Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_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=3.658364850282671
cohesive_energy=4.002359338939786
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: 0.01507161226319707
Energy: -3.90056518561876
Energy: 0.016076434844195166
Energy: 0.016106702134350677
Energy: 0.5555128093020228
Energy: 0.020113462800011736
Energy: -3.868503186868257
Energy: 0.028693321408258924
Energy: 0.031156451395485812
Energy: 0.03241389024119874
Energy: 0.029561638125611325
Energy: 0.028286143235107926
Energy: 0.016076434844195166
Energy: 0.03115634580451932
Energy: 0.02847949281680183
Energy: 0.01592369360602582
Energy: 0.028224100492670635
Energy: 0.029372571998657435
Energy: 0.01610670213496311
Energy: 0.03243045871348406
Energy: 0.015923693606332036
Energy: 0.01664781544906106
Energy: 0.03298575177154005
Energy: 0.016000753873303304
Energy: 0.5555129162675656
Energy: 0.029561676724018566
Energy: 0.028224069961937194
Energy: -5.065829172856003
Energy: 0.03114738445820757
Energy: 0.027819081787582387
Energy: 0.020113462799433324
Energy: 0.028283981672109312
Energy: 0.029372164561328552
Energy: 0.016000753874800367
Energy: 0.027792865435993973
Energy: 0.015752563299851276

minimum gb energy = -5.065829172856003 eV
minimum distance =  2.57328939448236 Angstroms
sigma value = 1


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

Energy: 0.6858991985463369
Energy: -5.004580338530757
Energy: -2.8159089346427035
Energy: -2.4928759711249615
Energy: -3.966272720916314
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Energy: -2.719291020126075
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Energy: -3.066140163955774
Energy: -4.350000034058258
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Energy: -2.7901562330867784
Energy: -3.3304741432524585
Energy: -2.9864255941952877
Energy: -2.9995590542806156
Energy: -2.6840166123654807
Energy: -3.1636872424234355
Energy: -4.169262929726541
Energy: -2.8893560749245037
Energy: -2.9098317284236104
Energy: -2.5906440642261503
Energy: -2.7001605884993576
Energy: -4.565647190548714
Energy: -2.6412727248744683
Energy: -4.079481530797192
Energy: -2.517995544584133
Energy: -2.7478973246016234
Energy: -2.5294985185704615
Energy: -2.474320859248453
Energy: -4.397179367101676
Energy: -3.3119370862521422
Energy: -2.537800041393137
Energy: -2.6367025495738328
Energy: -2.8350327981887027
Energy: -2.866146061294578
Energy: -3.5754717165584866
Energy: -2.846041239432108
Energy: -2.982460883774364
Energy: -2.527197569252405
Energy: -3.3348088683840746
Energy: -3.2694498524190707
Energy: -2.584923653860841
Energy: -3.6877456075619373

minimum gb energy = -5.405635582047683 eV
minimum distance =  2.30756062566516 Angstroms
sigma value = 33


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

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Energy: -2.120147093097193
Energy: -1.623034769058681
Energy: -1.6567724150143748
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Energy: -1.9657891993065364
Energy: -1.92200626853972

minimum gb energy = -4.619618409326681 eV
minimum distance =  2.32668190163415 Angstroms
sigma value = 51


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

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Energy: -1.6130030534052557
Energy: -1.5608026319300903
Energy: -1.6222424503313557
Energy: -1.7826300728356266
Energy: -1.6901062421630886
Energy: -1.8392548177617944
Energy: -1.6946646223074764
Energy: -1.582029196595831

minimum gb energy = -2.535225328484136 eV
minimum distance =  2.29390005200462 Angstroms
sigma value = 19


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

Energy: 0.624312135672693
Energy: -1.2524233163037877
Energy: -1.3776911915947987
Energy: -0.91958986999519
Energy: -1.7511610926070664
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Energy: -1.6368757099631894
Energy: -1.5410982310491308
Energy: -1.581382846017828
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Energy: -0.726449517237323
Energy: -1.4097102266440467
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Energy: -2.001471359926804
Energy: -1.6669741707394563
Energy: -1.5445718258655252
Energy: -0.3667639912127052
Energy: -1.3828282579164264
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Energy: -1.6913721400679649
Energy: -1.6921364623812858
Energy: -2.0289543918601236
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Energy: -1.690441658390808
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Energy: -0.9782276145725249
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Energy: -1.8781812883201665
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Energy: -1.6362557422069066
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Energy: -1.5829956408797663
Energy: -0.4087168836559161
Energy: -1.6218552975804474
Energy: -1.5846588727649455
Energy: -0.4330704520146848
Energy: -1.8927776985570557
Energy: -1.5922638180135964
Energy: -1.5908274065385724
Energy: -0.4218926916296779
Energy: -1.6900805548144717
Energy: -0.4001494484143681
Energy: 0.6009077653200601
Energy: -0.7320168052114019
Energy: -0.12558057201585254
Energy: -1.3654681209201196
Energy: -1.4930562154809905
Energy: -0.07391898938410729

minimum gb energy = -2.3137489540349137 eV
minimum distance =  2.30220144928258 Angstroms
sigma value = 27


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

Energy: 0.6524947088332058
Energy: -1.1709126217255208
Energy: -1.7360962047927604
Energy: -1.2422854326984751
Energy: -2.214012218785233
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Energy: -1.8903869453767423
Energy: -1.9250690729575903
Energy: -1.5487123603284896
Energy: -1.1803097756928653
Energy: -1.5370049228994322
Energy: -2.12754604944682
Energy: -2.0255616741336326
Energy: -1.6462099448477863
Energy: -2.10914510919569
Energy: -1.9174811684084145
Energy: -1.9242662064230471
Energy: -1.8067287355890589
Energy: -1.39875820803793
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Energy: -0.5930937472355203
Energy: -1.9840398315329362
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Energy: -1.6653734747260367
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Energy: -1.8370337663113925
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Energy: -2.1818982615498332
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Energy: -1.8355337558125355
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Energy: -2.167839449499457
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Energy: -1.727656640866575
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Energy: -1.7613658183075187
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Energy: -1.6998260012666435
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Energy: -1.7462528386013854
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Energy: -2.0625962596240144
Energy: -0.7235443906638191
Energy: -2.0543516502575883
Energy: -2.052392165209936
Energy: -1.7324193661486715
Energy: -2.217170623651839
Energy: -1.6940968054121144
Energy: -0.904126353691873
Energy: -1.8639711198282667
Energy: -1.9561389917132164
Energy: -1.9020958204774148
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Energy: -1.7912760998464579
Energy: -1.9180232662515424
Energy: -1.230612565507985
Energy: -2.1599480161381686
Energy: -1.6228107291466156

minimum gb energy = -2.248505203306035 eV
minimum distance =  2.33585298298183 Angstroms
sigma value = 9


