Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=3.6583648324012783
cohesive_energy=4.002359338938538
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19]
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: 0.01507161239055924
Energy: 0.015884666272299338
Energy: 0.016076041464183684
Energy: 0.016106709386964853
Energy: 0.555511901461996
Energy: 0.02011349026053686
Energy: 0.015884666272299338
Energy: 0.028691967600178094
Energy: 0.031020367038453196
Energy: 0.03267284092233371
Energy: 0.02956067222364807
Energy: 0.028284541684970476
Energy: 0.016076041463877467
Energy: 0.031006759118557343
Energy: 0.02805833501181462
Energy: 0.01592363218887314
Energy: 0.028225947596607275
Energy: 0.02938024033687105
Energy: 0.016106709386964853
Energy: -5.086457767791363
Energy: 0.01592363218887314
Energy: 0.016647786708684012
Energy: -5.061045900875626
Energy: 0.01600058470216965
Energy: 0.5555117705977427
Energy: 0.02956075535070513
Energy: 0.02822644270523063
Energy: -5.060717273185002
Energy: 0.03114570635843107
Energy: 0.027830018819784152
Energy: 0.020113490261149294
Energy: 0.0282855824035706
Energy: 0.029375197466710086
Energy: 0.01600058470006015
Energy: 0.027877626977532266
Energy: 0.01575250146147372

minimum gb energy = -5.086457767791363 eV
minimum distance =  2.57329101413829 Angstroms
sigma value = 1


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

Energy: 0.6858995336185473
Energy: -2.534603046979419
Energy: -2.7992396538912936
Energy: -2.441230417239933
Energy: -3.972907285152605
Energy: -2.8364107623509205
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Energy: -2.709625185076366
Energy: -3.153657595142843
Energy: -2.7900764516561978
Energy: -3.3303609614303644
Energy: -2.8740875355970075
Energy: -2.9888720139190403
Energy: -2.684003285628425
Energy: -3.164543075168059
Energy: -3.98659904898794
Energy: -2.8892364464843237
Energy: -2.812537915833582
Energy: -2.590644252362545
Energy: -2.700297339105363
Energy: -4.632002456326109
Energy: -2.641325363493285
Energy: -2.885828518679603
Energy: -2.3115942047523808
Energy: -2.7478861455625747
Energy: -2.529465772240145
Energy: -2.4743186800311174
Energy: -4.525959023847648
Energy: -3.3117747199054177
Energy: -2.403027681013543
Energy: -2.6399650506966883
Energy: -2.8689759193335536
Energy: -2.8661799026854924
Energy: -3.5728705092859205
Energy: -2.8415473379577225
Energy: -2.8257679649252507
Energy: -2.5272004438566884
Energy: -3.334812569735128
Energy: -3.26971818844801
Energy: -2.584998047773637
Energy: -3.6876729496971947

minimum gb energy = -5.74644324046274 eV
minimum distance =  2.30764676754442 Angstroms
sigma value = 33


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

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Energy: -1.9582435173778046
Energy: -1.9594379497098606
Energy: -4.007494701791036
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Energy: -2.0435290556860313
Energy: -2.157081061913962
Energy: -2.3273324043488257
Energy: -2.0186531747681373

minimum gb energy = -5.419849191457737 eV
minimum distance =  2.26111093528606 Angstroms
sigma value = 51


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

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Energy: -1.711523286613047
Energy: -1.8826630233994774
Energy: -1.6130048553194014
Energy: -1.560813724143994
Energy: -1.6269652979177134
Energy: -1.7837157886598023
Energy: -1.6890768029214644
Energy: -1.8392068276816587
Energy: -1.6952645767036583
Energy: -1.5516146598831857

minimum gb energy = -2.499921966961298 eV
minimum distance =  2.28749886912929 Angstroms
sigma value = 19


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

Energy: 0.6385693724486878
Energy: 0.2335255336474429
Energy: -1.3687247161462002
Energy: -0.9195950214109038
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Energy: -1.5804868748597052
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Energy: -1.2788103711517071
Energy: -2.022516848051128
Energy: -1.6669151745384725
Energy: -1.5440019851074651
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Energy: -1.5419253049241706
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Energy: -1.691017076655084
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Energy: -0.9775306297579304
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Energy: -1.9500154333523865
Energy: -1.582956003815925
Energy: -0.4228239439567099
Energy: -1.665181913177064
Energy: -1.5848642251109788
Energy: -0.4336880087459172
Energy: -1.397463517038148
Energy: -1.592339479808298
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Energy: -0.42263750347884094
Energy: -1.650921724461572
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Energy: -0.7322506043036296
Energy: -0.146542262234111
Energy: -1.3653100899194959
Energy: -1.4930585586272638
Energy: -0.06137444603312394

minimum gb energy = -2.022516848051128 eV
minimum distance =  2.31034371771112 Angstroms
sigma value = 27


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

Energy: 0.6432613755179563
Energy: -1.7157909687243829
Energy: -1.7360933786481172
Energy: -1.2422889567390956
Energy: -2.224283355286329
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Energy: -1.890385215109512
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Energy: -1.5370070869888146
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Energy: -2.1092087736185703
Energy: -1.96394094922262
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Energy: -1.8070048423012817
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Energy: -0.5917759693337042
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Energy: -0.7924272349963812
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Energy: -0.1685591778124328
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Energy: -2.0543225272156516
Energy: -2.0523983090989266
Energy: -1.7320810662778505
Energy: -2.205359118331065
Energy: -1.6945948860519038
Energy: -0.8451949719903417
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Energy: -1.9020704782136661
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Energy: -1.7912952473868409
Energy: -1.9168612071979105
Energy: -1.2306125944765103
Energy: -2.159925710606333
Energy: -1.622739948502375

minimum gb energy = -2.2487525648847475 eV
minimum distance =  2.33575738438546 Angstroms
sigma value = 9


