Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9173715934157367
cohesive_energy=5.770453839558936
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.02144314960431783
Energy: 0.023242338321735563
Energy: 0.1326824592700197
Energy: 0.13468878087583877
Energy: 0.023157469226974745
Energy: 0.023443875943649366
Energy: 0.13291152823466784
Energy: 0.13503249175135423
Energy: 0.1345258347710376
Energy: 0.023120930438321353
Energy: 0.023736322403423084
Energy: 0.1338538565834246
Energy: 0.133775434726769
Energy: 0.13337505252019374
Energy: 0.13351539691157518
Energy: 0.13498305456136656
Energy: 0.13399820566341442
Energy: 0.13384516637458105
Energy: 0.13266544009432754
Energy: 0.1355247314715494
Energy: 0.1329617784335852
Energy: 0.022795034221175927
Energy: 0.022003808903781254
Energy: 0.1339988610830673
Energy: 0.1329664849043022
Energy: 0.1330745417004145
Energy: 0.022781696582417216
Energy: 0.0219624515612246
Energy: 0.1336523949046292
Energy: 0.13490614987175015
Energy: 0.1331005995587381
Energy: 0.022685431835259354
Energy: 0.022518378488293737
Energy: 0.13311436746029187
Energy: 0.13373102845488372
Energy: 0.1330828540884685
Energy: 0.022771242102554674
Energy: 0.022483125379209566
Energy: 0.1322292700477629
Energy: 0.13256971949574245
Energy: 0.1327720527529188
Energy: 0.13446518751136508
Energy: 0.13329180814400074
Energy: 0.02231056952138634
Energy: 0.022361506910799193
Energy: 0.1327139744321248
Energy: 0.13480586254805005
Energy: 0.1333644979205757
Energy: 0.022679479591369435
Energy: 0.13248368491681986
Energy: 0.13307473922193802
Energy: 0.1338326868078603
Energy: 0.1348251532181854
Energy: 0.02239482769240396
Energy: 0.023038135697913832
Energy: 0.13284035001435912
Energy: 0.8854424566957344
Energy: 0.13513281735729427
Energy: 0.02251490599836812
Energy: 0.023476615049922885
Energy: 0.023468043181019416
Energy: 0.1338715775707128
Energy: 0.13329618637761537
Energy: 0.13526651330636874
Energy: 0.13377479888198604
Energy: 0.023466809311015566
Energy: 0.13400248798042944
Energy: 0.1333157034485623
Energy: 0.13678924817555413
Energy: 0.1334354968850915

minimum gb energy = 0.02144314960431783 eV
minimum distance =  2.73481725977659 Angstroms
sigma value = 3


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

Energy: 1.6398384509286192
Energy: 1.722005669120125
Energy: 1.4766348026904128
Energy: 1.5721077653968543
Energy: 1.7236288997114164
Energy: 1.464411912062158
Energy: 1.696262541469324
Energy: 1.4744197974442432
Energy: 1.5780880417148286
Energy: 1.7385786744964822
Energy: 1.6771643480248737
Energy: 1.8535377012470684
Energy: 1.6826236721452636
Energy: 1.5424446767275912
Energy: 1.484448537589046
Energy: 1.6835229125460724
Energy: 1.818741645760815
Energy: 1.7383926780366241
Energy: 1.5231674908446
Energy: 1.5421890044252344
Energy: 1.6009794479027155
Energy: 2.0107839263110643
Energy: 1.9887510242243587
Energy: 1.565453739363526
Energy: 1.5293902513159907
Energy: 1.390001153210947
Energy: 2.007514812380793
Energy: 1.8026070031559678
Energy: 1.5658130544503144
Energy: 1.5645706893276232
Energy: 1.5632549330115955
Energy: 1.6311936254037442
Energy: 1.9465849714108037
Energy: 1.3238685497269587
Energy: 1.562206559098399
Energy: 1.551231644481563
Energy: 1.9302758606482606
Energy: 1.9537450221435992
Energy: 1.6040777874091643
Energy: 1.59296216312987
Energy: 1.8632119759310326
Energy: 1.904414005834991
Energy: 1.8193643847972645
Energy: 1.9226565174392747
Energy: 1.8097216851420588
Energy: 1.8045931785199094
Energy: 1.8553256172514803
Energy: 1.7626071025500623
Energy: 1.9075329759187654
Energy: 1.6339776894825802
Energy: 1.9484355576020744
Energy: 1.645864833025654
Energy: 1.799602669391361
Energy: 1.6134084805338995
Energy: 1.771276692688484
Energy: 1.6977488486942645
Energy: 1.650528132714115
Energy: 1.6405893903341244
Energy: 1.7170341674847662
Energy: 1.7653874811250254
Energy: 1.7502488701511132
Energy: 1.6798549972571093
Energy: 1.9892706691769106
Energy: 1.6808806369668818
Energy: 1.8127907143244268
Energy: 1.7215791458734702
Energy: 1.690446345836556
Energy: 1.957378157428736
Energy: 1.6144170780917926
Energy: 1.8227495923726944
Energy: 1.463919668248316
Energy: 1.6299344745320687
Energy: 1.9400736891417152
Energy: 1.7882200427388888
Energy: 1.5853076678530496
Energy: 1.4654489969750983
Energy: 1.7156732672852557
Energy: 1.547554581292576
Energy: 1.730093889569898
Energy: 1.464239508606528
Energy: 1.730934317617037
Energy: 1.7459868811626809
Energy: 1.6988051068216983
Energy: 2.0672966846638845
Energy: 1.8031684480733403
Energy: 1.8000037098847124
Energy: 1.7521887939852712
Energy: 1.5793499882702964
Energy: 2.001615679411831
Energy: 1.8298922071313042
Energy: 2.0118243762985157
Energy: 1.5469495194750842
Energy: 1.5688628789750036
Energy: 1.6062157559738985
Energy: 2.1429594846732116
Energy: 1.5898728155032025
Energy: 1.5716984338014222
Energy: 1.391995337789415
Energy: 1.6185770997648807
Energy: 2.096527116780548
Energy: 1.9338787989403416
Energy: 1.6026763817488798
Energy: 1.5468231218237978
