Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667934
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.011713306909108868
Energy: 0.012460014481327107
Energy: 0.061516334952497816
Energy: 0.061469667498071576
Energy: 0.012290908266546836
Energy: 0.01262790400922341
Energy: 0.06203947247336814
Energy: 0.06159385782586765
Energy: 0.06149212602962995
Energy: 0.01225187223752327
Energy: 0.01253577594761586
Energy: 0.23956077013519625
Energy: 0.06235210350893896
Energy: 0.06129967086942699
Energy: 0.061403266305292414
Energy: 0.061726317909952255
Energy: 0.06115637623750935
Energy: 0.062194782354141116
Energy: 0.06137198588957625
Energy: 0.06156283031959297
Energy: 0.061460434794215243
Energy: 0.012292289659648261
Energy: 0.01203117884741954
Energy: 0.062244882100727185
Energy: 0.06148431773032848
Energy: 0.06147742112266624
Energy: 0.012201691369964846
Energy: 0.012024941408601823
Energy: 0.061724433360747115
Energy: 0.061523524927947666
Energy: 0.06140196125131948
Energy: 0.012307720877887554
Energy: 0.0122518052913155
Energy: 0.06135143130364772
Energy: 0.06154580526870408
Energy: 0.06136262270861846
Energy: 0.01217614948443465
Energy: 0.01213028736738831
Energy: 0.24084274816684423
Energy: 0.06150343433248329
Energy: 0.06149070417356352
Energy: 0.06141773913045957
Energy: 0.061401858952953914
Energy: 0.012058984478935499
Energy: 0.012157152452153179
Energy: 0.061390105622070965
Energy: 0.06155619149323157
Energy: 0.06147477839341768
Energy: 0.012203776457697886
Energy: 0.2395970871558619
Energy: 0.06142123371156163
Energy: 0.06129655730297255
Energy: 0.06196846958477213
Energy: 0.01214810244974145
Energy: 0.01227953264005048
Energy: 0.06125773160823666
Energy: 0.06127893065728489
Energy: 0.062461406554980635
Energy: 0.01221565016410602
Energy: 0.012392992657438946
Energy: 0.012565219404298828
Energy: 0.06121807225650939
Energy: 0.0614403410015997
Energy: 0.0631791953940975
Energy: 0.06134498769957222
Energy: 0.012479402213189283
Energy: 0.061280315166733455
Energy: 0.06141457723743818
Energy: 0.06191462564753733
Energy: 0.061435112474259174

minimum gb energy = 0.011713306909108868 eV
minimum distance =  2.82507602076526 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.7368277185802999
Energy: 0.6606743592086127
Energy: 0.6309565561436592
Energy: 0.6365093968424772
Energy: 0.6984052235997961
Energy: 0.6356791604893415
Energy: 0.6991437692908032
Energy: 0.6307597526801748
Energy: 0.6306095388831476
Energy: 0.6595732610184394
Energy: 0.5576516328381131
Energy: 0.6723593629719581
Energy: 0.6758946844535417
Energy: 0.5776156868037373
Energy: 0.49713145735458464
Energy: 0.496485700382501
Energy: 0.6631997986871034
Energy: 0.6350679404278671
Energy: 0.6118910863030385
Energy: 0.6199991838135697
Energy: 0.6072437448310565
Energy: 0.6702029075490306
Energy: 0.559040877069932
Energy: 0.4967287179321525
Energy: 0.49712029340917113
Energy: 0.4971891330595309
Energy: 0.6666592686277634
Energy: 0.5595351143694378
Energy: 0.607260357026073
Energy: 0.6100526340567632
Energy: 0.6115566360023096
Energy: 0.6460584916253429
Energy: 0.5506060899821393
Energy: 0.49682931473320097
Energy: 0.4971866106636099
Energy: 0.49663714338075005
Energy: 0.682381220356642
Energy: 0.5566892814523792
Energy: 0.6107747275939555
Energy: 0.6082653490640879
Energy: 0.6401805946792367
Energy: 0.6246172457219143
Energy: 0.6711706674533207
Energy: 0.5523019196720681
Energy: 0.5588858337464323
Energy: 0.49928370677688577
Energy: 0.626606594266707
Energy: 0.7081993591607253
Energy: 0.5564425849012349
Energy: 0.5603546238680197
Energy: 0.6621320407591464
Energy: 0.7397659243342121
Energy: 0.5594968396823075
Energy: 0.5574691795194707
Energy: 0.6668573801792526
Energy: 0.6336835466608826
Energy: 0.7438326801685491
Energy: 0.5596908943732192
Energy: 0.5522298755856978
Energy: 0.6667991447518902
Energy: 0.6430649636295247
Energy: 0.638406765081286
Energy: 0.5667042838771811
Energy: 0.566068325939353
Energy: 0.5678930609810127
Energy: 0.6528158239156758
Energy: 0.7049205542307505
Energy: 0.6269877868571245
Energy: 0.6370391905990738
Energy: 0.6877321111799138
Energy: 0.6256511158589506
Energy: 0.6933190007334743
Energy: 0.5915392565853335
Energy: 0.5900427961433763
Energy: 0.6908601035042378
Energy: 0.6314501220503342
Energy: 0.696270562894116
Energy: 0.6898843918080494
Energy: 0.5894030820791775
Energy: 0.6266064084913965
Energy: 0.6320374274223645
Energy: 0.565145736805166
Energy: 0.5655995742348414
Energy: 0.5539554038111797
Energy: 0.68209306970202
Energy: 0.6579869731300546
Energy: 0.568620185464586
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Energy: 0.7005603629286332
Energy: 0.6784763088604494
Energy: 0.5626910977078184
Energy: 0.5610094183513732
Energy: 0.5598329736512279
Energy: 0.5556964967892116
Energy: 0.6832715738790069
Energy: 0.49897307422971193
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Energy: 0.5562675236627973
Energy: 0.6821715880571438
Energy: 0.5879387271712312
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Energy: 0.611156409380216
Energy: 0.5591693341528468
Energy: 0.7135752837015114
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Energy: 0.6137566749274802
Energy: 0.499379699212026
Energy: 0.5004220636484892
Energy: 0.7088350521731039
Energy: 0.7118400654489275
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Energy: 0.6094986645201632
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Energy: 0.7448432315715848
Energy: 0.6361561245060655
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Energy: 0.6161537870523996
Energy: 0.7403229231389155
Energy: 0.6915062517736698
Energy: 0.6242454052294535
Energy: 0.6240374917157031
Energy: 0.6858436917027445
Energy: 0.6856917819148616
Energy: 0.6438813455714886
Energy: 0.49749818252960754
Energy: 0.49961711748597626
Energy: 0.649927211082788
Energy: 0.7008627542682082
Energy: 0.6475848361363812
Energy: 0.7374545783168016
Energy: 0.661401166691452
Energy: 0.6324552764017887
Energy: 0.6364289624217786
Energy: 0.698065346942023
Energy: 0.6365276435982367
Energy: 0.6982631839101509
Energy: 0.6291361641527935
Energy: 0.6420367425017071
Energy: 0.6606769940080363
Energy: 0.546599355747216
Energy: 0.6706801831481699
Energy: 0.6748256554409022
Energy: 0.6411376185042029
Energy: 0.4975919331158101
Energy: 0.4963447413528413
Energy: 0.6868641725599884
Energy: 0.640597889862634
Energy: 0.6132929215387898
Energy: 0.6218023155900049
Energy: 0.6076652211841014
Energy: 0.6693352226387224
Energy: 0.5590316604778759
Energy: 0.49736408517883307
Energy: 0.49669553293027874
Energy: 0.4968119886435381
Energy: 0.6695647896035898
Energy: 0.5601270441729755
Energy: 0.5526464393935306
Energy: 0.615766115486398
Energy: 0.6112179350003384
Energy: 0.561619093289747
Energy: 0.5522306624977704
Energy: 0.4964548667516029
Energy: 0.532327759662791
Energy: 0.49629688300957797
Energy: 0.5616647210366498
Energy: 0.5556265723860199
Energy: 0.6107580290038039
