Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_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=3.658403038978577
cohesive_energy=3.8927084030558796
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=[9.72868889167578e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.665966584232479e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.014658395619265296
Energy: 0.015240395591452497
Energy: 0.015144546573320249
Energy: 0.016086565474763254
Energy: 0.5685023125169676
Energy: 0.015138954383699018
Energy: 0.015240395590261673
Energy: -5.431873733904468
Energy: -5.498466355472192
Energy: -5.458991526900501
Energy: -5.496507646742037
Energy: 0.04087348717827676
Energy: 0.01514454657243564
Energy: -5.494979590707014
Energy: 0.03947229942423894
Energy: 0.015141322024400007
Energy: -5.486690854039726
Energy: 0.04221714790394776
Energy: 0.01608656547384462
Energy: -5.441531512721864
Energy: 0.01514132202501243
Energy: 0.016564569409854717
Energy: -5.426916994625083
Energy: 0.01523351213468087
Energy: 0.5685023157988018
Energy: -5.455273379520205
Energy: -5.4731771362225405
Energy: -5.426735361871395
Energy: -5.394302445845465
Energy: -5.368373787978463
Energy: 0.01513895438431144
Energy: 0.0408813068519394
Energy: 0.04221568686585105
Energy: 0.015233512133796263
Energy: -5.3683725856772355
Energy: 0.015201323689133739

minimum gb energy = -5.498466355472192 eV
minimum distance =  2.57601631214522 Angstroms
sigma value = 1


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

Energy: 0.7815145541531587
Energy: -3.1981940671093083
Energy: -2.8972391569466334
Energy: -2.6409443235686756
Energy: -2.8148005015187034
Energy: -2.823446602542757
Energy: -4.874081324857004
Energy: -3.6002555133906666
Energy: -3.037890510040636
Energy: -3.727512935930296
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Energy: -2.8897833535523905
Energy: -2.8785687216573863
Energy: -2.6969883269641683
Energy: -2.7045308211155943
Energy: -3.10827743277897
Energy: -2.8842700013640274
Energy: -3.127933184252011
Energy: -3.269785763911283
Energy: -3.0760690461533855
Energy: -2.600306033462806
Energy: -3.046041138237508
Energy: -2.7180319891179403
Energy: -2.5951071187748913
Energy: -2.8311164656751235
Energy: -2.562432969311123
Energy: -2.6637358804659557
Energy: -2.8766039748504966
Energy: -2.4785329134129497
Energy: -4.221201656997699
Energy: -3.0298977617296665
Energy: -2.5700822704844337
Energy: -2.829985664783141
Energy: -2.4971222749107898
Energy: -2.952235549841219
Energy: -2.8898746623356097
Energy: -3.2995877214039933
Energy: -3.3937913859557147
Energy: -3.347332340011969
Energy: -3.4623369267349835
Energy: -3.862067929896481
Energy: -3.0690808686385926
Energy: -3.237867140150121

minimum gb energy = -5.736144571199616 eV
minimum distance =  2.26332968197415 Angstroms
sigma value = 33


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

Energy: 0.8749083276529651
Energy: -1.766463450666744
Energy: -1.8029826612173712
Energy: -4.58181397570867
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Energy: -1.8053824587556844
Energy: -1.7642802164577345
Energy: -1.9510340696685573

minimum gb energy = -6.076890048106678 eV
minimum distance =  2.34640566693971 Angstroms
sigma value = 51


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

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Energy: -1.8169730172323983
Energy: -1.5427924481983515
Energy: -1.9821893582217605
Energy: -1.7763236732712275
Energy: -1.8125239356428715
Energy: -1.8967930587165487
Energy: -1.6002633883809523
Energy: -1.6273318967594652
Energy: 0.756221879374502
Energy: -1.7269082306003343
Energy: -1.383893242723304
Energy: -1.619948848874654
Energy: -1.7347942614838587
Energy: -1.8284316247082875

minimum gb energy = -2.9408814872151035 eV
minimum distance =  2.27428589744843 Angstroms
sigma value = 19


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

Energy: 0.746675551255354
Energy: 0.5017294078543416
Energy: -0.027444007260079385
Energy: -0.7712089392525717
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Energy: -0.22583058247454033
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Energy: -1.5655842323094882
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Energy: -0.011356941465622798
Energy: -1.3365191700217058
Energy: -1.7264197321956307
Energy: -0.04126875520671252

minimum gb energy = -1.98298484484703 eV
minimum distance =  2.30574930860979 Angstroms
sigma value = 27


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

Energy: 0.7039565663346636
Energy: -2.467456352158796
Energy: -1.6422567455783006
Energy: -1.3631824914764439
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Energy: -1.907739589395618
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Energy: -1.9074835939594263
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Energy: -1.9683666393132173
Energy: -2.180388435736497
Energy: 0.41732767125661036
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Energy: -1.8553838148910529
Energy: -2.1629720187563866
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Energy: -0.8808736168709715
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Energy: -1.8786485035383842
Energy: -1.8614595547586772
Energy: -1.455957938489809
Energy: -1.8954496128425031
Energy: -1.649584939964036

minimum gb energy = -2.467456352158796 eV
minimum distance =  2.33786205443413 Angstroms
sigma value = 9


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

Energy: -2.7480830824516915
Energy: -2.828253953760261
Energy: -2.809042427623486
Energy: -2.2677525166821213
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Energy: -3.0038702584043824
Energy: -3.8105432298948956
Energy: -2.8077637788133876
Energy: -3.157443992370094

minimum gb energy = -6.28739711890465 eV
minimum distance =  2.30474641532475 Angstroms
sigma value = 57