Energy: 1.5642091551396917
Energy: 1.8175392879417072
Energy: 2.006931047358026
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Energy: 1.545294667970533
Energy: 1.5962396700386325
Energy: 1.9591515292157318
Energy: 1.706659399930629
Energy: 1.7263384410227596
Energy: 1.8434282001308036
Energy: 1.8538953043783242
Energy: 1.7675098616168252
Energy: 1.9577489121501752
Energy: 1.799498873397562
Energy: 1.8245163755394314
Energy: 1.874693638740869
Energy: 1.7495308619864778
Energy: 1.6338348482100478
Energy: 1.903724529870409
Energy: 1.7592164361730491
Energy: 1.6479539271570462
Energy: 1.7058499854927118
Energy: 1.7630318002857603
Energy: 1.899224933419436
Energy: 1.7581853995041836
Energy: 1.643492311584111
Energy: 1.8292966390329033
Energy: 1.529507250133536
Energy: 1.7510240918840143
Energy: 1.8373138303440917
Energy: 1.706231820861075
Energy: 2.0258613090048634
Energy: 1.7783171241786055
Energy: 1.881355082078767
Energy: 1.8151630757873012
Energy: 1.7037490340942678
Energy: 1.9735876764133167
Energy: 1.4660327249328744
Energy: 1.7424965281336473
Energy: 1.473218449958148
Energy: 1.4765435494063845
Energy: 1.736451588632629
Energy: 1.5835673730723399
Energy: 1.7195213348248315
Energy: 1.4760722574396086
Energy: 1.4743473352814689
Energy: 1.7123587859107057
Energy: 1.5970316810672793
Energy: 1.7899760890751468
Energy: 1.658199800756741
Energy: 1.5574394265378748
Energy: 1.55478358693215
Energy: 2.0475334309481146
Energy: 1.82525367789014
Energy: 1.7163264037200456
Energy: 1.7290394892207033
Energy: 1.351922637565601
Energy: 1.4568877122877806
Energy: 1.9988601626429279
Energy: 1.8032101894093844
Energy: 1.577332600080571
Energy: 1.561506003047511
Energy: 1.5809193137545623
Energy: 2.010444769117228
Energy: 1.8013603422053412
Energy: 1.59475399566379
Energy: 1.5112168305079008
Energy: 1.4898276575230092
Energy: 1.7742936131509326
Energy: 1.9530845701541184
Energy: 1.6195432170297641
Energy: 1.3077955944800692
Energy: 1.5612734571976887
Energy: 1.797462520856143
Energy: 2.0012446263377925
Energy: 1.450088245883194
Energy: 1.3234465148132823
Energy: 1.7961966278624724
Energy: 1.871912242420739
Energy: 1.7877084767510507
Energy: 1.9221403945238258
Energy: 1.7695407840379824
Energy: 1.846392727785738
Energy: 1.855606306681039
Energy: 1.8197715655808773
Energy: 1.9385281078016834
Energy: 1.811624736625428
Energy: 1.6707627809500778
Energy: 1.6427915479889112
Energy: 1.7278490541358578
Energy: 1.8035606615391084
Energy: 1.768432329147001
Energy: 1.6823955945013755
Energy: 1.6472458053572006
Energy: 1.7807374940321081
Energy: 1.436360542311428
Energy: 1.7592924343042253
Energy: 1.7495406548987664
Energy: 1.7507706646235301
Energy: 1.9508956104215351
Energy: 1.5792598518627026
Energy: 1.8467780083917897
Energy: 1.737548230746203
Energy: 1.746732530852053
Energy: 1.9829022280739435
Energy: 1.6417735988794862
Energy: 1.8137903821194163
Energy: 1.4614606470740723
Energy: 1.712609996135167
Energy: 2.114044480459788
Energy: 1.7219983277625845
Energy: 1.658588640854841
Energy: 1.4650054271763753
Energy: 1.6702358787308333
Energy: 2.1998812481409247
Energy: 1.7587020079995377
Energy: 1.583783320369948
Energy: 1.682762430297056
Energy: 1.7423833010843284
Energy: 1.4526114776088674
Energy: 1.9412613754814574
Energy: 1.7974445874009515
Energy: 1.704707068277518
Energy: 1.7546093354421264
Energy: 1.676115922023975
Energy: 2.0808467900055967
Energy: 1.8027525338713835
Energy: 1.5773633226140997
Energy: 1.568480001653529
Energy: 1.3366774327374673
Energy: 1.6539621624764724
Energy: 1.9152958290747322
Energy: 1.5714732586097955
Energy: 1.5366641872710791
Energy: 1.6091605384313792
Energy: 1.605772335261593
Energy: 2.1501108910338353
Energy: 2.0337669233496785
Energy: 1.3861739182867694
Energy: 1.5545633478778584
Energy: 1.5812759068412279
Energy: 1.8101398611412747
Energy: 1.6699302461866234
Energy: 1.566075457460064
Energy: 1.5638890019942533
Energy: 1.5668678158912803
Energy: 1.806312632229789
Energy: 1.7954787399259646
Energy: 1.6116848301669346
Energy: 1.823510939296102
Energy: 1.9168330999363277
Energy: 1.7438269104806547
Energy: 1.9978517950006178
Energy: 1.7967435237493148
Energy: 1.852205757908572
Energy: 1.8716231707662387
Energy: 1.9127656777309159
Energy: 1.8715084723321669
Energy: 1.4346590068544838
Energy: 1.771333242513997
Energy: 1.6463125147581783
Energy: 1.6442538254152426
Energy: 1.6724030263816747
Energy: 1.9725466836256358
Energy: 1.7024671999452852
Energy: 1.6417185023281753
Energy: 1.7752712868026628
Energy: 1.6137935489783526
Energy: 1.8769331427569822
Energy: 1.8277722660097173
Energy: 1.707128365042791
Energy: 1.8829639070383528
Energy: 1.4811171348459344
Energy: 1.9036661014861247
Energy: 1.7717623907608537
Energy: 1.632404390226005
Energy: 2.0421216509526805
Energy: 1.6472046641487785
Energy: 1.7431475474431533
Energy: 1.468686096351213
Energy: 1.4608299586683915
Energy: 1.7099891144763861
Energy: 1.4706703324763561
Energy: 1.7362953565927288
Energy: 1.470640235606477
Energy: 1.4624359382923695
Energy: 1.7486417042348776