Energy: 0.5320053749144197
Energy: 0.6218801923374179
Energy: 0.6463611912898107
Energy: 0.6693367463894194
Energy: 0.5573882037574474
Energy: 0.4981460016009353
Energy: 0.5610019934358271
Energy: 0.646185170208944
Energy: 0.7096849108274307
Energy: 0.5562563336501841
Energy: 0.5609216006876883
Energy: 0.6896520892726189
Energy: 0.7390274561065993
Energy: 0.5585657031688656
Energy: 0.5513770840175206
Energy: 0.6662927535626331
Energy: 0.6348023917406487
Energy: 0.7417558557362691
Energy: 0.5592891776950073
Energy: 0.6035951526361393
Energy: 0.665946646010702
Energy: 0.6518131287317658
Energy: 0.6601602497445541
Energy: 0.6265019002309689
Energy: 0.6369060453625273
Energy: 0.6490308356158677
Energy: 0.6509498128170301
Energy: 0.6674213756424666
Energy: 0.6257096446515596
Energy: 0.6368013062813055
Energy: 0.6846760268218184
Energy: 0.628914008644509
Energy: 0.6951746582357079
Energy: 0.7155904484837662
Energy: 0.5952518822009033
Energy: 0.6909628466235441
Energy: 0.6324279455412801
Energy: 0.6959934518737543
Energy: 0.7040656967091284
Energy: 0.5824669700135461
Energy: 0.6285496721492073
Energy: 0.6469844932948798
Energy: 0.5658467394931933
Energy: 0.5335534784734433
Energy: 0.6170152974724209
Energy: 0.6779121662274467
Energy: 0.6476153227192004
Energy: 0.5662380829696375
Energy: 0.5333173306661806
Energy: 0.5967458382081575
Energy: 0.6757952706511045
Energy: 0.6125837730373057
Energy: 0.5597028162309998
Energy: 0.5606272500613041
Energy: 0.558277959732532
Energy: 0.5513837905670472
Energy: 0.5928066469985527
Energy: 0.5646225854255765
Energy: 0.5620842061770878
Energy: 0.6202783780999492
Energy: 0.5525463198816772
Energy: 0.5862467760091982
Energy: 0.5603776819727329
Energy: 0.5537262337283193
Energy: 0.5564673575244098
Energy: 0.5570384117633085
Energy: 0.56025020386584
Energy: 0.5581921670945458
Energy: 0.5563982781088387
Energy: 0.5539949734248041
Energy: 0.5573092137676499
Energy: 0.7150177264752711
Energy: 0.612669831869336
Energy: 0.55843977359811
Energy: 0.7171203888313253
Energy: 0.6829768244236774
Energy: 0.6155593606671471
Energy: 0.4990155016895315
Energy: 0.5587218546033148
Energy: 0.6591592771095162
Energy: 0.7125234753924389
Energy: 0.6075045769093924
Energy: 0.6034482235258966
Energy: 0.6662484144834386
Energy: 0.7435757981314577
Energy: 0.6346954362245697
Energy: 0.5033197643981829
Energy: 0.7476851730032983
Energy: 0.6164367688070336
Energy: 0.739355699808822
Energy: 0.6364192243591668
Energy: 0.6143182164885771
Energy: 0.6181025767053605
Energy: 0.6881530997645413
Energy: 0.6888732293526404
Energy: 0.6514587526930112
Energy: 0.5027304636078946
Energy: 0.4994138512428268
Energy: 0.6568587271968475
Energy: 0.7057421914265419
Energy: 0.6465905126110845
Energy: 0.7403348236433976
Energy: 0.5707644824822654
Energy: 0.6367098582022125
Energy: 0.6320314593587114
Energy: 0.6976322453259649
Energy: 0.6381166115737743
Energy: 0.49968676899957143
Energy: 0.6346537422703834
Energy: 0.6408369330691659
Energy: 0.6602742016991661

minimum gb energy = 0.49629688300957797 eV
minimum distance =  2.48093140960715 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.0167805213616572
Energy: 0.5648470425505722
Energy: 0.5941550702725906
Energy: 0.6020953494059785
Energy: 0.7101286281036409
Energy: 0.916314917688617
Energy: 0.59844340312364
Energy: 0.5962767439769449
Energy: 0.7306910703902499
Energy: 0.702532890214849
Energy: 0.5740532850775235
Energy: 0.5931590708241031
Energy: 0.5984905543124759
Energy: 0.602581001722313
Energy: 0.5662352119615839
Energy: 0.5652017063890612
Energy: 0.5562833973262407
Energy: 0.6030251023048001
Energy: 0.6107015902665495
Energy: 0.5989656343413527
Energy: 0.6559139000290892
Energy: 0.7664904885485453
Energy: 0.7674608269673132
Energy: 0.6002412931156835
Energy: 0.5971105958747984
Energy: 0.554633140104219
Energy: 0.7690628421769123
Energy: 0.7712935392947977
Energy: 0.5852750596733782
Energy: 0.5958626417709935
Energy: 0.5834955745083815
Energy: 0.6176667348344976
Energy: 0.571174243652842
Energy: 0.574625606199836
Energy: 0.5933502721922539
Energy: 0.5548117797307207
Energy: 0.6016466204756694
Energy: 0.5612821110874142
Energy: 0.5938395567944695
Energy: 0.5932913389940323
Energy: 0.5884342449135525
Energy: 0.5614002896863283
Energy: 0.6001716673769811
Energy: 0.6064491439303793
Energy: 0.5596394139956735
Energy: 0.5798880444498635
Energy: 0.5579182494909781
Energy: 0.6080107199036205
Energy: 0.6182413524205137
Energy: 0.6049944858230559
Energy: 0.5903367017242892
Energy: 0.7468973119397654
Energy: 0.6011406796793755
Energy: 0.6130612573218674
Energy: 0.6116023831612604
Energy: 0.5846096986010844
Energy: 0.8198297542992634
Energy: 0.607886745217541
Energy: 0.6070042533781991
Energy: 0.6103219222489438
Energy: 0.579225765109576
Energy: 0.6000286282124472
Energy: 0.573234605682037
Energy: 0.567833279265826
Energy: 0.6194876417325326
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Energy: 0.619026098679727
Energy: 0.7133868163466013
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Energy: 0.5954095923767126
Energy: 0.5945300782822702
Energy: 0.5916201840680257
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Energy: 0.7670437121210316
Energy: 0.5804616762048782
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Energy: 0.5810981710081002
Energy: 0.7673360418241575
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Energy: 0.570528613801755
Energy: 0.5944423796528784
Energy: 0.5685475002455093
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Energy: 0.573970165508878
Energy: 0.6177491355747432
Energy: 0.594202725832237
Energy: 0.5695296541467593
Energy: 0.5787332766353368
Energy: 0.6139426679709816
Energy: 0.607689717140497
Energy: 0.6113801856490667
Energy: 0.5581315465546555
Energy: 0.5515147633574436
Energy: 0.5858482233756483
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Energy: 0.6029783397720917
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Energy: 0.6171688643896076
Energy: 0.6198440752687945
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Energy: 0.5663445616125498
Energy: 0.7398054932475098
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Energy: 0.6117092349044594
Energy: 0.6162052654892644
Energy: 0.5728875023799448
Energy: 0.7537016746773841
Energy: 0.6032278793167523
Energy: 0.6120200117037116
Energy: 0.6124269489665634
Energy: 0.5772356725161376
Energy: 0.6106971039270827
Energy: 0.7112080595630902
Energy: 0.5992820820805282
Energy: 0.5757729509454214
Energy: 0.5797324407600651
Energy: 0.6132885949977341
Energy: 0.5623729714144374
Energy: 0.6148596798076971
Energy: 0.535130764970976
Energy: 0.5924206770988792
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Energy: 0.7662035613036198
Energy: 0.6086890201406865
Energy: 0.5540873640999235
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Energy: 0.63758178272744
Energy: 0.7655716119020534
Energy: 0.5948404622740239