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

Energy: -2.8138738755987545
Energy: -2.2450784540416833
Energy: -2.581411278959941
Energy: -2.5829147662883876
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Energy: -2.6716219653561466
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Energy: -2.537310957168322
Energy: -2.4957037998843843
Energy: -2.8264958087605194
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Energy: -2.5866979511398824
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Energy: -2.9840758387702953
Energy: -3.3340848545873625
Energy: -3.034027221331932
Energy: -2.8279868162066837

minimum gb energy = -5.6529809484887386 eV
minimum distance =  2.32811465667746 Angstroms
sigma value = 57


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

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Energy: -2.3674837561376
Energy: -2.412664008333771
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Energy: -0.292617385301578
Energy: -0.4680732257092009
Energy: -1.9937831082246984
Energy: -1.9831510634716194
Energy: -0.44764892208006524
Energy: -2.402749055836502
Energy: -0.3008717783952444
Energy: -0.46117702123470106
Energy: -0.45941721197481566
Energy: -2.2975118185942525
Energy: -0.5007615890161478
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Energy: -0.3912838334409375
Energy: -0.5570614138338289
Energy: -0.5884959168566547
Energy: -0.5487801105242645
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Energy: -1.0592041596854311
Energy: -2.0510143189272374
Energy: -0.3940870345284821
Energy: -1.3180535236517654
Energy: -1.8252883221202671
Energy: -0.7558957692964192
Energy: -0.5717137176718473
Energy: -0.5487443080990885
Energy: -0.49322744038604177
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Energy: -0.5722208406479785
Energy: -0.5683262501654073
Energy: -2.346778290736449
Energy: -1.9975594847138396
Energy: -0.7169198694842419
Energy: -2.2586022217991166
Energy: -2.199930698021103
Energy: -0.7604544849127829
Energy: -0.553864002447351
Energy: -0.5551342104728044
Energy: -0.4556176130899931
Energy: -2.389774816154195
Energy: -0.5580770570499499
Energy: -0.7907834876669736
Energy: -0.337003028578772
Energy: -0.49822378685252316
Energy: -0.39255125864332613
Energy: -0.3415767014809619
Energy: -0.38158089285387514
Energy: -0.7023805709256598
Energy: -0.39960036832775236
Energy: -0.3972364388836809
Energy: -0.35642409853980433
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Energy: -0.44025160862329643
Energy: -2.3570968925338036
Energy: -0.45403027731868156
Energy: -0.46197870103322997

minimum gb energy = -2.412664008333771 eV
minimum distance =  2.36839320632413 Angstroms
sigma value = 11


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

Energy: -4.436484805105597
Energy: -3.772944956837943
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Energy: -4.0039004958523705
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Energy: -3.2547320880499995
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Energy: -3.275636353089643
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Energy: -3.1256852924834546
Energy: -3.7419323378749763
Energy: -4.1815994849150275
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Energy: -3.4805012002006257
Energy: -3.6008218004951367
Energy: -3.925604032316046
Energy: -3.5839682031286406
Energy: -3.23732533307693
Energy: -3.763129460907448
Energy: -2.8620598334523657
Energy: -4.2332890323789565
Energy: -4.052142011917232
Energy: -3.804108664829452
Energy: -4.427176808421055
Energy: -3.6641288650804484
Energy: -3.4908592807656103
Energy: -4.038139240489026
Energy: -3.9768525151699583
Energy: -3.881436004968048
Energy: -3.9838907376678283
Energy: -4.123338034100602
Energy: -2.6803589730122117
Energy: -3.348478426155155
Energy: -4.134425157487856
Energy: -3.888303360323226
Energy: -3.845289312199333
Energy: -3.7078786761083333

minimum gb energy = -5.0204172114596854 eV
minimum distance =  2.30869264536628 Angstroms
sigma value = 41


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

Energy: -1.575140045604885
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Energy: -1.8413442863248295
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Energy: -2.0859791702528967
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Energy: -1.567332289403488
Energy: -2.216848736627189
Energy: -1.8505983604955534
Energy: -1.7279940684390314

minimum gb energy = -3.3455557248689622 eV
minimum distance =  2.30337818207019 Angstroms
sigma value = 33


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

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Energy: -2.7812401297854352

minimum gb energy = -4.293233599618222 eV
minimum distance =  2.32259583651507 Angstroms
sigma value = 67


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

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Energy: -1.6384491857021222

minimum gb energy = -2.1583687829172122 eV
minimum distance =  2.3736301497996 Angstroms
sigma value = 3


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

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minimum gb energy = -7.755814079353461 eV
minimum distance =  2.26542781942458 Angstroms
sigma value = 81


