Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082758843899
cohesive_energy=3.360264281693947
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28593319442548e-19, 5.236137544640759e-19, 5.16991958435754e-19, 9.2148388016193e-20, 8.384046129824938e-20, 7.2641887497243e-20, 5.7724020858069e-20, 3.7986486468496195e-20, 1.2065143077037979e-20, -2.18294964205866e-20, -6.538098320961839e-20, -1.19894081875488e-19, -1.8879729019729198e-19, -2.7643955643036e-19, -3.8764823877293396e-19, -5.27726541883554e-19, -7.028220175068779e-19, -9.24422272108686e-19, -1.210021472355624e-18, -1.5696172004438519e-18, -1.999516439232e-18, -2.48407874041896e-18, -3.0525310101621597e-18, -3.7580655127103996e-18, -4.7533376377511996e-18, -6.454993418956259e-18]
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: 0.011786441510539192
Energy: 0.06802649448725664
Energy: 0.06794552735608801
Energy: 0.06795095623784854
Energy: 0.012530651683259569
Energy: 0.012642584127135849
Energy: 0.06828098459506753
Energy: 0.06786500014789974
Energy: 0.8198819225802496
Energy: 0.012452513166690233
Energy: 0.06813459851531371
Energy: 0.06822080229372372
Energy: 0.06867184006124613
Energy: 0.7345658772010333
Energy: 0.06923155200420704
Energy: 0.06818988898788883
Energy: 0.06822377321381277
Energy: 0.06820960501820017
Energy: 0.7053242572814923
Energy: 0.0689728939174761
Energy: 0.8803721702519455
Energy: 0.012352733494019552
Energy: 0.01207577807731363
Energy: 0.06805982733417687
Energy: 0.06772879560669272
Energy: 0.06878905485390475
Energy: 0.012231228639454734
Energy: 0.012056882043105866
Energy: 0.06795453860167586
Energy: 0.06787573306082896
Energy: 0.7480942198253675
Energy: 0.012335843168999407
Energy: 0.01217983801652455
Energy: 0.06771700520286816
Energy: 0.7939196171891287
Energy: 0.8268610923638042
Energy: 0.0123102742673009
Energy: 0.012143400785924331
Energy: 0.06753803861663782
Energy: 0.06772046791110799
Energy: 0.7687146569408231
Energy: 0.7909264167955573
Energy: 0.0678794392381222
Energy: 0.012120375074998102
Energy: 0.01218454817842573
Energy: 0.774492005985091
Energy: 0.6523855751618735
Energy: 0.06893305689001382
Energy: 0.012221450790155389
Energy: 0.06777805652932649
Energy: 0.8460479522016039
Energy: 0.06751712880378778
Energy: 0.06853179552608739
Energy: 0.01216843580175496
Energy: 0.012444456066070088
Energy: 0.9362244763291563
Energy: 0.06765793270588288
Energy: 0.06877552145804132
Energy: 0.012276909535003079
Energy: 0.01241232479592483
Energy: 0.012461782355990885
Energy: 0.06792272658852189
Energy: 0.7851150940722884
Energy: 0.06866503902501538
Energy: 0.06821144338188445
Energy: 0.01240178338697927
Energy: 0.06801136551851357
Energy: 0.8442105408206665
Energy: 0.06886695810563251
Energy: 0.06839973592956425

minimum gb energy = 0.011786441510539192 eV
minimum distance =  2.81641160660297 Angstroms
sigma value = 3


