Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6582963466644287
cohesive_energy=4.015220655245625
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015147880082150376
Energy: 1.164947716344472
Energy: 0.015147880082150376
Energy: 1.1649477163441655
Energy: 0.015147880081537914
Energy: 1.164947716344472
Energy: 1.1649477163438593
Energy: 0.01604667848208626
Energy: 1.1649477163438593
Energy: 0.016046678484161813
Energy: 1.1649477163441655
Energy: 0.016046678484468044
Energy: 0.015147880081844145
Energy: 1.1649477163441655
Energy: 0.015147880082456603
Energy: 1.1649477163441655
Energy: 0.015147880082150376
Energy: 1.1649477163441655
Energy: 1.1649477163441655
Energy: 0.016046678488074742
Energy: 1.1649477163441655
Energy: 0.0160466784850805
Energy: 1.164947716344472
Energy: 0.01604667848565893
Energy: 0.015147880081265712
Energy: 1.164947716344472
Energy: 0.015147880080959485
Energy: 1.1649477163441655
Energy: 0.015147880082150376
Energy: 1.164947716344472
Energy: 1.1649477163450503
Energy: 0.01604667848477427
Energy: 1.1649477163450503
Energy: 0.016046678485965162
Energy: 1.1649477163438593
Energy: 0.01604667848776851

minimum gb energy = 0.015147880080959485 eV
minimum distance =  2.58261323991552 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.9280694648284118
Energy: 0.7280858990069318
Energy: 0.9280694648232518
Energy: 0.7280858982052688
Energy: 0.9280694648254633
Energy: 0.7280858921885408
Energy: 1.101845386377634
Energy: 0.5742268280498565
Energy: 1.101845356505417
Energy: 0.5742268267987447
Energy: 1.1018452938948176
Energy: 0.5742268039895119
Energy: 0.7960138261540458
Energy: 0.8474229904376214
Energy: 0.7960138261547829
Energy: 0.8474229904427812
Energy: 0.7960138261555201
Energy: 0.84742299043541
Energy: 0.9089094899822076
Energy: 0.728904057279578
Energy: 0.9089094899652537
Energy: 0.7289040572862122
Energy: 0.9089094899748363
Energy: 0.7289040572773665
Energy: 0.7699835183745254
Energy: -2.1238389911449
Energy: 0.7699835073217213
Energy: -1.8798373894073706
Energy: 0.7699834713502844
Energy: -3.880714165801713
Energy: 0.8922284232670019
Energy: 0.7074138486226235
Energy: 0.8922284232699506
Energy: 0.707413845074948
Energy: 0.8922284232765847
Energy: 0.7074138294878526
Energy: 0.7987440392909231
Energy: 0.892809542788809
Energy: -1.632097867294066
Energy: 0.8928095427939688
Energy: -2.7958655239398853
Energy: 0.892809542760798
Energy: 0.7064147986178332
Energy: 0.9928558169686428
Energy: 0.7064147963610073
Energy: 0.9928558169627456
Energy: 0.7064147801019839
Energy: 0.9928558169693797
Energy: 0.8782707461265501
Energy: 0.8811560926105977
Energy: 0.8782697218232838
Energy: 0.8811560843915246
Energy: 0.8782649050083924
Energy: 0.881156020806908
Energy: 0.6363340865199553
Energy: -2.7469564787085266
Energy: 0.6363340865199553
Energy: -2.7251076228031312
Energy: 0.6363340865133211
Energy: -2.762967681428782
Energy: -2.975352308279803
Energy: 0.7061406925585227
Energy: -3.1506977618599885
Energy: 0.7061406925526258
Energy: -4.058050621920674
Energy: 0.7061406925548371
Energy: 0.5627242533656949
Energy: -4.841814503773324
Energy: 0.5627242533664321
Energy: -4.56182373178336
Energy: 0.5627242533649578
Energy: -4.077049961890712
Energy: 0.986398276192251
Energy: 0.5247127539638649
Energy: 0.9863982613044245
Energy: 0.5247127539609163
Energy: 0.9863982337487407
Energy: 0.5247127539631277
Energy: 0.7441990462113833
Energy: 0.7045854245025207
Energy: 0.7441990462040119
Energy: 0.7045846387024808
Energy: 0.7441990462062233
Energy: 0.7045782204853867
Energy: -2.260633428574193
Energy: 0.6134481623539847
Energy: -4.006931390377031
Energy: 0.6134481623480877
Energy: -4.127426107983188
Energy: 0.6134481623495619
Energy: 1.0482004882906655
Energy: 0.8442743572290249
Energy: 1.0482004883017222
Energy: 0.8442743543467104
Energy: 1.0482004883017222
Energy: 0.8442743430971593
Energy: 0.8531721384685801
Energy: 0.81214477306142
Energy: 0.8531721384818486
Energy: 0.8121447730665801
Energy: 0.8531721384892198
Energy: 0.8121447730739513
Energy: -5.637236759078355
Energy: 0.7507497549385042
Energy: -4.871876371459797
Energy: 0.7507497501832078
Energy: -5.1942727528228305
Energy: 0.7507497077470017
Energy: 0.608982458774229
Energy: 0.7730058119725134
Energy: 0.6089824486527559
Energy: 0.7730058114995435
Energy: 0.6089824352621086
Energy: 0.7730058104642772
Energy: 0.8472414479614319
Energy: 0.7489127765458892
Energy: 0.847234502981503
Energy: 0.7489127765598946
Energy: 0.8472295204462524
Energy: 0.7489127765886427
Energy: 0.6237485780826827
Energy: -4.543849786232695
Energy: 0.6237485780775227
Energy: -5.159883352902321
Energy: 0.6237485779994539
Energy: -5.188012131427943
Energy: 0.8155371288694581
Energy: 0.9074833745700169
Energy: 0.8155371243005887
Energy: 0.9074833745663314
Energy: 0.8155370907649666
Energy: 0.9074833745670685
Energy: 0.4177690022084366
Energy: 1.0555251254901408
Energy: 0.4177690021929569
Energy: 1.0555251252558673
Energy: 0.41776900220180246
Energy: 1.0555251214487889