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

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Energy: -2.33000483358205
Energy: -3.9374061132166793
Energy: -4.042959758563513
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Energy: -4.171442539094716
Energy: -4.865077836071766
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Energy: -1.8690720975043487
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Energy: -3.801898444398946
Energy: -4.649938554655535
Energy: -3.3993508563621493
Energy: -3.428291741222214
Energy: -2.296899018556738
Energy: -3.96391912324541
Energy: -2.796034586490339
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Energy: -3.614920706275969
Energy: -1.9953610887206155
Energy: -4.674571197853378
Energy: -4.25452082613936
Energy: -4.390546676834684
Energy: -3.830677680463697
Energy: -1.5647410808039088
Energy: -2.3159697777252415
Energy: -3.408856808741081
Energy: -2.316649297334161
Energy: -2.6528310099494505
Energy: -3.420881671422217
Energy: -2.3338882524206936
Energy: -2.235544753047864
Energy: -4.500392110586944
Energy: -4.669495126220633
Energy: -5.084197546617025
Energy: -4.565365023539639
Energy: -4.657631875750357
Energy: -2.252702945567666
Energy: -3.9111298223469966
Energy: -3.3795839569089825
Energy: -2.8095191650393256
Energy: -3.771949052764445
Energy: -2.80742065098634
Energy: -2.265578783821514
Energy: -4.098103497616292
Energy: -4.281964521580185
Energy: -4.241677685546851
Energy: -3.077014574633132
Energy: -3.701850162077085
Energy: -2.263234635354865
Energy: -1.9730907372636814
Energy: -4.956779163667911
Energy: -3.648744463382708
Energy: -4.064066358612444
Energy: -4.504882661188636
Energy: -2.138795917239294
Energy: -2.3266741748486996
Energy: -2.2935086237608466
Energy: -3.3204626875644787
Energy: -3.886355909778486
Energy: -3.5174712394447036
Energy: -2.221829666978592
Energy: -4.721929140197894
Energy: -4.701202934194083
Energy: -2.8899827870793016
Energy: -4.779575223272474
Energy: -4.815117323835249
Energy: -2.1015731307682257
Energy: -3.2533167162467147
Energy: -3.0893060377512995
Energy: -4.281015948140082
Energy: -3.133997604898799
Energy: -3.5637779809344297
Energy: -2.1432218886715604
Energy: -4.002196092159228
Energy: -1.8444601826776208
Energy: -1.7770142281699106
Energy: -4.404917637857768
Energy: -1.3561991603671115

minimum gb energy = -5.084197546617025 eV
minimum distance =  2.38331789130691 Angstroms
sigma value = 43


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

Energy: -1.5206892112837702
Energy: -1.332650569766962
Energy: -1.3977538659694295
Energy: -3.3930779041640386
Energy: -1.2585727666548352
Energy: -2.909377645298286
Energy: -2.0989501750625403
Energy: -1.820838665014959
Energy: -1.7732860108604354
Energy: -1.6840919097995195
Energy: -2.183428437225993
Energy: -2.7420742423032545
Energy: -1.798660983044991
Energy: -3.0281904064969694
Energy: -3.393640382075026
Energy: -2.002864081828056
Energy: -2.28887510503036
Energy: -2.027955440548593
Energy: -2.1999326290894206
Energy: -2.8744501482464333
Energy: -3.3911198947302643
Energy: -2.7382726379522686
Energy: -2.0317455006277463
Energy: -2.229685432942815
Energy: -2.2561007548166936
Energy: -1.727683411372971
Energy: -1.679401713371308
Energy: -2.4021975017541863
Energy: -1.8684658695121237
Energy: -1.6728275810276796
Energy: -2.2730496535359332
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Energy: -1.6681566907690635
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Energy: -2.1427877729163924
Energy: -2.8620947981276434
Energy: -1.9995148752775282
Energy: -1.9324643462191278
Energy: -2.255776876879899
Energy: -1.851550638261835
Energy: -2.0565658641561835
Energy: -2.0748603727224584
Energy: -2.0156597826292706
Energy: -3.213925029131189
Energy: -1.9667354573168432
Energy: -1.9712887826033774
Energy: -2.0363285718223443
Energy: -1.8637197331384292
Energy: -1.7450068014282563
Energy: -2.3087658156639153
Energy: -1.7693880166069917
Energy: -1.922027239218795
Energy: -1.9711660326556526
Energy: -2.1237921905923383
Energy: -3.4183052349985097
Energy: -1.953891840517586
Energy: -2.474785164313832
Energy: -3.5086268209436082
Energy: -1.8853777530177698
Energy: -2.334472884946068
Energy: -2.052920648808332
Energy: -2.162829942900318
Energy: -2.502819713571674
Energy: -1.9400919243220198
Energy: -1.8715487721837532
Energy: -1.9741518802971736
Energy: -1.7689550270068812
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Energy: -1.8853119624152632
Energy: -1.8168507576276884
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Energy: -1.6810415240474903
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Energy: -1.8387041580143382
Energy: -1.7686278380970215
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Energy: -2.955590561138889
Energy: -3.621130677365953
Energy: -2.0949911501061163
Energy: -3.276539055469574
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Energy: -3.357921190477062
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Energy: -3.667119464818405
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Energy: -2.1491352685019893
Energy: -2.281678966760007
Energy: -2.605129921938647
Energy: -1.9555016837889398
Energy: -1.9439500021823357
Energy: -2.6796794992031816
Energy: -2.911940923238
Energy: -1.800562017677761
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Energy: -1.5261915312356016
Energy: -1.7189325737359558
Energy: -2.4411062537684556
Energy: -1.614181688020464
Energy: -1.815525543493078
Energy: -1.793275111464499
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Energy: -2.709514903743148
Energy: -2.850576036122372
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Energy: -1.7195786093230714
Energy: -1.5727030981853254
Energy: -1.894458703641902
Energy: -2.3244784500962146
Energy: -1.7229378475575066
Energy: -1.7909475716647663
Energy: -1.592119037035815
Energy: -2.790880704287623
Energy: -1.3950118390065958
Energy: -2.7855510641382653
Energy: -2.8878083204089378
Energy: -2.2794781608857697
Energy: -2.321607998940951
Energy: -2.4593248170767787
Energy: -2.0286560146690564
Energy: -1.7037893925638967
Energy: -2.3224627457721945
Energy: -2.0776059982742874
Energy: -3.6376598556140443
Energy: -3.7222519780514993
Energy: -1.7662422161430869
Energy: -3.2323679207776173
Energy: -3.355280138877521
Energy: -1.9171341241891082
Energy: -1.8283626328918612
Energy: -1.7715891201200809
Energy: -1.9587570338390088
Energy: -1.9317185958087548
Energy: -1.925522036221635
Energy: -2.279525640191497
Energy: -1.9050278438440467
Energy: -2.297198557098667
Energy: -2.3573873151258837
Energy: -2.993635095657946
Energy: -1.6819141398978585
Energy: -2.229619695793182
Energy: -1.8048420918487895
Energy: -1.8995548294506786
Energy: -1.7416935642687106
Energy: -1.9686588311614819
Energy: -1.6933069425151837
Energy: -2.1462005279507634
Energy: -2.6120677081594867
Energy: -1.7842414258278438
Energy: -2.809135862810326
Energy: -2.793965201216403
Energy: -1.7613715068860272
Energy: -1.883754569561114
Energy: -3.2014720450555423
Energy: -2.909521892692795
Energy: -1.5397191744723582
Energy: -3.6327529857029974
Energy: -1.777643756063513
Energy: -2.0038017421966923
Energy: -1.3980481463778915
Energy: -1.4686262703662791
Energy: -1.6537731987218163
Energy: -1.7233331500548776
Energy: -1.7846942646428685
Energy: -1.740932114721914
Energy: -1.4185841183282082
Energy: -1.5701677726681822
Energy: -2.0666254779768756
Energy: -1.5806871644910927
Energy: -1.443272278957706