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

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Energy: -2.6674592909508665
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Energy: -2.7969018057017223
Energy: 0.39192652726698973
Energy: -2.2449612904143326
Energy: -2.7966875676935814
Energy: -2.479327396876644
Energy: -2.22918698642042
Energy: -2.804319790532277
Energy: -0.22880220987028985
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Energy: -2.499949730212391
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Energy: -2.348478846885588
Energy: -2.6470379251061664
Energy: -2.0851838870744808
Energy: -2.5444242164938675
Energy: -2.434559189633081
Energy: -2.009943473304586
Energy: -2.0845489423552417
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Energy: -1.918785025647612
Energy: -2.133313080342426
Energy: -2.109437734754565
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Energy: -1.8362009355753963
Energy: -2.1565819830998056
Energy: -2.2861226737197704
Energy: -2.5499999846915316
Energy: -2.6290978812887786
Energy: -2.237893554598906
Energy: -1.879306220603049
Energy: -2.2291676790640746
Energy: -2.7430692920170108
Energy: -2.848022159266875
Energy: -2.6833127442616
Energy: -2.5415131092255585
Energy: -2.7341455275877307
Energy: -2.1947939187412233
Energy: -2.370727231070116
Energy: -2.545366468721426
Energy: -2.5035303840594376
Energy: -2.395021815165599
Energy: -2.1858992120446707
Energy: -1.98932113079347
Energy: -2.394002364255533
Energy: -1.9467852648504536
Energy: -1.977891993211264
Energy: -2.1676824682084668
Energy: -2.11158920161298
Energy: -2.5891028019263786
Energy: -2.38266878542394
Energy: -2.2802231134304343
Energy: -2.8222044298723086
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Energy: -2.6036613639724075
Energy: -2.6467567480602567
Energy: -2.5752040283509876
Energy: -2.2487689443885857

minimum gb energy = -3.294211755104445 eV
minimum distance =  2.31898996121538 Angstroms
sigma value = 11


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

Energy: -4.003246341950863
Energy: -3.578885267391516
Energy: -3.891863001265672
Energy: -4.306036066108562
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Energy: -3.6000626074028825
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Energy: -3.227501555571872
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Energy: -3.332928811271381
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Energy: -3.4795879175611772
Energy: -3.757920890570662
Energy: -3.78318039509359
Energy: -3.8365732656305354
Energy: -4.11120675992713
Energy: -3.535152835864039
Energy: -4.028006636379282
Energy: -3.773486513541996
Energy: -3.942675532217256
Energy: -3.9422394950661355
Energy: -4.232502882814434
Energy: -3.6029238285024814
Energy: -4.032848126813213
Energy: -4.0305634663737155
Energy: -4.135597456076849
Energy: -3.5934451278657065
Energy: -4.009714330411479
Energy: -2.9905150931584834
Energy: -3.8800236167945403
Energy: -3.5234826882612094
Energy: -3.813383619824303
Energy: -3.6369201156108275
Energy: -3.2555775919386614

minimum gb energy = -4.58324263462715 eV
minimum distance =  2.27146956761899 Angstroms
sigma value = 41


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

Energy: -2.214991783256326
Energy: -2.278728026393616
Energy: -1.9183604832403762
Energy: -2.172508123297296
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Energy: -1.6875545606580793
Energy: -1.792193087201042
Energy: -2.5370828304271327
Energy: -1.7138012925111454
Energy: -1.0369059105064578

minimum gb energy = -3.0637555263466667 eV
minimum distance =  2.26304582382145 Angstroms
sigma value = 33


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

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minimum gb energy = -4.649824833003905 eV
minimum distance =  2.3242755231739 Angstroms
sigma value = 67


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

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minimum gb energy = -2.087315604605509 eV
minimum distance =  2.37609374852413 Angstroms
sigma value = 3


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

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minimum gb energy = -7.107316275128682 eV
minimum distance =  2.32131414885135 Angstroms
sigma value = 81


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

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Energy: -2.219427795476804
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Energy: -2.411285289298275
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Energy: -2.478258251464492
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Energy: -1.9775077410959938
Energy: -1.8867370758565085
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Energy: -1.9923915992585004
Energy: -1.7146897130219454
Energy: -2.7233873971218965
Energy: -2.2496942446535013
Energy: -2.5152158543757794
Energy: -2.1274370397128273
Energy: -2.1057902290219
Energy: -2.1828088150140634
Energy: -2.5712605368144636
Energy: -2.274038600579508
Energy: -2.3340846636951578
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Energy: -2.300052098893403
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Energy: -2.795199508839567
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Energy: -2.3903576831751794
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Energy: -2.5282004481701685
Energy: -3.4675029105166817
Energy: -2.891822637693115
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Energy: -2.291697360308622
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Energy: -2.3713001792225796
Energy: -2.2424552555992436
Energy: -2.8086280920968676
Energy: -2.4213525371574263
Energy: -2.3728928269787324
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Energy: -2.270703636868512
Energy: -2.246388094140839
Energy: -2.7590979951750496
Energy: -2.467563676373486
Energy: -2.6219119251496754
Energy: -2.935127637943644
Energy: -2.1198590759843827
Energy: -2.267457593619678
Energy: -2.8751284238900703
Energy: -1.979976564347562
Energy: -1.7724335398086686
Energy: -2.3933701637565745
Energy: -1.716435557896911
Energy: -2.765382563671916
Energy: -2.795573522810188
Energy: -1.9172255736918984
Energy: -2.0601660639530603
Energy: -2.600571661429541
Energy: -1.8968055360760652
Energy: -2.069923777667554
Energy: -2.49083192558773
Energy: -2.312845757138325
Energy: -1.9416233771030413
Energy: -2.182741763088765
Energy: -2.289616936195875
Energy: -1.7145935078704058

minimum gb energy = -3.4675029105166817 eV
minimum distance =  2.40102578202624 Angstroms
sigma value = 43