minimum gb energy = 1.3077955944800692 eV
minimum distance =  2.40350169176433 Angstroms
sigma value = 75


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

Energy: 2.440674019373468
Energy: 1.7112742431400672
Energy: 1.6715355284591156
Energy: 1.799035179846541
Energy: 1.8180914878534655
Energy: 2.35047181646803
Energy: 1.7825424091854885
Energy: 1.620198226715951
Energy: 1.8039706654108827
Energy: 1.790021081791602
Energy: 1.992979389761719
Energy: 1.9721107616725218
Energy: 1.7983872241759953
Energy: 1.505601669681019
Energy: 1.5039563322479765
Energy: 1.9610135635519441
Energy: 1.822687490424457
Energy: 1.7788824360251954
Energy: 1.536913791179414
Energy: 1.5872060142130904
Energy: 1.789364166102985
Energy: 1.865762444414679
Energy: 1.8399486330950765
Energy: 1.5820643938869965
Energy: 1.4995815139554187
Energy: 1.7458666221524184
Energy: 1.8393257168807202
Energy: 1.8315901445439564
Energy: 1.5745140428375548
Energy: 1.4959134721514231
Energy: 1.8322340009220628
Energy: 1.7225888954930308
Energy: 1.9950170448336346
Energy: 1.5383210135159509
Energy: 1.4909259080346504
Energy: 1.8343148977505712
Energy: 1.927602341708493
Energy: 1.9511647077947887
Energy: 1.526620301657693
Energy: 1.490234051897473
Energy: 2.055449879846526
Energy: 1.9562137637441899
Energy: 1.7234362377652597
Energy: 1.8072855327678334
Energy: 1.6723795606947416
Energy: 1.9721592685202218
Energy: 1.7998223906856483
Energy: 1.7011101456568074
Energy: 1.799247579295228
Energy: 1.7222410303991162
Energy: 1.655460008841585
Energy: 2.325847763469118
Energy: 1.8066748654366098
Energy: 1.677176356296533
Energy: 1.8063944904493414
Energy: 1.6427251902838735
Energy: 2.327815619734982
Energy: 1.7335264970400257
Energy: 1.8010693699412053
Energy: 1.7788604700133517
Energy: 1.5320561669617927
Energy: 1.67689854858858
Energy: 1.9753280656130268
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Energy: 1.5539262027209555
Energy: 1.5325101319412209
Energy: 1.9995265096806907
Energy: 1.868695167448151
Energy: 1.7943666194480925
Energy: 1.5494990187936213
Energy: 1.4920492162141983
Energy: 1.7512849175021772
Energy: 1.840039109448273
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Energy: 1.5793246554649034
Energy: 1.493405907526728
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Energy: 1.8304506538225265
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Energy: 1.8058409813434537
Energy: 1.8449948195979908
Energy: 1.8703131793762982
Energy: 1.5374984866698818
Energy: 1.5914189450598706
Energy: 1.791190096041435
Energy: 1.892924036566073
Energy: 1.857308558007891
Energy: 1.5177201378676748
Energy: 1.746724907771795
Energy: 1.9618902006210401
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Energy: 1.7826240312568695
Energy: 1.780608146130816
Energy: 1.7077713698336996
Energy: 2.0689959477089745
Energy: 1.6881680057775996
Energy: 1.8063554246410314
Energy: 1.7895100546445502
Energy: 1.692305485671864
Energy: 1.6904046960138266
Energy: 1.9582488392225976
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Energy: 1.9386269733526011
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Energy: 1.733994945908478
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Energy: 1.4999193794017482
Energy: 1.681400949259937
Energy: 1.8996378077664187
Energy: 1.5734022202993794
Energy: 1.592501802577416
Energy: 1.4988168626585479
Energy: 1.9936100128009044
Energy: 1.8566664348840447
Energy: 1.5950848829935207
Energy: 1.7434108914847561
Energy: 1.4888917625298137
Energy: 1.6779243668131054
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Energy: 1.6568387392708472
Energy: 1.492003800373222
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Energy: 1.8338183957322087
Energy: 1.8170711760451608
Energy: 1.5161215637322265
Energy: 1.6590779053611127
Energy: 1.788120162593543
Energy: 1.6888766798938823
Energy: 1.874129159688714
Energy: 1.4933308280859678
Energy: 1.6330557817098528
Energy: 1.782140972780294
Energy: 1.6330574622209648
Energy: 1.8726904332269163
Energy: 1.7490793073320159
Energy: 1.8228993300871645
Energy: 2.080152842129987
Energy: 1.6590801920964575
Energy: 1.8033852364355414
Energy: 1.7738044804082616
Energy: 1.8309868650882268
Energy: 2.0580512243054705
Energy: 1.6545209430925125
Energy: 1.776627796703497
Energy: 1.7253736513493645
Energy: 1.7102594109817275
Energy: 1.6620416004242007
Energy: 1.8636413406828016
Energy: 1.562071302248569
Energy: 1.7164716485911404
Energy: 1.7014933775910397
Energy: 1.657849726162389
Energy: 1.894316640730114
Energy: 1.5611950553168426
Energy: 1.594386290315802
Energy: 1.6046437481559916
Energy: 1.597551224296515
Energy: 1.6944149509538653
Energy: 1.8308617711300792
Energy: 1.5800814610994174
Energy: 1.602924393730236
Energy: 1.584624559967927
Energy: 1.989968280992304
Energy: 1.8970064552461765
Energy: 1.7444985703441316
Energy: 1.4915351814590176
Energy: 1.4948276184450737
Energy: 1.6871431447487868
Energy: 1.8344915512263655
Energy: 1.717950626420941
Energy: 1.4893289462152652
Energy: 1.4889059549922168
Energy: 1.6679377282755614
Energy: 1.8341115100671719
Energy: 1.8587957259533228
Energy: 1.802635341875676
Energy: 1.6711466544541054
Energy: 1.7845146799815088
Energy: 1.6471141765638917
Energy: 1.8557440793293527
Energy: 1.7161391894071307
Energy: 1.6752819359939013
Energy: 1.7224909295799737
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minimum gb energy = 1.4875152165140582 eV
minimum distance =  2.44071809407457 Angstroms
sigma value = 105


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

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Energy: 1.5758549877142307
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Energy: 1.7236975446362564
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Energy: 1.6586662064674897
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Energy: 1.6178805870170654
Energy: 1.569488770247508
Energy: 1.5917823815782033
Energy: 1.5494426225999176
Energy: 1.785010109547909
Energy: 2.072298711081901
Energy: 1.5805774476920438
Energy: 1.5857484092567862
Energy: 1.5559955165156472
Energy: 1.78333899376855
Energy: 1.973606803427706
Energy: 1.870635586169795
Energy: 1.582776790844456
Energy: 1.5465673276517615
Energy: 1.5395390955479673
Energy: 1.8303853310908618
Energy: 1.860419045446071
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Energy: 1.5269481662029745
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Energy: 1.8650772257125467
Energy: 1.851132040134795
Energy: 1.8829058789999664
Energy: 1.5214936961609014
Energy: 1.592362910263525
Energy: 1.72659957843766
Energy: 1.8408158247555868
Energy: 1.6728316159865109
Energy: 1.5293986407909956
Energy: 1.720473508453508
Energy: 1.7264423362655157
Energy: 1.5449713572696078
Energy: 2.196191227166374
Energy: 1.910797588119094
Energy: 1.7395229892185111
Energy: 1.8299051006942488
Energy: 1.5407025380195625
Energy: 2.2527915332073056
Energy: 1.9312431005076125
Energy: 1.7374010827204105
Energy: 1.8062721568011766
Energy: 1.600789151397206
Energy: 1.5983952829096342
Energy: 1.571443661791204
Energy: 1.589534169337919
Energy: 1.8585116729888371
Energy: 1.6060217469006173
Energy: 1.5853115153986537
Energy: 1.560212974247281
Energy: 1.797327394712465
Energy: 1.8999068752488222
Energy: 2.1038117285054256
Energy: 1.5308636696478028
Energy: 1.4245080667281458
Energy: 1.4593051394900993
Energy: 1.556962789290661
Energy: 2.054594204480507
Energy: 1.4879794209403656
Energy: 1.4152076095882564
Energy: 1.4490252411531268
Energy: 1.8636403930113756

minimum gb energy = 1.4077950763556182 eV
minimum distance =  2.43583966155366 Angstroms
sigma value = 165


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

Energy: 1.6525916039801964
Energy: 1.7193579927458857
Energy: 1.5667086511473727
Energy: 1.551863718359302
Energy: 1.7135264561540808
Energy: 1.654020262507576
Energy: 1.3711303451709511
Energy: 1.5545211376580272
Energy: 1.6598471413564613
Energy: 1.7129172696581736
Energy: 1.8530719691488637
Energy: 1.6329454815149438
Energy: 1.4792846757615432
Energy: 1.4161261944597854
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Energy: 1.46057283157685
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Energy: 1.416710430946688
Energy: 1.487963164360476
Energy: 1.5217656376975255
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Energy: 1.4825490632467795
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Energy: 1.3681914905624912
Energy: 1.5787642162400926
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Energy: 1.5069025726689391
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Energy: 1.575550978585669
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Energy: 1.6170842381179837
Energy: 1.4636780078588008
Energy: 1.4795736972723554
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Energy: 1.6620030985351624
Energy: 1.440033273251808
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Energy: 1.4816985103163418
Energy: 1.4400298107712843
Energy: 1.777959008267547
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Energy: 1.6575804324176784
Energy: 1.6914515692609255
Energy: 1.651163805902781
Energy: 1.507037344711342
Energy: 1.4188597309567355
Energy: 1.6336412891021583
Energy: 1.7388794810755626
Energy: 1.6631561361461598
Energy: 1.5076265227644174
Energy: 1.4429951674965567
Energy: 1.646440438807861
Energy: 1.7219663167844264
Energy: 2.1362650094294104
Energy: 1.397706844017041
Energy: 1.4965976835859431
Energy: 1.5330477133303912
Energy: 2.1153101411409296
Energy: 2.1357027476144084
Energy: 1.3973662600576242
Energy: 1.4957576938281136
Energy: 1.7256604476779829
Energy: 1.4607373124810643
Energy: 1.8318965619634215
Energy: 1.5846639462759915
Energy: 1.335051106556339
Energy: 1.39841184464294
Energy: 1.7235973341828086
Energy: 1.8317093994037932
Energy: 1.7378365880312425
Energy: 1.3354254742856384
Energy: 1.4691479673677237
Energy: 1.8536521121395433
Energy: 1.4696867709813337
Energy: 1.6452263978158375
Energy: 1.4497970552600925
Energy: 1.5038633250562288
Energy: 1.8529960683435756
Energy: 1.4694817337784507
Energy: 1.569139664927691
Energy: 1.6744197972301738
Energy: 1.5069888289335949

minimum gb energy = 1.335051106556339 eV
minimum distance =  2.47152071661776 Angstroms
sigma value = 41


