642906
Energy: 0.7453468414675362
Energy: 0.5909953712931083
Energy: 0.5844890017896724
Energy: 0.5594739129159773
Energy: 0.6452042829534873
Energy: 0.6099724124344502
Energy: 0.584146707786882
Energy: 0.5755029478760836
Energy: 0.6135763837802648
Energy: 0.6303871846581007
Energy: 0.6298830153129713
Energy: 0.6292689895730706
Energy: 0.6116706498492037
Energy: 0.6264711985908078
Energy: 0.628130220737906
Energy: 0.593760052539059
Energy: 0.5923136940136967
Energy: 0.6058645570349891
Energy: 0.5554521178632645
Energy: 0.5934876387055593
Energy: 0.5899646966233548
Energy: 0.5359588513142216
Energy: 0.6891368614461747
Energy: 0.5867815897577935
Energy: 0.5854717574508991
Energy: 0.5634202220922997
Energy: 0.5774007413680562
Energy: 0.5622433475290957
Energy: 0.5691134209401191
Energy: 0.5581528165387393
Energy: 0.5819322063729266
Energy: 0.5717961954079023
Energy: 0.5945131046773316
Energy: 0.5300876721647302
Energy: 0.5860562050078614
Energy: 0.5703736744269436
Energy: 0.6195013950169991
Energy: 0.5930057878810181
Energy: 0.5793137604557387
Energy: 0.6103168438192945
Energy: 0.5476998070476887
Energy: 0.5856281981897145
Energy: 0.5787646057517604
Energy: 0.6214474487582721
Energy: 0.5370768856049659
Energy: 0.5472936401170222
Energy: 0.5733733401259734
Energy: 0.5703462726464704
Energy: 0.5572863969704914
Energy: 0.5917779271563828
Energy: 0.5804677985797281
Energy: 0.5328012155528786
Energy: 0.5781020058410096
Energy: 0.5412272012203511
Energy: 0.560780086934451
Energy: 0.5491093331714406
Energy: 0.572437357852979
Energy: 0.5816904262330134
Energy: 0.5811088361200796
Energy: 0.5691840377699274
Energy: 0.554872937657634
Energy: 0.5273395922422988
Energy: 0.5572323447539338
Energy: 0.5253413122001732
Energy: 0.5338361314471192
Energy: 0.5404902860858514
Energy: 0.5387491222656866
Energy: 0.6020314432209957
Energy: 0.5483202465028734
Energy: 0.6016765064107117
Energy: 0.5575119893488628
Energy: 0.5211910641104595
Energy: 0.5963765948799327
Energy: 0.5330582175027706
Energy: 0.5997735933666636
Energy: 0.5333304081585716
Energy: 0.5686691576537136
Energy: 0.5498143739786518
Energy: 0.5671434158329482
Energy: 0.5500599149295459
Energy: 0.557425792864296
Energy: 0.5470686613712012
Energy: 0.5624686566661057
Energy: 0.534677977698408
Energy: 0.5365532223571244
Energy: 0.5451859390695155
Energy: 0.5317162739927052
Energy: 0.5401452552266344
Energy: 0.5084091540511847
Energy: 0.570190286347068
Energy: 0.6006429454453194
Energy: 0.5672379359695767
Energy: 0.6036182587270659
Energy: 0.6347219780432988
Energy: 0.5742012467196433
Energy: 0.49015724934249066
Energy: 0.5479655258230599
Energy: 0.5333892459552964
Energy: 0.5114598414655944
Energy: 0.47396814182225
Energy: 0.5323954428338775
Energy: 0.5545818490725097
Energy: 0.5131728461148041
Energy: 0.5108906911867729
Energy: 0.5280964899206778
Energy: 0.543556712566639
Energy: 0.5231912432339857
Energy: 0.5335522867949722
Energy: 0.5522997354184689
Energy: 0.5509034810249094
Energy: 0.5171987754352375
Energy: 0.5128589525969195
Energy: 0.5591358870753194
Energy: 0.49693793317156265
Energy: 0.5356804594514432
Energy: 0.5238687571830589