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

Energy: -1.5251018924666973
Energy: -1.460437284792
Energy: -1.3708285294791998
Energy: -1.5192894789993499
Energy: -1.1914771287464738
Energy: -3.392645700539388
Energy: -2.055247636696253
Energy: -2.066806279767965
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Energy: -2.1683743577942245
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Energy: -2.195312426649551
Energy: -2.9200827434023093
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Energy: -3.266611567812366
Energy: -2.314581254041389
Energy: -2.5768153390509516
Energy: -2.7769085597964183
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Energy: -2.9093098774450126
Energy: -2.267157677242679
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Energy: -2.754798966013468
Energy: -3.011273506454572
Energy: -2.2968700429077327
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Energy: -1.5758051727188365
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Energy: -1.993089465511372
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Energy: -2.694133951138166
Energy: -1.7789153809035152
Energy: -2.06185057821002
Energy: -2.023727234806462
Energy: -2.0526216473872094
Energy: -3.6328451823964665
Energy: -2.163817300871507
Energy: -2.033974689323338
Energy: -1.9993823951051617
Energy: -2.3162233710170095
Energy: -1.7364067815936854
Energy: -2.262312337411837
Energy: -1.952263862522768
Energy: -1.6120303358477992
Energy: -1.88643389764945
Energy: -1.5335381186945038
Energy: -3.3963909191819233
Energy: -1.9631303140170473
Energy: -3.4841849169867274
Energy: -2.640605462909698
Energy: -1.9863152410310372
Energy: -2.5617335997589907
Energy: -2.2588567845989704
Energy: -2.1449168544482298
Energy: -2.9667889730710866
Energy: -1.8205917802910003
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Energy: -1.753291431367282
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Energy: -1.7025804497500323
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Energy: -1.7442683842341644
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Energy: -2.836923204851375
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Energy: -2.126022154215613
Energy: -3.141560845115219
Energy: -2.307828478601005
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Energy: -2.192381936629252
Energy: -2.099603568348456
Energy: -1.5624972570455795
Energy: -1.7581319231946557
Energy: -2.0338989547676376
Energy: -1.4612330589456204
Energy: -1.7278969941786504
Energy: -1.5882303358841574
Energy: -3.458684544813893
Energy: -1.4877337940943562
Energy: -1.7280401968553694
Energy: -3.37982579920798
Energy: -2.124876614170151
Energy: -2.0672799039833074
Energy: -2.2890242685340882
Energy: -2.314534955080499
Energy: -1.9069879247364276
Energy: -2.3598618330624213
Energy: -2.0985026890131686
Energy: -3.5762874601704397
Energy: -3.1180512373626783
Energy: -2.490797402337183
Energy: -3.256988570802342
Energy: -3.670516387887782
Energy: -1.880681870083758
Energy: -1.6742544264620516
Energy: -1.7925968585435827
Energy: -1.8989588006729372
Energy: -2.0266590937278504
Energy: -1.783398065823377
Energy: -2.2606393773317635
Energy: -2.934392436603624
Energy: -1.7283809377339576
Energy: -2.789720256442371
Energy: -3.005413713926394
Energy: -1.7946667828473846
Energy: -2.2580234773160575
Energy: -2.1863304308826232
Energy: -3.3567682082704136
Energy: -2.6105726221144407
Energy: -1.7761706723409205
Energy: -1.715703940617709
Energy: -2.0786105816376206
Energy: -2.4712327692126985
Energy: -2.3385758274779187
Energy: -2.970818570670368
Energy: -2.8293379430319097
Energy: -1.8479995754257807
Energy: -2.0006690137261796
Energy: -1.6667923479935522
Energy: -3.4322825737371714
Energy: -1.7226851472019447
Energy: -3.166623572370464
Energy: -3.1405801878060573
Energy: -2.188897393173741
Energy: -2.4932117544316466
Energy: -1.5626352019047163
Energy: -1.7725183006377518
Energy: -1.596726094800178
Energy: -1.626039858518767
Energy: -1.6705976281232306
Energy: -1.3544358160538101
Energy: -1.528404126502727
Energy: -2.8486196852229075
Energy: -1.559359385754525
Energy: -3.0807646123955883

minimum gb energy = -3.8535907077946265 eV
minimum distance =  2.27304835277137 Angstroms
sigma value = 57


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

Energy: -2.4052329627695848
Energy: -2.1954888321091732
Energy: -2.1729287353170186
Energy: -2.854911930033715
Energy: -1.9856194908682494
Energy: -2.1504955226046043
Energy: -3.020996737802819
Energy: -2.548686662894984
Energy: -2.416005454147934
Energy: -2.341412355978138
Energy: -2.0676920146368682
Energy: -2.4275469078423715
Energy: -2.6266933782006854
Energy: -2.098682599315794
Energy: -2.1796940187255154
Energy: -2.2897222644466777
Energy: -1.8692193186611936
Energy: -2.111472575807214
Energy: -3.2373775618730267
Energy: -1.7555250023785711
Energy: -1.9574000664648865
Energy: -2.2084085400574196
Energy: -2.062543456252343
Energy: -2.142593943977036
Energy: -3.2365069117414618
Energy: -2.1984479682222764
Energy: -2.1424718054762066
Energy: -2.309300344661767
Energy: -1.995998321896988
Energy: -1.9940642543838478
Energy: -3.031305069351718
Energy: -1.8792153807591798
Energy: -1.9580529637852926
Energy: -2.9262774921570394
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Energy: -3.118403076136546
Energy: -2.5985463289098756
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Energy: -2.1876949114001825
Energy: -2.511314798478652
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Energy: -2.7225663549371446
Energy: -2.3679005007098954
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Energy: -2.075822072350075
Energy: -2.174352096346664
Energy: -2.2861487127100104
Energy: -2.373018144241264
Energy: -2.2039296731295863
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Energy: -2.075069968467822
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Energy: -2.2378238796501737
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Energy: -2.333039901191794
Energy: -2.344400561252482
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Energy: -1.8689951654959525
Energy: -1.9359472781879352
Energy: -2.1710046780240173
Energy: -2.008979795726503
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Energy: -2.8118858444233314
Energy: -2.3026323320974487
Energy: -2.223415778924279
Energy: -2.2786347610835542
Energy: -2.7527799550445793
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Energy: -3.315078846153437
Energy: -2.0361724412117215
Energy: -2.5333364923495614
Energy: -2.1019999946121524
Energy: -2.260452818815669
Energy: -2.3621214359454386
Energy: -3.363119969878991
Energy: -2.1620844312572496
Energy: -1.9239427508137814
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Energy: -2.263523539516842
Energy: -3.2951707030221282
Energy: -2.3767507430352866
Energy: -2.3455200194823926
Energy: -2.1166074625910474
Energy: -2.21934834906037
Energy: -2.8922727062013296
Energy: -3.2745899022112
Energy: -2.31539694681216
Energy: -2.2367351691476287
Energy: -2.6791328559434446
Energy: -2.286089119957426
Energy: -2.3479876029236753
Energy: -3.218073016426058
Energy: -2.4114900864213973
Energy: -2.3860793132947875
Energy: -2.5194327323898986
Energy: -2.3131076920447025
Energy: -2.3927384435661536
Energy: -3.163788490395797
Energy: -2.250506183237236
Energy: -2.080593377091613
Energy: -2.0366952325691696
Energy: -2.47808101796283
Energy: -2.164202649661488
Energy: -2.6613920934270845
Energy: -1.5747963474105724
Energy: -2.1115129774179495
Energy: -2.0880962327609236
Energy: -2.3356753907730337
Energy: -2.353830548437429
Energy: -2.760498219320289
Energy: -2.0950306461804464
Energy: -2.268088142246903
Energy: -2.368642557259321
Energy: -2.3774345042484506
Energy: -2.2801521770287967
Energy: -2.786536327387442
Energy: -2.311619889950843
Energy: -2.2622437106080913
Energy: -2.063150539294478
Energy: -2.301858958182249
Energy: -2.346516839123047