minimum gb energy = -3.7222519780514993 eV
minimum distance =  2.33035396890164 Angstroms
sigma value = 57


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

Energy: -2.236917268997556
Energy: -1.9565586077071966
Energy: -2.1689179945634267
Energy: -1.6371496679737723
Energy: -2.0928633708669757
Energy: -2.165633479085051
Energy: -2.244271867459186
Energy: -2.5946366204642595
Energy: -2.5635281123265403
Energy: -2.309560263176043
Energy: -2.44010015026352
Energy: -2.216687430348361
Energy: -2.762069056101481
Energy: -2.230043500940614
Energy: -2.18229082869999
Energy: -2.330021164578307
Energy: -2.0269973525891176
Energy: -2.108075417818637
Energy: -3.2340726475267694
Energy: -1.8319087937931045
Energy: -1.724268427278007
Energy: -2.202236759204177
Energy: -2.0247614180042826
Energy: -2.1056480737546224
Energy: -3.166297062271294
Energy: -1.9702266037925422
Energy: -1.822594649190168
Energy: -2.4765000801772157
Energy: -2.1002419762426734
Energy: -2.896486508624048
Energy: -2.9012947616769544
Energy: -1.6933576413304787
Energy: -1.897581281020015
Energy: -2.2787201701207334
Energy: -2.2655674871729015
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Energy: -2.6777058777931217
Energy: -2.0683096643264403
Energy: -2.0635112264109416
Energy: -2.2830647590329596
Energy: -2.574374616112189
Energy: -2.3740173557306625
Energy: -2.3971425033812226
Energy: -2.2312370543277904
Energy: -2.3832150877832383
Energy: -2.417571392441375
Energy: -3.275087874592137
Energy: -2.4306752706630803
Energy: -2.623656850677724
Energy: -1.7817240995556662
Energy: -2.108048382052834
Energy: -2.0850967483116
Energy: -2.7732198254384763
Energy: -2.0419648109433908
Energy: -2.269605147119247
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Energy: -2.590288578416419
Energy: -1.8992627863503562
Energy: -2.3815581991053705
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Energy: -2.727578499405763
Energy: -2.3306717501033254
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Energy: -1.5357921279238247
Energy: -2.3716465626451204
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Energy: -1.7821996014172306
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Energy: -2.166376267969494
Energy: -2.2401191612339137
Energy: -2.387906835266877
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Energy: -2.180348948061991
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Energy: -2.313207499679442
Energy: -2.844597679003024
Energy: -2.04184186579229
Energy: -3.2111317794830456
Energy: -2.0811164653663976
Energy: -2.184117357821388
Energy: -2.2296338110076244
Energy: -2.1241923727143917
Energy: -2.3013762010774315
Energy: -3.1662314876641897
Energy: -2.2189569540607956
Energy: -2.1984194409026023
Energy: -2.2508405535802334
Energy: -2.2393497095958743
Energy: -2.2518964928382017
Energy: -3.1734727368195186
Energy: -2.1666833637639495
Energy: -2.2373343160982904
Energy: -2.2010506308167774
Energy: -1.9235167625380376
Energy: -2.4257369249764125
Energy: -3.24375836350028
Energy: -2.2890677721935355
Energy: -2.3865682117012383
Energy: -2.4722080508732827
Energy: -2.312376228470284
Energy: -2.366681405537771
Energy: -3.1513874365906163
Energy: -2.411201672662014
Energy: -2.3717849932100066
Energy: -1.9863557657054798
Energy: -2.3728113685414085
Energy: -2.367286762365403
Energy: -2.9568932500140543
Energy: -2.00572568694132
Energy: -2.0664850474010805
Energy: -2.1090990609436564
Energy: -2.1371532748141884
Energy: -2.0709274116515175
Energy: -2.7020353793384793
Energy: -2.1123688778533807
Energy: -1.8888006346175297
Energy: -1.946615295756098
Energy: -2.0618155606854804
Energy: -1.8627550077921318
Energy: -2.257797589963567
Energy: -2.1122454919166653
Energy: -2.3296457695656714
Energy: -2.159933185103015
Energy: -2.009333784130735
Energy: -2.2926475600189264
Energy: -2.7503969913761264
Energy: -2.300229760510198
Energy: -2.141869364821287
Energy: -1.53716310062405
Energy: -2.310015567577847
Energy: -2.170793754277315

minimum gb energy = -3.275087874592137 eV
minimum distance =  2.34903824138278 Angstroms
sigma value = 17