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

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Energy: 0.5291486005615097
Energy: 0.5296435060792447
Energy: 0.5256585679712863
Energy: 0.5256910961214806
Energy: 0.5959157824826861
Energy: 0.5259390868218379
Energy: 0.5400029030212674
Energy: 0.5255374359890592
Energy: 0.5314664393265283
Energy: 0.49777382387744673
Energy: 0.6730541149574749
Energy: 0.5291263742067026
Energy: 0.5221615512519491
Energy: 0.4778413104327866
Energy: 0.5454922892286791
Energy: 0.6616158044985718
Energy: 0.5338456058900419
Energy: 0.5291608518472893
Energy: 0.5174525405802832
Energy: 0.5226497922828873
Energy: 0.6396308969977544
Energy: 0.5450635598859018
Energy: 0.49636681223669515
Energy: 0.5051941866134397
Energy: 0.49168089644771024
Energy: 0.6401545241666962
Energy: 0.5985291297481915
Energy: 0.5024120765776493
Energy: 0.510737990641274
Energy: 0.5154900612908628
Energy: 0.5332291651066643
Energy: 0.639805327477958
Energy: 0.4656943893004594
Energy: 0.5068029889587482
Energy: 0.517485617142024
Energy: 0.5409402974803393
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Energy: 0.5445045063717879
Energy: 0.5119919770153637
Energy: 0.6056454794471761
Energy: 0.5831198898711571
Energy: 0.5808647429776889
Energy: 0.6244239163595505
Energy: 0.5393685804474702
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Energy: 0.5752357750550888
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Energy: 0.5486252142473426
Energy: 0.6081996649183489
Energy: 0.5329057296378912
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Energy: 0.5909808374051405
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Energy: 0.5098438507574552
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Energy: 0.5401008403476459
Energy: 0.554342476202868
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Energy: 0.5510362140609225
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Energy: 0.6363532610263806
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Energy: 0.5498221233510486
Energy: 0.5338036223004675
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Energy: 0.6111623283442625
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Energy: 0.5383650649421682
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Energy: 0.531067837595925
Energy: 0.5600171381920609
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Energy: 0.5526481318570942
Energy: 0.547114187652421
Energy: 0.5938188252356502
Energy: 0.6055469690151442
Energy: 0.6097920467094562
Energy: 0.5434384905625348
Energy: 0.5503958481050774
Energy: 0.5430709929117018
Energy: 0.553134942595814
Energy: 0.579044766200766
Energy: 0.5248457212211851
Energy: 0.5572553101166022
Energy: 0.551739419823328
Energy: 0.6122771034155166
Energy: 0.5083672306167887
Energy: 0.6761931416763901
Energy: 0.5538836618108013
Energy: 0.5484017881743375
Energy: 0.42844016213403996
Energy: 0.618890529133274
Energy: 0.6542428531000753
Energy: 0.5476643577572821
Energy: 0.5540819973736013
Energy: 0.4840974442816935
Energy: 0.48848637951309176
Energy: 0.6377238272174538
Energy: 0.5094269453284882
Energy: 0.49833626188099733
Energy: 0.49905998066715174
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Energy: 0.6383869788344299
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Energy: 0.505470058679817
Energy: 0.5096311901719647
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Energy: 0.6395120726968111
Energy: 0.44590951260468314
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Energy: 0.4903953511164448
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Energy: 0.4697713272842935
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Energy: 0.5843103123567526
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Energy: 0.6155029701769186
Energy: 0.5525081505158961
Energy: 0.58084015562852
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Energy: 0.472550219046865
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Energy: 0.5495985139879981
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Energy: 0.6457929391178718
Energy: 0.5648080899490089
Energy: 0.5392361807932511
Energy: 0.5466254038546391
Energy: 0.5394808486652066
Energy: 0.6071642270782193
Energy: 0.5507945615958921
Energy: 0.5379934851826305
Energy: 0.5416466580562785
Energy: 0.5465476363974537
Energy: 0.4561819451093139
Energy: 0.6363430583932008
Energy: 0.5739492886879528
Energy: 0.5418286923991833
Energy: 0.4962674086009754
Energy: 0.45671400333894113
Energy: 0.63544911600816
Energy: 0.5494543411046463
Energy: 0.48955411843945734
Energy: 0.5226255479798882
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Energy: 0.5188729727194021
Energy: 0.6375997452676768
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Energy: 0.5080426979258172
Energy: 0.4740451617900174
Energy: 0.5245372591533022
Energy: 0.6397648249725528
Energy: 0.618475954669311
Energy: 0.4990291560913285
Energy: 0.5033616568018555
Energy: 0.5080281088546463
Energy: 0.6398563007910316
Energy: 0.5437113852181013
Energy: 0.4944126207689605
Energy: 0.5115544781828777
Energy: 0.502279535312546
Energy: 0.6398544668390875
Energy: 0.6273877513835225
Energy: 0.5259870165465169
Energy: 0.5026129350239285
Energy: 0.5644996208565417
Energy: 0.5322647459748772
Energy: 0.6255008891205253
Energy: 0.47807284900113534
Energy: 0.6015089130038667
Energy: 0.6221623567502614
Energy: 0.5280264760729092
Energy: 0.5713850599191703
Energy: 0.5463029968072548
Energy: 0.5684029794219182
Energy: 0.6094378589760857
Energy: 0.5700464856365359
Energy: 0.5386493692979311
Energy: 0.6216742688206275
Energy: 0.5467942214828814
Energy: 0.6077943086567834
Energy: 0.5471594059636439
Energy: 0.5196638823053158
Energy: 0.5512048803744536
Energy: 0.5293036453455898
Energy: 0.571706554030961
Energy: 0.5762979638525224
Energy: 0.46931026148567767
Energy: 0.5557754288952464
Energy: 0.5234544397432935
Energy: 0.554560773439345
Energy: 0.6421310031261968
Energy: 0.6137335201844744
Energy: 0.5303012513047232
Energy: 0.5273746066660325
Energy: 0.5233860219511528
Energy: 0.6016770922698533
Energy: 0.5968016609838879
Energy: 0.5271598270053304
Energy: 0.5247885606563618
Energy: 0.5243909904723011
Energy: 0.5900114769463094