minimum gb energy = -3.363119969878991 eV
minimum distance =  2.35228310050152 Angstroms
sigma value = 17


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

Energy: -3.0433025074511972
Energy: -2.315883870639921
Energy: -2.2565059382002373
Energy: -2.044143271521671
Energy: -2.25152618133157
Energy: -1.9005840152849363
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Energy: -2.1942965213852217
Energy: -2.977525172069947
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Energy: -1.980485140260312
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Energy: -2.4064769311053262
Energy: -1.903188350645076
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Energy: -3.521699459721841
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Energy: -2.324702051765977
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Energy: -3.339223123800414
Energy: -2.1727132937527576
Energy: -2.273026810514522
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Energy: -2.347978357484149
Energy: -2.3977712597463676
Energy: -3.340368047370104
Energy: -1.8674964966199838
Energy: -2.219602332680607
Energy: -2.2414088129736496
Energy: -2.0756801703385146
Energy: -2.103262253768078
Energy: -3.4391315487607654
Energy: -2.6486651173967575
Energy: -2.0639940454216155
Energy: -2.986714250287266
Energy: -2.598794015153554
Energy: -2.3449220915307527
Energy: -3.6820732690754006
Energy: -1.9695796695927452
Energy: -2.596786395173399
Energy: -1.8239797884299804
Energy: -2.2041318394329767
Energy: -2.44260493988811
Energy: -3.507612550968593
Energy: -2.327072871981525
Energy: -2.1769709167637767
Energy: -2.2736764543754875
Energy: -2.4406678152547254
Energy: -2.096254483150533
Energy: -3.438528560593605
Energy: -2.178673226821821
Energy: -2.0496002821909483
Energy: -2.2407501870180315
Energy: -2.0313617769191965
Energy: -2.1101692428447123
Energy: -2.9422999575192716
Energy: -2.2014965560252664
Energy: -2.345514288545626
Energy: -2.302522200828347
Energy: -2.2927473782888432
Energy: -2.268427163492363
Energy: -2.931641599752856
Energy: -2.384526900729121
Energy: -2.307460078455861
Energy: -1.9382054738105703
Energy: -2.277778584867224
Energy: -2.196308686057518
Energy: -3.3811687502168364
Energy: -2.3260855746621703
Energy: -2.0857241225675027
Energy: -2.1818638294924217
Energy: -2.352635543382127
Energy: -2.134491726775857
Energy: -3.549628426842235
Energy: -2.1597410509369297
Energy: -2.3233474428201664
Energy: -2.125591302400752
Energy: -2.2710766034601675
Energy: -1.702452099414576
Energy: -3.2181852741803296
Energy: -2.1711293152671858
Energy: -2.161448852158359
Energy: -2.2750351565305804
Energy: -2.210232527149911
Energy: -2.09150797347991
Energy: -2.6637538865069716
Energy: -2.326015510371324
Energy: -2.3148987249241455
Energy: -2.0893513831814294
Energy: -2.33182042778657
Energy: -1.9210946985247417

minimum gb energy = -3.6861588900099806 eV
minimum distance =  2.31640107750181 Angstroms
sigma value = 17


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

Energy: -4.491469561124735
Energy: -3.205069005229771
Energy: -2.6246120878305144
Energy: -2.6926928475086385
Energy: -3.061632060003599
Energy: -2.786432313465423
Energy: -4.583286591182367
Energy: -3.0263537424875233
Energy: -3.15378226704322
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Energy: -3.0360131826023444
Energy: -3.077004578094821
Energy: -3.466505247786408
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Energy: -3.2619550753245594
Energy: -3.1083772556179743
Energy: -2.680810423202943
Energy: -2.8084953973672357
Energy: -4.630253429547491
Energy: -3.2149183863405972
Energy: -3.2404278692233683
Energy: -3.2727813514197233
Energy: -2.9727697750616775
Energy: -3.022903330608124
Energy: -4.541254316337876
Energy: -3.1575849186583063
Energy: -2.94635844166994
Energy: -3.1441976540043264
Energy: -3.091305279889159
Energy: -2.882618956649631
Energy: -4.512443142591071
Energy: -2.8576657847286873
Energy: -2.9583671363553288
Energy: -2.938255561516015
Energy: -3.0437794204366075
Energy: -3.2304838260698103
Energy: -4.791274005237468
Energy: -3.2302763861872874
Energy: -3.2811103652574984
Energy: -3.3917524230187945
Energy: -2.713784309335961
Energy: -3.004973117821001
Energy: -3.753178627225943
Energy: -2.972160638361874
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Energy: -3.2055189310323913
Energy: -2.6100135221353185
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Energy: -2.9720108535517187
Energy: -2.741336978297282
Energy: -2.8375605005554356
Energy: -3.195291765016684

minimum gb energy = -5.067465426739032 eV
minimum distance =  2.30369354296084 Angstroms
sigma value = 57