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

Energy: -3.1134933657871318
Energy: -2.2188709272560927
Energy: -2.3609790993096396
Energy: -2.1461977986773513
Energy: -2.0455206049793127
Energy: -1.8254961713597986
Energy: -3.571686000983547
Energy: -2.175525138477538
Energy: -2.2544509051077526
Energy: -1.9908538144652888
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Energy: -1.9781746289323607
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Energy: -1.9541041847722032
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Energy: -2.2995674565089015
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Energy: -2.0096487351705727
Energy: -2.963622601011509
Energy: -2.0201965073891097
Energy: -2.3800033981976556
Energy: -2.2189452630792927
Energy: -2.150105934827152
Energy: -2.7181081879826023
Energy: -3.422092770196794
Energy: -2.7473715948266224
Energy: -2.1013733050832375
Energy: -3.240745660127102
Energy: -2.449142857405785
Energy: -2.241733333209574
Energy: -3.336567342702898
Energy: -2.3512256237335394
Energy: -2.619945618376889
Energy: -2.025643310819743
Energy: -2.110058978022443
Energy: -1.941068145924609
Energy: -3.109772237213025
Energy: -2.1579037650173887
Energy: -2.2588460658224343
Energy: -2.3450250550727185
Energy: -2.017451637214091
Energy: -2.231632733081839
Energy: -3.340227718331032
Energy: -2.149354839786364
Energy: -2.0072972438517547
Energy: -2.257062358950258
Energy: -2.082150705768282
Energy: -2.0314393350584568
Energy: -2.925780125666874
Energy: -2.189287172663819
Energy: -2.3070529347320203
Energy: -2.0007889527798013
Energy: -2.196922151482725
Energy: -2.21091024353059
Energy: -2.9412449486342767
Energy: -2.3907089823508154
Energy: -2.3441736014097883
Energy: -1.8007325177301636
Energy: -2.4327804962257358
Energy: -2.2733290788092444
Energy: -3.3817717398401927
Energy: -2.2839214748761694
Energy: -2.117252072135286
Energy: -2.0214075930563107
Energy: -2.151320520786062
Energy: -2.0477281702511125
Energy: -3.5408129772765635
Energy: -2.219072872962594
Energy: -2.293554536680854
Energy: -2.152051236041399
Energy: -2.1120176716581094
Energy: -2.095146029396793
Energy: -3.1549716861271793
Energy: -2.2276618812441344
Energy: -2.120590494854504
Energy: -2.2583545518521726
Energy: -2.1871417340797703
Energy: -2.180703858374018
Energy: -2.5975829924710654
Energy: -2.415189501933734
Energy: -2.2282872398750775
Energy: -1.9702657624807947
Energy: -2.325052912672951
Energy: -1.948880662245313

minimum gb energy = -3.571686000983547 eV
minimum distance =  2.29352631855526 Angstroms
sigma value = 17


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

Energy: -3.7486456266521144
Energy: -2.839673413224901
Energy: -2.7985985878166426
Energy: -3.396247973066277
Energy: -2.829148868123742
Energy: -2.7985808051840633
Energy: -3.524323810263281
Energy: -3.153201531760549
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Energy: -2.9973495357162747
Energy: -2.8244932626695847
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Energy: -3.620586070455266
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Energy: -3.0816403411534425
Energy: -2.7411736874982746
Energy: -3.0334040466423033
Energy: -4.439659614623593
Energy: -3.221790066613859
Energy: -2.9811795995661923
Energy: -3.428279175656835
Energy: -3.1360519679232866
Energy: -2.830905407357193
Energy: -4.6054609150549535
Energy: -3.0806653551724823
Energy: -2.9688455458935783
Energy: -3.4653931632745723
Energy: -2.921898226097863
Energy: -2.9181688896361746
Energy: -4.593985308349509
Energy: -3.1358861004859144
Energy: -2.886903668541744
Energy: -2.924411725379199
Energy: -3.172476400897675
Energy: -2.8310948249524914
Energy: -4.785054805885929
Energy: -3.2026124673314986
Energy: -3.171459074693328
Energy: -3.450331060989286
Energy: -2.6650460895603616
Energy: -3.0164064219862183
Energy: -4.341539066185644
Energy: -3.072725082023079
Energy: -2.9602388989461534
Energy: -2.9304383400888185
Energy: -3.1597681481176947
Energy: -3.011707235135562
Energy: -4.139163795182078
Energy: -3.295441373776397
Energy: -2.927838435821226
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Energy: -2.858112848053942
Energy: -3.2072363735578997
Energy: -2.5767052839211835
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Energy: -3.737858273693392
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Energy: -2.566794040231305
Energy: -3.2574034336178013
Energy: -3.126414983556983

minimum gb energy = -4.989896734220444 eV
minimum distance =  2.33767910258832 Angstroms
sigma value = 57


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

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Energy: -4.2377482204030175
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Energy: -3.8736711309691008
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Energy: -4.672781063946233
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Energy: -4.964745615457946
Energy: -4.113314416332318
Energy: -4.090388061878858
Energy: -4.191054052617484
Energy: -4.283677667518871
Energy: -4.0441661812016285
Energy: -4.281782681870949
Energy: -3.820085946597296
Energy: -3.7470863039730395
Energy: -3.916320551444459
Energy: -4.0242285722093545
Energy: -4.074153389358621
Energy: -4.024628105540365
Energy: -4.226487158842329
Energy: -4.140232292736415
Energy: -4.252679587365535
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Energy: -4.416571021854061
Energy: -4.298230582434833
Energy: -3.604560710093377
Energy: -4.445554863385559
Energy: -3.768132701236285

minimum gb energy = -5.709268915641444 eV
minimum distance =  2.31337535785615 Angstroms
sigma value = 43


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

Energy: -3.488997373387635
Energy: -2.4153133503775144
Energy: -2.9224281025312533
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Energy: -2.7574582848425804
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Energy: -3.3623015073385147
Energy: -2.9760414393462296
Energy: -3.1952239089195245
Energy: -2.8249345538081876
Energy: -2.229463390566831
Energy: -3.3397855882595926
Energy: -2.5700580704699445
Energy: -2.3146043817935995
Energy: -2.909083101774852
Energy: -2.8513966007061877
Energy: -2.6392803472407733
Energy: -3.06915643304117
Energy: -2.563872787137082
Energy: -2.345357815453832
Energy: -2.409618520641224

minimum gb energy = -4.614727675875351 eV
minimum distance =  2.31451964873321 Angstroms
sigma value = 81