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

Energy: -2.738337893357775
Energy: -3.0330165958384425
Energy: -2.710612843625233
Energy: -2.562828049674037
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Energy: -2.9623978781820073
Energy: -2.8849472232911517
Energy: -3.034035557587899
Energy: -2.827977135988314

minimum gb energy = -5.460816872215413 eV
minimum distance =  2.32838222785943 Angstroms
sigma value = 57


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

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Energy: -2.547849671204742
Energy: -2.4867405931194013
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Energy: -2.8938824687609994
Energy: -2.5791761477079227
Energy: -2.7375767309406047
Energy: -0.2981213873333823
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Energy: -2.1348180050388668
Energy: -2.41329605675195
Energy: -2.2744080967378286
Energy: -2.3076389546520253
Energy: -2.3487093033153967
Energy: -2.469690431463562
Energy: -2.4114543431785282
Energy: -2.3640492343729074
Energy: -1.8689256995167431
Energy: -1.8666607049579624
Energy: -1.7877843359870853
Energy: -2.0734384102683614
Energy: -2.183317166924467
Energy: -2.0218637970156363
Energy: -2.580528673608165
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Energy: -2.3853655822955333
Energy: -2.3326471242325515
Energy: -2.482500324086476
Energy: -2.6540875787320273
Energy: -2.5849613711834096
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Energy: -2.827978614684084
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Energy: -2.360976416534794
Energy: -2.4351721073171566
Energy: -2.072313387083611
Energy: -2.1999687727684485
Energy: -2.9243448710848914
Energy: -2.6739414418831906
Energy: -2.440249883429257
Energy: -2.3516751295925737
Energy: -2.0937065889140936
Energy: -2.1553299300359674
Energy: -2.079236221982127
Energy: -1.9558932886025189
Energy: -2.337663322668071
Energy: -2.2267830732643725
Energy: -2.261946067910362
Energy: -2.2910937438822074
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Energy: -2.66401434705755
Energy: -2.8422573454191054
Energy: -2.436591757017501
Energy: -2.25085524423293

minimum gb energy = -3.1954153688742077 eV
minimum distance =  2.27332771457077 Angstroms
sigma value = 11


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

Energy: -3.0415005073153734
Energy: -3.941087734445166
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Energy: -3.3400203697213904
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Energy: -3.1906505550508713
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Energy: -3.5439661050578253
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Energy: -3.9261699770664564
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Energy: -3.237326803534015
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Energy: -3.1376631006499274
Energy: -4.287209656520048
Energy: -4.055668540870067
Energy: -3.804176478756271
Energy: -4.4272662401934255
Energy: -3.6641974630688163
Energy: -3.5564095287291844
Energy: -4.056338969751263
Energy: -3.976845332928973
Energy: -3.8799299448449176
Energy: -3.9838666654463717
Energy: -4.123342316808364
Energy: -2.7391636335720673
Energy: -3.34886723399711
Energy: -4.015683013992172
Energy: -3.8890406327291616
Energy: -3.8693795525277004
Energy: -3.7078831164909154

minimum gb energy = -5.0183035244729695 eV
minimum distance =  2.30868398840508 Angstroms
sigma value = 41


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

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Energy: -1.5676489579180453
Energy: -2.2161175037697576
Energy: -1.8454259731566944
Energy: -1.7281787411485043

minimum gb energy = -3.323444866536262 eV
minimum distance =  2.3036451141434 Angstroms
sigma value = 33


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

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minimum gb energy = -4.319043870551559 eV
minimum distance =  2.24728188757313 Angstroms
sigma value = 67


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

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minimum gb energy = -2.172918682566517 eV
minimum distance =  2.37386366719957 Angstroms
sigma value = 3


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

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minimum gb energy = -7.646713593322781 eV
minimum distance =  2.24466905583949 Angstroms
sigma value = 81


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

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Energy: -2.2930699481135566
Energy: -2.998694194245559
Energy: -2.641302597731638
Energy: -3.134988588903902
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Energy: -3.4082589102793683
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Energy: -4.951748783731805
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Energy: -2.4768087968392902
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Energy: -2.3890631524541104
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Energy: -3.503995367707708
Energy: -4.379987763121452
Energy: -3.1269240807762158
Energy: -1.7743311873858831
Energy: -1.7527641976587334
Energy: -3.153897447528442
Energy: -2.1072699412632243
Energy: -1.6233757655490961
Energy: -2.697987313053581
Energy: -2.7804389864436767
Energy: -2.983763414683143
Energy: -3.7167987760398105
Energy: -3.7409931197550206
Energy: -2.943737529408525
Energy: -1.6267454613906827
Energy: -2.126361312630109
Energy: -2.02808145053127
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Energy: -1.7671098197601829
Energy: -4.459226724157726
Energy: -2.850497800225901
Energy: -3.680019501276412
Energy: -2.1711929564060752
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Energy: -2.8948447766097742
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Energy: -3.2371001698977317
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Energy: -3.7995163405259005
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Energy: -2.91840146279594
Energy: -1.9783070755985595
Energy: -3.9782171196308855
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Energy: -2.6912135177301466
Energy: -2.4750412903295964
Energy: -4.0270013683738375
Energy: -3.1236727802456725
Energy: -3.210510533270522
Energy: -3.7633289891939654
Energy: -2.1812415610559683
Energy: -2.7854479781453123
Energy: -4.561232142924494
Energy: -4.300387517213689
Energy: -3.1225058303552893
Energy: -4.875583987578521
Energy: -2.1592293379795824
Energy: -2.431167525879477
Energy: -3.4022486702889863
Energy: -2.5243924761167533
Energy: -3.79831866857622
Energy: -3.0561093807488606
Energy: -3.658112448118455
Energy: -1.6387284311171868
Energy: -3.344566123132389
Energy: -1.772334868524987
Energy: -2.1462052242627094
Energy: -4.453239576049675
Energy: -1.5454209709004088

minimum gb energy = -5.028111359486753 eV
minimum distance =  2.3945250509953 Angstroms
sigma value = 43