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

Energy: 2.3825994945332605
Energy: 1.285418462981387
Energy: 1.4602552759457341
Energy: 1.3994368884501218
Energy: 1.2846912607466558
Energy: 2.2991499061474086
Energy: 1.485621070418668
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Energy: 1.2987499238442948
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Energy: 1.3226880107472079
Energy: 1.5092412563185873
Energy: 1.5683291077959078
Energy: 1.923269095127383
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Energy: 1.3213011123665055
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Energy: 2.06633304752741
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Energy: 1.2978389129767178
Energy: 1.2781299246040376
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Energy: 1.3714754012054549
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Energy: 1.439435221423545
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Energy: 1.4791144593440206
Energy: 1.4609559179012865
Energy: 1.6950601340263216
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Energy: 1.3355435425677555
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Energy: 1.6529759902525214
Energy: 1.31869213734153
Energy: 1.6363937992927355
Energy: 1.56563118123308
Energy: 1.4328803425593362
Energy: 1.578323548480451
Energy: 1.3393929327987455
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Energy: 1.6515733478068049
Energy: 1.4777505561333055
Energy: 1.5273791817208897
Energy: 1.3332400185423892
Energy: 1.297181672457005
Energy: 1.5101494285453758
Energy: 1.9386095789201192
Energy: 2.0666160251171752
Energy: 1.3365703915855716
Energy: 1.438037655957766
Energy: 1.4908472014908511
Energy: 1.9530406010895047
Energy: 1.8149949532897451
Energy: 1.337768844775882
Energy: 1.4609967618287028
Energy: 1.5104071558442895
Energy: 1.3982251205605634
Energy: 1.4139706669374832
Energy: 1.4197586092731398
Energy: 1.4797504888441233
Energy: 1.360793733158819
Energy: 1.5610810558740815
Energy: 1.4174692756992753
Energy: 1.440025714743261
Energy: 1.478384832513664
Energy: 1.4501832435689965
Energy: 1.9119549879416795
Energy: 1.3485800809273703
Energy: 1.2733913919347042
Energy: 1.2739436667629533
Energy: 1.4520236406655058
Energy: 1.758439607797497
Energy: 1.3332494239079764
Energy: 1.2937294058107782
Energy: 1.2637951406372234
Energy: 1.345444937707468
Energy: 2.1260056861478778
Energy: 1.364390734538318
Energy: 1.422998641127121
Energy: 1.3928875941930066
Energy: 1.2961794647030154
Energy: 2.1311534597231927
Energy: 1.3698665943729227
Energy: 1.399872020198165
Energy: 1.3938503136522151
Energy: 1.529415581037429
Energy: 1.4813304280838835
Energy: 1.469962109086056
Energy: 1.4014313092252233
Energy: 1.3367899811807007
Energy: 1.6051325744326974
Energy: 1.407185984148296
Energy: 1.4801838560988696
Energy: 1.4105151088970878
Energy: 1.39344787904715
Energy: 1.8810035666482712
Energy: 1.3382849591380535
Energy: 1.3905539594619243
Energy: 1.3692940829418705
Energy: 1.3135579715680803
Energy: 1.674376581286947
Energy: 1.2784964701952204
Energy: 1.3528416012526332
Energy: 1.3495413594519414
Energy: 1.420133724785675

minimum gb energy = 1.253517905024803 eV
minimum distance =  2.5019721593467 Angstroms
sigma value = 185


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

Energy: 0.9413118752535148
Energy: 0.9420525932362518
Energy: 1.979193111383551
Energy: 1.0916261316656828
Energy: 0.6203307153220313
Energy: 0.6211473739073446
Energy: 1.0350472392252663
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Energy: 0.8037834086165538
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Energy: 1.2936654912794494
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Energy: 1.2892300280006705
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Energy: 1.2704634030322883
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Energy: 2.5144803867956447
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Energy: 1.226716247930027
Energy: 2.5209001568418987
Energy: 1.2626144530714811
Energy: 0.7168928122507074
Energy: 0.7266876721262517
Energy: 1.2700930156019612
Energy: 1.2473534494809524
Energy: 1.267988293246044
Energy: 0.6685921516324829
Energy: 0.6685405891681833
Energy: 1.2242462802864402
Energy: 1.2736478210341242
Energy: 1.0095740802874917
Energy: 1.048193882862303
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Energy: 1.2700878443566717
Energy: 1.2650527163723062
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Energy: 1.1328958919787622
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Energy: 1.354811289451303
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Energy: 1.0908508096614509
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Energy: 0.6683580389071367
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Energy: 1.2154727110311931
Energy: 1.1913510661127438
Energy: 1.1211786153274832
Energy: 1.4154463574565794
Energy: 1.9463660199926336
Energy: 1.171482946136023
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Energy: 1.2109679367955442
Energy: 1.3966237706621738
Energy: 1.247048684737471
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Energy: 0.620384587537283
Energy: 1.258095435505944
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Energy: 1.2103216990253418
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Energy: 1.958199166271477
Energy: 1.2810743688105914
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Energy: 0.6199338834111531
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Energy: 1.0482425582894266
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Energy: 0.6685145509151851
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Energy: 0.9067698855475752
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Energy: 1.023311835120198
Energy: 0.9085751296508633
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Energy: 1.2544241212192402
Energy: 1.1203230092793284
Energy: 1.0213113633831015
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Energy: 1.9505333448994147
Energy: 1.1710326865766838
Energy: 0.662994754146642
Energy: 0.6712817614851965
Energy: 1.1187765165570802
Energy: 1.946842596824563
Energy: 1.26236758382148
Energy: 0.6687037945755121
Energy: 0.6686212908666247
Energy: 1.1911982213333245
Energy: 1.9753640535886487
Energy: 0.9937944458255468
Energy: 0.9985041913068317
Energy: 0.6611439043382141
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Energy: 1.2645890607516996
Energy: 1.1062305404126918
Energy: 1.0459253957849184
Energy: 1.0848259390286423
Energy: 1.2653945519097172
Energy: 1.313771917699334
Energy: 1.1035901301939315
Energy: 0.7470239047596184
Energy: 0.9645562118064913
Energy: 2.31082206819356
Energy: 1.2895344492495981
Energy: 1.1582639636087468
Energy: 0.7354394093211518
Energy: 1.0351099259377228
Energy: 2.530717589852121
Energy: 1.1138480917509928
Energy: 0.6688481106873647
Energy: 0.6736073847799346
Energy: 1.0897861461727207
Energy: 1.926798562147995
Energy: 1.2940882637787121
Energy: 0.7536118365040176
Energy: 0.7612774823998523
Energy: 1.2595340968754427
Energy: 1.967325616530064
Energy: 1.126804314135984
Energy: 0.8930244159293429
Energy: 1.0016343969225994
Energy: 1.1062076496594595
Energy: 1.3042669297925935
Energy: 1.0855556364010195
Energy: 0.8996279469131317
Energy: 0.9239847932510535
Energy: 1.278726440655871
Energy: 1.2415467591442526
Energy: 1.0881980167743817
Energy: 0.9419817692439448
Energy: 1.0993026885765487
Energy: 1.3114215076830187
Energy: 1.3205981142690153
Energy: 1.0168475114946662
Energy: 0.6203659039906908
Energy: 1.022236890189807
Energy: 1.7919580782944295
Energy: 1.2827583707336998
Energy: 0.9419827581486132

minimum gb energy = 0.6199338834111531 eV
minimum distance =  2.56085556909443 Angstroms
sigma value = 33