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

Energy: 0.00894884032699544
Energy: 0.5034780900870707
Energy: -0.07372306944871758
Energy: 0.01015987989373465
Energy: -0.06138921873199349
Energy: -0.07363493947442376
Energy: -1.6278329648395549
Energy: 0.010773872184756363
Energy: 0.010036495883901661
Energy: -0.11169015024990835
Energy: 0.010715461640896736
Energy: -0.1734395677871777
Energy: -0.04155153592716846
Energy: -0.0704008991461925
Energy: -0.07626779169569817
Energy: -0.10631838410428858
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Energy: -0.07620950190559596
Energy: 0.01047122329068598
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Energy: -0.06922453147393874
Energy: 0.010595496117594893
Energy: -0.07009479918825193
Energy: -0.07648951132989558
Energy: -0.1321063000487741
Energy: -0.10619359321208466
Energy: -0.10492252028755293
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Energy: -0.06365506757814557
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Energy: -0.07086451520105666
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Energy: -0.15922593151718978
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Energy: -0.06583002184657673
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Energy: -0.027895349221297435
Energy: -0.07603830987183896
Energy: -0.1059763889007057
Energy: -0.02773366639895113
Energy: -0.07630201413947918
Energy: 0.01003039490374829
Energy: -0.06997668834994485
Energy: -0.06946124001703641
Energy: 0.010244098009517226
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Energy: -0.0693296332586269
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Energy: -0.10630919013476266
Energy: -0.10930549164686973
Energy: -0.06917637418048472
Energy: -0.10434294493845793
Energy: -0.0649108713572911

minimum gb energy = -1.6278329648395549 eV
minimum distance =  2.43800731615249 Angstroms
sigma value = 3


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

Energy: -1.493281473994009
Energy: -2.2631674153169463
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Energy: -1.7595439218311282
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Energy: -3.9699322481391772
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Energy: -4.254271730815817
Energy: -3.985991734307711
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Energy: -3.9387076833328565
Energy: -4.205287367090162
Energy: -3.6108109463788476
Energy: -3.443829186716145
Energy: -3.9734671383820173
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Energy: -2.5245584863355353
Energy: -3.559398358169397
Energy: -2.484423286262217
Energy: -2.5288040449379983
Energy: -3.5370197776608414

minimum gb energy = -5.2579596121912875 eV
minimum distance =  2.31694473876507 Angstroms
sigma value = 67


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

Energy: -2.224824155353964
Energy: -3.5841659666353
Energy: -2.95928585084368
Energy: -1.5771377558240407
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Energy: -5.028700917366499
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Energy: -4.210112996715715
Energy: -5.716906469013354
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Energy: -3.894572907061718
Energy: -5.148764935759724
Energy: -4.136421413906937
Energy: -4.682920025317456
Energy: -4.744363293207951

minimum gb energy = -6.887192981235958 eV
minimum distance =  2.31822348827257 Angstroms
sigma value = 33


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

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Energy: -2.817501046006342
Energy: -4.1144514787700475
Energy: -3.3071757334999385
Energy: -2.3948739206521594
Energy: -2.9463545378098597
Energy: -4.457019185405105
Energy: -2.9820011936078847
Energy: -2.514747998207611
Energy: -2.857221025734926
Energy: -3.2229162973861003
Energy: -3.1012097681542317
Energy: -2.959302190136932
Energy: -2.9077401147013653
Energy: -3.342947591495778
Energy: -2.6289132981707164
Energy: -4.2309691639997435
Energy: -3.0223004921743315
Energy: -3.567259988183747
Energy: -2.766837871683403
Energy: -3.0245734356314604
Energy: -2.7400836099591603
Energy: -2.652168522043496
Energy: -4.00923150063545
Energy: -1.4545047835950802
Energy: -2.1616141657447656
Energy: -2.7379367875299647
Energy: -4.343362919952494
Energy: -2.345374089340039
Energy: -4.129103066271165

minimum gb energy = -5.881171992807628 eV
minimum distance =  2.25892953001956 Angstroms
sigma value = 41


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

Energy: -0.28158700913106627
Energy: -1.854648065008847
Energy: -1.4687180567721931
Energy: -2.635330610622737
Energy: -1.9190864772419274
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Energy: -2.8247025654300186
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Energy: -2.518067376659804
Energy: -2.087594117973328
Energy: -2.4254000654735934
Energy: -1.638109881282827
Energy: -2.5823174869648495
Energy: -2.4703470912683008
Energy: -2.3534035904359145
Energy: -2.1040021138283773
Energy: -2.808830713928253
Energy: -2.8807712068158793
Energy: -2.6521644434722647
Energy: -1.9957611660347616
Energy: -2.5936484805491675
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Energy: -2.495772386819847
Energy: -2.7290869890665808
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Energy: -2.828809316717866
Energy: -2.133300385927635
Energy: -2.30824646478937
Energy: -3.4871365536030274
Energy: -1.8207343520792483
Energy: -1.8138723587556875
Energy: -2.844539907273273
Energy: -1.6885648633873103
Energy: -2.15588261440853
Energy: -1.2119011064788276
Energy: -2.9980253566848774
Energy: -2.241106799690387
Energy: -1.5943238429239996
Energy: -2.290521631183269
Energy: -2.452750012166186
Energy: -2.0241554958791546
Energy: -2.416272949185765
Energy: -2.6664263042723864
Energy: -2.3937695151604292
Energy: -2.899073160087675
Energy: -2.6752046724530505
Energy: -2.2877411793251925
Energy: -2.742078316259484
Energy: -2.805164367009469
Energy: -2.8076238177659754
Energy: -2.8883227111416567
Energy: -2.965271127408803
Energy: -2.5411089770776885
Energy: -1.9582493513556987
Energy: -2.464485710334506
Energy: -2.702895729531693
Energy: -1.7094191056101675
Energy: -2.7081356453338885
Energy: -3.251160146438814
Energy: -2.7411332760315914
Energy: -2.432146732977468
Energy: -2.635884170598091
Energy: -2.468595535557464
Energy: -2.6042691592421754
Energy: -2.630222259705941
Energy: -3.1036598458153213
Energy: -1.3975636637842894
Energy: -2.1442566914773193
Energy: -3.188162612232091
Energy: -1.9395929883028817
Energy: -2.3943482898162207
Energy: -2.5976685892414086
Energy: -2.5604609112088252
Energy: -2.173096690703979
Energy: -2.0591617575471775
Energy: -2.608579652646385
Energy: -3.740154888718352
Energy: -2.0768178280500535
Energy: -1.5143592404811614
Energy: -2.9203575158535164
Energy: -1.88314177543573
Energy: -1.629213701966219

minimum gb energy = -3.740154888718352 eV
minimum distance =  2.34602013111913 Angstroms
sigma value = 11