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

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Energy: -4.561681337150708
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Energy: -3.9526182645415635
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Energy: -4.566462956292724
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Energy: -4.770190943845218
Energy: -4.315848439594445
Energy: -4.072458963742737
Energy: -4.153010598913166
Energy: -4.319069545136798
Energy: -3.9278141119566032
Energy: -4.4318136005055
Energy: -3.259261832346027
Energy: -3.7812206023056727
Energy: -4.253237378732589
Energy: -3.6581311950592292
Energy: -4.261601192864647
Energy: -4.330978511413296
Energy: -4.2730258067326865
Energy: -4.53889772400754
Energy: -4.06052982445754
Energy: -4.121264972714668
Energy: -3.9231687267618245
Energy: -5.211175980274425
Energy: -4.298350980574623
Energy: -3.7185262802613215
Energy: -4.282462981818077
Energy: -4.408866298829966
Energy: -3.7393400984897296

minimum gb energy = -6.14645539231433 eV
minimum distance =  2.31175735133773 Angstroms
sigma value = 43


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

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Energy: -2.3334464914163973
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Energy: -2.2005449501534713
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Energy: -3.252923476922927
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Energy: -3.367325753501087
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Energy: -3.1454597503501813
Energy: -2.796933851498366
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Energy: -2.7520581287797805
Energy: -2.430671413767726
Energy: -2.470617059895046
Energy: -2.9104339973432864
Energy: -2.512343623522885
Energy: -2.17502557442739
Energy: -2.770946204529957
Energy: -2.978435968611904
Energy: -3.1292470082497936
Energy: -3.078178858809269
Energy: -3.0260104797111587
Energy: -3.0356879615065004
Energy: -2.743710320758108
Energy: -3.008488756646812
Energy: -3.210464842558172
Energy: -2.218083473108193
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Energy: -2.768201144647538
Energy: -2.7939344231411503
Energy: -2.566465707180984
Energy: -2.5643756508903506
Energy: -2.5759082404253335
Energy: -2.6152482941340773

minimum gb energy = -4.524428524467013 eV
minimum distance =  2.28267225362726 Angstroms
sigma value = 81


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

Energy: 0.004112460089182496
Energy: -0.07244937153040112
Energy: -0.07306133285692144
Energy: 0.005718237294562963
Energy: -0.062389614235437145
Energy: -0.0727678546300413
Energy: -0.10580557485372794
Energy: 0.007512961470961603
Energy: 0.0050461506054689294
Energy: -0.10640976049454769
Energy: 0.006123048637613984
Energy: -0.07198865475113718
Energy: -0.0322765122651793
Energy: -0.06755946834456504
Energy: -0.07556727589114161
Energy: -0.10271657276700256
Energy: -0.06849242008879142
Energy: -0.07570754954995129
Energy: 0.005668599410795894
Energy: -0.06820038423651556
Energy: -0.06773675409425382
Energy: 0.006270586970921988
Energy: -0.06835353635728048
Energy: -0.07529192377056115
Energy: -0.10654186188383567
Energy: -0.10565971995909453
Energy: -0.09936166463315987
Energy: -0.06677919983795229
Energy: -0.02569743700975425
Energy: -0.1550637285348493
Energy: 0.004747827670796612
Energy: -0.1059245083730838
Energy: -0.07210404862652213
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Energy: -0.072801448361427
Energy: -0.09903069747543407
Energy: 0.005078890516680423
Energy: 0.005127687661436243
Energy: -0.10605469930858337
Energy: 0.006293084599986241
Energy: -0.07262688251703932
Energy: -0.03212392126051928
Energy: -0.02876755067387303
Energy: -0.0754398271981785
Energy: -0.10653604976667418
Energy: -0.02835893803632687
Energy: -0.07594961310105232
Energy: 0.006232358331062954
Energy: -0.06819021508587358
Energy: -0.06808479203555116
Energy: 0.005589155218876443
Energy: -0.0672283968139582
Energy: -0.11247618153788692
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Energy: -0.103062933685687
Energy: -0.10586020697445353
Energy: -0.06787573966220488
Energy: -0.10619165462307764
Energy: -0.06166740447465373

minimum gb energy = -0.1550637285348493 eV
minimum distance =  2.43905933522297 Angstroms
sigma value = 3


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

Energy: -1.3921375620606986
Energy: -2.67655767704762
Energy: -2.544177141814103
Energy: -1.4897408339013722
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Energy: -2.5626749123697445
Energy: -3.434357926416705
Energy: -2.405668627795705
Energy: -3.1156688355055735
Energy: -2.807159712378227

minimum gb energy = -4.695475637545589 eV
minimum distance =  2.32548447448814 Angstroms
sigma value = 67


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

Energy: -2.073655140809231
Energy: -3.5708881616194135
Energy: -6.962675172116446
Energy: -2.994863820565227
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Energy: -6.4445660207799955
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Energy: -5.237558398796086
Energy: -4.58575590493967
Energy: -5.405988206236104
Energy: -5.721349290710527

minimum gb energy = -7.100789734943409 eV
minimum distance =  2.28711235819596 Angstroms
sigma value = 33