Energy: 0.6230771427710943
Energy: 0.5725983909528336
Energy: 0.5547898895921849
Energy: 0.611825701205384
Energy: 0.6223997751796526
Energy: 0.6041267195733465
Energy: 0.5601321781128413
Energy: 0.5821549464885046
Energy: 0.5647240785503207
Energy: 0.6148421672374887
Energy: 0.7793112502290941
Energy: 0.7265342972548787
Energy: 0.5814222988177872
Energy: 0.5790421973162556
Energy: 0.6137681314673236
Energy: 0.7906537780670384
Energy: 0.7378136284886625
Energy: 0.5406752539716907
Energy: 0.5540736082498523
Energy: 0.6075069007086141
Energy: 0.6166573225987785
Energy: 0.6171985846107613
Energy: 0.5782308192402011
Energy: 0.5795145906294698
Energy: 0.6025330272908007
Energy: 0.6096615073707596
Energy: 0.5538149207604611
Energy: 0.5397829705383925
Energy: 0.7037656498849983
Energy: 0.5710966918238749
Energy: 0.6252074256679065
Energy: 0.5627707694093972
Energy: 0.604434717607213
Energy: 0.5540411412677021
Energy: 0.5849388555574968
Energy: 0.6134542879308114
Energy: 0.5609808594310253
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Energy: 0.5574641178919575
Energy: 0.597694062277377
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Energy: 0.5907786723122591
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Energy: 0.6070452090767263
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Energy: 0.5956280010664645
Energy: 0.7672371945248719
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Energy: 0.566792037430365
Energy: 0.626298273648067
Energy: 0.5624804289228759
Energy: 0.558261562184085
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minimum gb energy = 0.520393933237663 eV
minimum distance =  2.51230167949183 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6076555592235828
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Energy: 0.6561385986787557
Energy: 0.6315252015381493
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Energy: 0.6356478251407092
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Energy: 0.7008538875591186
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Energy: 0.6998894890934022
Energy: 0.6067719117277653
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Energy: 0.6304599094087509
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Energy: 0.6203826410018972
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Energy: 0.58124149074574
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Energy: 0.6249095587957778
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Energy: 0.5752494064863041
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Energy: 0.5795931185766772
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Energy: 0.582707948480765
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Energy: 0.6849747207455329
Energy: 0.6239429662607966
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Energy: 0.6355714459654018
Energy: 0.6908042900505003
Energy: 0.6231313174419749
Energy: 0.5857826652568793
Energy: 0.6873746886656827
Energy: 0.63599822887408
Energy: 0.6273348500617635
Energy: 0.624583650632465
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Energy: 0.6231947452525514
Energy: 0.6353907136015886
Energy: 0.5738470452967545
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Energy: 0.6379109309975955
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Energy: 0.5631171585388155
Energy: 0.6351743436591597
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Energy: 0.6071067852501543
Energy: 0.6101205760667653
Energy: 0.6599939774847026
Energy: 0.6601628152430216
Energy: 0.6433847605141694
Energy: 0.6944272062395028
Energy: 0.9295276950886433
Energy: 0.6378221242508565
Energy: 0.6579364660276801
Energy: 0.6376810200714621
Energy: 0.6940709147147155
Energy: 0.6628809084456009
Energy: 0.6390648696424404
Energy: 0.6525383724970231
Energy: 0.6356743573772522
Energy: 0.6348068033190887
Energy: 0.6640177073021285
Energy: 0.6363049678848497
Energy: 0.5970667189144303
Energy: 0.6573385227847433
Energy: 0.6354830968261631
Energy: 0.6366620003845426
Energy: 0.6307733282649128
Energy: 0.6392315123772105
Energy: 0.6411164053820704
Energy: 0.6337466493824553
Energy: 0.6382009515050188
Energy: 0.6252501193327802
Energy: 0.6255106050671806
Energy: 0.6377699002577087
Energy: 0.5994884785024955
Energy: 0.6625966699700925
Energy: 0.5876959837876059
Energy: 0.6382372758187173
Energy: 0.6376063260011333
Energy: 0.6221929619214208
Energy: 0.663400634602365
Energy: 0.6398754441650412
Energy: 0.6356242457136084
Energy: 0.6356164963718951
Energy: 0.5986111321586205
Energy: 0.6852834384876721
Energy: 0.6115219839217274
Energy: 0.6409515458387234
Energy: 0.6395783245291875
Energy: 0.600370256665515
Energy: 0.658781449910518
Energy: 0.6109334387557326
Energy: 0.6408128308252423
Energy: 0.6410965825376893
Energy: 0.6055529793431524
Energy: 0.6779554721384252
Energy: 0.635450755974315
Energy: 0.6828255806693162
Energy: 0.7368630663104413
Energy: 0.6896300529037372
Energy: 0.5981570907777656
Energy: 0.7058667319190713
Energy: 0.6774088974340043
Energy: 0.7356328862692516
Energy: 0.7061835057927683
Energy: 0.6370046976765493
Energy: 0.620658672390693
Energy: 0.620975524317606
Energy: 0.6197777310147538
Energy: 0.6090526322468999
Energy: 0.610002224029382
Energy: 0.6132796944059538
Energy: 0.606405112914748
Energy: 0.6411112851156012
Energy: 0.6406567649586374
Energy: 0.599097597183829
Energy: 0.6068054053894192
Energy: 0.6031868719215316
Energy: 0.6034240226854283
Energy: 0.6135897601447128
Energy: 0.6108207121098305
Energy: 0.6124662472432884
Energy: 0.5969429759099076
Energy: 0.5991209641658952
Energy: 0.6470826563717211

minimum gb energy = 0.5493236680572278 eV
minimum distance =  2.48596851320688 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7628497837350563
Energy: 0.6387344577828492
Energy: 0.5948063431583538
Energy: 0.6323143066031641
Energy: 0.6366898265040296
Energy: 0.7204890852132598
Energy: 0.6313499352756093
Energy: 0.5986161022094011
Energy: 0.6455799520600352
Energy: 0.6385599487336586
Energy: 0.6291150916399204
Energy: 0.6209469770382783
Energy: 0.6392406235041097
Energy: 0.6320327160007619
Energy: 0.6414153789006103
Energy: 0.5976428733143271
Energy: 0.6043997890920078
Energy: 0.6435577719485551
Energy: 0.6562411259054763
Energy: 0.6753717380587749
Energy: 0.618864303540286
Energy: 0.732659179366923
Energy: 0.6646302628193017
Energy: 0.6326683267775595
Energy: 0.6394223121889651
Energy: 0.6310606400852229
Energy: 0.6673580032775261
Energy: 0.6764063403388033
Energy: 0.6564215279826976
Energy: 0.6783678629944286
Energy: 0.6390314329244189
Energy: 0.6327967918723533
Energy: 0.6401068200848298
Energy: 0.6230948701239993
Energy: 0.6899555015442737
Energy: 0.6764536938126082
Energy: 0.6428705811901337
Energy: 0.6050651684185635
Energy: 0.6239295927894966
Energy: 0.7477780811466045
Energy: 0.6585748533706635
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Energy: 0.6184925571052807
Energy: 0.6171993294410273