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

Energy: 2.077168398335166
Energy: 1.3296834305041119
Energy: 1.3994760621475115
Energy: 1.359983441836136
Energy: 1.356326670375427
Energy: 1.9984151188058856
Energy: 1.2434350739707556
Energy: 1.3890514964312988
Energy: 1.3871753069654083
Energy: 1.4899372757147695
Energy: 1.197408794501675
Energy: 1.1711156478343823
Energy: 1.2196626570889861
Energy: 1.2066672311373832
Energy: 1.147718272916924
Energy: 1.1538058876603383
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Energy: 1.1784514599985505
Energy: 1.2277073831772205
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Energy: 1.164450853928603
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Energy: 1.1626628332291382
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Energy: 1.1617517725590742
Energy: 1.3631152460323197
Energy: 1.261331564823637
Energy: 1.3114649736060522
Energy: 1.3389837090843137
Energy: 2.0901360909731728
Energy: 1.267308162381132
Energy: 1.2678123050191594
Energy: 1.3631622822479381
Energy: 1.3971164738661237
Energy: 2.090399932632582
Energy: 1.1772781430602584
Energy: 1.1887542524530066
Energy: 1.236958711251619
Energy: 1.125567817474154
Energy: 1.4641432459917458
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Energy: 1.2515494542817145
Energy: 1.2263736505724552
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Energy: 1.1728455716035315
Energy: 1.21270055884466
Energy: 1.2766946431997968
Energy: 1.6666820846161636
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Energy: 1.3124656663316807
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Energy: 1.501232603498219
Energy: 1.382041088078181
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Energy: 1.4514900964786999
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Energy: 1.2746960099766238
Energy: 1.1888873765586085
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Energy: 1.2207530431330422
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Energy: 1.2109003400220313
Energy: 1.2339862099654684
Energy: 1.1582339764597875
Energy: 1.2686507366953204
Energy: 1.4738450245792254
Energy: 1.9283821983742415
Energy: 1.6942137640527317
Energy: 1.202769450974952
Energy: 1.2730127337268553
Energy: 1.4555150897344922
Energy: 1.924402031587909
Energy: 1.4670029579883344
Energy: 1.1588652483982664
Energy: 1.4474355773872825
Energy: 1.5173600233366689
Energy: 1.1955857126603058
Energy: 1.1736255476241346
Energy: 1.4055691279164857
Energy: 1.7704364685254312
Energy: 1.4388967018722212
Energy: 1.323269362595339
Energy: 1.1738801624890693
Energy: 1.3818077638675974
Energy: 1.644082072880918
Energy: 1.3777632814982816
Energy: 1.4280526930600628
Energy: 1.1552880469988966
Energy: 1.1932141819241815
Energy: 1.6142402355465217
Energy: 1.3611496193066879
Energy: 1.4313614226990052
Energy: 1.15769789755769
Energy: 1.1991798741821764
Energy: 1.3789174569887719
Energy: 1.4481278306033059
Energy: 1.9294634455898099
Energy: 1.4827204661759081
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Energy: 1.256550166480993
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Energy: 1.1791382635520107
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Energy: 2.106370552341004
Energy: 1.2275945304557683
Energy: 1.3617720190664084
Energy: 1.2932709491528935
Energy: 1.5542383208796986

minimum gb energy = 1.1143840024250162 eV
minimum distance =  2.42986273460793 Angstroms
sigma value = 219


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

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Energy: 1.5088969442079747
Energy: 1.6842614647659275
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Energy: 1.7816821026432759
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Energy: 1.6447177609113586
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Energy: 1.395749680185394
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Energy: 1.6641371027039937
Energy: 1.452080367104009
Energy: 1.6931428706555096
Energy: 1.4263880336464823
Energy: 1.4397476022859452

minimum gb energy = 1.3571925284607698 eV
minimum distance =  2.51349128139577 Angstroms
sigma value = 15


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

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Energy: 1.9299302598604748
Energy: 1.7956844761190818
Energy: 1.7586896089409412
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Energy: 1.9824412304703132
Energy: 1.6203294948969595
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Energy: 1.6518687711453874
Energy: 1.5555170810004402
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minimum gb energy = 1.5171817763966695 eV
minimum distance =  2.48635259724994 Angstroms
sigma value = 293


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

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Energy: 1.7892787688380434
Energy: 1.6186149897501645
Energy: 1.8240381056416324
Energy: 1.8260197940174148
Energy: 1.6750836165276792
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Energy: 1.6055107232187726
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Energy: 1.9475688148017387
Energy: 1.640670403770935
Energy: 1.6059764977645787
Energy: 1.657837480755154
Energy: 1.8881244246659548
Energy: 1.5518185424427229
Energy: 1.5271637730999397
Energy: 1.5077333771769064
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Energy: 1.8886283905219332
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Energy: 1.515962556466551
Energy: 1.507134970093087
Energy: 2.1312977565945976
Energy: 2.516083064058193
Energy: 1.7946286388761121
Energy: 1.671259482231138
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Energy: 2.1369443752861317
Energy: 2.515864157862591
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Energy: 1.6638076121758818
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Energy: 1.6155501342799998
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Energy: 2.182571426782719
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Energy: 1.6740916820166225
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Energy: 1.9268796422434789
Energy: 1.7981134531097405
Energy: 1.593654941592278
Energy: 1.6184075316195592
Energy: 1.646432401539765
Energy: 1.794257802826276
Energy: 1.624145403745884
Energy: 2.0272624023803334
Energy: 2.0915670440857803
Energy: 1.6868048490949406
Energy: 1.644555119886632
Energy: 1.6256506852321404
Energy: 2.0092215671663594
Energy: 2.088724237337463
Energy: 1.810791856080201
Energy: 1.6670434783613524
Energy: 1.5947998110942483
Energy: 1.6809603823376884
Energy: 2.0900895526100243
Energy: 1.8221950397131215
Energy: 1.6636287167140482
Energy: 1.5817868943825741
Energy: 1.6376434703089127
Energy: 2.0895041268563586
Energy: 1.5288314232784177
Energy: 1.5793838073434185
Energy: 1.7781271306944306
Energy: 1.691820812316045
Energy: 1.5518297867604989
Energy: 1.528401958093339
Energy: 1.5822409252133136
Energy: 1.7398316103154157
Energy: 1.6916579839047785
Energy: 1.552288681522081
Energy: 1.7325658869197298
Energy: 1.799911489363978
Energy: 1.7951754493068148
Energy: 2.5487131265338885
Energy: 2.255975299821826
Energy: 1.735434572713737
Energy: 1.8142973595672043
Energy: 1.7951440014076319
Energy: 2.5476135244399147
Energy: 1.8861753265114694
Energy: 1.5289701647894816
Energy: 1.5196759355250256
Energy: 1.5519816439147884
Energy: 1.8902872490084246
Energy: 1.6901759881186396
Energy: 1.5168498173182587
Energy: 1.5206700735918879
Energy: 1.5521501272117733
Energy: 1.8903960030090283
Energy: 1.6574338873350216
Energy: 1.8189998373124472
Energy: 1.6780408276608563
Energy: 1.9537171611995845
Energy: 1.865053919627688
Energy: 1.6297073118957333
Energy: 1.6635201575911176
Energy: 1.7004989675761744
Energy: 1.9585511723916473
Energy: 1.6174520297384416
Energy: 1.6301927978052118
Energy: 2.0053343306824774
Energy: 1.8533218229265989
Energy: 1.8882526561374333
Energy: 1.9179773032237564
Energy: 1.8234922512438736
Energy: 2.0036849422365166
Energy: 1.7736556617633903
Energy: 1.887089164552716
Energy: 1.9571875889474972
Energy: 1.9211787720494216

minimum gb energy = 1.504508509324186 eV
minimum distance =  2.46265307715321 Angstroms
sigma value = 293