minimum gb energy = 0.4275208016953366 eV
minimum distance =  2.56451979194783 Angstroms
sigma value = 75


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

Energy: 0.8315185040937115
Energy: 0.5526986548496685
Energy: 0.4988647639991399
Energy: 0.5242597362961509
Energy: 0.5097512336437803
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Energy: 0.5491617024150441
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Energy: 0.5599900463344468
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Energy: 0.5410380502174417
Energy: 0.49032739708314876
Energy: 0.5343215805532363
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Energy: 0.5505958302945536
Energy: 0.48881018612787874
Energy: 0.5408447824233739
Energy: 0.5571076154672788
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Energy: 0.5047623830757307
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minimum gb energy = 0.46728341531225676 eV
minimum distance =  2.53747728337724 Angstroms
sigma value = 105


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

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Energy: 0.46699658777858516
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Energy: 0.46873086899745575
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Energy: 0.45500250547452104
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Energy: 0.46659768485666575
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Energy: 0.5152474000911578
Energy: 0.4549193796097642
Energy: 0.46423866692420623
Energy: 0.4867853338977865
Energy: 0.5535106913284097
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Energy: 0.46475665869554095
Energy: 0.5112546886190366
Energy: 0.4710261634569938
Energy: 0.5550111348155732
Energy: 0.4845572819864432
Energy: 0.4649173463812961
Energy: 0.4633215417817789
Energy: 0.48216364268550865
Energy: 0.5476180728198425
Energy: 0.4823190270100282
Energy: 0.525472186057618
Energy: 0.46318583583265527
Energy: 0.48217654696288753
Energy: 0.5483813102506275
Energy: 0.482341477706545
Energy: 0.5363956858252481
Energy: 0.49127643972366125
Energy: 0.5263625779297815
Energy: 0.4702356583143802
Energy: 0.46334536926398007
Energy: 0.4994120565525771
Energy: 0.4816990112979947
Energy: 0.47159900673476085
Energy: 0.464409411547357
Energy: 0.4631924598579381
Energy: 0.5326070457977089
Energy: 0.4991433561123941
Energy: 0.4673240485528321
Energy: 0.46492788450578726
Energy: 0.46370397187638623
Energy: 0.5240726232862788
Energy: 0.4993734860358898
Energy: 0.46755964119715127
Energy: 0.4649409732168479
Energy: 0.4642179142627251
Energy: 0.5094980226982727
Energy: 0.464145687284123
Energy: 0.518293827082637
Energy: 0.4921165404546357
Energy: 0.4581306411640441
Energy: 0.4899141083204455
Energy: 0.47462755266766243
Energy: 0.5090758788398556
Energy: 0.4919349184924301
Energy: 0.45812107065612234
Energy: 0.4894705396340041
Energy: 0.46372004405324824
Energy: 0.4819245178916473
Energy: 0.49695270548382253
Energy: 0.4969308543042721
Energy: 0.4643643435001239
Energy: 0.4718857321002738
Energy: 0.4865314414686436
Energy: 0.49670434212403947
Energy: 0.4745405404531615
Energy: 0.4643261225889801
Energy: 0.5652691801881473
Energy: 0.47454082859424707
Energy: 0.4958332065447208
Energy: 0.4959684952633249
Energy: 0.5118964779571101
Energy: 0.5168037257316405
Energy: 0.47318117833148365
Energy: 0.4957805031496371
Energy: 0.49048991599017405
Energy: 0.45983639324991243