Energy: 0.6208884737847689
Energy: 0.6537831130962575
Energy: 0.6263292697464471
Energy: 0.6153816057467976
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Energy: 0.6194472329157623
Energy: 0.6866327444795117
Energy: 0.6242748686160255
Energy: 0.6391353342976639
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Energy: 0.5936272351729588
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Energy: 0.6320401609650113
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Energy: 0.6622692808868753
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Energy: 0.6555100555917798
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Energy: 0.5931273320131341
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Energy: 0.6451774903719213
Energy: 0.6863630231058454
Energy: 0.6086305438874482
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Energy: 0.6368847791427903
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Energy: 0.6862025492555703
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Energy: 0.5846624501163628
Energy: 0.6374395720246494
Energy: 0.5933243265995847
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Energy: 0.6474348968098412
Energy: 0.643303865198369
Energy: 0.5617815207246489
Energy: 0.6007378081412315
Energy: 0.6773069774355056
Energy: 0.6490649799668836
Energy: 0.6354782869700548
Energy: 0.6381453615596682
Energy: 0.6009701545356587
Energy: 0.6509449199854149
Energy: 0.6567509294282524
Energy: 0.6453154669540088
Energy: 0.6376968077714632
Energy: 0.5996840629217713
Energy: 0.6458713538582707
Energy: 0.6641049789759846
Energy: 0.6487626535593226
Energy: 0.6537152932124886
Energy: 0.6829125497844384
Energy: 0.601836041256255
Energy: 0.6748819090840197
Energy: 0.7660528154433187
Energy: 0.6845965930126586
Energy: 0.682203815266992
Energy: 0.6191361591418657
Energy: 0.6775372915898022
Energy: 0.765050488875147
Energy: 0.6611271362599881
Energy: 0.6924299984505634
Energy: 0.6235700291638532
Energy: 0.618915451225856
Energy: 0.6666907882033429
Energy: 0.6518603708214848
Energy: 0.6607526170326546
Energy: 0.6051983974410543
Energy: 0.6242665567005182
Energy: 0.7284208169964788
Energy: 0.6965753088566198
Energy: 0.638165570331872
Energy: 0.6185254134639605
Energy: 0.599519863184048
Energy: 0.5894741578495791
Energy: 0.6131260502737131
Energy: 0.6379502766520706
Energy: 0.6245584892645052
Energy: 0.6356038992923293
Energy: 0.6001856860866841
Energy: 0.6173688207326828
Energy: 0.6977924157584123
Energy: 0.6657079117602519
Energy: 0.5856174944209035
Energy: 0.6281373125768576
Energy: 0.6257713015921943
Energy: 0.6257159152475672
Energy: 0.6288293252289915
Energy: 0.5840201563297976
Energy: 0.6297606576437799
Energy: 0.5833581623284966
Energy: 0.6537112553167601
Energy: 0.6568268980512649
Energy: 0.6062123962106369
Energy: 0.6240270556468241
Energy: 0.6612843226437133
Energy: 0.6406103929436928
Energy: 0.6464935249021531
Energy: 0.5971266639281076
Energy: 0.639404447823952

minimum gb energy = 0.5617815207246489 eV
minimum distance =  2.56733523153817 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6733969612274203
Energy: 0.5759748997444137
Energy: 0.6189716367568223
Energy: 0.5790438726482956
Energy: 0.5810270844143147
Energy: 0.5814895968847652
Energy: 0.5933055255163313
Energy: 0.6180671901326895
Energy: 0.5904203081379061
Energy: 0.6010565774032727
Energy: 0.6793257103622221
Energy: 0.5845156838434193
Energy: 0.5716538073876057
Energy: 0.5771107983928315
Energy: 0.5728680395333737
Energy: 0.66835126329868
Energy: 0.5814478047692245
Energy: 0.5989405733447363
Energy: 0.5924824200452872
Energy: 0.5854022074426561
Energy: 0.575388913121675
Energy: 0.633816484929837
Energy: 0.6343337807135087
Energy: 0.5918911445501064
Energy: 0.7113721211981829
Energy: 0.5827155725033941
Energy: 0.6348570863313586
Energy: 0.6351533264068306
Energy: 0.5982337021536084
Energy: 0.6183092397501269
Energy: 0.5858926145682082
Energy: 0.6110757690683819
Energy: 0.5819611050855262
Energy: 0.5852306652096547
Energy: 0.5841795423235839
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Energy: 0.5938066041258865
Energy: 0.5660995202526695
Energy: 0.56964943786301
Energy: 0.585342811924921
Energy: 0.5971646657361707
Energy: 0.5848784031060674
Energy: 0.5865103916100407
Energy: 0.5997007855902383
Energy: 0.6101240808276346
Energy: 0.6018352072917509
Energy: 0.586984285495615
Energy: 0.5865401034404587
Energy: 0.5897198028372178
Energy: 0.6349301097979506
Energy: 0.607381031253429
Energy: 0.6403114991824015
Energy: 0.6046334983749729
Energy: 0.5650733143052032
Energy: 0.5867274466015538
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Energy: 0.6256936171090616
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Energy: 0.6397072956941615
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Energy: 0.5553697756213676
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Energy: 0.5945000570545761
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Energy: 0.5689458491423662
Energy: 0.6930127849880884
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Energy: 0.597010122673365
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Energy: 0.5832631150949306
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Energy: 0.5907540206022465
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Energy: 0.602254269436869
Energy: 0.6183407647533568
Energy: 0.5836860441880801
Energy: 0.5766119274828895
Energy: 0.6669866966232391
Energy: 0.5922859165661847
Energy: 0.6565754656901318
Energy: 0.5958566814566031
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Energy: 0.585539565062096
Energy: 0.595496325008061
Energy: 0.6101522997154922
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Energy: 0.5966130956126924
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Energy: 0.634931701105183
Energy: 0.5825914336069808
Energy: 0.5763717890655634
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Energy: 0.5994420465262671
Energy: 0.6196048197166448
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Energy: 0.5726872761518705
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Energy: 0.5862893595607189
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Energy: 0.620237558649641
Energy: 0.6260082335283872
Energy: 0.6188199280344897
Energy: 0.5716464868915621
Energy: 0.5868674803284174
Energy: 0.6167315473656778
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Energy: 0.5933383583608003
Energy: 0.5878610114033367
Energy: 0.5972507108477227
Energy: 0.6491572955498681
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Energy: 0.5943826605410362
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Energy: 0.6087636619193126
Energy: 0.6483715466372123
Energy: 0.5920581229008125
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Energy: 0.6219489259897274
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Energy: 0.6299315362143374