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

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Energy: -3.3273914301141576
Energy: -3.3970153285237332
Energy: -2.961891511197941
Energy: -3.218728646661407
Energy: -3.2119783181860795
Energy: -3.0089436142996586
Energy: -3.101774836463767
Energy: -3.739245269008294
Energy: -2.653109970013427
Energy: -3.120455567618616
Energy: -3.1486800871727243
Energy: -3.941967421503713
Energy: -2.9139098489508477
Energy: -4.452639893868313
Energy: -2.933285647047407
Energy: -2.3719947657729747
Energy: -2.7830283349288645
Energy: -3.2025010571359647
Energy: -3.2599921206922167
Energy: -2.3613143011884614
Energy: -3.3062376147713604
Energy: -3.3248963115588888
Energy: -2.5199452851615156
Energy: -4.516025085579155
Energy: -3.020925844412354
Energy: -2.760228084933639
Energy: -2.892099815008751
Energy: -3.2286840828484475
Energy: -3.351020847444695
Energy: -3.2258031102799425
Energy: -3.0089649489145884
Energy: -4.6054816949794795
Energy: -2.260901140598825
Energy: -2.7175501102027395
Energy: -3.681429689734908
Energy: -2.3111618657520228
Energy: -4.316150025237602

minimum gb energy = -5.82342390484105 eV
minimum distance =  2.27434706287421 Angstroms
sigma value = 41


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

Energy: -0.19149324956373148
Energy: -1.4719293144260952
Energy: -1.480593527565314
Energy: -2.488152931063917
Energy: -1.8786910695623706
Energy: -1.456672516344916
Energy: -3.476021212582603
Energy: -2.4095927373834582
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Energy: -2.442810838855043
Energy: -2.168286431665471
Energy: -2.7950346800389485
Energy: -2.0857695031687755
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Energy: -2.3852138826156954
Energy: -2.2645558585871384
Energy: -2.4176123602313178
Energy: -2.948107322625356
Energy: -3.0199839572186993
Energy: -2.363960034954959
Energy: -2.584639892576701
Energy: -2.6641047712322456
Energy: -2.621782381778017
Energy: -2.5461559687625708
Energy: -2.9569082541788236
Energy: -2.198321591368921
Energy: -2.391941716454993
Energy: -2.6874630236561847
Energy: -2.0751508257443985
Energy: -2.582326540807524
Energy: -2.777090260766217
Energy: -1.7429322652919108
Energy: -2.218672791798806
Energy: -2.5292836638987444
Energy: -2.0909361033043585
Energy: -2.118499243009032
Energy: -2.1809736605156265
Energy: -2.8517071376814984
Energy: -2.322228804179787
Energy: -1.6896431077984762
Energy: -2.539810368890841
Energy: -2.2524462083942978
Energy: -2.120387369602013
Energy: -2.5530278114942733
Energy: -2.623226219574674
Energy: -2.295176045917546
Energy: -2.7275289436604133
Energy: -2.798276999795111
Energy: -2.5350691481715915
Energy: -2.745292730207788
Energy: -2.7848891022129476
Energy: -2.885565873842172
Energy: -2.797454253713926
Energy: -2.767513962878378
Energy: -2.8851574103104207
Energy: -1.9623562125626597
Energy: -2.4807284155019986
Energy: -2.8244937026730867
Energy: -1.417010827637116
Energy: -2.655744697299847
Energy: -2.8992539052904243
Energy: -2.2723744901200544
Energy: -2.557745728660023
Energy: -2.8693647163048785
Energy: -2.5672897910764227
Energy: -2.6913978610482268
Energy: -2.0999880329218352
Energy: -2.131293135212948
Energy: -1.801739005955719
Energy: -1.8677297570007638
Energy: -2.4410866641724596
Energy: -1.8762189700049785
Energy: -2.8423260408703834
Energy: -2.87858614399236
Energy: -3.0369121077409726
Energy: -2.0027614977747725
Energy: -2.4199870940794193
Energy: -2.885221330588822
Energy: -3.8411115132848086
Energy: -2.147516711510046
Energy: -2.1386855708922248
Energy: -2.6142376037679984
Energy: -2.135127961531146
Energy: -1.6933637093190608

minimum gb energy = -3.8411115132848086 eV
minimum distance =  2.32861048159488 Angstroms
sigma value = 11