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

Energy: -1.7995126163101478
Energy: -2.359774967258877
Energy: -1.1567896744529795
Energy: -0.7105443512396112
Energy: -2.1927186804259815
Energy: -1.6049222787638258
Energy: -1.3382400819548022
Energy: -2.189975440602329
Energy: -2.9180096746040207
Energy: -2.4236936941078078
Energy: -1.7703918919237678
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Energy: -2.0159138330441553
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Energy: -3.096129037174018
Energy: -2.1335866675294275
Energy: -2.4556436840422635
Energy: -2.2855156855520935
Energy: -1.7884669066564105
Energy: -2.0277753963905503
Energy: -2.513306574031024
Energy: -1.6429395674884337
Energy: -2.446338689272367
Energy: -2.6117803968042375
Energy: -2.130002906019846
Energy: -2.1015951126062355
Energy: -3.187132574238947
Energy: -2.3299575654142344
Energy: -2.398795802459824
Energy: -2.063099570069681
Energy: -1.7788168033782785
Energy: -2.7163819651050964
Energy: -2.709524926113764
Energy: -2.9284145000132065
Energy: -2.3963158169232988
Energy: -3.3127088918466736
Energy: -3.4310584124541537
Energy: -2.881100661747615
Energy: -1.544330981057919
Energy: -3.0176683309141037
Energy: -4.007900476269257
Energy: -2.5739893368678404
Energy: -1.8840984887252792
Energy: -1.6878070081498369
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Energy: -2.0281663200605524
Energy: -2.1173428775712226
Energy: -2.197218732850228
Energy: -2.272623134219458
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Energy: -1.8690640922994886
Energy: -1.8825917799320846
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Energy: -1.7377248465353556
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Energy: -2.2939994269582917
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Energy: -2.538066354366801
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Energy: -1.6044902495046387
Energy: -2.3505841556760614
Energy: -2.715040131922894
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Energy: -2.0714594846263013
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Energy: -1.8915129808181055
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Energy: -1.9661723019551298
Energy: -1.915139626218436
Energy: -2.1170311080744866
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Energy: -2.113332380630738
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Energy: -2.6232044188194106
Energy: -2.3958037529600262
Energy: -2.222435695342904
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Energy: -2.6526457285433636
Energy: -1.7294223522035659
Energy: -2.116180731579119
Energy: -1.7569746287258377
Energy: -2.3723681221256787
Energy: -2.2283906363565498
Energy: -3.2158577560226815
Energy: -1.6172835135130101
Energy: -1.6713227958963133
Energy: -1.8581621139782618
Energy: -2.028275266058064
Energy: -1.9348470145934729
Energy: -2.8098828864431873
Energy: -1.628379590675339
Energy: -1.7338331487688008
Energy: -1.6549564509269146
Energy: -1.7320098033007831
Energy: -1.8375853965937154
Energy: -1.7043263250025913
Energy: -1.585050996093105
Energy: -1.7055139781833042
Energy: -2.630577504524644
Energy: -1.786648735801314
Energy: -1.7736420782337823
Energy: -1.35435245055308
Energy: -2.0908793850798837
Energy: -2.583595874432735
Energy: -1.841099313616477
Energy: -1.6986514863285973
Energy: -1.971892912567358
Energy: -3.257730336775216
Energy: -1.8248964830020449
Energy: -2.062900332031759
Energy: -2.8642250162489216
Energy: -3.493307982466274
Energy: -1.7371358401744053
Energy: -1.7585030154190773
Energy: -1.6795464726818248
Energy: -2.131094369614139
Energy: -2.0260735038204096

minimum gb energy = -4.007900476269257 eV
minimum distance =  2.25618557666226 Angstroms
sigma value = 57


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

Energy: -0.3128340705808303
Energy: -1.1926129817682112
Energy: -1.2508301697706028
Energy: -1.0126264577531767
Energy: -1.5828300635481236
Energy: -0.8027541205461913
Energy: -1.9892663505178032
Energy: -1.4944831765805253
Energy: -1.40713699378603
Energy: -1.6846416630815535
Energy: -1.5007088210714667
Energy: -1.0876107763471319
Energy: -1.7342637257658273
Energy: -1.3066664329003372
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Energy: -1.45751692443415
Energy: -1.227189112207185
Energy: -1.390732645800848
Energy: -1.7641211550670053
Energy: -1.9970803539209976
Energy: -1.8116939334902507
Energy: -1.7506353814363982
Energy: -1.2314137217492527
Energy: -2.0666105824243917
Energy: -1.9470444630899493
Energy: -1.5670237368776336
Energy: -1.6266569912538509
Energy: -1.7835500756072986
Energy: -1.584897698686677
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Energy: -1.9461788144195014
Energy: -1.6679044814291824
Energy: -1.701722435606455
Energy: -1.6931128745511468
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Energy: -3.5278889461332845
Energy: -2.722972950304948
Energy: -1.436161700479786
Energy: -1.497480354780257
Energy: -1.3051584094579367
Energy: -1.4312360066900678
Energy: -1.7459398308374965
Energy: -1.3070523278019073
Energy: -1.7688541396286446
Energy: -1.7572488527162087
Energy: -1.4814675334893648
Energy: -1.6745121996221224
Energy: -1.7954681770743983
Energy: -1.9862710361203866
Energy: -1.295113942672971
Energy: -1.1960340606778808
Energy: -1.4419750548532841
Energy: -1.4482216172935203
Energy: -1.5420047354011959
Energy: -1.895075090370434
Energy: -1.3426135131076107
Energy: -1.5424380858561588
Energy: -1.4875946732419876
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Energy: -1.474057534494032
Energy: -2.081603943499869
Energy: -1.9619572655039055
Energy: -1.813020010060718
Energy: -1.83288843778843
Energy: -1.663678180541722
Energy: -1.8519510131744694
Energy: -1.5292049439078064
Energy: -1.2174176091138775
Energy: -0.9634854331158916
Energy: -1.6642546279607857
Energy: -1.3150964294448708
Energy: -2.9247046314147256
Energy: -1.98821084183017
Energy: -1.479306118013272
Energy: -1.6265147695782134
Energy: -1.7154132633413883
Energy: -1.479079061679209
Energy: -2.01527819456802
Energy: -1.8370540380236553
Energy: -1.4955543967131353
Energy: -1.6245930262194062
Energy: -3.120067389141392
Energy: -3.3556739524863044
Energy: -1.523412969433768
Energy: -2.012561368768386
Energy: -1.6030678909766352
Energy: -1.7381162330424378
Energy: -1.751507059981565
Energy: -1.5693259388384324
Energy: -1.7668201755371962
Energy: 0.7312616807753405
Energy: -1.531058648492114
Energy: -1.030708628998564
Energy: -0.8557987786453715
Energy: -1.5505371062609907
Energy: -1.5026203495257024
Energy: -1.7180939407242717
Energy: -1.5849709402763674
Energy: -1.5919191864014859
Energy: -1.426269802329163
Energy: -1.4155899458529266
Energy: -1.415186671218755