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Energy: 0.6513871346226684
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Energy: 0.6012510241379226
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Energy: 0.6516202340109354
Energy: 0.5973495669291533
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Energy: 0.5423938788985714
Energy: 0.5433995113819742
Energy: 0.555324347199247
Energy: 0.6024258707199107
Energy: 0.580615992812825
Energy: 0.5596139958298235
Energy: 0.5607204154906996
Energy: 0.5635024734807751
Energy: 0.6092709015414755
Energy: 0.6160949871211617
Energy: 0.5641940712550547
Energy: 0.5627052455821125
Energy: 0.58946927777592
Energy: 0.6088791707410517
Energy: 0.6103449055012024
Energy: 0.5718059584916446
Energy: 0.5641175377108061
Energy: 0.5911786910801001
Energy: 0.5461899452929649
Energy: 0.5974860579004321
Energy: 0.5952039966694583
Energy: 0.6011087934434527
Energy: 0.5416431381436648
Energy: 0.643864514090863
Energy: 0.5813812964794322
Energy: 0.5893793213337633
Energy: 0.592001642347335
Energy: 0.5664724666301069
Energy: 0.681675986588719
Energy: 0.5824310600751931
Energy: 0.611489013051659
Energy: 0.6157343860859579
Energy: 0.5900377713031898
Energy: 0.5834615626235681
Energy: 0.5717779724753216
Energy: 0.5977087220654537
Energy: 0.5761969531752379
Energy: 0.6046202022733034

minimum gb energy = 0.5416431381436648 eV
minimum distance =  2.57741256375293 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.49096484590436673
Energy: 0.3792324198634674
Energy: 0.39896123168794306
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Energy: 0.3574643564030388
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Energy: 0.4100343596019896
Energy: 0.3584896123165138
Energy: 0.3720444113860569
Energy: 0.43085966110089374
Energy: 0.4144125861653093
Energy: 0.4218209456832614
Energy: 0.37614379239454826
Energy: 0.4705726003714277
Energy: 0.3580452863296317
Energy: 0.4216624974377782
Energy: 0.42075290450304575
Energy: 0.37269256994205135
Energy: 0.37926182800465735
Energy: 0.3617945112248373
Energy: 0.37899280280177394
Energy: 0.3643715592842154
Energy: 0.3920509430682778
Energy: 0.36497109369111363
Energy: 0.36586468604980005
Energy: 0.3624827935314492
Energy: 0.40820425703413876
Energy: 0.41963423842261094
Energy: 0.4318658543018163
Energy: 0.36147764092844525
Energy: 0.4897805100837227
Energy: 0.37404411413219796
Energy: 0.4182321354674496
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Energy: 0.3805703415052291
Energy: 0.41065713459570463
Energy: 0.4288080151508761
Energy: 0.3786121881303811
Energy: 0.40893094488182863
Energy: 0.49539916937428113

minimum gb energy = 0.35065422145884967 eV
minimum distance =  2.62259793030143 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7114477145330731
Energy: 0.553022761480547
Energy: 0.5442162614538216
Energy: 0.5117318944127517
Energy: 0.5342839524436684
Energy: 0.5925336452640807
Energy: 0.5361180303926469
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Energy: 0.5761907901159001
Energy: 0.5545185289279025
Energy: 0.5415318649494826
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Energy: 0.5298930437796691
Energy: 0.594885327957706
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Energy: 0.528753062784702
Energy: 0.5580094115553436
Energy: 0.5597615146275551
Energy: 0.5393697330541021
Energy: 0.5325211532285439
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Energy: 0.5416013325948987
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Energy: 0.5258879015277687
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Energy: 0.5361809615843488
Energy: 0.5621186707161131
Energy: 0.5364290674805541
Energy: 0.5476792385161746

minimum gb energy = 0.5040262409881346 eV
minimum distance =  2.51594207767544 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8371529127457413
Energy: 0.6765068981338149
Energy: 0.6246906493408759
Energy: 0.6362005722191513
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Energy: 0.651441365414572
Energy: 0.6135652412929103
Energy: 0.6839670928032177
Energy: 0.5973046641806085
Energy: 0.6291216688626867
Energy: 0.6765344921775313
Energy: 0.6515989779260727
Energy: 0.629712413434962
Energy: 0.6237383317266519
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Energy: 0.6665955918409152
Energy: 0.6514086250087475
Energy: 0.629976926309819
Energy: 0.6526506130433578
Energy: 0.6675061839572938
Energy: 0.6696822092676052
Energy: 0.6374335975937
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Energy: 0.6027391593851814
Energy: 0.6467937890094212
Energy: 0.7051035696830786
Energy: 0.6379086881936651
Energy: 0.6028356657924941
Energy: 0.6020713306466601
Energy: 0.6465839970072499

minimum gb energy = 0.5865157322136683 eV
minimum distance =  2.57327447323633 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9557067371095171
Energy: 0.6829831076937913
Energy: 0.6917915161387538
Energy: 0.6340630775271967
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Energy: 0.6508591309154022
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Energy: 0.6223541265811542
Energy: 0.6524883196614466
Energy: 0.6503635395652212
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Energy: 0.6688266562584201
Energy: 0.6543813748553965
Energy: 0.6506239445537922
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Energy: 0.623111756797873
Energy: 0.7216389430174202
Energy: 0.6325645407231423
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minimum gb energy = 0.6187401063992298 eV
minimum distance =  2.52374258875501 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6528854815074532
Energy: 0.6174849675365662
Energy: 0.622053538500582
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Energy: 0.7066079942880096
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Energy: 0.6584891493404328
Energy: 0.5953008627273868
Energy: 0.7033676723140954
Energy: 0.6199618828112874
Energy: 0.6530136237006675
Energy: 0.6656158827246518
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Energy: 0.6719939537642474
Energy: 0.6220720819761124
Energy: 0.6529570566279027
Energy: 0.6655581444408926
Energy: 0.6677433521590572
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Energy: 0.660989946833479
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Energy: 0.6578695228986278
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Energy: 0.6402324625361671
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Energy: 0.6397839239866054
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Energy: 0.6614826910944038
Energy: 0.6894979895308283
Energy: 0.6585843938447642
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Energy: 0.6516361072871154
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Energy: 0.6562767034545111
Energy: 0.6560784366518813
Energy: 0.6910978010840463
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Energy: 0.7020949955832587
Energy: 0.6989746440002508