minimum gb energy = 0.45484426993552046 eV
minimum distance =  2.60389938834769 Angstroms
sigma value = 165


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

Energy: 0.6123416814190014
Energy: 0.4652717023300505
Energy: 0.45844476935943884
Energy: 0.4429827930299943
Energy: 0.4106158531481842
Energy: 0.5638718842921224
Energy: 0.45364413374700774
Energy: 0.47565798802405174
Energy: 0.45582725230390875
Energy: 0.42868755823092425
Energy: 0.5069894366074672
Energy: 0.521257483903426
Energy: 0.4541922350439532
Energy: 0.4423083190300243
Energy: 0.44163081938720566
Energy: 0.47257099197664637
Energy: 0.48925989273236453
Energy: 0.4836413911808052
Energy: 0.4661022937464014
Energy: 0.45394232164724624
Energy: 0.467748282276074
Energy: 0.4959078558786699
Energy: 0.5225382896938887
Energy: 0.4566318629591545
Energy: 0.46644448578391945
Energy: 0.47509502983691837
Energy: 0.4714360284438947
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Energy: 0.45839921175449555
Energy: 0.45971932152503675
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Energy: 0.4986886991663512
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Energy: 0.467512668079333
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Energy: 0.45749862614139264
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Energy: 0.4777175685174447
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Energy: 0.4437727996097758
Energy: 0.6062077277346903
Energy: 0.48623450820380115
Energy: 0.48075434738349626
Energy: 0.4649434344213231
Energy: 0.40971331555639806
Energy: 0.4814755513419031
Energy: 0.5198509141492794
Energy: 0.46041392409416065
Energy: 0.4597505999594824
Energy: 0.44530641214315725
Energy: 0.5005176503515952
Energy: 0.5239100478460917
Energy: 0.46132022614254703
Energy: 0.46167671188717707
Energy: 0.4708381849734145
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Energy: 0.465808687814074
Energy: 0.5022697928327541
Energy: 0.4562180209748858
Energy: 0.547183508222561
Energy: 0.4784326426633435
Energy: 0.4556343938363552
Energy: 0.4983003957437475
Energy: 0.4672424100962985
Energy: 0.5462673364463179
Energy: 0.4613845629561446
Energy: 0.47717125883559475
Energy: 0.4934737855454485
Energy: 0.47120757483115766
Energy: 0.4593345087477303
Energy: 0.45794551999636685
Energy: 0.48065806910978665
Energy: 0.49385715852558154
Energy: 0.47297565023333754
Energy: 0.4843168408458192
Energy: 0.4702122798543439
Energy: 0.455325459217019
Energy: 0.47219512814108683
Energy: 0.4693088181521305
Energy: 0.4677685493921834
Energy: 0.4696800186605065
Energy: 0.44675487966677835
Energy: 0.46954810063062713
Energy: 0.47160877298147036
Energy: 0.4811299392469924
Energy: 0.470494026237357
Energy: 0.5601639999236935
Energy: 0.45224187056508164
Energy: 0.4618535531118607
Energy: 0.47440855805797183
Energy: 0.4497764254705002
Energy: 0.559350109855241
Energy: 0.46820342969356593
Energy: 0.4612076028587853
Energy: 0.4715893277895606
Energy: 0.5726866735126767
Energy: 0.4564060337120652
Energy: 0.4855551607382481
Energy: 0.4993270026574069
Energy: 0.4908168842630985
Energy: 0.56960891290709
Energy: 0.44245295445698085
Energy: 0.46280138432308315
Energy: 0.475107475038937
Energy: 0.5088074151348058

minimum gb energy = 0.40971331555639806 eV
minimum distance =  2.56029008919674 Angstroms
sigma value = 41