minimum gb energy = -5.637236759078355 eV
minimum distance =  2.28710732851202 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.0536771561806022
Energy: 0.9440243879483979
Energy: 1.008919652591197
Energy: 0.9440243879609382
Energy: 1.0536771561747322
Energy: 0.9440243879521716
Energy: 1.002936629915666
Energy: 0.7770769662822289
Energy: 1.0029365957165528
Energy: 0.7770769662792939
Energy: 1.002936445748163
Energy: 0.7770769662792939
Energy: 0.7006257648920559
Energy: -3.286250280680734
Energy: 0.7006257648903786
Energy: -3.2589024481604674
Energy: 0.7006257648887015
Energy: -2.053573899912628
Energy: 0.996743952828425
Energy: 1.0196859528702478
Energy: 0.9967439528259096
Energy: 1.0196859528694093
Energy: 0.9967439528259096
Energy: 1.0196859528681514
Energy: 0.8472638194201483
Energy: 0.8855025541756479
Energy: 0.8472638374523869
Energy: 0.8855025541345588
Energy: 0.8472638348850379
Energy: 0.8855025540482259
Energy: -2.5343895195212487
Energy: -1.73024492474494
Energy: -1.8891381142556325
Energy: -1.7575847728048697
Energy: -2.9357511132082896
Energy: -2.521063096701252
Energy: 1.0386321631145015
Energy: 0.9963572390200618
Energy: 1.038632163176974
Energy: 0.9963572390099992
Energy: 1.0386321629087507
Energy: 0.996357238991551
Energy: 0.5260962296815012
Energy: 1.0564412377167929
Energy: 0.5260962296869517
Energy: 1.0564411692138242
Energy: 0.5260962296856938
Energy: 1.05644040582091
Energy: 0.6287820975372769
Energy: 0.6967385493996925
Energy: 0.6287820975351804
Energy: 0.6967385494022081
Energy: 0.6287820975381155
Energy: 0.6967385494022081
Energy: 0.6136873987220025
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Energy: 0.6136818751626408
Energy: 1.0305583673961995
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Energy: 1.0576607663276214
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Energy: 0.691615817794639
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Energy: 0.6916158177301083
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Energy: 1.0130096246767089
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Energy: 0.7841219904543505
Energy: 0.9203663847366129
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Energy: 0.7841219904581238
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Energy: 0.7831126709016564
Energy: -2.793220377681305
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Energy: 0.783112670901237
Energy: 1.048572805766715
Energy: 0.8563092655667519
Energy: 1.0485728057641996
Energy: 0.8563005065539403
Energy: 1.0485728057704886
Energy: 0.8562751918103167
Energy: -2.757966597793882
Energy: -2.3346999321726587
Energy: -2.291623882310158
Energy: -2.632165678323635
Energy: -2.333853120981019
Energy: -2.3431582471293306
Energy: 0.7344034118667955
Energy: -3.524644246528865
Energy: 0.734403411861764
Energy: -3.546773334700321
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Energy: 0.9784678927954389
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Energy: -1.4354731700355603
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Energy: 0.6085996068400809
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Energy: 0.8651441060905822
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Energy: 0.9607659429041385
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Energy: -1.863404189741076
Energy: 0.7006414669367642
Energy: -2.1574982059899632
Energy: 0.7009332602191529
Energy: -2.0973147721801593
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Energy: 0.973466821325301
Energy: 1.0102083462195657
Energy: 0.9734641343288288
Energy: 1.052354917410098
Energy: 0.9734422563566182
Energy: 1.0537868704312185
Energy: 0.9962454853886824
Energy: 1.0086532720963046
Energy: 0.9962441611802118
Energy: 1.0537868702434583
Energy: 0.99621547259755
Energy: 0.7003289365106498
Energy: 0.8106666884157285
Energy: 0.7003289365068763
Energy: 0.8106666884111164
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Energy: 0.810666688411955
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Energy: 0.7741315029943202
Energy: 1.0363308937703979
Energy: 0.7741315029846768
Energy: 1.0363308937607545
Energy: 0.7741315029746142
Energy: 0.6088010995672962
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Energy: 0.6088010995626841
Energy: 1.013210404237759
Energy: 0.6088010995647806
Energy: 1.0132104042356624
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Energy: -2.5757363061421437
Energy: -2.71877760981599
Energy: -2.716260828828796
Energy: -2.252935811491202
Energy: -2.5754595208983546
Energy: 0.621771562959224
Energy: 1.0177536104287344
Energy: 0.6217715629588048
Energy: 1.0177535347392008
Energy: 0.6217715629575468
Energy: 1.0177531174267023
Energy: 0.949413360383426
Energy: 0.9974050080935472
Energy: 0.9494133603876188
Energy: 0.9974050080830652
Energy: 0.9494133603917736
Energy: 0.9974050080855809
Energy: 0.7790124066207437
Energy: -2.5562970248228503
Energy: 0.7790124066240978
Energy: -1.9002295165601628
Energy: 0.7790124066249364
Energy: -1.601871367616748
Energy: -2.6069441937875615
Energy: -2.048272690523932
Energy: -2.690197773383799
Energy: -2.5088249948402406
Energy: -3.584378180189758
Energy: -1.7264502147756295
Energy: 1.021720538317391
Energy: 0.9965913834010126
Energy: 1.0217205383161334
Energy: 0.9965913834156492
Energy: 1.0217205383178105
Energy: 0.9965913834060058
Energy: -2.540377370350981
Energy: -1.8247138793205664
Energy: -2.672578936825339
Energy: -1.8428891660395836
Energy: -2.4918096879497265
Energy: -2.3543130784367765
Energy: 0.7896335481827642
Energy: 0.7373832663001828
Energy: 0.7896320181204748
Energy: 0.7373832662741876
Energy: 0.7891432927379674
Energy: 0.7373832662930552
Energy: 0.9546623943357501
Energy: -2.5410559591568904
Energy: 0.9546623943365887
Energy: -2.6023968629917777
Energy: 0.954662394334073
Energy: -2.49181063117878
Energy: -1.3542912451856302
Energy: 0.5250730513625175
Energy: -1.5753904499385398
Energy: 0.5250730513612596
Energy: -1.9294464665451785
Energy: 0.5250730513616789
Energy: 0.7016192544419169
Energy: 0.6682222301057769
Energy: 0.7016192544398205
Energy: 0.6682222301087118
Energy: 0.7016192544435941
Energy: 0.6682222301078733

minimum gb energy = -3.584378180189758 eV
minimum distance =  2.3326171317158 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.9118554291845367
Energy: 0.8669375823618788
Energy: 0.9118554291816222
Energy: 0.8669375823599359
Energy: 0.9118554291825937
Energy: 0.8669375823725648
Energy: 1.1067081087038284
Energy: 0.7065434854068214
Energy: 1.106708108552369
Energy: 0.70654348540585
Energy: 1.1067081078765424
Energy: 0.7065434854077928
Energy: 0.7291509209902508
Energy: 0.9791226010612173
Energy: 0.7291509201629208
Energy: 0.9791226010660745
Energy: 0.7291509190025569
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Energy: 0.7712349796886953
Energy: 0.6108938729587379
Energy: 0.7712349581833685
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Energy: 0.7712348747759495
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Energy: 0.8521741346779561
Energy: 0.8501587367211059
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Energy: 0.8521741346808706
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Energy: 0.852640055625061
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Energy: 0.8526400555862026
Energy: 0.8476718676775904
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Energy: 0.8512289802989081
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Energy: 0.8512289803018226
Energy: 0.685234738158988
Energy: -1.0793419336802441
Energy: 0.6851780560803388
Energy: -1.0800828137065448
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Energy: -1.0479421290978712
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Energy: 0.6101515050262741
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Energy: 0.6101515050253027
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Energy: 0.6101515050291885
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Energy: 0.9517196638997986
Energy: -0.9167643644280015
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Energy: -1.2037644463310708
Energy: 0.5570193783259435
Energy: -1.0116011404164964
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Energy: 0.9097377373788853
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Energy: 0.8684958462601681
Energy: 0.9097377373779137
Energy: 0.8684958462727972
Energy: 1.0484658682418606
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Energy: 1.048464609630337
Energy: 0.7063749736729042
Energy: 1.0482283334346079
Energy: 0.7063749736748471
Energy: 0.7755687408482809
Energy: -1.581224010993865
Energy: -2.942923033033021
Energy: -1.4047862186481759
Energy: -2.447657524894883
Energy: -1.359001277531341
Energy: 0.788681333116967
Energy: 0.8686583732291601
Energy: 0.7886813331140525
Energy: 0.8686583732243027
Energy: 0.7886813331140525
Energy: 0.8686583732291601
Energy: 0.8509021913640478
Energy: -2.062072353417208
Energy: 0.8509021887063117
Energy: -1.634447636932878
Energy: 0.8509021764587712
Energy: -1.2716434163359094
Energy: 0.8529001940770083
Energy: 0.9686433284024416
Energy: 0.8529001940770083
Energy: 0.9686394133836754
Energy: 0.8529001940750653
Energy: 0.9686039671636594
Energy: 0.7293188609888498
Energy: 0.84743547967096
Energy: 0.7293188597887001
Energy: 0.8474354796729029
Energy: 0.7293188518543948
Energy: 0.8474354796699884