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

Energy: -1.4113971040426303
Energy: -1.415646136255448
Energy: -1.3977530035237045
Energy: -3.389442207810193
Energy: -1.2585735831477756
Energy: -3.2092593734676043
Energy: -2.10847605731413
Energy: -1.8208513539146842
Energy: -1.7732857572776735
Energy: -1.6840769039048438
Energy: -2.183834494886442
Energy: -2.602664204663077
Energy: -1.8097548873947655
Energy: -3.0299855945014915
Energy: -3.2905173121399085
Energy: -2.0028788561072277
Energy: -2.288056713563807
Energy: -2.02795940345393
Energy: -2.2075567889887715
Energy: -2.874271407280378
Energy: -3.4219430077659805
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Energy: -2.031748064502343
Energy: -2.2294063623505904
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Energy: -1.8684188680508824
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Energy: -1.9995216469505348
Energy: -1.9324556129358799
Energy: -2.767132796286147
Energy: -1.8512071776108119
Energy: -2.048238803052777
Energy: -2.075197684935307
Energy: -2.0156551752990017
Energy: -3.2100375811940878
Energy: -1.9667349791468958
Energy: -1.9712877629877052
Energy: -2.0185904405606188
Energy: -1.8637244726259643
Energy: -1.7450069183093342
Energy: -2.3049172750763818
Energy: -1.7693899934011177
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Energy: -1.8143509701014497
Energy: -2.1538311573393645
Energy: -3.4192144776062112
Energy: -1.9540066634423532
Energy: -2.474101038200545
Energy: -3.3131717872493285
Energy: -1.8863191238217554
Energy: -2.177218018219921
Energy: -2.0529326519442845
Energy: -2.1627577706468695
Energy: -2.502822345853041
Energy: -1.9428251298339312
Energy: -1.8959591856694697
Energy: -1.9739928437859287
Energy: -1.768955480437482
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Energy: -1.7686277430562034
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Energy: -3.0224714265231354
Energy: -3.1658280581642733
Energy: -3.6677023924498227
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Energy: -3.2809034032138875
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Energy: -3.0933095007289895
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Energy: -1.5262030954982073
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Energy: -3.0692898552632455
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Energy: -1.5727033549127976
Energy: -1.892809281437715
Energy: -2.3247446636048394
Energy: -1.7212744175915216
Energy: -1.7667940066077525
Energy: -1.5922454168459155
Energy: -2.757838763481546
Energy: -1.3950123171711208
Energy: -2.785954972195851
Energy: -2.486609943947397
Energy: -2.2646732008825214
Energy: -2.3215989559461105
Energy: -2.4809035619642335
Energy: -2.0284770091416346
Energy: -1.703789590394955
Energy: -2.3225180870008635
Energy: -2.0093506624310074
Energy: -3.6375238060956336
Energy: -3.723911989694488
Energy: -1.7659792605988773
Energy: -3.2316364208688
Energy: -3.3833385191533387
Energy: -1.9474177894946965
Energy: -1.8283719111317147
Energy: -1.7717056665992232
Energy: -1.958754712052715
Energy: -1.9317795032144665
Energy: -1.9268485137601912
Energy: -2.252910643807505
Energy: -1.904051409644275
Energy: -2.297228077721657
Energy: -2.370578674074729
Energy: -2.994644627556929
Energy: -1.681922762230423
Energy: -2.2235200284368637
Energy: -1.8048327003806637
Energy: -1.8995601901162982
Energy: -1.741279063769348
Energy: -1.969114784174759
Energy: -1.6933073188113226
Energy: -2.1448007030532796
Energy: -2.621091759980563
Energy: -1.7840585528426518
Energy: -2.974928160079697
Energy: -2.854562820432258
Energy: -1.761396248950563
Energy: -1.9040455903369877
Energy: -2.9844433026860853
Energy: -2.9523012087423375
Energy: -1.5397235598516246
Energy: -3.3837597161854016
Energy: -1.7776467995551128
Energy: -1.9911892254918293
Energy: -1.3980485978941362
Energy: -1.4686263340459305
Energy: -1.6533470928156824
Energy: -1.7229787883177854
Energy: -1.7851018851508906
Energy: -1.7467865366098545
Energy: -1.4185643843549167
Energy: -1.5697175791500804
Energy: -2.0667849016606796
Energy: -1.5806688361863757
Energy: -1.4432691170182725

minimum gb energy = -3.723911989694488 eV
minimum distance =  2.33035397469923 Angstroms
sigma value = 57