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

Energy: -2.1144468660594113
Energy: -2.0311349374241963
Energy: -1.0013551827356546
Energy: -1.0638140159230585
Energy: -2.083683717799003
Energy: -1.201573961143997
Energy: -1.7322083577074239
Energy: -2.303629341072754
Energy: -3.428128225250864
Energy: -1.4811532743820588
Energy: -2.0617887058910425
Energy: -2.4444044835585768
Energy: -2.1592599681819347
Energy: -1.601500483066674
Energy: -1.8513617397674582
Energy: -2.010524019195155
Energy: -1.995553464575915
Energy: -1.372539009198946
Energy: -3.429239770829198
Energy: -2.2735693190006
Energy: -1.7281893659519802
Energy: -2.863919635068072
Energy: -2.294046748491914
Energy: -3.632320628434722
Energy: -2.268843069179305
Energy: -1.6453920697954312
Energy: -2.5724305307327406
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Energy: -2.9118694761558954
Energy: -2.2506131457658114
Energy: -2.8658809094112043
Energy: -1.8931400903843507
Energy: -1.9005968676906035
Energy: -2.7478795908563014
Energy: -2.9121598916077307
Energy: -2.4062660281162813
Energy: -1.764207041534556
Energy: -2.277871453746254
Energy: -2.0637505593427075
Energy: -1.9857630437140257
Energy: -2.3170993299082197
Energy: -2.12519858998411
Energy: -2.2737986920445756
Energy: -2.926879706613202
Energy: -3.2046323358262865
Energy: -2.676247096040709
Energy: -2.1247264536966592
Energy: -2.0086597520618965
Energy: -1.8001149539096795
Energy: -3.131730937980004
Energy: -2.8855419176465102
Energy: -1.4715647376134149
Energy: -1.825160481400773
Energy: -2.7437260573871503
Energy: -2.025022476671277
Energy: -1.7673752135452032
Energy: -2.100450651792882
Energy: -1.4153838023265577
Energy: -1.995977453874538
Energy: -2.3857078654552635
Energy: -1.9890564734976586
Energy: -2.2238184089885693
Energy: -2.043001411013846
Energy: -2.132678188924531
Energy: -2.5194732890681144
Energy: -2.1461971853620847
Energy: -2.628797382805544
Energy: -1.718077817550642
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Energy: -2.0959448099434663
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Energy: -2.5019356063374323
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Energy: -1.9855530067766318
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Energy: -1.7715142454376567
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Energy: -1.9497528542686664
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Energy: -1.8321066927185135
Energy: -2.112237677656835
Energy: -2.4210289897007944
Energy: -2.609467718575946
Energy: -2.649266730917973
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Energy: -1.852735766718705
Energy: -2.3499853509881286
Energy: -2.4163740576809296
Energy: -2.4400974613928077
Energy: -1.6991589323260547
Energy: -1.3523969068242645
Energy: -1.9945257060463546
Energy: -1.7213188048340353
Energy: -1.587003994704465
Energy: -1.9347882747053307
Energy: -2.516599789444334
Energy: -2.8690497280866203
Energy: -1.9313730511522187
Energy: -2.7140134047080124
Energy: -1.9402381113071374
Energy: -2.7709543868400073
Energy: -2.434232726230242
Energy: -1.7973213210113177
Energy: -1.8630939624763427
Energy: -2.4527958626219593
Energy: -2.0541792249097677
Energy: -2.0459181291132924
Energy: -2.4478981088503575
Energy: -1.6982348804760776
Energy: -3.232092179494098
Energy: -1.7561324739685815
Energy: -2.4544081865054275
Energy: -1.6727637865506135
Energy: -2.333732967872977
Energy: -2.2563698737757876
Energy: -2.254782560181738
Energy: -1.535590484724445
Energy: -2.5674780828332566
Energy: -3.1251245983120506
Energy: -2.04582599345677
Energy: -3.0814243627721303
Energy: -2.46264167130871
Energy: -2.1797898341640933
Energy: -2.055636524756139
Energy: -3.7513056258720705
Energy: -1.4760204945006563
Energy: -1.8264587673052388
Energy: -2.2599821590399434
Energy: -2.879991993428098
Energy: -1.2548131765107686
Energy: -1.7333576251951273
Energy: -2.9883566433150968
Energy: -2.6693531177172036
Energy: -1.8643066605778507
Energy: -2.839235742345133
Energy: -2.287676517671943
Energy: -2.3082223012409084
Energy: -1.6068773595497132
Energy: -1.7571107383133542
Energy: -2.2004433453333307
Energy: -2.617048948293161
Energy: -2.4347779838646293

minimum gb energy = -3.7513056258720705 eV
minimum distance =  2.28122930466353 Angstroms
sigma value = 57


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

Energy: -0.15003978025549677
Energy: -1.3756367022311065
Energy: -1.463988931328924
Energy: -0.9270925427286861
Energy: -1.5621384871665642
Energy: -2.036643054832707
Energy: -1.9602468231359906
Energy: -1.5358292735664372
Energy: -1.9762879567426088
Energy: -1.7226625309544814
Energy: -1.449052618011413
Energy: -2.3651048081666755
Energy: -1.838612921358893
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Energy: -3.6011576523595448
Energy: -1.3973845194559027
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Energy: -1.7412302849115346
Energy: -2.0261836790787906
Energy: -1.967402882152694
Energy: -1.8520755845278025
Energy: -1.7175026698844589
Energy: -1.2250553350817945
Energy: -1.8585282366879026
Energy: -2.0891952401318887
Energy: -1.4841520329816367
Energy: -1.5987473360286064
Energy: -1.781606039587169
Energy: -1.4611707653498225
Energy: -1.3933221419577584
Energy: -2.2463425758259374
Energy: -2.2330049793326805
Energy: -3.465685639200859
Energy: -1.7421639072693351
Energy: -1.7018565585488656
Energy: -3.899653807182207
Energy: -1.497969804643696
Energy: -1.4073122730833616
Energy: -1.457875603316871
Energy: -1.7030692733493762
Energy: -1.4084549454135789
Energy: -1.5082970510124374
Energy: 0.7280904419711998
Energy: -1.7336944584297271
Energy: -1.7114292389332428
Energy: -1.493456821703734
Energy: -1.7375295116331613
Energy: -1.6843610367223207
Energy: -1.9548668786090313
Energy: -1.3267208850768788
Energy: -1.1964540947516007
Energy: -1.4672072987976892
Energy: -1.1620865750549974
Energy: -1.4333005960233556
Energy: -1.8006537543088745
Energy: -2.3022729724839337
Energy: -1.542565935886066
Energy: -1.496219179282175
Energy: -3.6189999730235485
Energy: -1.4303154225257195
Energy: -2.0433565152338096
Energy: -2.047588206891117
Energy: -1.7978269287023456
Energy: -1.8657123354043406
Energy: -1.7223154877146654
Energy: -1.967349027882095
Energy: -1.5213891689322825
Energy: -1.171629752580725
Energy: -0.9905201911817332
Energy: -1.5621877381303586
Energy: -1.2096874550274768
Energy: -3.73569164206141
Energy: -1.9841673461242617
Energy: -1.562097789547232
Energy: -1.8362464476026392
Energy: -1.735238783097839
Energy: -1.6542767605384368
Energy: -1.7056895099956506
Energy: -1.9987967761034138
Energy: -2.318044841899674
Energy: -1.8534182582522791
Energy: -1.741253861744165
Energy: -2.38244606363525
Energy: -1.8666229655961237
Energy: -2.0191008028064745
Energy: -1.5022649478899646
Energy: -1.71628463961807
Energy: -1.7407617530777535
Energy: -1.5092205920695099
Energy: -2.0302921978569874
Energy: 0.7630607550648668
Energy: -1.52596665301223
Energy: -1.1168002719394439
Energy: -1.3462591973161808
Energy: -1.5515417692662457
Energy: -2.484746350265344
Energy: -1.9364099392636287
Energy: -1.5473596957749454
Energy: -1.5466733800187629
Energy: -1.4249871302421429
Energy: -1.3699528592844352
Energy: -1.3995647761354357

minimum gb energy = -3.899653807182207 eV
minimum distance =  2.27872999625316 Angstroms
sigma value = 9