minimum gb energy = -2.942923033033021 eV
minimum distance =  2.27742558153376 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: -1.3701491972267574
Energy: -1.6310451397658297
Energy: 0.7357975524041219
Energy: -1.6310454309813056
Energy: -1.3701493690375317
Energy: -1.631045026280516
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Energy: -3.580887249269737
Energy: -1.1377485471727886
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Energy: -1.5768098860171904
Energy: -0.9980524631088963
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Energy: -0.9980575080456994
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Energy: -1.9700789820102167
Energy: -0.8809858964758326
Energy: -1.9700529006126297
Energy: -1.6219955474007008
Energy: -1.9699514183800413
Energy: -0.8809863765391602
Energy: -1.3186791010783845
Energy: -1.2934318761179426
Energy: -1.3186718457914626
Energy: -1.2938972456617486
Energy: -1.318666034467727
Energy: -1.2938940284990674
Energy: -2.0811890124758325
Energy: -1.3714174762159907
Energy: -1.1925972875087727
Energy: -1.5339066910033072
Energy: -2.074167177016538
Energy: -1.2489576433845464
Energy: -1.872590507791403
Energy: -1.8647343252739976
Energy: -1.7881645807458828
Energy: -1.831082309769771
Energy: -1.3429210260170492
Energy: -1.8745962955081155
Energy: 0.7357975524052744
Energy: -1.6310451368352226
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Energy: -1.6310450269261951
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Energy: -1.6310448093741305
Energy: -1.522497368562655
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Energy: -1.3186790436434
Energy: -1.2936853206177525
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Energy: -1.2939047466935334
Energy: -1.3186766116084911
Energy: -1.293898293890568
Energy: -2.0734475726658914
Energy: -2.8882561382606715
Energy: -1.1925759514841876
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Energy: -2.0737432344142843
Energy: -1.2658703080672842
Energy: -1.3092025819578532
Energy: -1.8718201797571286
Energy: -1.3706804757146205
Energy: -1.8678446872217416
Energy: -2.027400167019866
Energy: -1.8580835651400542
Energy: 0.7357975524052744
Energy: -1.6310452774886195
Energy: 0.7357975524058507
Energy: -1.631045288434065
Energy: 0.7357975524052744
Energy: -1.6310454637243423
Energy: -2.0114219087105774
Energy: -0.8382955580247777
Energy: -1.1080344480528599
Energy: -0.9725420306257074
Energy: -1.516716774845635
Energy: -0.8353160024655161
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Energy: -1.1377485446119713
Energy: -2.79186191447363
Energy: -1.137748545519709
Energy: -2.791439447680837
Energy: -1.1377485505463418

minimum gb energy = -3.70524429749925 eV
minimum distance =  2.27826573729005 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.6575709722932475
Energy: 0.5547119684364981
Energy: 0.657570972291836
Energy: 0.5547119684364981
Energy: 0.6575709722932475
Energy: 0.5547119684364981
Energy: 1.1691314523261527
Energy: 0.3759697394826739
Energy: 1.168926690618985
Energy: 0.3756785246137349
Energy: -0.9384393606590588
Energy: 0.3765917020841633
Energy: 0.5494173999391084
Energy: 0.7863000439110205
Energy: 0.5494173999391084
Energy: 0.7863000439110205
Energy: 0.549417399937697
Energy: 0.7863000439110205
Energy: 0.8605737356101574
Energy: 0.544042551316897
Energy: 0.8605737247351778
Energy: 0.544042551316897
Energy: 0.8605736933503356
Energy: 0.5440425513154855
Energy: 0.8619520300517238
Energy: 0.541025956181186
Energy: 0.8619517075223687
Energy: 0.541025956181186
Energy: 0.8619509791715366
Energy: 0.541025956181186
Energy: 0.7575637964585814
Energy: 0.8845811611449294
Energy: 0.7575637174455753
Energy: 0.8845811611449294
Energy: 0.7575633056913493
Energy: 0.8845811611435177
Energy: 0.54303787319648
Energy: 0.5970813852416988
Energy: 0.54303787319648
Energy: 0.5970813852416988
Energy: 0.54303787319648
Energy: 0.5970813852416988
Energy: 0.6627664117393969
Energy: 0.5563413382455507
Energy: 0.6627664117393969
Energy: 0.5563413382469622
Energy: 0.6627664117379853
Energy: 0.5563413382455507
Energy: 0.40391002924693353
Energy: 0.5231377872919515
Energy: 0.4036698534867401
Energy: 0.5231377872933629
Energy: 0.40241506361806006
Energy: 0.5231377872933629
Energy: 0.6272396826462745
Energy: 0.8059104664790999
Energy: 0.6272396826448631
Energy: 0.8059084515804282
Energy: 0.6272396826462745
Energy: 0.8058888915745835
Energy: 0.5552660527781118
Energy: 0.541471017956159
Energy: 0.5552660527795233
Energy: 0.5414710179547476
Energy: 0.5552660527809348
Energy: 0.541471017956159
Energy: 0.7747080446434014
Energy: 0.7544832590358458
Energy: 0.7746983496912947
Energy: 0.754480213859976
Energy: 0.7744411472752479
Energy: 0.7541886331987344

minimum gb energy = -0.9384393606590588 eV
minimum distance =  2.29230069450501 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

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Energy: 0.5020995242185313
Energy: 0.7450430368934688
Energy: 0.5020995242177382
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Energy: -3.970876802039518
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Energy: -3.903871230952389
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Energy: -3.794157446558611
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Energy: -2.3510766807924104
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Energy: 0.45503919072180515
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Energy: 0.4550391907194256
Energy: -4.659951756888256
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Energy: -5.406983615765579
Energy: -5.83911742835147
Energy: 0.6139419528862102
Energy: -4.68752087471473
Energy: 0.6139419389116245
Energy: -3.2515490279559245
Energy: 0.6139419173360128
Energy: 0.7450430369037805
Energy: 0.5020995242118252
Energy: 0.7450430368990213
Energy: 0.5020995242106355
Energy: 0.7450430368978316
Energy: 0.502099524210239
Energy: -6.209904630888389
Energy: 0.5036839799390371
Energy: -5.369402336877353
Energy: 0.5036839799394337
Energy: -5.436734666667312
Energy: 0.5036839799390371
Energy: 0.4550800032249766
Energy: -5.822383241622951
Energy: 0.45508000322339015
Energy: -5.456052377414217
Energy: 0.4550800032245799
Energy: -5.191272308966111
Energy: 0.5175697633719815
Energy: 0.5036740392364236
Energy: 0.5175697633834828
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Energy: 0.5175697633791201
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Energy: 0.4708238615101474
Energy: 0.5007510246150598
Energy: 0.4708237528136212
Energy: 0.5007510246178359
Energy: 0.4708236191235778
Energy: 0.5007510246126803