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

Energy: -2.198194271056602
Energy: -2.133835063798775
Energy: -2.1401563943924597
Energy: -1.7360182577768757
Energy: -2.1465020865348627
Energy: -2.0079208873785404
Energy: -2.824617430778896
Energy: -2.99197868377046
Energy: -2.649120974863296
Energy: -2.5597589789922406
Energy: -2.293161773478222
Energy: -2.5838959082380684
Energy: -2.8590876246636503
Energy: -1.9840852015109645
Energy: -2.102232768510543
Energy: -2.3830106525998747
Energy: -1.9213905739557646
Energy: -2.1042039145140787
Energy: -2.6932645851926047
Energy: -1.6734802481123625
Energy: -2.9241871194392792
Energy: -2.032340884994852
Energy: -2.7967505370486014
Energy: -2.6271890827496156
Energy: -3.0353383476228335
Energy: -2.9714701791803364
Energy: -3.089269074116762
Energy: -2.6107984001629396
Energy: -2.608595940512268
Energy: -3.3267511247386135
Energy: -2.858134307224064
Energy: -2.7375332713033145
Energy: -2.29102660112797
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Energy: -1.6219351198639984
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Energy: -2.945677795587591
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Energy: -2.047267603495954
Energy: -3.5791323398510135
Energy: -2.268402470830624
Energy: -2.599456669596613
Energy: -2.461191919964601
Energy: -2.149484881650126
Energy: -2.0892047168429064
Energy: -3.774483691110971
Energy: -2.033951326079202
Energy: -1.9941942077480828
Energy: -3.0062280276038607
Energy: -2.006931796484176
Energy: -2.3806783548849824
Energy: -2.7678026652679026
Energy: -2.8430592719258034
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Energy: -1.6728583555756669
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Energy: -2.4940071525221543
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Energy: -2.0205566825066636
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Energy: -2.8403830754520456
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Energy: -2.285011354431536
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Energy: -2.1548765009618944
Energy: -2.149481032377553
Energy: -2.0166749144302103
Energy: -2.166643507368002
Energy: -2.3827509253255856
Energy: -3.0016258060334553
Energy: -1.9807894546625326
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Energy: -2.948087561195005
Energy: -2.028683559479588
Energy: -2.138410338749853
Energy: -2.9382527682254818
Energy: -2.326404686450606
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Energy: -3.2802803785370176
Energy: -1.7044810994191604
Energy: -2.4519638641667205
Energy: -2.9378939928546774
Energy: -3.225788094297902
Energy: -2.518259347516017
Energy: -2.2223410293841854
Energy: -2.486957305334907
Energy: -2.4042715313219563
Energy: -2.9516109586648236
Energy: -2.359809877899735
Energy: -2.81819463594061
Energy: -3.11335322361276
Energy: -1.9570777408736315
Energy: -2.483484263740615
Energy: -2.8487706965539763
Energy: -2.016163530083008
Energy: -2.658163126712291
Energy: -2.6335946506396377
Energy: -2.1053612379079656
Energy: -2.2005865469675983
Energy: -2.606014979595924
Energy: -2.048186649832806
Energy: -3.131937926426172
Energy: -3.002601667084072
Energy: -2.4179752431974864
Energy: -2.9242117782024164
Energy: -2.652410135963784
Energy: -1.9317884761840067
Energy: -1.8369959364031254
Energy: -2.0495870613386695
Energy: -3.145329123779024
Energy: -1.7054143522722014
Energy: -3.005252269896848
Energy: -2.981526050358916
Energy: -2.539290400209658
Energy: -2.6325969840785715
Energy: -2.8662686057943105
Energy: -2.3582345667421896
Energy: -2.2398588422647956
Energy: -2.4682829880097104
Energy: -2.2016385037695567
Energy: -1.5330542997601642
Energy: -2.4133163518922873
Energy: -2.20201063090339

minimum gb energy = -3.774483691110971 eV
minimum distance =  2.3501445557751 Angstroms
sigma value = 17


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

Energy: -3.0626902137733225
Energy: -2.367510553076335
Energy: -2.360999304356369
Energy: -2.1462554787661063
Energy: -2.04551673469011
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Energy: -2.254442378805492
Energy: -1.9908496787079202
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Energy: -2.2175054666071925
Energy: -2.044039313232727
Energy: -1.9781627998314708
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Energy: -1.917497090879405
Energy: -1.9540862457556547
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Energy: -2.123394302886707
Energy: -2.2348999837937464
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Energy: -2.4019134686511125
Energy: -2.2968645779414536
Energy: -2.455710301712928
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Energy: -3.2022292693873933
Energy: -2.0203321939731858
Energy: -2.377368127336141
Energy: -2.218972037728425
Energy: -2.1501375987745748
Energy: -2.7179469616794107
Energy: -3.4031314818642695
Energy: -2.747192044775832
Energy: -2.101373367126816
Energy: -3.092835377821458
Energy: -2.425084580164687
Energy: -2.2414501729902434
Energy: -3.22398753133388
Energy: -2.3512176063183228
Energy: -2.6199457040503877
Energy: -2.025609126587987
Energy: -2.1100606057000806
Energy: -1.9404677501166743
Energy: -3.127810767049271
Energy: -2.157909083862865
Energy: -2.2588546664619007
Energy: -2.345023582630964
Energy: -2.017461797855612
Energy: -2.2316326260486146
Energy: -3.2657122282904667
Energy: -2.1493548059055843
Energy: -2.0072964252626306
Energy: -2.2570637731566268
Energy: -2.0822122535260426
Energy: -2.031442444824321
Energy: -2.951131723891578
Energy: -2.189281766420129
Energy: -2.3069346307540104
Energy: -2.000794351434544
Energy: -2.196996286623313
Energy: -2.210905861414994
Energy: -2.9451459266156106
Energy: -2.390708979249655
Energy: -2.344172922642158
Energy: -1.800734467221924
Energy: -2.4328061995846486
Energy: -2.2736165832185584
Energy: -3.3565087089114494
Energy: -2.2839217991223695
Energy: -2.117246368504372
Energy: -2.020948536628337
Energy: -2.1513202356383236
Energy: -2.047295750734129
Energy: -3.53755966744368
Energy: -2.2190807747022503
Energy: -2.2942085228703237
Energy: -2.151597433951482
Energy: -2.1120173160317655
Energy: -2.0951547306133786
Energy: -3.0744960789395157
Energy: -2.2276624338524904
Energy: -2.13762759253358
Energy: -2.2581949909496517
Energy: -2.187141703608933
Energy: -2.1807100129164856
Energy: -2.519648516082409
Energy: -2.41491771699341
Energy: -2.2282784972711234
Energy: -1.9702680454966457
Energy: -2.3250648601428905
Energy: -1.948722154908086