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

Energy: -2.287228792416621
Energy: -2.6101126942867126
Energy: -2.870912546975308
Energy: -1.7344373026452493
Energy: -1.9628316280484368
Energy: -2.3968830320930694
Energy: -2.152464010160025
Energy: -2.156398807428757
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Energy: -2.2377739746922147
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Energy: -3.1505396447757046
Energy: -2.4669466504703905
Energy: -3.290434189018159
Energy: -2.4349038833670864
Energy: -2.4114796231631344
Energy: -2.5761618558484125
Energy: -3.032458569667566
Energy: -2.6767697049232
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Energy: -2.33273915780416
Energy: -2.622822012737691
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Energy: -2.5482616728989305
Energy: -2.2604688721171424
Energy: -2.8033152887294652
Energy: -2.8819673882586367
Energy: -2.677676594118415
Energy: -2.893319498058927
Energy: -4.4761241437334
Energy: -2.413139711101742
Energy: -3.7543711423594344
Energy: -3.2453372500791375
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Energy: -2.220744551854984
Energy: -2.716796073728436
Energy: -2.587494339955027
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Energy: -2.5616274658356395
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Energy: -2.340040712008802
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Energy: -3.905337905511901
Energy: -4.680673892379808
Energy: -2.6123771625588494
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Energy: -3.386396201606961
Energy: -2.559930800444483
Energy: -4.241492852590162
Energy: -2.7630122874889325
Energy: -3.1659301771447717
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Energy: -2.328508308358331
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Energy: -2.7611482152650026
Energy: -2.4008971834659065
Energy: -2.3400753569229105
Energy: -2.8504353126746973
Energy: -2.713091146846571
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Energy: -2.4975857463922724
Energy: -2.6879371393158524
Energy: -2.405075905807378
Energy: -3.117540312170618
Energy: -2.75796445553617
Energy: -4.729876772696873
Energy: -3.2985271029222774
Energy: -2.5304544537628977
Energy: -2.3498123176800605
Energy: -2.68643123625641
Energy: -3.1129664095171097
Energy: -2.434971610336555
Energy: -2.4892209130849765
Energy: -2.5989965644542785
Energy: -2.481729297994074
Energy: -3.464900284994465
Energy: -2.253433309630093
Energy: -4.138167410438362
Energy: -2.963077672729235
Energy: -2.1753034789041323
Energy: -3.6802811373196174
Energy: -2.668886303370164
Energy: -2.367304048109943
Energy: -2.783057653634807
Energy: -2.222352479334006
Energy: -2.7207093576478827
Energy: -2.3812604505935515
Energy: -2.159167878186346
Energy: -2.6788758655653284
Energy: -2.514671401616805
Energy: -2.7426279276320855
Energy: -2.8476797263620743
Energy: -2.395551801618182

minimum gb energy = -4.729876772696873 eV
minimum distance =  2.3053626101815 Angstroms
sigma value = 27


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

Energy: 0.907663735753107
Energy: -5.637097188714096
Energy: -5.196498136991634
Energy: -5.3061714780596905
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Energy: -4.748205970982421
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Energy: -3.1116331606749306
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Energy: -3.2898991337131003
Energy: 0.8176276316190509
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Energy: -5.325515067846046
Energy: -4.301599040802302
Energy: -2.7483460391414956
Energy: -4.64633750007977
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Energy: -2.5908985852970816
Energy: -2.207875419459568
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Energy: -3.3325200089174443
Energy: -5.12810545692179
Energy: -5.188822066133748
Energy: 0.8465680028127228
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Energy: -5.653191151963627
Energy: -1.948843322802532
Energy: -4.640101060060309
Energy: -4.875573269916031
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Energy: -5.52400050358411
Energy: -4.527641199978267
Energy: -5.137121606043947
Energy: -5.672169952416061

minimum gb energy = -5.741233162285764 eV
minimum distance =  2.22354508165038 Angstroms
sigma value = 19


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

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Energy: -1.449798967997703
Energy: -1.7555450964450543
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Energy: -1.744996457444805
Energy: -1.2034318408796005
Energy: -1.6118094826270233
Energy: -1.1086814561109195

minimum gb energy = -3.394829841112906 eV
minimum distance =  2.27883501252843 Angstroms
sigma value = 101


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

Energy: -2.309153638911173
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Energy: -1.5212319272243282
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Energy: -1.8091992729814017
Energy: -1.5534101709253663
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Energy: -1.6927030521006636
Energy: -1.5811254934774046
Energy: -1.7507277182975194
Energy: -2.2817531094733123
Energy: -1.6383291330711043
Energy: -1.580154975246701
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Energy: -1.5965701611870744
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Energy: -2.1643488079614803
Energy: -1.5528402883446564
Energy: -1.4451911913561897
Energy: -1.542800736980279
Energy: -3.0798466525929573
Energy: -1.7870938091470299

minimum gb energy = -3.2490651924477367 eV
minimum distance =  2.30268458168009 Angstroms
sigma value = 33


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

Energy: 0.016584081544858426
Energy: -3.371667189432931
Energy: -3.8291667253117
Energy: 0.01797134902016457
Energy: -4.0509553099816324
Energy: -1.8194899828902795
Energy: 0.017280476972415963
Energy: -4.3829645621203275
Energy: -3.2656901957807314
Energy: -1.4283222292483342
Energy: -4.1550611566587765
Energy: -1.761848428813533
Energy: 1.2599372179409958
Energy: -3.2753867716542615
Energy: -3.030802704799588
Energy: -2.7314086027884867
Energy: -3.6323111918354005
Energy: -3.3780567837980007
Energy: 0.27513808303729775
Energy: -2.566800601553137
Energy: -3.32112562488803
Energy: -1.4263030818368068
Energy: -4.050881503071901
Energy: -1.761851611213741

minimum gb energy = -4.3829645621203275 eV
minimum distance =  2.40859032197571 Angstroms
sigma value = 1