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

Energy: 0.9186007441559756
Energy: 0.4259560982233842
Energy: 0.4317458326566483
Energy: 0.3924608069987091
Energy: 0.41111738029343603
Energy: 0.37421145210099316
Energy: 0.41523907438741553
Energy: 0.4384055268657079
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Energy: 0.37824225260832073
Energy: 0.40414460740058106
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Energy: 0.36777842131597327
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Energy: 0.4072238595293934
Energy: 0.4151288920142969
Energy: 0.3945389714611303
Energy: 0.4370429060087856
Energy: 0.43751610087547665
Energy: 0.4075458450368714
Energy: 0.409703212720051
Energy: 0.3668729241657271
Energy: 0.43394226371399597
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Energy: 0.41136181421693185
Energy: 0.43555371331542775
Energy: 0.3993374585555175
Energy: 0.41862517645250885
Energy: 0.3965787666474638
Energy: 0.3950352899569334
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Energy: 0.40657858545397757
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Energy: 0.39466755238230333
Energy: 0.39160829002061737
Energy: 0.43505359999156573
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Energy: 0.3917456024450283
Energy: 0.4007220116448372
Energy: 0.40927135970140976
Energy: 0.4233491700110038
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Energy: 0.40357377579039033
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Energy: 0.4208155883476294
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Energy: 0.4230584022579597
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Energy: 0.4060110071538587
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Energy: 0.3984004022681981
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Energy: 0.40281983916955577
Energy: 0.40280001887827216
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Energy: 0.44453982866335434
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Energy: 0.40920804277974965
Energy: 0.41074364987088907
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Energy: 0.39915399338157337
Energy: 0.3881049304747968
Energy: 0.41079444400462867
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Energy: 0.45732805004189214
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Energy: 0.4094444782764033
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Energy: 0.4708823427176587
Energy: 0.3974888551780641
Energy: 0.4097701816808412
Energy: 0.3780604438481807
Energy: 0.41615174171795083
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Energy: 0.40529580244954283
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Energy: 0.43201162404446797
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Energy: 0.38440561587020605
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Energy: 0.43102535879681764
Energy: 0.4494126316484769
Energy: 0.38429268626285423
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Energy: 0.41929890839231543
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Energy: 0.4126968459417828
Energy: 0.4249831132055151
Energy: 0.48854554836725544
Energy: 0.4258134724772263
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Energy: 0.4115169157550023
Energy: 0.40266156169758793
Energy: 0.4007525308308969
Energy: 0.4060803634268256
Energy: 0.38329213190336076
Energy: 0.4087630379480037
Energy: 0.4066225446439678
Energy: 0.40229347881511845
Energy: 0.38289098668080107
Energy: 0.42126130823530494
Energy: 0.40154406493377826
Energy: 0.41011756040168273
Energy: 0.42394613866356406
Energy: 0.3834675670276903
Energy: 0.4211066542712036
Energy: 0.4017899595805643
Energy: 0.40995654954350885
Energy: 0.42753990800496394
Energy: 0.4072333540412346
Energy: 0.43186730336526635
Energy: 0.42090507552907624
Energy: 0.417518233968637
Energy: 0.41334791155762207
Energy: 0.4151764826075927
Energy: 0.4073501213016187
Energy: 0.4148343836893178
Energy: 0.4352454630200607
Energy: 0.41037295866887324
Energy: 0.5193148196139473
Energy: 0.4046332653785448
Energy: 0.44739868107553044
Energy: 0.44862044200329426
Energy: 0.3948419124716178
Energy: 0.4691391232053481
Energy: 0.3782169711187289
Energy: 0.4255581920607834
Energy: 0.43118048616303034
Energy: 0.379593733997119

minimum gb energy = 0.3628584981928732 eV
minimum distance =  2.62766116632072 Angstroms
sigma value = 185