minimum gb energy = -6.5419243121533635 eV
minimum distance =  2.3893755948658 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.37889049896478244
Energy: 0.383774733240267
Energy: 0.37889049896387966
Energy: 0.383774733240267
Energy: 0.3788904989656853
Energy: 0.38377473324116984
Energy: 0.475815962735333
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Energy: 0.3842635122660175
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Energy: 0.38426351226511474
Energy: 0.38709745473446505
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Energy: 0.4771206190101028
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Energy: 0.47712061900919994
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Energy: 0.3790576949297479
Energy: 0.4222657722652147
Energy: 0.37905769492884517
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Energy: 0.37910845323355774
Energy: 0.4222480812708394
Energy: 0.4771764103027022
Energy: 0.4728629373263709
Energy: 0.47717641030179936
Energy: 0.472862937325468
Energy: 0.47717641030179936
Energy: 0.472862937325468
Energy: 0.38653069276091084
Energy: 0.3842519416106979
Energy: 0.386530692760008
Energy: 0.38425194161160076
Energy: 0.386530692760008
Energy: 0.3842519416106979
Energy: 0.4189893442130138
Energy: 0.44351619571549317
Energy: 0.4189893442130138
Energy: 0.4435161957191044
Energy: 0.418989344212111
Energy: 0.44351619571549317
Energy: 0.475405477160144
Energy: 0.6048794794866912
Energy: 0.475405477160144
Energy: 0.6048794794776632
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Energy: 0.6048794794803716
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Energy: 0.38377473324116984
Energy: 0.37889049896387966
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Energy: 0.37889049896478244
Energy: 0.383774733240267
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Energy: 0.604797053463616
Energy: 0.4758159627362358
Energy: 0.6047970534654217
Energy: 0.475815962735333
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Energy: 0.44337251732882227
Energy: 0.4191120140155535
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Energy: 0.4433725173270167
Energy: 0.38709745473446505
Energy: 0.38426351226511474
Energy: 0.3870974547353679
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Energy: 0.38709745473446505
Energy: 0.3842635122660175
Energy: 0.47712061900919994
Energy: 0.4731538483076966
Energy: 0.47712061900919994
Energy: 0.4731538483067938
Energy: 0.47712061900919994
Energy: 0.4731538483067938
Energy: 0.3790576949297479
Energy: 0.4222657722661176
Energy: 0.37905769492884517
Energy: 0.422265772264312
Energy: 0.37905769492884517
Energy: 0.422265772264312
Energy: 0.37910845323355774
Energy: 0.4222480812699367
Energy: 0.37910845323355774
Energy: 0.4222480812708394
Energy: 0.37910845323355774
Energy: 0.4222480812708394
Energy: 0.47717641030179936
Energy: 0.472862937325468
Energy: 0.4771764103008966
Energy: 0.472862937325468
Energy: 0.47717641030179936
Energy: 0.4728629373263709

minimum gb energy = 0.37889049896387966 eV
minimum distance =  2.47874117378251 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.5787420452647246
Energy: 0.6211640300236061
Energy: 0.5787420452647246
Energy: 0.621164030018977
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Energy: 0.6211640300202996
Energy: -2.9220109668235783
Energy: -2.831920159898042
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Energy: -3.268825233786862
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Energy: 0.4261890105415246
Energy: -3.6094235819866727
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Energy: -3.266647475845618
Energy: 0.18219618021051578
Energy: -3.223755679365364
Energy: 0.18219618021249973
Energy: -3.1479762538028107
Energy: 0.1821961802898137
Energy: 0.2669666950663169
Energy: -3.39415894889648
Energy: 0.26696669465119033
Energy: 0.18307732655312836
Energy: 0.26696669489178937
Energy: -3.1827218457608333
Energy: 0.36534992097261365
Energy: -3.0560913360273605
Energy: 0.3653499210935745
Energy: -2.9043684643215197
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Energy: -3.7034729871061165
Energy: -3.59513524422694
Energy: -3.505597662100607
Energy: -3.455059574865478

minimum gb energy = -5.09886841644212 eV
minimum distance =  2.27592965246345 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: 0.6622242169540126
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Energy: 0.3311969888487361
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Energy: -1.6223312032395563
Energy: 0.31375719044765427
Energy: -1.5218496381088962

minimum gb energy = -4.017839857831857 eV
minimum distance =  2.35214278567578 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -3.9381689400744517
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Energy: -4.921179889414741
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Energy: -0.04847977731625804
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Energy: -0.04847977731439576
Energy: 0.605154799514063

minimum gb energy = -6.185544399585309 eV
minimum distance =  2.39253042321754 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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Energy: -0.11736115386667655
Energy: 0.38597567292448287
Energy: -0.1173611538637317
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Energy: -0.11736115386617646
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Energy: 0.5468073575378395
Energy: 0.33125141632412053
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Energy: 0.33125141632267585
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Energy: 0.38597567292789997
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Energy: 0.37358075704789306
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Energy: 0.5468073575434791
Energy: 0.33125141633562216
Energy: 0.546807357542729
Energy: 0.3312514163341497
Energy: 0.5468073575442015

minimum gb energy = -0.11736115386667655 eV
minimum distance =  2.40555799204783 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: -0.5853429529648645
Energy: -0.5007299267078852

minimum gb energy = -4.351503717186453 eV
minimum distance =  2.39582679616164 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -0.5854709330343449
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Energy: -0.5854709330197333
Energy: -0.30625960701036986

minimum gb energy = -5.808502244544769 eV
minimum distance =  2.39990004514045 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.14365894470413879
Energy: -0.12974580693055404
Energy: 0.14365894470526053
Energy: -0.12974580692999316
Energy: 0.14365894470582138
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Energy: -0.21376202875412148
Energy: -0.08804924400391373

minimum gb energy = -2.5312320623589697 eV
minimum distance =  2.40119876221757 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.12689966734507413
Energy: -0.7101436980250082
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Energy: -0.5469484110378283
Energy: -0.7321860970304557
Energy: -0.5454712723267656
Energy: -0.7315761385330789

minimum gb energy = -2.042872583454705 eV
minimum distance =  2.27835992443884 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -0.9948671227846598
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Energy: -0.9948671228061804
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Energy: -1.2367748644826788
Energy: -1.8665592524531485
Energy: -1.1916416122487448
Energy: -1.8534191149948083

minimum gb energy = -1.8665592524531485 eV
minimum distance =  2.29162986657318 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