minimum gb energy = -3.53755966744368 eV
minimum distance =  2.29387375280942 Angstroms
sigma value = 17


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

Energy: -3.6873446499967315
Energy: -2.9548581250448027
Energy: -2.7985780272089786
Energy: -2.8836313432698404
Energy: -2.8291581812313136
Energy: -2.7985824135879485
Energy: -4.563681322426019
Energy: -3.153196090334006
Energy: -3.198192921553953
Energy: -2.997353638745569
Energy: -2.824497715885736
Energy: -3.1312777077461416
Energy: -3.65912445857664
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Energy: -3.0816380722167196
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Energy: -3.033541244082798
Energy: -4.505463723240217
Energy: -3.2221001380626015
Energy: -2.9805747522190997
Energy: -3.430333512825869
Energy: -3.13599500940693
Energy: -2.830905096029116
Energy: -4.534946282560629
Energy: -3.0806661885025686
Energy: -2.968845760583596
Energy: -3.4678975559355685
Energy: -2.940133160297247
Energy: -2.9182551564647885
Energy: -4.593312135899168
Energy: -3.135933164592876
Energy: -2.886898830522878
Energy: -2.924406357662868
Energy: -3.1378520993646735
Energy: -2.8310989121031427
Energy: -4.544035903878331
Energy: -3.203213781878325
Energy: -3.1714572933153207
Energy: -3.450331133220551
Energy: -2.6649838177120393
Energy: -3.016408845183041
Energy: -4.393083783609503
Energy: -3.072451296531149
Energy: -2.9602305706387786
Energy: -2.930419538899439
Energy: -3.159673920015315
Energy: -3.0107713694499596
Energy: -4.128914563694859
Energy: -3.29533093679052
Energy: -2.927796545881553
Energy: -3.0239913824539277
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Energy: -2.576632599365791
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Energy: -3.5711525272855695
Energy: -2.760284989090805
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Energy: -2.5665571359827486
Energy: -3.257403640612818
Energy: -3.126347008118097

minimum gb energy = -5.026538144635626 eV
minimum distance =  2.33767759490756 Angstroms
sigma value = 57


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

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Energy: -3.8910024903981095
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Energy: -4.860896062001608
Energy: -4.108563707728508
Energy: -4.091491249412399
Energy: -4.191055951902571
Energy: -4.283677062782011
Energy: -4.044169205089733
Energy: -4.135836835474535
Energy: -3.820897561555137
Energy: -3.747216528177937
Energy: -3.916176754525845
Energy: -4.023829055936378
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Energy: -4.190332400019135
Energy: -4.226459273018603
Energy: -4.132168972393408
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Energy: -4.416569684653437
Energy: -4.289672010056251
Energy: -3.605152963370811
Energy: -4.444495403004277
Energy: -3.7681025667769146

minimum gb energy = -6.142801050069413 eV
minimum distance =  2.31334499343604 Angstroms
sigma value = 43


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

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Energy: -2.922589288332487
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Energy: -2.6246261716768458
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Energy: -2.4751531109240705
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Energy: -3.361483105859051
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Energy: -3.193318264968337
Energy: -2.734625135061665
Energy: -2.2293289879084663
Energy: -3.339897750048879
Energy: -2.573090123542448
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Energy: -2.8820646512115053
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Energy: -2.664879427046682
Energy: -3.1066502244516747
Energy: -2.5639242034577476
Energy: -2.799534393929842
Energy: -2.4096395400047808

minimum gb energy = -4.617650955265297 eV
minimum distance =  2.31456020135857 Angstroms
sigma value = 81