Energy: 0.5293327445499011
Energy: 0.4812092004066788
Energy: 0.5041712510946286
Energy: 0.5138673504538833
Energy: 0.47925354904950784
Energy: 0.496208996753093
Energy: 0.5206354393978647
Energy: 0.5267014464017028
Energy: 0.543568996123044
Energy: 0.544859355463757
Energy: 0.5186170765362387
Energy: 0.5473945065126837
Energy: 0.5462745340594676
Energy: 0.5536079234296563
Energy: 0.5630140055116741
Energy: 0.48009518583065425
Energy: 0.4855917577006804
Energy: 0.5470826083535894
Energy: 0.48940563592275277
Energy: 0.4945820433887934
Energy: 0.5050448376524806
Energy: 0.529740772131491
Energy: 0.5065790619321102
Energy: 0.48470627311147
Energy: 0.5027146190113466
Energy: 0.532687313130716
Energy: 0.5641366779008089
Energy: 0.48556941583814234
Energy: 0.5095380437016841
Energy: 0.5032468070163028
Energy: 0.5098198054018678
Energy: 0.5402092619738029
Energy: 0.5575943619097428
Energy: 0.5111335914580314
Energy: 0.5502753501995377
Energy: 0.5153042656582345
Energy: 0.5309804620979245
Energy: 0.4967272762926549
Energy: 0.4884970049176016
Energy: 0.4939072871167721
Energy: 0.4821892672084361
Energy: 0.4766350605394793
Energy: 0.4829749708250507
Energy: 0.5470741837274617
Energy: 0.5668120712783401
Energy: 0.5499481353233074
Energy: 0.5549896423543151
Energy: 0.5540670198780555
Energy: 0.5412607633546681
Energy: 0.5621084512818114
Energy: 0.5129285587168159
Energy: 0.5201263356071356
Energy: 0.5049641014980369
Energy: 0.5162474094622255
Energy: 0.5207747054007641
Energy: 0.5048971411009903
Energy: 0.4837163648088055
Energy: 0.5227564276867843
Energy: 0.4832390769719102
Energy: 0.5010752473387396
Energy: 0.4959975617759219
Energy: 0.49978626949801347
Energy: 0.5175216808628171
Energy: 0.4991632914428557
Energy: 0.5213700822922053
Energy: 0.5349508715374146
Energy: 0.512729644028664
Energy: 0.5318649231826373
Energy: 0.5459869832407208
Energy: 0.5286076696426106
Energy: 0.5223076678861222
Energy: 0.49886417250020926
Energy: 0.5416999059445
Energy: 0.534248148052973
Energy: 0.5054577605914872
Energy: 0.5059226705551783
Energy: 0.5319525288971452
Energy: 0.567059927103161
Energy: 0.5062870015269799
Energy: 0.5781901820017141
Energy: 0.5676401790159179
Energy: 0.5706231520707834
Energy: 0.5550679556364266
Energy: 0.5039741824006561
Energy: 0.5916777255754765
Energy: 0.5118390706585106
Energy: 0.5242143732095037
Energy: 0.5533678968655462
Energy: 0.5186028130919018
Energy: 0.5422738165911859
Energy: 0.5527891485181325
Energy: 0.5404324625368992
Energy: 0.5399881512037554
Energy: 0.5242581819014563
Energy: 0.5731366585561568
Energy: 0.5613395771175074
Energy: 0.5431765767211127
Energy: 0.5529721744588998
Energy: 0.5461982493609253
Energy: 0.573716733847577
Energy: 0.569813238982021
Energy: 0.538151142994158
Energy: 0.6074250625851361
Energy: 0.49711296893304496
Energy: 0.5580460025999021
Energy: 0.5562442705860632
Energy: 0.5646953617015547
Energy: 0.5427461930893243
Energy: 0.5675077065348151
Energy: 0.5394077500221351
Energy: 0.5167902960484498
Energy: 0.5492019150695359
Energy: 0.5178040793079988
Energy: 0.5695589304894185
Energy: 0.5521046113422373
Energy: 0.5856244911852163