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Energy: -2.361323748762435
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Energy: -1.6046310228373297
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Energy: -2.8105792004456087
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Energy: -2.808854446751081
Energy: -2.1234803053092097
Energy: -2.8240545624993505
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Energy: -2.5236553025112762
Energy: -2.1626867737524287
Energy: -2.5248121807686426
Energy: -2.311437591923209
Energy: -2.4473702565171815
Energy: -2.2841201915764806
Energy: -2.7915561827783884
Energy: -2.1985814172784353
Energy: -2.6362310085577683
Energy: -2.3833905037436014
Energy: -2.6282819396939407
Energy: -2.3589259462223255

minimum gb energy = -3.3317513149779714 eV
minimum distance =  2.29044622702553 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: -3.233522585118551
Energy: -3.358009530933208
Energy: -3.2335226799409664
Energy: -3.321734782457218
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Energy: -3.7495622834805835
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Energy: -3.3196615648277934
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Energy: -3.4432075899183854
Energy: -2.8502019279494006
Energy: -3.4659704351278027
Energy: -2.8502019279145885
Energy: -3.4423400067366186
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Energy: -4.174490306569702
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Energy: -3.3467046886866876
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Energy: -3.3660408995485045
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Energy: -3.271014410029887
Energy: -3.482212006890701
Energy: -3.3675589960012275
Energy: -3.433321626297407
Energy: -3.245519707709317
Energy: -3.260076265777374
Energy: -3.898622812321504
Energy: -3.232472250348595
Energy: -4.157406933963112
Energy: -3.263002309712869
Energy: -4.521776698864669
Energy: -3.325404329662718
Energy: -3.254975842633535
Energy: -3.2534133410483066
Energy: -3.243220513002489
Energy: -3.2170148375367456
Energy: -3.271801842857217
Energy: -3.318432786012984
Energy: -3.048641089873402
Energy: -3.30900422119051
Energy: -3.000890909363573
Energy: -3.256367849678238
Energy: -3.892041264103833
Energy: -3.5052909955846276
Energy: -4.344673778699496
Energy: -3.563627605127417
Energy: -4.366410847645318
Energy: -3.616176961573442
Energy: -4.342989645598103
Energy: -3.7570436270572514
Energy: -3.409939594479347
Energy: -3.7570436270559595
Energy: -3.395710021897146
Energy: -3.7570436270540224
Energy: -3.4226555079416907

minimum gb energy = -4.521776698864669 eV
minimum distance =  2.30415126253476 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -1.069148352513245
Energy: -1.284141714759054
Energy: -1.069148352514186
Energy: -1.2841574641943936
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Energy: -1.879392513969786
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Energy: -1.9947763595023262
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Energy: -2.500887498225684
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Energy: -2.32636413929966
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Energy: -1.6085452236444475
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Energy: -2.3189393425791534
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Energy: -2.2201587615162883
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Energy: -1.6458555477742889
Energy: -2.8517089791282704
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Energy: -2.645315326182226
Energy: -2.157808646789052
Energy: -2.645315326077818
Energy: -2.148415238700475

minimum gb energy = -2.8517098398192693 eV
minimum distance =  2.28738202063629 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.013369357845600949
Energy: -0.05972412892189534
Energy: -0.013369357843872222
Energy: -0.05972412892362406
Energy: -0.013369357845600949
Energy: -0.05972412892189534
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Energy: -0.062014312091039255
Energy: 0.7390907167813981
Energy: -0.062014312091039255
Energy: 0.7390907167813981
Energy: -0.062014312091039255
Energy: 0.7390927286675963
Energy: -0.06202558054418775
Energy: 0.7390927286658676
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Energy: -0.06202558054591647
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Energy: -0.05972412892189534
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Energy: -0.05972412892189534
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Energy: -0.062014312091039255
Energy: 0.7390907167831269
Energy: -0.062014312091039255
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Energy: -0.062014312091039255
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Energy: -0.06202558054418775
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Energy: -0.06202558054418775
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Energy: -0.06202558054591647
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Energy: -0.05972412892189534
Energy: -0.013369357845600949
Energy: -0.05972412892189534
Energy: -0.013369357843872222
Energy: -0.05972412892189534
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Energy: -0.062014312091039255
Energy: 0.7390907167831269
Energy: -0.062014312091039255
Energy: 0.7390907167831269
Energy: -0.062014312091039255
Energy: 0.7390927286675963
Energy: -0.06202558054418775
Energy: 0.7390927286675963
Energy: -0.06202558054418775
Energy: 0.7390927286641389
Energy: -0.06202558054418775
Energy: -0.013369357843872222
Energy: -0.05972412892189534
Energy: -0.013369357843872222
Energy: -0.05972412892189534
Energy: -0.013369357843872222
Energy: -0.05972412892189534

minimum gb energy = -0.06202558054591647 eV
minimum distance =  2.4279907968974 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -0.3760961144183911
Energy: -0.24915788443287198
Energy: -0.3760961144458093
Energy: -0.24915788348089873
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Energy: -2.4309719020087073
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Energy: -0.7397555687816538
Energy: -0.9301649947814913
Energy: -0.660859636127907
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Energy: -0.6524443557609506
Energy: -0.6149904749501928
Energy: -2.6151542468654747
Energy: -0.6149904749775641
Energy: -2.7315391917125353
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Energy: -2.774530831545851
Energy: -3.333415677359846
Energy: -2.5526548792161368
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Energy: -4.829166733335347
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Energy: -0.2559430605757222
Energy: -4.0917264382751295
Energy: -0.25594306058296473

minimum gb energy = -4.829166733335347 eV
minimum distance =  2.3676532598779 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -1.129444279081254
Energy: -0.9137897728673446
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Energy: -7.459738072771552
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Energy: -6.440283987457009
Energy: -0.24701752802392438
Energy: -5.838251827795235
Energy: -0.247017528021713

minimum gb energy = -7.795263799757032 eV
minimum distance =  2.37154026583066 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.4397265120632347
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Energy: -0.3825795750935431
Energy: -0.8895204191747532
Energy: -4.289572979103036
Energy: -0.9009603163465143

minimum gb energy = -5.100266268199132 eV
minimum distance =  2.34968501551521 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

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Energy: 0.10717814118420527
Energy: 0.20484400009693415
Energy: 0.10717814115739357
Energy: 0.20484400010842488
Energy: 0.10717814118165177
Energy: 0.07768792671450303
Energy: 0.08779703187589537
Energy: 0.07768792670939603
Energy: 0.08779703186318594
Energy: 0.07768792668769132
Energy: 0.08779703185807892
Energy: 0.1784837736713514
Energy: -1.7977469114651352
Energy: 0.17848377240661684
Energy: -1.6894744624960412
Energy: 0.17848376142635503
Energy: -1.7300797187473744
Energy: -1.9591039164134048
Energy: 0.1418934501210172
Energy: -1.7795362099050134
Energy: 0.14189345009548224
Energy: -1.3518306242252507
Energy: 0.1418934501210172