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

Energy: 0.14557510300254098
Energy: -0.6738319710689681
Energy: -1.0714063045999356
Energy: 0.010235901998274349
Energy: -1.428295141110623
Energy: 0.20197415904830507
Energy: 0.1416801641076341
Energy: -1.3012344546493293
Energy: -1.5842223488205995
Energy: -1.2816314477592212
Energy: -1.3682017010820802
Energy: -1.7245590914453361
Energy: -1.966466691096495
Energy: -0.07010646459583632
Energy: -0.07627338054836277
Energy: -1.0976861592993734
Energy: -0.06987088140249743
Energy: -0.07622836615916595
Energy: -0.9073343229137089
Energy: -0.06973277865943626
Energy: -0.11443095477375939
Energy: -1.463223567326877
Energy: -0.07008195868775233
Energy: -0.07600308415493565
Energy: -0.13181499839191219
Energy: -1.0332172165516638
Energy: -0.9453083798771192
Energy: -0.13461242461885306
Energy: -1.0878082729875465
Energy: -1.3094308760197668
Energy: 0.009683273037006907
Energy: -1.1496876214836282
Energy: -1.1488212787374095
Energy: 0.01049729204014793
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Energy: -0.9420267687980665
Energy: -1.5531102935381802
Energy: -1.1452186325962905
Energy: -1.2154571914695442
Energy: -1.0427782347816297
Energy: -1.4064906449537122
Energy: -1.1351447430362223
Energy: -1.23944793543209
Energy: -0.027854116170080063
Energy: -0.07617643564787485
Energy: -1.1555207254941575
Energy: -0.027591598585214663
Energy: -0.07637584105376052
Energy: -1.7516427214822778
Energy: -0.06994427510374168
Energy: -0.11489419920470491
Energy: -1.3094859468853448
Energy: -0.07008698970010789
Energy: -0.11511354104362037
Energy: -2.1100496615911655
Energy: -1.4832574101709943
Energy: -1.2829156391721612
Energy: -0.13514756620629872
Energy: -1.5002320817560395
Energy: -1.199142523169229

minimum gb energy = -2.1100496615911655 eV
minimum distance =  2.3112586483375 Angstroms
sigma value = 3


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

Energy: -1.5007053040266338
Energy: -2.094466839681089
Energy: -2.086151172733562
Energy: -1.759544019882781
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Energy: -3.5159636712555544
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Energy: -2.5919370468443064
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Energy: -3.8790724478883973
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Energy: -1.5093875050737662
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Energy: -1.4200405178311977
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Energy: -4.556950265054591
Energy: -3.6130722965747455
Energy: -3.101569329986153
Energy: -2.2505268124213407
Energy: -3.4074272581747342
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Energy: -2.6528378400678716
Energy: -2.451963633820153
Energy: -4.221844250756639
Energy: -3.780105352990769
Energy: -2.3201258747211826
Energy: -1.1880871212264859
Energy: -3.9456658140927043
Energy: -3.944386456585184
Energy: -3.612713369372803
Energy: -3.497076879302489
Energy: -3.973969221196007
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Energy: -2.5239231039750862
Energy: -3.5724017329186872
Energy: -2.4841555258917176
Energy: -2.4218671856571294
Energy: -3.5213275633464036

minimum gb energy = -4.742031389421148 eV
minimum distance =  2.32194105129873 Angstroms
sigma value = 67


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

Energy: -2.2639649473126444
Energy: -3.6045688579938764
Energy: -2.959285648646118
Energy: -1.6070715125637989
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Energy: -3.700003561121884
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Energy: -4.556611150441754
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Energy: -4.988451807134998
Energy: -4.548868536214558
Energy: -4.681924971759793
Energy: -4.942973663806903
Energy: -5.027877689017376
Energy: -6.527269627872237
Energy: -4.8108644372989025
Energy: -4.144204172579937
Energy: -6.07313824353476
Energy: -6.451456447636821
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Energy: -2.222181949635166
Energy: -3.894532062051367
Energy: -5.148803398124245
Energy: -4.143649339333956
Energy: -4.683193703925587
Energy: -4.7443880377029695

minimum gb energy = -6.915531377429324 eV
minimum distance =  2.31826305969752 Angstroms
sigma value = 33


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

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Energy: -2.9879752262159465
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Energy: -3.3069909860805193
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Energy: -2.946366191681052
Energy: -3.6736355027158982
Energy: -2.9807255466780243
Energy: -2.5160314711823584
Energy: -2.8572142034914103
Energy: -3.222929954486862
Energy: -3.103056029044409
Energy: -2.7345050514812757
Energy: -2.827326915747688
Energy: -3.3174370155401287
Energy: -2.6290501172285645
Energy: -4.297804288044495
Energy: -3.0222926489661215
Energy: -3.0059644666102936
Energy: -2.767139720048654
Energy: -3.0235582043465077
Energy: -2.740116248676306
Energy: -2.6522229151889416
Energy: -3.887468420218929
Energy: -1.4778486487378046
Energy: -2.1615821378444107
Energy: -2.7377689824280376
Energy: -4.313113666366886
Energy: -2.3453760516709727
Energy: -4.129304589278103

minimum gb energy = -5.839120704330352 eV
minimum distance =  2.26372697592349 Angstroms
sigma value = 41