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Energy: 0.6143673310621139
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Energy: 0.6707069011480501
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Energy: 0.6299378722148344
Energy: 0.6451426127033889
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Energy: 0.6989351859428299
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Energy: 0.6451088281981756
Energy: 0.6166708595933559
Energy: 0.6485899532410664
Energy: 0.6942553360020303
Energy: 0.6756823822048597
Energy: 0.6559289403418329
Energy: 0.6806136024563876
Energy: 0.6441209372470368
Energy: 0.670083644211559
Energy: 0.6317242887627166
Energy: 0.6528494421202773
Energy: 0.6931675291630851
Energy: 0.6833832532580629
Energy: 0.6765145142918966
Energy: 0.6276840381703467
Energy: 0.6526919335520169
Energy: 0.655984095802181
Energy: 0.6376914996132542
Energy: 0.6877262431441004
Energy: 0.7014722453519088
Energy: 0.6418479528939321
Energy: 0.6540365673382305
Energy: 0.6399773686571021
Energy: 0.6684130048096449
Energy: 0.6997527889061518
Energy: 0.6112626248165419
Energy: 0.6574802809614948
Energy: 0.6381656722636614
Energy: 0.654421859533944
Energy: 0.6955073555593609
Energy: 0.6462455967271077
Energy: 0.6558811251905977
Energy: 0.6370513743297647
Energy: 0.6565051308849458
Energy: 0.7099986592505401
Energy: 0.6370525170057086
Energy: 0.67172234124048
Energy: 0.6659016541718283
Energy: 0.6874831073209355
Energy: 0.6793952944146437
Energy: 0.6782170615058829
Energy: 0.6845282846653749
Energy: 0.6684262758049702
Energy: 0.6723964441977559
Energy: 0.6891381956806512
Energy: 0.6666323121114481
Energy: 0.6698870443625785
Energy: 0.6678435578349046
Energy: 0.6598802659765183
Energy: 0.6688770574135289
Energy: 0.676561679137554
Energy: 0.6674267249284506
Energy: 0.6696629363378556
Energy: 0.7111045159846154
Energy: 0.6723135615648691
Energy: 0.7062926587456373
Energy: 0.6998765925996857
Energy: 0.6718633370589722
Energy: 0.6356387185532721
Energy: 0.6474591997917188
Energy: 0.6793871358176695
Energy: 0.629983179272565
Energy: 0.668946586759565
Energy: 0.6379236132298354
Energy: 0.6379994949337553
Energy: 0.6877073961970919
Energy: 0.6406340179286216
Energy: 0.6534908876349492
Energy: 0.6888126106241704
Energy: 0.6111064700885679
Energy: 0.6234035476651014
Energy: 0.5951632608619354
Energy: 0.6749684285629416
Energy: 0.6871895510332111
Energy: 0.638790752957313
Energy: 0.6108722588137834

minimum gb energy = 0.5947134865274045 eV
minimum distance =  2.54504463604113 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.560646646647302
Energy: 0.560670529974432
Energy: 0.6184592868542617
Energy: 0.6641656340659171
Energy: 0.5606424302908025
Energy: 0.5612052192379752
Energy: 0.5707555273234293
Energy: 0.618756220710153
Energy: 0.6641586200851928
Energy: 0.5609139248719409
Energy: 0.5756764574888995
Energy: 0.570141521911969
Energy: 0.5716195595259479
Energy: 0.5707838589147621
Energy: 0.571218999410948
Energy: 0.5977494311284572
Energy: 0.5705286671417047
Energy: 0.5609661160542596
Energy: 0.6652615941082235
Energy: 0.5707651444345355
Energy: 0.570051409700892
Energy: 0.6634236579161438
Energy: 0.570108313130213
Energy: 0.618527760134663
Energy: 0.5961535584196853
Energy: 0.5724247871876242
Energy: 0.663093152015765
Energy: 0.5698027691519983
Energy: 0.6187536418958957
Energy: 0.594921861420273
Energy: 0.6196017058625302
Energy: 0.5609466578187369
Energy: 0.5609537493938037
Energy: 0.5719475454053049
Energy: 0.5952773917516574
Energy: 0.618995397898865
Energy: 0.5611257907120417
Energy: 0.5609307441834417
Energy: 0.5723029998695081
Energy: 0.5651384260576651
Energy: 0.6638921608260364
Energy: 0.5607586923439599
Energy: 0.5606833826330414
Energy: 0.5960503846612276
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Energy: 0.6653667416805293
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Energy: 0.5607569174388969
Energy: 0.5972864787968003
Energy: 0.5694061566037472
Energy: 0.57048400993543
Energy: 0.6188582294979154
Energy: 0.6640364245413606
Energy: 0.5703366880603993
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Energy: 0.6637746503037687
Energy: 0.6186501462256889
Energy: 0.6640523947503869
Energy: 0.5703337102295394
Energy: 0.5621185477885137
Energy: 0.5698234993131839
Energy: 0.5667059444711502
Energy: 0.5715801715002429
Energy: 0.5698762649464618
Energy: 0.5969532716526247
Energy: 0.5698237539175383
Energy: 0.5656372426302942
Energy: 0.5722220244480982
Energy: 0.5696863994609694
Energy: 0.5958930691291915
Energy: 0.6170258227174814
Energy: 0.5966116219169438
Energy: 0.5695542078979354
Energy: 0.5606374467954521
Energy: 0.5608553051406303
Energy: 0.5692818202875615
Energy: 0.6913337328895592
Energy: 0.5696962581936678
Energy: 0.5605626803133799
Energy: 0.5607981658854055
Energy: 0.5697787106941871
Energy: 0.5607986199110052
Energy: 0.5706040945956788
Energy: 0.5609404943256319
Energy: 0.5978586103787547
Energy: 0.5699033073472937
Energy: 0.5712008293297361
Energy: 0.5713194857591629
Energy: 0.5609392803825464
Energy: 0.5951781651799893
Energy: 0.5705623960640285
Energy: 0.570179895861139
Energy: 0.6914313867969781
Energy: 0.5698154399794035
Energy: 0.6635633635321466
Energy: 0.5703300298765043
Energy: 0.5702030286722329
Energy: 0.6906203992825266
Energy: 0.5701543578101504
Energy: 0.663715051548616
Energy: 0.5609763685224901
Energy: 0.5707983485827217
Energy: 0.5709071174319656
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Energy: 0.5957988971430462
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Energy: 0.5705295817175059
Energy: 0.5657739634838714
Energy: 0.5697593061219535
Energy: 0.5961586838734502
Energy: 0.5607638618131683
Energy: 0.5706968544223184
Energy: 0.618365297162867
Energy: 0.6640712142650047
Energy: 0.5607022512649492
Energy: 0.5613319462046165
Energy: 0.5694428897728394
Energy: 0.6186168030598381
Energy: 0.6641555188947963
Energy: 0.5608957424510856
Energy: 0.59544720193543
Energy: 0.5701107084894269
Energy: 0.5710962714548233
Energy: 0.5706599856496833
Energy: 0.5712257582051797
Energy: 0.5966548357302965
Energy: 0.5703202853252507
Energy: 0.5609430972045224
Energy: 0.665491365847811
Energy: 0.5705689246003052
Energy: 0.5701502514774877
Energy: 0.6637843300135114
Energy: 0.5701612030041271
Energy: 0.6184372410326568
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Energy: 0.5719028359464465
Energy: 0.6635026813582279
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Energy: 0.6189711902857227
Energy: 0.595084724950766
Energy: 0.6195553310848251
Energy: 0.5607906453498277
Energy: 0.5610319963970503
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Energy: 0.5953879322808926
Energy: 0.6193328115166515
Energy: 0.5610217651516101
Energy: 0.5610362265706718
Energy: 0.5723897136938765
Energy: 0.596485594972286
Energy: 0.6642662521345295
Energy: 0.5607934231947981
Energy: 0.560664051852986
Energy: 0.5978068708120037
Energy: 0.570105481770538