minimum gb energy = -3.9358278760132097 eV
minimum distance =  2.37353335180186 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.29414580862511097
Energy: -2.0716650974560205
Energy: 0.2941784232284706
Energy: -2.5321911514384476
Energy: 0.2942600618939047
Energy: -2.3371393694598193
Energy: -1.8856640429348752
Energy: -2.3656424137077154
Energy: -1.1570850612578316
Energy: -1.8260531593262044
Energy: -1.6304881038780519
Energy: -2.1757501330581603
Energy: -2.5567529203799815
Energy: 0.322883996854003
Energy: -2.7263432698639907
Energy: 0.32288399692408654
Energy: -3.132062743734606
Energy: 0.32288399198050727
Energy: -2.4650657815549573
Energy: -1.761249235647877
Energy: -2.438281665221233
Energy: -1.7949817829255146
Energy: -2.7118116014265476
Energy: -1.596098489931591
Energy: -2.3938312308035474
Energy: -2.266059853194825
Energy: -2.3927192797654957
Energy: -1.9593822903915454
Energy: -2.674965791098459
Energy: -2.0065129173002347
Energy: -2.6004238402132134
Energy: -2.5235691307524624
Energy: -2.3899534058889267
Energy: -2.416634484532908
Energy: -3.1985840240293895
Energy: -1.5579194199751862
Energy: -2.5178958034501555
Energy: -2.149007623686732
Energy: -1.532087126552988
Energy: -1.4363510518605334
Energy: -1.6568325795958638
Energy: -2.2938881220795295
Energy: -2.102322802631597
Energy: 0.044442611577468635
Energy: -2.0904942684891203
Energy: 0.03785940994525799
Energy: -2.898039821824238
Energy: 0.04309928866805274
Energy: 0.39625291483951985
Energy: 0.015111795076978013
Energy: 0.39624722483291225
Energy: 0.03980866523190936
Energy: 0.39622324756890337
Energy: 0.036742204517198875
Energy: -2.9100548972234215
Energy: -1.5615279382004934
Energy: -2.3496857342695465
Energy: -1.780170152129403
Energy: -2.2793537935059316
Energy: -1.7906049604698462
Energy: -2.5869207253243762
Energy: -2.3331466251617696
Energy: -2.3407389977407806
Energy: -3.53724276469081
Energy: -2.7088935362883664
Energy: -3.597589073753395
Energy: -2.1004973579790427
Energy: -2.117981078597353
Energy: -3.5471630301569856
Energy: -1.9028035143281818
Energy: -2.345675024874595
Energy: -2.138542041346555
Energy: -1.7017731980427397
Energy: -1.6245264048240475
Energy: -2.7752853211569266
Energy: -1.3063065679653059
Energy: -2.175563155618168
Energy: -1.3765949174174257
Energy: -2.77895846755429
Energy: -1.647163260053093
Energy: -3.216598214530788
Energy: -2.5398673617474876
Energy: -2.8241055104925694
Energy: -1.5963438633352485
Energy: 0.547257850752671
Energy: -1.090761310561606
Energy: -2.4438287475332148
Energy: -2.756365114683697
Energy: -4.481826427089934
Energy: -3.0066307160495276
Energy: -1.1866724854223605
Energy: -2.045018188162615
Energy: -1.3628236691098976
Energy: -1.8687654391327897
Energy: -1.2413435257945986
Energy: -1.8823580025744677
Energy: -2.074200623246128
Energy: -2.8715902026187234
Energy: -2.2960091451318903
Energy: -2.020598821692563
Energy: -1.6982317531923508
Energy: -2.282144001605412
Energy: -2.1790533505086356
Energy: 0.3903975448880785
Energy: -2.4747037283891675
Energy: 0.39039508140180174
Energy: -1.6337552132449273
Energy: 0.3903903758474242
Energy: -2.73053659096096
Energy: -1.5985771492589862
Energy: -2.0473469323484568
Energy: -1.8407211950156623
Energy: -1.755631461529535
Energy: -2.157744849481134
Energy: -1.5021883594591523
Energy: -3.469337392567439
Energy: -2.0827963257403495
Energy: -2.1351571069800395
Energy: -2.232122289161058
Energy: -2.3507451142751754
Energy: -2.127681277398275
Energy: 0.6177960150343275
Energy: -2.8020799407143073
Energy: 0.6178708657264931
Energy: -2.2694600914393996
Energy: 0.6178813645515092
Energy: -2.857538967914178
Energy: -1.68223651801309
Energy: -2.4717119786141786
Energy: -2.811906948728332
Energy: -2.800029992011704
Energy: -1.5353694687385155
Energy: -1.7812297964398223
Energy: -2.9391301322814356
Energy: -2.0716498400314936
Energy: -2.238233065564966
Energy: -2.5855390713968323
Energy: -2.7964110668039623
Energy: -2.739411366613718
Energy: 0.2987599874601661
Energy: -2.5329320206538073
Energy: 0.2987761920419246
Energy: -2.78014429124315
Energy: 0.29876273794909725
Energy: -1.293771931075473
Energy: -1.9063244748954977
Energy: -1.5778495240971113
Energy: -1.2904566195351486
Energy: -2.1120233974846268
Energy: -1.3032604694430925
Energy: -2.8445223508430764
Energy: -2.150190909112318
Energy: -2.4560901397830923
Energy: -2.1040780841245423
Energy: -3.8090585516543425
Energy: -3.0023344296879215
Energy: -1.7870322724282375
Energy: -3.2585392794297703
Energy: -3.329101630838495
Energy: -2.2978045760504773
Energy: -2.120324779377119
Energy: -2.7934487330628173
Energy: -2.248270801548283
Energy: -2.8747744664929615
Energy: -2.0972808499250815
Energy: -3.507775003383107
Energy: -2.319596716921474
Energy: -2.312109570979481
Energy: -1.9101005141559748
Energy: -3.212056823844129
Energy: -1.788484923002371
Energy: -2.3389650815830327
Energy: -1.8361668959480784
Energy: -2.280498409255443
Energy: -2.194038651240192
Energy: -2.4498586189553473
Energy: -0.9227040934468804
Energy: -1.7646583758403822
Energy: -0.8567873740615637
Energy: -2.315198037018478
Energy: -2.5880948903640513
Energy: -1.6685898193574682
Energy: -1.79358212271122
Energy: -1.9836408027146355
Energy: -1.9118961861642878
Energy: -1.7966399228874241