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

Energy: -0.27968923255446004
Energy: -1.4296404219128345
Energy: -1.4687874714604314
Energy: -2.6353861039557147
Energy: -1.9170702170401308
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Energy: -2.824008825648538
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Energy: -2.087612840300463
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Energy: -1.4910226449481754
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Energy: -2.4703351230463824
Energy: -2.353424686990912
Energy: -2.1040099892280164
Energy: -2.808790275079162
Energy: -2.681295814167817
Energy: -2.648934055239185
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Energy: -2.539484537164744
Energy: -2.495751169302369
Energy: -2.639500175521972
Energy: -2.4142028995865967
Energy: -2.519423035347499
Energy: -2.827687468979352
Energy: -2.1322389712788836
Energy: -2.308245409202896
Energy: -3.225041899857386
Energy: -1.8207317770975386
Energy: -1.8138767951491923
Energy: -2.84454412351439
Energy: -1.688550281462237
Energy: -2.1558838498111523
Energy: -1.2046904590066214
Energy: -2.9967468027417006
Energy: -2.241113072832122
Energy: -1.5943160013038837
Energy: -2.290817122635705
Energy: -2.4527140289059766
Energy: -2.0260838293054153
Energy: -2.4162734792386846
Energy: -2.666428052554087
Energy: -2.3943007117602755
Energy: -2.89906206076138
Energy: -2.6751986600099604
Energy: -2.4340836081733195
Energy: -2.7417952942902986
Energy: -2.804141018129296
Energy: -2.807617518481533
Energy: -2.8882096850895222
Energy: -2.9648721689811923
Energy: -2.3367498553798054
Energy: -1.9582593045053653
Energy: -2.464480044830928
Energy: -2.702894573247073
Energy: -1.7088448507118572
Energy: -2.708135002271847
Energy: -2.375240091023942
Energy: -2.7409443923448578
Energy: -2.4319666305547694
Energy: -2.635887898444207
Energy: -2.468596277835784
Energy: -2.6042669929014197
Energy: -1.6118531594297203
Energy: -3.1076466972164334
Energy: -1.3975470383613366
Energy: -2.1277190432382618
Energy: -3.0870163348126987
Energy: -1.944526655235865
Energy: -2.3168844530880714
Energy: -2.597883466862187
Energy: -2.5604664581802394
Energy: -2.133589712340244
Energy: -2.059196464903002
Energy: -2.608580710514441
Energy: -3.534027372673169
Energy: -2.0767323588608595
Energy: -1.5143361840429772
Energy: -2.9201481558892732
Energy: -1.8831432935167598
Energy: -1.6291744240944637

minimum gb energy = -3.534027372673169 eV
minimum distance =  2.34603470467748 Angstroms
sigma value = 11


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

Energy: -1.9622171326059412
Energy: -2.276548038094256
Energy: -1.1567565409322134
Energy: -0.7344539676318759
Energy: -2.109863496688816
Energy: -1.604704581385392
Energy: -1.6519804176128752
Energy: -2.196965840321317
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Energy: -2.1332566745392483
Energy: -2.603133136446556
Energy: -2.0015157990322354
Energy: -1.788467116236905
Energy: -2.027333775660386
Energy: -2.508925918778361
Energy: -1.6431793809496982
Energy: -2.4463682275877723
Energy: -2.177695289807981
Energy: -2.1300013245806673
Energy: -2.102370905784621
Energy: -3.2714137282500713
Energy: -2.329909094682282
Energy: -2.343961206148459
Energy: -2.203314147453645
Energy: -1.7710102572031676
Energy: -2.7147801708308594
Energy: -2.709250804597088
Energy: -2.900290224906126
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Energy: -2.376350665703703
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Energy: -2.882592314198298
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Energy: -3.0185692842142346
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Energy: -2.9495217806563647
Energy: -2.166537267431363
Energy: -1.6880814541456148
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Energy: -2.55305177167963
Energy: -1.5706873337413034
Energy: -2.2624634918429187
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Energy: -2.4100630244256736
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Energy: -2.327201571807667
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Energy: -2.3199597236894984
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Energy: -2.6341870263461704
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Energy: -2.6512526533837764
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Energy: -1.7569874425761602
Energy: -2.2665752245243915
Energy: -2.2287292307824123
Energy: -3.2272985399335434
Energy: -1.6173023939344027
Energy: -1.671321647252578
Energy: -1.8581861846379208
Energy: -2.0788390648181765
Energy: -1.9350567837334163
Energy: -2.808916368942077
Energy: -1.62837681957188
Energy: -1.7338328075925002
Energy: -1.6549559377105032
Energy: -1.7538758064176263
Energy: -1.8375925577285213
Energy: -1.7042933844896166
Energy: -1.5852786613907808
Energy: -1.7054923770783788
Energy: -2.5893823538862932
Energy: -2.121216606826498
Energy: -1.774037880450872
Energy: -1.3544478345805175
Energy: -2.09089228981029
Energy: -2.623452149170904
Energy: -1.8411243135625315
Energy: -1.8846241832605333
Energy: -1.971887746753243
Energy: -3.2745361538643083
Energy: -1.8248353844919956
Energy: -2.062935546316695
Energy: -2.8638100991964954
Energy: -3.356915182882366
Energy: -1.7371318117283263
Energy: -1.75866329548316
Energy: -1.6802115756705793
Energy: -2.1288589652897194
Energy: -2.1029597039421493

minimum gb energy = -3.4760527911482093 eV
minimum distance =  2.27352430084033 Angstroms
sigma value = 57


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

Energy: -0.3087417505396745
Energy: -0.7872522922832406
Energy: -1.255104000397915
Energy: -1.0145877620307207
Energy: -1.583020681523893
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Energy: -1.657643998753159
Energy: -1.4944361263510781
Energy: -1.408256455440708
Energy: -1.7608238308817865
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Energy: -1.1403827260303834
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Energy: -4.3715606721088704
Energy: -1.4195814655780297
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Energy: -2.0317435660612033
Energy: -2.0025644304772117
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Energy: -1.2315518816680158
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Energy: -1.9967235912329588
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Energy: -1.9535741354902822
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Energy: -1.6922624379735212
Energy: -0.9964553822104327
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Energy: -1.2474740150149874
Energy: -1.4360029781969776
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Energy: -1.3437643977768108
Energy: -1.428122049320786
Energy: -1.7459046261821687
Energy: -1.440623173585918
Energy: -1.7687955478270552
Energy: -1.7575696305085777
Energy: -1.4809467662957663
Energy: -1.6771275620739097
Energy: -1.7955566115273787
Energy: -1.758120659839807
Energy: -1.2951382887443184
Energy: -1.196036200114829
Energy: -1.442053701141123
Energy: -1.4480941802069343
Energy: -1.544144049703861
Energy: -1.878037841782456
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Energy: -1.5473185048211247
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Energy: -1.7294910092180427
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Energy: -1.7749015588036743
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Energy: -1.6630562572045595
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Energy: -0.9626900941024594
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Energy: -1.28901491039686
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Energy: -2.2383760911741115
Energy: -1.4793655605723428
Energy: -1.6321414577736812
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Energy: -1.9648742962679204
Energy: -2.0255199602687095
Energy: -1.7252789870014487
Energy: -1.6212714437626516
Energy: -4.131243818254247
Energy: -3.4355125936801256
Energy: -1.4039209248225668
Energy: -1.9805510293550812
Energy: -1.5733249764410633
Energy: -1.737571075497372
Energy: -1.752046512208784
Energy: -1.5694686773036475
Energy: -1.756757098140935
Energy: 0.7312612817550104
Energy: -1.531058396949421
Energy: -1.0307086572455073
Energy: -0.8580161474395481
Energy: -1.5521334527407442
Energy: -1.5070713830381959
Energy: -1.5774608646245452
Energy: -1.5897290312571604
Energy: -1.553136315044243
Energy: -1.4124512836776897
Energy: -1.4153161247720625
Energy: -1.4159589869983098