Energy: 0.6646311465129511
Energy: 0.5609406766499433
Energy: 0.5606820086969259
Energy: 0.5712799702652104
Energy: 0.5694731109342933
Energy: 0.5700560164780738
Energy: 0.6191758927619953
Energy: 0.6640593082485451
Energy: 0.5713494020988803
Energy: 0.5609527972256814
Energy: 0.6636142115424104
Energy: 0.6187972490465804
Energy: 0.6640600154155932
Energy: 0.5704478892322837
Energy: 0.5617229406862206
Energy: 0.5694846043042692
Energy: 0.5666320126827816
Energy: 0.5713064120188809
Energy: 0.5699653094060464
Energy: 0.5967351645769235
Energy: 0.569645966245349
Energy: 0.5656284727142318
Energy: 0.5696922847139602
Energy: 0.5700047822930702
Energy: 0.5971309524380803
Energy: 0.6151056769170105
Energy: 0.5966528336270353
Energy: 0.5697055215456857
Energy: 0.5606161776805751
Energy: 0.560912629203561
Energy: 0.5692039292968673
Energy: 0.5961639755181672
Energy: 0.5697062982027856
Energy: 0.5606156564694924
Energy: 0.5608376621618266
Energy: 0.5698216469722222
Energy: 0.5608497078387213
Energy: 0.5709337471030917
Energy: 0.5610287678110387
Energy: 0.595561820501342
Energy: 0.5701849770428735
Energy: 0.570971017422082
Energy: 0.57129425045675
Energy: 0.5609707289147547
Energy: 0.5698126802475071
Energy: 0.5706573249210649
Energy: 0.5701666072586337
Energy: 0.6917252826859707
Energy: 0.5700523883173884
Energy: 0.6640029943012594
Energy: 0.569561486392542
Energy: 0.570148476506365
Energy: 0.6905831922644134
Energy: 0.5701084982226229
Energy: 0.6636906973343771
Energy: 0.5608898245539566
Energy: 0.5704203089942681
Energy: 0.5708414982487875
Energy: 0.6187184123119814
Energy: 0.5952315801477663
Energy: 0.560983870646431
Energy: 0.5704448901162088
Energy: 0.5656055300678167
Energy: 0.5698737538969378
Energy: 0.5965165228931104

minimum gb energy = 0.5605626803133799 eV
minimum distance =  2.57786910444815 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0692956594870429
Energy: 0.6193201063310696
Energy: 0.63514946944479
Energy: 0.6674847424074718
Energy: 0.6188560415128912
Energy: 0.6260016012216034
Energy: 0.5971790764351552
Energy: 0.6911660716075791
Energy: 0.6721327955093964
Energy: 0.5988989711633393
Energy: 0.6025527809472371
Energy: 0.6230897611360343
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Energy: 0.6382154887829451
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Energy: 0.6171241865739729
Energy: 0.6681555084868153
Energy: 0.6868967786363591
Energy: 0.6150876973066867
Energy: 0.6454527673328067
Energy: 0.6913463422408873
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Energy: 0.6727286390406823
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Energy: 0.6340269468277587
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Energy: 0.6800516298341449
Energy: 0.641143246431358
Energy: 0.6178723615001279
Energy: 0.6814180996358407
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Energy: 0.604679595287206
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Energy: 0.6180200232217832
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Energy: 0.7536370794976736
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Energy: 0.6608364349758273
Energy: 0.655541098115219
Energy: 0.6199705323523593
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Energy: 0.6362746691381704
Energy: 0.6216704312032827
Energy: 0.6216182076963255
Energy: 0.6189761781697203
Energy: 0.6967900959475583
Energy: 0.6381394572335822
Energy: 0.6041224665283311
Energy: 0.6009669899615514
Energy: 0.6952794788872997
Energy: 0.6972005041995722
Energy: 0.6472163303097371
Energy: 0.6226308176020401
Energy: 0.6011207910455002
Energy: 0.6314607443635598
Energy: 0.6740772065953017
Energy: 0.6032745471482567
Energy: 0.6038766344688723
Energy: 0.5980728373597015
Energy: 0.7371208344102725
Energy: 0.6746586834800644
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Energy: 0.6405012947304631
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Energy: 0.673466980736083
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Energy: 0.6645813376674066
Energy: 0.6011709693584659
Energy: 0.68448723859095
Energy: 0.6284664670311043
Energy: 0.6326745088333764
Energy: 0.6440255490324245
Energy: 0.5963639031924021
Energy: 0.6888417828561674
Energy: 0.6290608320054559
Energy: 0.6032356315838285
Energy: 0.644363448930594
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Energy: 0.6389678380247672
Energy: 0.6143060911810526
Energy: 0.6106006440219988
Energy: 0.6853877818160742
Energy: 0.6007208819763016
Energy: 0.6058545744659682
Energy: 0.6227993652176899
Energy: 0.7028838655321061
Energy: 0.7089660745343973
Energy: 0.6956246830445394
Energy: 0.7172013591197677
Energy: 0.601235768149709
Energy: 0.687107495213549
Energy: 0.6955890452133231
Energy: 0.6956650308150656
Energy: 0.6672895684916547
Energy: 0.5979238496645765
Energy: 0.5970776014717829
Energy: 0.6129433230918329
Energy: 0.6695049036827172
Energy: 0.638428838821664
Energy: 0.9287534050928182
Energy: 0.5970135090846252
Energy: 0.6115968309176026
Energy: 0.6650531270267224
Energy: 0.6477360049834108
Energy: 0.6813930311316385
Energy: 0.7161936841837913
Energy: 0.7056632721452761
Energy: 0.7159667704132763
Energy: 0.6402779506563573
Energy: 0.6119036774745739
Energy: 0.6391466069811287
Energy: 0.6912724273609161
Energy: 0.6895522492222025
Energy: 0.60561016501359
Energy: 0.6104515296498172
Energy: 0.6477951724899785
Energy: 0.6587525225494313
Energy: 0.6342098648026573
Energy: 0.6134711667961846
Energy: 0.606236505619465
Energy: 0.654584280866522
Energy: 0.6637832549589084
Energy: 0.6350045102674347
Energy: 0.611203636858381
Energy: 0.6057903452945488
Energy: 0.6405306776557811
Energy: 0.6188768119745732
Energy: 0.7162892366399344
Energy: 0.6083317675498287
Energy: 0.6061771827982025
Energy: 0.5999689115567244
Energy: 0.6404097803868638
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Energy: 0.608154161193588
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Energy: 0.682743876205395
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Energy: 0.6213775535986663
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Energy: 0.7008667904947367
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Energy: 0.6973956524491113
Energy: 0.6728825910251109
Energy: 0.6117021540397798
Energy: 0.6008313618822494
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Energy: 0.6980398953335117
Energy: 0.6684028111711643
Energy: 0.6038409994854453
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Energy: 0.6288969891703462
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Energy: 0.6360299363502654
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Energy: 0.6307553452612593
Energy: 0.6702168849275943
Energy: 0.6389028217341515
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Energy: 0.6004763160411432
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Energy: 0.6402103358269643
Energy: 0.6177686321645964
Energy: 0.6453014308143862