minimum gb energy = -4.481826427089934 eV
minimum distance =  2.25842701584333 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.9300113860588403
Energy: 0.8430151659455467
Energy: 0.9300113860588403
Energy: 0.8430151659475429
Energy: 0.9300113860588403
Energy: 0.8430151659445488
Energy: 0.5429740114695595
Energy: 0.6001871766688467
Energy: 0.5429740216244744
Energy: 0.6001871766639018
Energy: 0.5429740700637241
Energy: 0.600187176670843
Energy: 0.9607824536891129
Energy: 0.6246409889406466
Energy: 0.9607824536891129
Energy: 0.6246409889396484
Energy: 0.9607824536891129
Energy: 0.6246409889426427
Energy: 0.9244967999299899
Energy: -1.7410816137107885
Energy: 0.9244967999309879
Energy: -1.7297018368648578
Energy: 0.9244967999299899
Energy: -2.18151879050373
Energy: 0.955583891722901
Energy: 0.6255645444926415
Energy: 0.955583891721903
Energy: 0.6255645444946376
Energy: 0.955583891721903
Energy: 0.6255645444976319
Energy: 0.5538650360145648
Energy: 0.799587484260901
Energy: 0.5538650399083452
Energy: 0.7995874842638951
Energy: 0.5538650473736626
Energy: 0.799587484260901
Energy: 0.9300113860578422
Energy: 0.8430151659495391
Energy: 0.9300113860578422
Energy: 0.8430151659475429
Energy: 0.9300113860578422
Energy: 0.8430151659475429
Energy: 0.5429740065920808
Energy: 0.6001871766648998
Energy: 0.5429740337208354
Energy: 0.6001871766648998
Energy: 0.5429740778502871
Energy: 0.600187176672839
Energy: 0.9607824536901108
Energy: 0.6246409889406466
Energy: 0.9607824536901108
Energy: 0.6246409889406466
Energy: 0.9607824536901108
Energy: 0.6246409889396484
Energy: 0.9244967999289918
Energy: 0.7925148482002817
Energy: 0.9244967999279937
Energy: 0.7925148482022779
Energy: 0.9244967999289918
Energy: 0.7925148481992836
Energy: 0.955583891721903
Energy: 0.6255645444966338
Energy: 0.955583891721903
Energy: 0.6255645444976319
Energy: 0.955583891721903
Energy: 0.6255645444966338
Energy: 0.5538650360365225
Energy: 0.7995874842648933
Energy: 0.553865039220986
Energy: 0.799587484262897
Energy: 0.5538650464288896
Energy: 0.7995874842648933
Energy: 0.9300113860588403
Energy: 0.8430151659475429
Energy: 0.9300113860588403
Energy: 0.8430151659485411
Energy: 0.9300113860588403
Energy: 0.8430151659455467
Energy: 0.5429740054168876
Energy: 0.6001871766648998
Energy: 0.542974028828431
Energy: 0.6001871766609075
Energy: 0.5429740919289248
Energy: 0.6001871766698448
Energy: 0.9607824536881148
Energy: 0.6246409889406466
Energy: 0.9607824536891129
Energy: 0.6246409889416447
Energy: 0.9607824536881148
Energy: 0.6246409889416447
Energy: 0.9244967999309879
Energy: 0.7925148482042742
Energy: 0.9244967999299899
Energy: 0.7925148481962895
Energy: 0.9244967999299899
Energy: 0.7925148481982854
Energy: 0.955583891721903
Energy: 0.6255645444946376
Energy: 0.9555838917248972
Energy: 0.6255645444936396
Energy: 0.955583891721903
Energy: 0.6255645444986299

minimum gb energy = -2.18151879050373 eV
minimum distance =  2.28796358097481 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.7070666002741648
Energy: 0.7694679221870954
Energy: 0.7070282550735383
Energy: 0.7694679325491709
Energy: 0.7069048229431529
Energy: 0.7694678959083544
Energy: 0.8522328136835421
Energy: 0.7977075074403358
Energy: 0.8522328137022853
Energy: 0.7977075033976235
Energy: 0.8522328136827272
Energy: 0.797707485068251
Energy: -1.5512428548296733
Energy: -1.7647903882850466
Energy: -1.5617329412504863
Energy: -1.6577277231607261
Energy: -1.4849540590792794
Energy: -0.9490161267828777
Energy: 0.7939317181910768
Energy: -4.139336538341021
Energy: 0.793931718187817
Energy: -4.123175585975724
Energy: 0.793931718187002
Energy: -4.152916990474966
Energy: 0.8529182100603612
Energy: 0.7857337452461546
Energy: 0.852918210061176
Energy: -3.249199803055055
Energy: 0.8529182100587313
Energy: -3.363274722947724
Energy: 0.8988037314477479
Energy: -5.584304602658739
Energy: 0.8988037314501928
Energy: -5.3404629902669924
Energy: 0.8988037314493778
Energy: -5.093626733042922
Energy: 0.8313836050224731
Energy: 0.8519223995982694
Energy: 0.8313836050289926
Energy: 0.8519223995982694
Energy: 0.8313836050273627
Energy: 0.8519223995966395
Energy: 0.8854176168756864
Energy: 0.7355489898419091
Energy: 0.8854176168756864
Energy: 0.7355514675396477
Energy: 0.8854176168724267
Energy: 0.7355535241812986
Energy: -3.029849952257134
Energy: -2.8924164037314184
Energy: -3.4098410180701073
Energy: -4.624815548288619
Energy: -3.379982225928781
Energy: -2.264958551039415
Energy: 0.8327999618405417
Energy: 0.8665188506091073
Energy: 0.8327999618323924
Energy: 0.8665188506188862
Energy: 0.8327999618576553
Energy: 0.8665188506091073
Energy: -5.19690635528518
Energy: 0.8322612995172948
Energy: -5.250029967775702
Energy: 0.8322612798471426
Energy: -5.02990527636322
Energy: 0.8322612559982592
Energy: 0.9069033605344802
Energy: -4.710081966712424
Energy: 0.9069033603504174
Energy: -5.170757048241382
Energy: 0.9069033597696328
Energy: -4.86345890622871
Energy: -3.5232589898261515
Energy: 0.8173739365942271
Energy: -4.025693464009541
Energy: 0.8173685149366873
Energy: -2.9309632163056674
Energy: 0.8173508555456019
Energy: -3.0145598833594676
Energy: 0.7659764380835635
Energy: -1.5500361943178
Energy: 0.765976438078674
Energy: -3.409671229397191
Energy: 0.7659764380827486
Energy: 0.8871289565402295
Energy: 0.8968062416698824
Energy: 0.8871289565328951
Energy: 0.8968062416690674
Energy: 0.887128956545119
Energy: 0.8968062416649929
Energy: 0.7551354203513957
Energy: 0.8237767076629302
Energy: -3.0345278985268336
Energy: 0.8237767076661899
Energy: -4.887672680948352
Energy: 0.8237767076686348
Energy: 0.7952465343071258
Energy: 0.8366866156683951
Energy: 0.79524397630207
Energy: 0.8366857298865708
Energy: 0.7952267469451396
Energy: 0.8366839822849691
Energy: -2.5702860430285956
Energy: -4.343331125859588
Energy: -2.4237235517984237
Energy: -4.294895091994311
Energy: -2.4359194846509564
Energy: -4.259403034209035
Energy: 0.8549040523519701
Energy: 0.7631477818172969
Energy: 0.8549040518730144
Energy: 0.763147641707746
Energy: 0.8549040518200812
Energy: -3.8131583353697667
Energy: -3.746560262915144
Energy: 0.7767402989616488
Energy: -3.6139089243587077
Energy: 0.7767406123050765
Energy: -3.794306287096785
Energy: 0.7767400114399355
Energy: 0.9059632745596442
Energy: -4.699918533906766
Energy: 0.9059632679250147
Energy: -5.1546206294039445
Energy: 0.9059632260432446
Energy: -5.088600716116303