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

Energy: 1.3462743658338674
Energy: 1.3475562738660734
Energy: 1.8919160018811645
Energy: 1.880659950685914
Energy: 1.3477296187531136
Energy: 1.3479307432641925
Energy: 1.6880331028743372
Energy: 1.877159690643626
Energy: 1.9166852068056697
Energy: 1.3482291606190242
Energy: 1.3484593980850397
Energy: 1.7102565786492887
Energy: 1.370699907217871
Energy: 1.63423855718925
Energy: 1.9226589901638074
Energy: 1.818835536985254
Energy: 1.7109446019767778
Energy: 1.6587007023290505
Energy: 1.8837105502651457
Energy: 1.8934986106750604
Energy: 1.3720640310076413
Energy: 1.6382213212364842
Energy: 1.6221441146299325
Energy: 1.6249977215670337
Energy: 1.7002483805706745
Energy: 1.6381588506465714
Energy: 1.6627028401768111
Energy: 1.6225888405819842
Energy: 1.8781597493880748
Energy: 1.9192433125396895
Energy: 1.8747516659139778
Energy: 1.3479429669966063
Energy: 1.347422108302603
Energy: 1.3717415263932455
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Energy: 1.8755869409051051
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Energy: 1.3580777482382551
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Energy: 1.3478496067889278
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Energy: 1.873352404165375
Energy: 1.9208728176195107
Energy: 1.8870559020837572
Energy: 1.7838176931118048
Energy: 1.6632478270436888
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Energy: 1.4020403623560205
Energy: 1.7271496455780382
Energy: 1.361105766393654
Energy: 1.6664456218930623
Energy: 1.6684388951434719
Energy: 1.8511365028771527
Energy: 1.7272729375165459
Energy: 1.3590426851218955
Energy: 1.6693471824219268
Energy: 1.6638955837705987
Energy: 1.9105786127350584
Energy: 1.8332814647288163
Energy: 1.6997438774796614
Energy: 1.6243956327612947
Energy: 1.347446709216407
Energy: 1.347739828700487
Energy: 1.7246485724924852
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Energy: 1.3472608580837204
Energy: 1.3477889939208638
Energy: 1.6220834716762518
Energy: 1.6208521683105472
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Energy: 1.634381491138193
Energy: 1.6352200186414925
Energy: 1.3472888910797387
Energy: 1.801041654115701
Energy: 1.7069571840991349
Energy: 1.3722521428189425
Energy: 1.7948715511873616
Energy: 1.8915337520250755
Energy: 1.6380388666316799
Energy: 1.7098136858064665
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Energy: 1.348255577496974
Energy: 1.7523908980723724
Energy: 1.4748049997067754
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Energy: 1.754271536355747
Energy: 1.6227020218283508
Energy: 1.7267725829271476
Energy: 1.7803380793046446
Energy: 1.3465540680435357
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Energy: 1.8913439995473518
Energy: 1.8804018239625375
Energy: 1.3480749670637862
Energy: 1.348185996698086
Energy: 1.7377930261797367
Energy: 1.625188521945392
Energy: 1.9176214147107296
Energy: 1.3480178243481766
Energy: 1.7255905213252278
Energy: 1.6227117181262973
Energy: 1.3700051174397196
Energy: 1.6346916144109889
Energy: 1.9230696878856173
Energy: 1.7261886490528355
Energy: 1.7109189043344388
Energy: 1.6585256405013054
Energy: 1.922093744959854
Energy: 1.9445181213859528
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Energy: 1.3705928875794535
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Energy: 1.6218995379241576
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Energy: 1.8748767902602195
Energy: 1.3476430769013006
Energy: 1.347556808477389
Energy: 1.3714563282568841
Energy: 1.8767217236093043
Energy: 1.8756606589514182
Energy: 1.3477924289749958
Energy: 1.3477199977809808
Energy: 1.375600038509558
Energy: 1.6993964655532583
Energy: 1.971050506893026
Energy: 1.347686182954869
Energy: 1.3479754256706824
Energy: 1.7186064962476983
Energy: 1.6224641411896372
Energy: 2.0051379020399853
Energy: 1.3475097427215381
Energy: 1.3476785526170711
Energy: 1.719030474393
Energy: 1.873352104907084
Energy: 1.921443523123457
Energy: 1.8924434208522407
Energy: 1.7850052022561052
Energy: 1.665361862035718
Energy: 1.6581284543849026
Energy: 1.9221631703947095
Energy: 1.877190682901519
Energy: 1.6690435465541573
Energy: 1.7408435560382203
Energy: 1.403274844316914
Energy: 1.726781117982903
Energy: 1.3614158851833242
Energy: 1.6668858569664848
Energy: 1.6391794735605876
Energy: 1.8511112124106044
Energy: 1.7268505510191312
Energy: 1.3587421517792206
Energy: 1.666929728396131
Energy: 1.6643549752390991
Energy: 1.8508422109887361
Energy: 1.833390915223109
Energy: 1.753663711873936
Energy: 1.625385667815784
Energy: 1.347388812911144
Energy: 1.3476065824643324
Energy: 1.7248249977600303
Energy: 1.7549131934402171
Energy: 1.3725238756798668
Energy: 1.3471664046434841
Energy: 1.347769499021383
Energy: 1.6223395694414275
Energy: 1.6209715864499805
Energy: 1.6351598333579946
Energy: 1.3479836629019262
Energy: 1.8258536484012453
Energy: 1.6226248924165445
Energy: 1.6338524832580823
Energy: 1.6365030605876687
Energy: 1.3485200100336538
Energy: 1.623539282523737
Energy: 1.7102797527396814
Energy: 1.3721404542948692
Energy: 1.7944989857803346
Energy: 1.72482644551479
Energy: 1.670866665737986
Energy: 1.711316436960888
Energy: 1.3712680153414987
Energy: 1.7943032454762937
Energy: 1.6746117893964492
Energy: 1.6631374022651593
Energy: 1.3482833555447968
Energy: 1.752403356896329
Energy: 1.478651501571808
Energy: 1.7271535508759122
Energy: 1.8268348560924175
Energy: 1.347770045180644
Energy: 1.753161395095021
Energy: 1.622913276227777
Energy: 1.726973236527988
Energy: 1.7814160518459812

minimum gb energy = 1.3462743658338674 eV
minimum distance =  2.48910046595666 Angstroms
sigma value = 15