Energy: 0.6006194793562449
Energy: 0.6069128980285182
Energy: 0.6395539500256486
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Energy: 0.6931127510251559
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Energy: 0.5980924001904931
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Energy: 0.6936923250460739
Energy: 0.6645678286780742
Energy: 0.5975110978639342
Energy: 0.5970218062134557
Energy: 0.6383443829954845
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Energy: 0.6051110553171059
Energy: 0.6801048226639493
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Energy: 0.6544553086718778
Energy: 0.6543695270803369
Energy: 0.6078106305283505
Energy: 0.6793866629302675
Energy: 0.6913955016422565
Energy: 0.7145543466433543
Energy: 0.689230210824407
Energy: 0.6859121958526928
Energy: 0.610755090606448
Energy: 0.6833403793716069
Energy: 0.7026003673787939
Energy: 0.6921413794325549
Energy: 0.6370351405109884
Energy: 0.6079363701444543
Energy: 0.6921573567674342
Energy: 0.6261656854952
Energy: 0.6098765790841176
Energy: 0.6051396449217185
Energy: 0.6049984470254909
Energy: 0.6472083820739777
Energy: 0.6217415046707193
Energy: 0.6163190057887751
Energy: 0.6042893812385587
Energy: 0.611447080018951
Energy: 0.6069613162379369
Energy: 0.6218692405884084
Energy: 0.6703155258656928
Energy: 0.6072316907887998
Energy: 0.6053449381633121
Energy: 0.6067100253972558
Energy: 0.6218710998445353
Energy: 0.6393377330130893
Energy: 0.6074504854586356
Energy: 0.6059285417577097
Energy: 0.698847115937486
Energy: 0.640595296538193
Energy: 0.6150635452739908
Energy: 0.6457479539719323
Energy: 0.6343983961525117
Energy: 0.6502528145646264
Energy: 0.6411285282230714
Energy: 0.6085903875399431
Energy: 0.6812328615405016
Energy: 0.6470800654822237
Energy: 0.6076723248317077
Energy: 0.6073637642458114
Energy: 0.6109672335741678
Energy: 0.7515388855223898
Energy: 0.5991790720376838
Energy: 0.596892543207328
Energy: 0.5965605495490844
Energy: 0.6857578676197312
Energy: 0.7496457843706156
Energy: 0.5991698724262025
Energy: 0.607752626735366
Energy: 0.6116800581720732
Energy: 0.609283313873557
Energy: 0.6065564673050075
Energy: 0.6425017773321959
Energy: 0.6193035903789166
Energy: 0.6219358731023706
Energy: 0.6969810187308599
Energy: 0.6072859579493852
Energy: 0.6465529416829994
Energy: 0.6228944194835141
Energy: 0.597010284419831
Energy: 0.7023563959136454
Energy: 0.7050888684925647
Energy: 0.6372001683646521
Energy: 0.6045455141487078
Energy: 0.5979607633087042
Energy: 0.7011988927161517
Energy: 0.6433350718824067
Energy: 0.6633312120236513
Energy: 0.6469178615623988
Energy: 0.7023461140233885
Energy: 0.605267893493574
Energy: 0.634025085665612
Energy: 0.5941485364698362
Energy: 0.6383547605472167
Energy: 0.6818264638172572
Energy: 0.6372046426135703
Energy: 0.6205042300160517
Energy: 0.6184069951045196

minimum gb energy = 0.5915935678622322 eV
minimum distance =  2.54300958680994 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8066962811499853
Energy: 0.58408366984494
Energy: 0.6473785419034416
Energy: 0.6415235946361163
Energy: 0.5823210316171138
Energy: 0.807235417647164
Energy: 0.577446940667476
Energy: 0.637519048278725
Energy: 0.5700931314321
Energy: 0.6875662769198876
Energy: 0.5628537327143797
Energy: 0.6779100946009432
Energy: 0.6815876245039307
Energy: 0.6883614190836947
Energy: 0.6775151670459872
Energy: 0.5680943617394134
Energy: 0.6869442908400647
Energy: 0.6759098292733028
Energy: 0.6389697629314612
Energy: 0.6292163851644685
Energy: 0.6301444400926015
Energy: 0.6251312373461655
Energy: 0.7504279111794061
Energy: 0.614101774132474
Energy: 0.6225957695999913
Energy: 0.6304329258766078
Energy: 0.6251346820440254
Energy: 0.7505849031125919
Energy: 0.6135256400284944
Energy: 0.6228786500762561
Energy: 0.6125046509161695
Energy: 0.5800853946858664
Energy: 0.7358469116020131
Energy: 0.5692130579211757
Energy: 0.6263217715541546
Energy: 0.6138393032672126
Energy: 0.5700715014053716
Energy: 0.6734784853851569
Energy: 0.5676225867526031
Energy: 0.6282235626562297
Energy: 0.6332729489140362
Energy: 0.753912928201077
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Energy: 0.6103874835742623
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Energy: 0.5677551976733298
Energy: 0.7596995443898468
Energy: 0.6103216475605391
Energy: 0.6074283694872241
Energy: 0.6694022972558216
Energy: 0.6440279494048845
Energy: 0.6344542922945144
Energy: 0.6234735428478551
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Energy: 0.6438658668557098
Energy: 0.6332533778634595
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Energy: 0.6341893161342349
Energy: 0.8076821534033933
Energy: 0.6209971904892623
Energy: 0.6330922317141382
Energy: 0.6191585536273487
Energy: 0.6286218236466538
Energy: 0.6233938123235939
Energy: 0.6207690223689302
Energy: 0.6320614361316715
Energy: 0.6306579573386105
Energy: 0.6090915433408949
Energy: 0.6231886128709854
Energy: 0.6267005385338513
Energy: 0.6333655775330734
Energy: 0.6081415092972028
Energy: 0.7492634755760782
Energy: 0.7429207486485793
Energy: 0.6264997639914571
Energy: 0.633107776065115
Energy: 0.608633193053011
Energy: 0.7425187801491837
Energy: 0.6859157464610967
Energy: 0.5789519058207971
Energy: 0.7461792059543496
Energy: 0.5761550978409572
Energy: 0.756359110869123
Energy: 0.6137545337597157
Energy: 0.5971279330484304
Energy: 0.7458291495635511
Energy: 0.57532693148996
Energy: 0.7540991884517234
Energy: 0.6116784708170985
Energy: 0.6170051227288489
Energy: 0.6446832739109504
Energy: 0.5704248738775373
Energy: 0.5646015638131646
Energy: 0.6888283354864233
Energy: 0.5666450719139224
Energy: 0.6093389983626621
Energy: 0.5721690081121761
Energy: 0.5655072975282657
Energy: 0.6802863672851072
Energy: 0.5691082848901995
Energy: 0.5680367934654916
Energy: 0.5674617177722492
Energy: 0.8116749532014789
Energy: 0.571791496231984
Energy: 0.5685314573122879
Energy: 0.5676914681733228
Energy: 0.568207218057677
Energy: 0.8118418941759462
Energy: 0.6131028217075013
Energy: 0.573213796519714
Energy: 0.5751249617305072
Energy: 0.5736123175744403
Energy: 0.6553650075687558
Energy: 0.5713616823628874
Energy: 0.5726140599615267
Energy: 0.5739719680092948
Energy: 0.6149261964572572
Energy: 0.6872813686737314
Energy: 0.5713164861268978
Energy: 0.5695185871813778
Energy: 0.5702082910416851
Energy: 0.7533468847149826
Energy: 0.7562232969473424
Energy: 0.6261839198586525
Energy: 0.5698436188174263
Energy: 0.5706976894504493
Energy: 0.7425696753876224
Energy: 0.6386315268728663
Energy: 0.6267236075183927
Energy: 0.6744397069442157
Energy: 0.5711160827912763
Energy: 0.7394718196223878
Energy: 0.5725182517740139
Energy: 0.5810677866947515
Energy: 0.6749746463693308
Energy: 0.575933333234926
Energy: 0.7394457269893029
Energy: 0.5719627057974174
Energy: 0.6421168047777563

minimum gb energy = 0.5628537327143797 eV
minimum distance =  2.60767009451516 Angstroms
sigma value = 33