minimum gb energy = -5.584304602658739 eV
minimum distance =  2.21326217462388 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.8936963689967833
Energy: -1.4938831876209653
Energy: 0.8936959711558224
Energy: -2.505664928024828
Energy: 0.893692657180757
Energy: -3.1973784843979094
Energy: 0.9688071501703018
Energy: 0.9168882979424587
Energy: 0.9688071496601348
Energy: 0.9168882979417717
Energy: 0.968807145175823
Energy: 0.9168882979417717
Energy: 0.9035460739723046
Energy: 0.8467668843602094
Energy: 0.9035460739723046
Energy: 0.846766884327237
Energy: 0.9035460739729916
Energy: 0.8467668843396018
Energy: 0.9448560061383116
Energy: 0.8296355992413548
Energy: 0.9448560061383116
Energy: 0.8296355992413548
Energy: 0.9448560061362821
Energy: 0.8296355992372333
Energy: 0.9201826191195613
Energy: 0.8601832262336542
Energy: 0.9201826191216221
Energy: 0.8601832262309065
Energy: 0.9201826191278043
Energy: 0.8601832262398366
Energy: 0.9136655342420874
Energy: 0.9669993530241832
Energy: 0.9136242849281608
Energy: 0.9669993540452043
Energy: 0.9135739985600072
Energy: 0.9669993371804351
Energy: -2.849657529842625
Energy: 0.9336923957223923
Energy: -2.06079423278333
Energy: 0.9336923912305244
Energy: -1.6117269086962092
Energy: 0.9336923289320999
Energy: 0.9677096458282535
Energy: 0.9408492876827788
Energy: 0.9677096458303144
Energy: 0.9408492876889611
Energy: 0.9677096458255059
Energy: 0.9408492876855266
Energy: 0.9354975896713501
Energy: 1.035523310756609
Energy: 0.9354975896699762
Energy: 1.035523310755235
Energy: 0.9354975896699762
Energy: 1.0355233107586699
Energy: -1.071848269464333
Energy: 0.7193032482436799
Energy: -2.326540630330184
Energy: 0.7193032481997478
Energy: -0.8113725715350565
Energy: 0.7193032481262781
Energy: 0.9588644571517502
Energy: 0.8182706324992749
Energy: 0.9588559424495605
Energy: 0.818266648293328
Energy: 0.9588152513189514
Energy: 0.818255712377171
Energy: 0.8790206071384059
Energy: 0.9181395263643
Energy: 0.879020607137032
Energy: 0.9181395263691083
Energy: 0.879020607137719
Energy: 0.9181395263560568
Energy: 1.0500333066288476
Energy: 0.8289662881747646
Energy: 1.0500333066260998
Energy: 0.8289662881747646
Energy: 1.0500333066288476
Energy: 0.8289662881781992
Energy: 1.0066205510348267
Energy: 0.8689334404827458
Energy: 1.0066205510362007
Energy: 0.868933439782394
Energy: 1.00662055103414
Energy: 0.8689334381640289
Energy: 0.8700582321145358
Energy: -1.7160536245873965
Energy: 0.8700545336333562
Energy: -1.3853344276752753
Energy: 0.8700225381815976
Energy: -0.6759225457429556
Energy: 0.8751151460957602
Energy: 0.8606193344317448
Energy: 0.8751151461005374
Energy: 0.8606193344255624
Energy: 0.8751151460950732
Energy: 0.8606193344255624
Energy: 0.9198551466000742
Energy: 0.9243269426138829
Energy: 0.9198551465829009
Energy: 0.9243269426180044
Energy: 0.9198551465863357
Energy: 0.9243269426269346
Energy: 0.8323310660649125
Energy: 0.8465774802480392
Energy: 0.8323310660655994
Energy: 0.8465774802412012
Energy: 0.8323310660655994
Energy: 0.8465774802350188
Energy: 0.8640508573183597
Energy: 0.9417232424173093
Energy: 0.8640508573162988
Energy: 0.9417232424179962
Energy: 0.8640508573197336
Energy: 0.9417232424179962
Energy: 0.8936963570578316
Energy: -3.824354710995661
Energy: 0.8936961456604277
Energy: -3.05702015672799
Energy: 0.8936932112470806
Energy: -2.984627716454119
Energy: 0.968807150195
Energy: 0.9168882979403981
Energy: 0.9688071493545779
Energy: 0.9168882979383371
Energy: 0.968807146367108
Energy: 0.916888297939711
Energy: 0.9035460739757392
Energy: 0.8467668843464708
Energy: 0.9035460739757392
Energy: 0.8467668843657049
Energy: 0.9035460739771131
Energy: 0.8467668843375409
Energy: 0.9448560061383116
Energy: 0.829635599249598
Energy: 0.9448560061417461
Energy: 0.8296355992509719
Energy: 0.9448560061362821
Energy: 0.8296355992489111
Energy: 0.9201826191078835
Energy: 0.8601832262377758
Energy: 0.9201826190996404
Energy: 0.8601832262398366
Energy: 0.9201826191154397
Energy: 0.860183226235028
Energy: 0.913665110529953
Energy: 0.9669993510597636
Energy: 0.913645618513201
Energy: 0.9669993468762004
Energy: 0.9135683482729304
Energy: 0.9669993322271406

minimum gb energy = -3.824354710995661 eV
minimum distance =  2.25358024733041 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.05490392873884455
Energy: 0.8812471506755655
Energy: 0.03681132203432501
Energy: 0.8812471506761586
Energy: 0.06270880504346622
Energy: 0.8812471506767515
Energy: -0.9117632906473343
Energy: -2.9963714286502845
Energy: -0.5203262325116667
Energy: -1.8958694304406498
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Energy: -1.333632689632977
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Energy: -1.1375368284157268
Energy: 0.8104116536484886
Energy: -1.0891341648552835

minimum gb energy = -2.9963714286502845 eV
minimum distance =  2.25417410333152 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

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Energy: -0.5930416717866596
Energy: 0.6737757753987662
Energy: -1.7592079602550175
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Energy: 0.6901373272750383
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Energy: 0.7383778952113182
Energy: -1.8208300506465271
Energy: 0.738377895231125
Energy: -2.173395463732116
Energy: 0.7383778949273899
Energy: 0.879839465525392
Energy: 0.8553379890632576
Energy: 0.8798394655170522
Energy: 0.855337989055439
Energy: 0.8798394655269558
Energy: 0.8553379890601301
Energy: 0.7196736517848127
Energy: 0.6580486996515601
Energy: 0.7196736514826415
Energy: 0.6580486996484327
Energy: 0.7196736526866828
Energy: 0.658048699653645
Energy: 0.6817035489948045
Energy: 0.6698236088984768
Energy: 0.6817035409005284
Energy: 0.669823609049065
Energy: 0.6817035020861385
Energy: 0.6698236065279226
Energy: 0.811749738429013
Energy: 0.7986237519661298
Energy: 0.8117497384295342
Energy: 0.7986237518556765
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Energy: 0.7986237519567477
Energy: 0.7548804739174281
Energy: -1.5451482497457516
Energy: 0.7548804739137795
Energy: -0.9065195876413359
Energy: 0.7548804739351499
Energy: -2.1311113291080437

minimum gb energy = -3.6048288463174263 eV
minimum distance =  2.25061438724352 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.017133799100187436
Energy: 0.5330550833210974
Energy: 0.017133799101005466
Energy: 0.5330550833206643
Energy: 0.017133799101005466
Energy: 0.5330550833215304
Energy: 0.01945657635533145
Energy: -5.251905407954094
Energy: 0.019456576357448702
Energy: -5.251905407954094
Energy: 0.01945657635489838
Energy: -5.251905407953685
Energy: 0.5342001307984561
Energy: -5.2518653306090135
Energy: -0.3344682267580402
Energy: -5.251865330610289
Energy: 0.5341997262275501
Energy: -5.251865330608604
Energy: 0.01945657635533145
Energy: -5.251905407954959
Energy: 0.01945657635533145
Energy: -5.251905407955369
Energy: 0.01945657635533145
Energy: -5.251905407954527

minimum gb energy = -5.251905407955369 eV
minimum distance =  2.45604545965181 Angstroms
sigma value = 1