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

Energy: 2.5178292731718535
Energy: 2.059934072249002
Energy: 2.043940964446376
Energy: 1.9524524535511643
Energy: 2.013227845196738
Energy: 2.455939063577311
Energy: 2.0750444044443643
Energy: 1.9720767802280692
Energy: 1.9466845945263014
Energy: 2.2315607722002966
Energy: 1.8326044628654257
Energy: 1.8201862166174443
Energy: 1.5723329598577758
Energy: 1.5518331675270722
Energy: 1.932111422952226
Energy: 1.8087718963839774
Energy: 1.807249644005741
Energy: 1.5613801490112045
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Energy: 1.9318463707520042
Energy: 1.8123633041167992
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Energy: 1.7589210917111802
Energy: 1.708219232063426
Energy: 1.6852716408449377
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Energy: 1.862617988012998
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Energy: 1.6623847526565865
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Energy: 2.062879722070281
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Energy: 1.973500144386672
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Energy: 1.6581061264845642
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Energy: 1.680291852661104
Energy: 1.6844861428988473
Energy: 1.8398255190233133
Energy: 1.67990469536764
Energy: 1.8683902769334266
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Energy: 1.7257174419381023
Energy: 1.6678364911204386
Energy: 1.893753642462384
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Energy: 1.904225670773745
Energy: 1.897505868671515
Energy: 1.693225314794099
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Energy: 1.8302576228373815
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Energy: 1.6434213921108405
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Energy: 1.7879794716041202
Energy: 1.765420547440945
Energy: 1.7531944112038569
Energy: 1.7910318989418452
Energy: 1.6551880286501846
Energy: 1.7782451727160538
Energy: 1.766343511141317
Energy: 1.739064587210663
Energy: 1.795980140926152
Energy: 1.9903884302197363
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Energy: 1.7301226502988252
Energy: 1.929025257776405
Energy: 1.8675737153192709
Energy: 1.9662634069273228
Energy: 1.7920026280484431
Energy: 1.7397463201681325
Energy: 1.974143465640151
Energy: 1.8557355301951888
Energy: 1.94538753345348
Energy: 1.9042316836376127
Energy: 2.027413920814066
Energy: 2.095059796861394
Energy: 2.2022448980136646
Energy: 1.8731950491289142
Energy: 1.9162299125377178
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Energy: 2.09526730374043
Energy: 2.201060737493403
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Energy: 1.8348823178882239
Energy: 1.8878161390320076
Energy: 1.5737140175707827
Energy: 1.6621508017522792
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Energy: 1.819267480482091
Energy: 1.9280868620879394
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Energy: 1.7217355163385928
Energy: 1.9937545371298317
Energy: 1.8712508159413754
Energy: 1.510243505128325
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Energy: 1.7313073413161255
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Energy: 1.8226432969461013
Energy: 1.498981856598205
Energy: 1.5577156083871757
Energy: 1.778444381613125
Energy: 2.232001990009266
Energy: 1.7440470349059765
Energy: 1.5520701784690156
Energy: 1.5422888434845772
Energy: 1.956631977352933
Energy: 2.1761460402818193
Energy: 1.732735851599997
Energy: 1.5192241769039587
Energy: 1.5426556983341795
Energy: 1.8534116051797025
Energy: 1.8506174341636403
Energy: 2.0312195747141333
Energy: 1.6903783087791295
Energy: 1.9433380109040177
Energy: 2.015469447853072
Energy: 1.8665270579202449
Energy: 2.0118246884809823
Energy: 1.922039025821871
Energy: 2.0398039414872304
Energy: 1.6155711956717957
Energy: 1.6817349409547566
Energy: 1.7866271609302338
Energy: 1.9173980076639165
Energy: 1.7889143538442445
Energy: 1.597520699332077
Energy: 1.6828565879831807
Energy: 1.7816305937571943
Energy: 1.9167402787430297
Energy: 1.812120878845071
Energy: 1.5760205735591009
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Energy: 1.986063990708578
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Energy: 1.5592463557259004
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Energy: 1.954071179514474
Energy: 1.6567980190353766
Energy: 1.679370669068355
Energy: 1.736814206875659
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Energy: 1.846204213098815
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Energy: 2.045153337730221
Energy: 2.028915481463395
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Energy: 1.9036435684998316
Energy: 1.9826275106058613
Energy: 1.847558949036364
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Energy: 1.8945326963438684
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Energy: 1.5715017590051132
Energy: 1.776242503636602
Energy: 1.9624723637618262
Energy: 1.8262909568723957
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Energy: 1.859679741531159
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Energy: 1.7930793297832477
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Energy: 1.8290688723021162
Energy: 1.8538279447990682
Energy: 1.9739299038949965
Energy: 1.8444883256749025
Energy: 1.6750614102139882
Energy: 1.8519880121095855
Energy: 1.8556798539262107
Energy: 2.1201033031287655
Energy: 1.827336819261487
Energy: 1.6695628362462025
Energy: 2.069419778516706
Energy: 2.2240835774702723
Energy: 2.132004856275525
Energy: 2.000854336530996
Energy: 1.9597043672050611
Energy: 2.05935081067337
Energy: 2.094339308699489
Energy: 2.0097939689242454
Energy: 1.9515921625291683
Energy: 1.9162751379589118
Energy: 1.9655710005999378
Energy: 1.5804183417501732
Energy: 1.846776800004223
Energy: 1.97039121682663
Energy: 1.9132783186832751
Energy: 1.949833780209982
Energy: 1.5315370522314293
Energy: 1.8240280507605677
Energy: 2.0025851064497124
Energy: 1.9124224038907633
Energy: 1.6980906500036437
Energy: 1.4995294980595242
Energy: 1.6598695209555094
Energy: 1.8473460223081124
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Energy: 1.6223612659424433
Energy: 1.4900124147430545
Energy: 1.6593913357028445
Energy: 1.8072698186652152
Energy: 1.9526889285614009
Energy: 1.7066651246195
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Energy: 1.6532429751531867
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Energy: 1.9914899451253059
Energy: 1.7268426544427464
Energy: 1.5274828405993772
Energy: 1.6902158112894712
Energy: 2.1149868578998654
Energy: 1.7822770481361212
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Energy: 2.176501918463541
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Energy: 1.9714926834845525
Energy: 1.9770037495688424
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Energy: 2.0621074558516375
Energy: 1.9074301605871458
Energy: 2.012117377983629
Energy: 1.9444321022449407
Energy: 1.817975693977711
Energy: 1.581466833934983
Energy: 1.7222723853884325
Energy: 2.0520390881238653
Energy: 1.919677089902729
Energy: 1.652592585745989
Energy: 1.5522590392908189
Energy: 1.690544983376244
Energy: 1.9699821324219327
Energy: 1.9243098259116225
Energy: 1.6381803700541246
Energy: 1.5300400398382954
Energy: 1.7252522350274606
Energy: 1.9600530067784012
Energy: 1.900243163522992
Energy: 1.6499132566876218
Energy: 1.5295435835480982
Energy: 1.7760694303182807
Energy: 1.6812929402910595
Energy: 2.004697439645477
Energy: 1.7038374913072825
Energy: 1.5989653065941367
Energy: 1.8839523933435625
Energy: 1.6818168726606664
Energy: 1.8987935090667345
Energy: 1.7198690412024313
Energy: 1.6229293287428144
Energy: 1.6753092474602524
Energy: 1.9054947605293717
Energy: 1.9958491681643913
Energy: 1.6620981051261798
Energy: 1.9435833717141273
Energy: 1.9983893308132157
Energy: 1.9306125043586055
Energy: 2.054642848163288
Energy: 2.0915967259038752
Energy: 2.0680582911223917
Energy: 2.0152505799814024
Energy: 1.5392954105028693
Energy: 1.8902064957527132
Energy: 2.2299412876208744
Energy: 1.9286579039242495
Energy: 1.684358885182578
Energy: 1.5408695101980696
Energy: 1.8926871290678873
Energy: 2.097657843054452
Energy: 1.8522453924556774
Energy: 1.6459187383395797
Energy: 1.583391720884085
Energy: 1.7907366976560122
Energy: 1.7909191137182356
Energy: 1.7447076942539048
Energy: 1.8079720240914297
Energy: 1.5352084096686351
Energy: 1.797943957659408
Energy: 1.7949526654996382
Energy: 1.7561196337364258
Energy: 1.7338130505195533
Energy: 1.9944931473505874
Energy: 1.781306897056328
Energy: 1.697825205908069
Energy: 1.9537865972864594
Energy: 1.757276163952188
Energy: 1.9935472333884772
Energy: 1.7588693422106088
Energy: 1.7504232184071657
Energy: 1.9585769437273182
Energy: 1.8582111099578378
Energy: 1.9281120449294606
Energy: 1.9573464889978254
Energy: 1.9881839599926348
Energy: 2.097538788208641
Energy: 2.198913776781418
Energy: 2.0742061805636705
Energy: 1.9521925279425136
Energy: 2.0091291734890624
Energy: 2.0942602088042155
Energy: 2.1983161840161682
Energy: 1.8371374014405522
Energy: 1.9385766070144976
Energy: 1.8471213337813106
Energy: 2.040305555753377
Energy: 1.6589202704956179
Energy: 1.8075756610840215
Energy: 1.9382691754312078
Energy: 1.8737604780040833
Energy: 2.036549769703211
Energy: 1.7137480704313997
Energy: 1.7024731204700319
Energy: 1.9770770874720618
Energy: 1.8267284130825228
Energy: 1.519977922967919
Energy: 1.5409344672949497
Energy: 1.752264468035187
Energy: 2.001861187757778
Energy: 1.8165629389398463
Energy: 1.5244947013738939
Energy: 1.5593969986738412
Energy: 1.8661645232408732
Energy: 2.1739785841616284
Energy: 1.8174389739903527
Energy: 1.5271183373827875
Energy: 1.5410627936757382
Energy: 1.874908749454141
Energy: 2.168139179876685
Energy: 1.730094654502588
Energy: 1.5392552497394723
Energy: 1.5558254576989914
Energy: 1.929746643903441
Energy: 2.1132795162575
Energy: 2.021130400505927
Energy: 1.780132832191854
Energy: 2.0085303455408487
Energy: 1.9252600450043353
Energy: 2.113577167507729
Energy: 1.9247391216761345
Energy: 1.7905663673062786
Energy: 2.0187122009606053
Energy: 1.5910907558068885
Energy: 1.7091924202231068
Energy: 1.7881610131372498
Energy: 1.9088360377831737
Energy: 1.8156461375038462
Energy: 1.5940589762064183
Energy: 1.6800786185806047
Energy: 1.806665403249355
Energy: 1.9143385058422504
Energy: 1.725178143924254
Energy: 1.5722005385768285
Energy: 1.5089093317195543
Energy: 1.7966473834006296
Energy: 2.018618873110157
Energy: 1.6848523455590656
Energy: 1.5283003832824773
Energy: 1.5424219772144192
Energy: 1.8051751497908683
Energy: 1.9859649995875834
Energy: 1.6797685650978995
Energy: 1.605941278414893
Energy: 1.6558563156468142
Energy: 1.6943861005434218
Energy: 1.7228795361487017
Energy: 1.7817523905239034
Energy: 1.5917973826890135
Energy: 1.6866660996040082
Energy: 1.6892886802734515
Energy: 1.7680145810330898
Energy: 1.8125001660404783
Energy: 2.5233732610062765
Energy: 2.045297049997206
Energy: 2.0230096231818395
Energy: 1.9405932681758735
Energy: 2.037289698398493
Energy: 2.4633868828156094
Energy: 1.9610555890211114
Energy: 2.0421994178690186
Energy: 1.9584381160797464
Energy: 2.094468509685407