Energy: 0.5850936396514211
Energy: 0.5544602727948293
Energy: 0.578565021675806
Energy: 0.5689906708968436
Energy: 0.5531600381149477
Energy: 0.5854259750393703
Energy: 0.5475610269628696
Energy: 0.5502864482402737
Energy: 0.5623546443176329
Energy: 0.5219327577052755
Energy: 0.5886220611411822
Energy: 0.5359991577187202
Energy: 0.5563349288681301
Energy: 0.556572684272339
Energy: 0.5357167452008884
Energy: 0.5648593839525838
Energy: 0.5608570815847556
Energy: 0.5757239440908224
Energy: 0.6138935485978977
Energy: 0.5705142513670772
Energy: 0.5924186524018118
Energy: 0.6272987235059168
Energy: 0.6063832022157737
Energy: 0.5878391768694448
Energy: 0.5985533932731085
Energy: 0.5873207287328903
Energy: 0.5670541040208709
Energy: 0.5689716740472964
Energy: 0.5970701715862596
Energy: 0.5687662387375348
Energy: 0.5817507854552525
Energy: 0.560033689632128
Energy: 0.5490302651319796
Energy: 0.6017114720344411
Energy: 0.6036984579532692
Energy: 0.533888641302715
Energy: 0.5597713243311028
Energy: 0.6078483986944907
Energy: 0.6199589151511653
Energy: 0.5355354875588393
Energy: 0.5879572525674936
Energy: 0.5886606108934712
Energy: 0.5879586366649133
Energy: 0.6205346515538978
Energy: 0.5583699593334734
Energy: 0.586831781629664
Energy: 0.6069545851141427
Energy: 0.6005237920353084
Energy: 0.5937025979294207
Energy: 0.6227098827264225
Energy: 0.5968751835761181
Energy: 0.6180905911771185
Energy: 0.6244279273967918
Energy: 0.5863907929904084
Energy: 0.5775371230792363
Energy: 0.6763805720465179
Energy: 0.6093412418435465
Energy: 0.7343026198549281
Energy: 0.5542252787236518
Energy: 0.6035461376732661
Energy: 0.6184072306234413
Energy: 0.6104379977156601
Energy: 0.6118837299629473
Energy: 0.6225343599723947
Energy: 0.6204207790625677
Energy: 0.632527237986633
Energy: 0.6207073961091241
Energy: 0.550780102739954
Energy: 0.6031257628736993
Energy: 0.5813957188994978
Energy: 0.6480447270115467
Energy: 0.6227485586106837
Energy: 0.6162788491006082
Energy: 0.6320614896425341
Energy: 0.5803612051341218
Energy: 0.6066409062106843
Energy: 0.5723109433827865
Energy: 0.5475520844642234
Energy: 0.5458676561497173
Energy: 0.5932672072890807
Energy: 0.5493382513254291

minimum gb energy = 0.47396814182225 eV
minimum distance =  2.24952543367979 Angstroms
sigma value = 365


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

Energy: 0.5049861032354317
Energy: 0.3838310093403342
Energy: 0.5008458229679582
Energy: 0.540926115383518
Energy: 0.5410043874114848
Energy: 0.5403897675362718
Energy: 0.4996251078511443
Energy: 0.4403902516780328
Energy: 0.3749145684034913
Energy: 0.4339170669864312
Energy: 0.4548779525134821
Energy: 0.5589257459444025
Energy: 0.4574964577187747
Energy: 0.4178886628442082
Energy: 0.35157905024503855
Energy: 0.39479403772376326
Energy: 0.6567763701238327
Energy: 0.5821415646046594
Energy: 0.4289871596804831
Energy: 0.58240167280673
Energy: 0.41998727633559746
Energy: 0.47802252721265087
Energy: 0.47640969246086723
Energy: 0.49964258349853563
Energy: 0.5006030648883415
Energy: 0.5230869988811885
Energy: 0.4521619789395047
Energy: 0.4897421763090411
Energy: 0.47780216523284885