minimum gb energy = -4.3715606721088704 eV
minimum distance =  2.2751612516557 Angstroms
sigma value = 9


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

Energy: -3.2049938683983017
Energy: -2.3420703493105854
Energy: -2.1719300972238536
Energy: -2.400381301220932
Energy: -2.309490612157658
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Energy: -2.3370156691661115
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Energy: -2.5170552842528537
Energy: -2.005970604156781
Energy: -2.1729471424674482
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Energy: -2.988644186110389
Energy: -2.421335514221389
Energy: -2.327151905584569
Energy: -3.160465497156844
Energy: -2.3799447069823745
Energy: -3.9873492170856095
Energy: -2.2349078804427442
Energy: -4.163222043995353
Energy: -2.559150111790377
Energy: -2.3001086850988077
Energy: -2.32303469605274
Energy: -2.80269724236156
Energy: -2.5133182416094506
Energy: -3.2895746432747752
Energy: -2.4474687934138357
Energy: -2.453070617483916
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Energy: -2.6405790368908493
Energy: -2.564722109057323
Energy: -2.552570921317879
Energy: -2.6578947646357323
Energy: -2.6586670777251604

minimum gb energy = -5.436142648104834 eV
minimum distance =  2.29944571195392 Angstroms
sigma value = 27


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

Energy: -1.026499867422375
Energy: -2.893950609924632
Energy: -2.9769891102410666
Energy: -2.7978010690425394
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Energy: -2.8947371836414333
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Energy: -2.5220531332832143
Energy: -2.3047865947914308
Energy: -3.4326153697785595
Energy: -3.208581989146493

minimum gb energy = -4.405527932372976 eV
minimum distance =  2.22348178068854 Angstroms
sigma value = 19


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

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Energy: -0.5419868904737932
Energy: -1.734983511550445
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Energy: -1.241099862799453
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Energy: -1.5801242084805576
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Energy: -1.8784593768147533
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Energy: -1.6467001858677779
Energy: -1.5180892407142836
Energy: -1.5773750107923725
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Energy: -1.4369324787507045
Energy: -1.5469451857224792
Energy: -1.6385807400859171
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Energy: -1.6746390542489555
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Energy: -1.517960003736308
Energy: -1.9003146708671899
Energy: -1.1791043034694135
Energy: -1.685450307379168
Energy: -1.108898619095354

minimum gb energy = -3.4616880752371797 eV
minimum distance =  2.28932756283584 Angstroms
sigma value = 101


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

Energy: -2.0240913122914352
Energy: -1.2102763126009488
Energy: -1.102096321656647
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Energy: -1.565798529114512
Energy: -1.6023806775830756
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Energy: -1.8057321008340192
Energy: -2.0379957723663527
Energy: -3.094137054990787
Energy: -1.6540384729342372
Energy: -1.7444134178439616
Energy: -1.718214627331935
Energy: -1.7801822233669489
Energy: -1.7632682256297507
Energy: -1.5533189835588432
Energy: -1.5457145472972842
Energy: -1.567265898577687
Energy: -1.6314548324066842
Energy: -1.4276181105829415
Energy: -2.462920769150053
Energy: -3.3456615459858914
Energy: -4.123426832124792
Energy: -1.4239285608692842
Energy: -1.377295842014255
Energy: -1.8340414545075634

minimum gb energy = -4.123426832124792 eV
minimum distance =  2.31770768834769 Angstroms
sigma value = 33


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

Energy: 0.017051582942734157
Energy: -2.1060174287189395
Energy: -1.6448123182462933
Energy: 0.018190561697673885
Energy: -3.346662140888382
Energy: -3.242519346908057
Energy: 0.017694868270415713
Energy: -3.2203414648667263
Energy: -3.1147455712580454
Energy: -1.440486866930962
Energy: -3.87997126613015
Energy: -2.081523421856626
Energy: 1.2469082889423457
Energy: -3.2302460498964307
Energy: -2.1171332816426407
Energy: -2.037859183587001
Energy: -2.308107362127778
Energy: -2.2382907593094905
Energy: 0.25227353184208984
Energy: -4.410556515692189
Energy: -2.2266710878049385
Energy: -1.4404773852516888
Energy: -2.516444687239328
Energy: -2.0986497686114314

minimum gb energy = -4.410556515692189 eV
minimum distance =  2.41459758849848 Angstroms
sigma value = 1