minimum gb energy = 1.4802710191547919 eV
minimum distance =  2.44377020414882 Angstroms
sigma value = 437


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

Energy: 1.901766072423134
Energy: 2.1265237373420702
Energy: 2.045611384954478
Energy: 1.9397020104727447
Energy: 2.1286645789477014
Energy: 1.903308807145485
Energy: 2.160603081880006
Energy: 2.0446982546203265
Energy: 1.9097904423068528
Energy: 2.2311534701884854
Energy: 1.7689719741478092
Energy: 1.8461548674060428
Energy: 1.6754154433168784
Energy: 1.721936925056773
Energy: 1.6782347694418132
Energy: 1.6311072780777849
Energy: 1.8556259106464013
Energy: 1.6496879601287613
Energy: 1.88714441041852
Energy: 1.6643202479222703
Energy: 1.578411315270557
Energy: 1.5226397291041904
Energy: 1.87968043199789
Energy: 1.6717126529372095
Energy: 1.5136309196420337
Energy: 1.5776426306258737
Energy: 1.561843922620748
Energy: 1.877190943586721
Energy: 1.6577461544904764
Energy: 1.5226549186615446
Energy: 1.5571846602012356
Energy: 1.7036092274771335
Energy: 2.0834111782584035
Energy: 1.784829957435162
Energy: 1.5375631776378567
Energy: 1.564344271619605
Energy: 1.8155691702409877
Energy: 2.1025374217086212
Energy: 1.7281628479113087
Energy: 1.5370248768105828
Energy: 1.998184005976332
Energy: 1.945641451886113
Energy: 1.8339902548048346
Energy: 1.719920727980581
Energy: 1.7477114315784295
Energy: 1.8509624405164053
Energy: 1.9446484432228095
Energy: 1.763043762005532
Energy: 1.7366989432856776
Energy: 1.7609276021529574
Energy: 1.6502633363541823
Energy: 1.6421766068410266
Energy: 1.7902381124441342
Energy: 1.709854880796818
Energy: 1.9051307182295325
Energy: 1.7140555701586546
Energy: 1.6416911684383655
Energy: 1.789523130895829
Energy: 1.8383111166839043
Energy: 1.9047478112936989
Energy: 1.5946341388027956
Energy: 1.553614932847038
Energy: 1.5589984343205825
Energy: 1.8478320357650435
Energy: 1.844136853658794
Energy: 1.5918419042974479
Energy: 1.5563503301754733
Energy: 1.5565040357938211
Energy: 1.8607556183933167
Energy: 1.8473003783665913
Energy: 1.5627596522301979
Energy: 1.608700163019877
Energy: 1.5454461171600653
Energy: 1.798506254019419
Energy: 1.821683375198068
Energy: 1.5606852428076097
Energy: 1.6379583003757563
Energy: 1.5814557284533697
Energy: 1.78606150771356
Energy: 1.8292479495884315
Energy: 1.8465174108534983
Energy: 2.186766160791709
Energy: 1.9820298114415293
Energy: 1.971822221403359
Energy: 1.812940686479565
Energy: 1.8353513132623926
Energy: 2.1631078062992057
Energy: 1.9784319274210138
Energy: 1.9560849082646563
Energy: 1.7582717391644143
Energy: 1.9822714688367282
Energy: 1.924524691548782
Energy: 1.941353731168384
Energy: 1.8886913915341867
Energy: 1.9475651782481456
Energy: 1.9316090103194974
Energy: 1.9214424330389754
Energy: 1.8064584661889695
Energy: 1.987182933627977
Energy: 1.9269622072255743
Energy: 1.4210761040338153
Energy: 1.611192006070125
Energy: 1.6767526094904304
Energy: 2.006462105751466
Energy: 1.9189570898699013
Energy: 1.419111078921451
Energy: 1.588674362649559
Energy: 1.6645285513026333
Energy: 1.9154573486517246
Energy: 1.7614071497111377
Energy: 1.4209246514071587
Energy: 1.4322440810905277
Energy: 1.5313110156938272
Energy: 2.020240980085968
Energy: 1.6297041280871052
Energy: 1.4203462766364299
Energy: 1.4207829526284308
Energy: 1.740907431306139
Energy: 2.022107215014026
Energy: 1.5870257717767124
Energy: 1.5023484541583019
Energy: 1.4276602550533877
Energy: 1.8058510405922699
Energy: 1.8173103513248787
Energy: 1.6658908571383313
Energy: 1.5116801832977882
Energy: 1.4281321386919652
Energy: 1.771948813592283
Energy: 1.847638199335517
Energy: 1.6649942211822264
Energy: 2.4507006888201452
Energy: 2.1787191816886704
Energy: 2.077082254796991
Energy: 1.9281122005370646
Energy: 1.4422255010210077
Energy: 2.4508077314590087
Energy: 2.1111094279966838
Energy: 2.03991131577209
Energy: 1.9293225941820165
Energy: 1.6095431568193435

minimum gb energy = 1.419111078921451 eV
minimum distance =  2.49267142862293 Angstroms
sigma value = 33