minimum gb energy = -4.356573771022996 eV
minimum distance =  2.27419129898175 Angstroms
sigma value = 9


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

Energy: -3.2217097734456916
Energy: -2.3034872419460872
Energy: -2.1718537009299306
Energy: -2.4004135281994063
Energy: -2.3095243970800556
Energy: -2.016782302264313
Energy: -2.5011212767025777
Energy: -2.3389320465683516
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Energy: -2.3745047034571294
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Energy: -2.8689129672536327
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Energy: -2.5785084107897562
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Energy: -2.3409402336095524
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Energy: -3.198075521012489
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Energy: -2.8648739895843174
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Energy: -3.6565227546091976
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Energy: -2.303222534205776
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Energy: -2.635639093383569
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Energy: -2.667938678399764
Energy: -2.517059677026769
Energy: -2.0058708449701332
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Energy: -2.565873224467629
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Energy: -2.444071061718771
Energy: -2.9886186654419014
Energy: -2.4213423554250473
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Energy: -3.160353137928537
Energy: -2.379966491126383
Energy: -3.0904375539593563
Energy: -2.220580379010278
Energy: -4.296915949262661
Energy: -2.5655363176755195
Energy: -2.2980670885681507
Energy: -2.2927061728636224
Energy: -2.5980226977555296
Energy: -2.5134847577756187
Energy: -3.2910846008110175
Energy: -2.4474617555893436
Energy: -2.453502544805182
Energy: -2.607276685755079
Energy: -2.7373680988313844
Energy: -2.639811910304893
Energy: -2.5654172880433745
Energy: -2.55256673808149
Energy: -2.6534150464641026
Energy: -2.6586622607974704

minimum gb energy = -5.048302776507275 eV
minimum distance =  2.29944763762773 Angstroms
sigma value = 27


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

Energy: -1.6179839214236436
Energy: -2.735348525737742
Energy: -2.8348238808888695
Energy: -2.741300098571289
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Energy: -4.1368052517828495
Energy: -3.5999034542270922
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Energy: -3.100176897913101
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Energy: -2.820447858829187
Energy: -3.363045338636392
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Energy: -2.5733992828934396
Energy: -2.228734777391877
Energy: -3.435758486365498
Energy: -3.2083537880869395

minimum gb energy = -4.413919453436319 eV
minimum distance =  2.21757150536025 Angstroms
sigma value = 19


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

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Energy: -1.738435552354788
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Energy: -1.7754816475416537
Energy: -1.6467013249523377
Energy: -1.5180885982465606
Energy: -1.5773755717589955
Energy: -1.7054828588656035
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Energy: -1.4681718051709176
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Energy: -1.9110713537900152
Energy: -1.179110596937272
Energy: -1.6854585586867923
Energy: -1.1085201972595595

minimum gb energy = -3.3837538337311375 eV
minimum distance =  2.28970262551098 Angstroms
sigma value = 101


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

Energy: -1.9487107355748015
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Energy: -3.0924214542935733
Energy: -1.654034785030105
Energy: -1.7443942514316184
Energy: -1.7182339695522524
Energy: -1.780204893641017
Energy: -1.7128432132735907
Energy: -1.5533313639295492
Energy: -1.5457079322587421
Energy: -1.5672690619866438
Energy: -1.631458329239936
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Energy: -1.9006110020291798
Energy: -3.405537001671337
Energy: -4.299117300127608
Energy: -1.4215226610351512
Energy: -1.4556429772066015
Energy: -1.8340452058720775

minimum gb energy = -4.299117300127608 eV
minimum distance =  2.31770735051131 Angstroms
sigma value = 33


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

Energy: 0.01705158276492923
Energy: -0.8063537060768908
Energy: -1.8285211179790068
Energy: 0.018190585222353964
Energy: -3.217867668986632
Energy: -1.8733298399720493
Energy: 0.017694899978269445
Energy: -2.7515990858859336
Energy: -2.9960822554437128
Energy: -1.4709552832180404
Energy: -2.439236249241451
Energy: -2.2011689141531665
Energy: 1.246908273746378
Energy: -3.0624834338567615
Energy: -3.2217974802380662
Energy: -1.5976719936820638
Energy: -2.4500847945340336
Energy: -3.2316342341571644
Energy: 0.01769489997745145
Energy: -2.7519315129388877
Energy: -4.013277833676537
Energy: -1.4710135076245285
Energy: -3.860773009753443
Energy: -2.13739489952381

minimum gb energy = -4.013277833676537 eV
minimum distance =  2.4134600720823 Angstroms
sigma value = 1