Energy: 0.45312880949210793
Energy: 0.461526385215279
Energy: 0.5348388986300503
Energy: 0.49973706811593227
Energy: 0.45156479161117263
Energy: 0.44229265946566404
Energy: 0.4621278423413586
Energy: 0.4282497432519508
Energy: 0.7831752969317176
Energy: 0.780674988753389
Energy: 0.7803202454590544
Energy: 0.7819062870201643
Energy: 0.4590905681315998
Energy: 0.4787290246508974
Energy: 0.45299540916107206
Energy: 0.49998013877270214
Energy: 0.5125469555054942
Energy: 0.5126194680728692
Energy: 0.5130550881530068
Energy: 0.4533112526153589
Energy: 0.4780640889654135
Energy: 0.4527218440366268
Energy: 0.513020696661671
Energy: 0.5127644627178053
Energy: 0.5126822257362319
Energy: 0.512992357387043
Energy: 0.45208716891046996
Energy: 0.468579816231781
Energy: 0.43664448332229605
Energy: 0.7828099737810038
Energy: 0.7802763026059739
Energy: 0.7801347951495073
Energy: 0.7813296383228431
Energy: 0.4290887900588332
Energy: 0.47821349644291783
Energy: 0.440137896410512
Energy: 0.42773098855408104
Energy: 0.45275517363522644
Energy: 0.5252463528040641
Energy: 0.5340483198057476
Energy: 0.45399875046897203
Energy: 0.5028691581547882
Energy: 0.49626524213638484
Energy: 0.49050540961954064
Energy: 0.48999119603545976
Energy: 0.45115580546614975
Energy: 0.45095438072063176
Energy: 0.4903316813624272
Energy: 0.40334213849628714
Energy: 0.4150071093480007
Energy: 0.6518874858444921
Energy: 0.396607944673803
Energy: 0.44192815294725823
Energy: 0.4839880658761285
Energy: 0.4739248390635894
Energy: 0.36073678544088705
Energy: 0.392205545850283
Energy: 0.48399890031883697
Energy: 0.4444241024403521
Energy: 0.4498370518704411
Energy: 0.4505825188626246
Energy: 0.41761313217553897
Energy: 0.501701850257246
Energy: 0.4544214525863924
Energy: 0.4899151105006289
Energy: 0.4897276392000263
Energy: 0.4898432389308095
Energy: 0.48970580666421826
Energy: 0.4898379963742429
Energy: 0.45023608120306075
Energy: 0.43899072971924735
Energy: 0.453040091326424
Energy: 0.382170361410376
Energy: 0.5586403220868966
Energy: 0.4521351697870791
Energy: 0.4202152582609943
Energy: 0.353942466014258
Energy: 0.4298321099909828
Energy: 0.7836567536311041
Energy: 0.5831330613648998
Energy: 0.4295810563630769
Energy: 0.781649948566747
Energy: 0.4379126748464543
Energy: 0.4775919385158971
Energy: 0.4748048964433778
Energy: 0.49966659004545333
Energy: 0.5129243748831032
Energy: 0.5130454538831868
Energy: 0.5054001550159373
Energy: 0.45047214226254
Energy: 0.4579716032360338
Energy: 0.4524614902533413
Energy: 0.46005694399447683
Energy: 0.5131663628757391
Energy: 0.5139477099509301
Energy: 0.4511567020013239
Energy: 0.45268463221152905
Energy: 0.409538227054393
Energy: 0.39356540730539286
Energy: 0.7845444172959611
Energy: 0.7822078742723914
Energy: 0.7815814315152108
Energy: 0.7817402375993652
Energy: 0.4549515402798579
Energy: 0.47835771339095645
Energy: 0.4473121695149738
Energy: 0.4525061042611117
Energy: 0.5127145066922676
Energy: 0.5123814087461119
Energy: 0.5130273742638511
Energy: 0.453279261133537

minimum gb energy = 0.35157905024503855 eV
minimum distance =  2.32610665986061 Angstroms
sigma value = 23