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

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Energy: 0.23247006633443223
Energy: 0.23177760154062338
Energy: 0.2220277630547328
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Energy: 0.21884443010425514
Energy: 0.15816887736571497
Energy: 0.1452933094821581
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Energy: 0.23650835934119843
Energy: 0.21707430370677205
Energy: 0.16557806429892064
Energy: 0.1640204556231806
Energy: 0.23113362170117535
Energy: 0.23210070709251668
Energy: 0.2157967534640794
Energy: 0.22229391418299668
Energy: 0.20879503181065182
Energy: 0.23280658426950837
Energy: 0.23766942030352883
Energy: 0.2441475359710661
Energy: 0.21889553713543833
Energy: 0.21290624507420078
Energy: 0.23512615225890768
Energy: 0.22874975103076656
Energy: 0.22711586033311779
Energy: 0.18651115628452666
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Energy: 0.23619063085567654
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Energy: 0.21926785316046613
Energy: 0.14262140012545993
Energy: 0.241994091446221
Energy: 0.22127974273098983
Energy: 0.25922690889413424
Energy: 0.18601977694208113

minimum gb energy = 0.14255847263131768 eV
minimum distance =  2.64792862088047 Angstroms
sigma value = 33


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

Energy: 0.7420438823089126
Energy: 0.35558710470552163
Energy: 0.3867348647134109
Energy: 0.3574513973634307
Energy: 0.34554013905085773
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Energy: 0.38319965622109015
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Energy: 0.3814281643094678
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Energy: 0.356737500293445
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Energy: 0.3872907193935556
Energy: 0.3638084984041705
Energy: 0.3647512425436464
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Energy: 0.43060092192203797
Energy: 0.35126805596111693
Energy: 0.36378602225817813
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Energy: 0.45322850805550996
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Energy: 0.35023662108800874
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Energy: 0.362953801885741
Energy: 0.34798097658349453
Energy: 0.41838197234185814
Energy: 0.35905677276277176
Energy: 0.3588306531312443
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Energy: 0.3550608684131082
Energy: 0.3820210237116578
Energy: 0.3734048663758279
Energy: 0.3486438355545493
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Energy: 0.37971077619134685
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Energy: 0.3422214804241456
Energy: 0.3488333108752881
Energy: 0.3810602102102906
Energy: 0.3561521073363228
Energy: 0.36245081465046886

minimum gb energy = 0.3422214804241456 eV
minimum distance =  2.61764710097638 Angstroms
sigma value = 219


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

Energy: 0.6877334405456557
Energy: 0.44532323434051585
Energy: 0.4487605500337575
Energy: 0.43797903684946826
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Energy: 0.44117997424003563
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Energy: 0.4460825432229541
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Energy: 0.5242270679303046
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Energy: 0.4676190667943386
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Energy: 0.4218064250454602
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Energy: 0.44433976759190297
Energy: 0.5965569484015688
Energy: 0.42130932662519427
Energy: 0.44548439257076505
Energy: 0.4845947850465013
Energy: 0.44427729917676406
Energy: 0.44696507846219147
Energy: 0.4600285006576712
Energy: 0.4628640242290656
Energy: 0.45001237852730097
Energy: 0.4446679561830798
Energy: 0.43556124932799156
Energy: 0.4600091529702382
Energy: 0.4640199052812183
Energy: 0.4488088589554077
Energy: 0.4458084752787718
Energy: 0.421519568202688
Energy: 0.44497215758442277
Energy: 0.44881835755790844
Energy: 0.44802956893665663
Energy: 0.44439789002728064
Energy: 0.42186546095349275
Energy: 0.4394228520433569
Energy: 0.4481752983169523
Energy: 0.4451082042169811
Energy: 0.44374344035395896

minimum gb energy = 0.4132752343594824 eV
minimum distance =  2.61242950249349 Angstroms
sigma value = 15


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

Energy: 0.6466710777814099
Energy: 0.5338074415165813
Energy: 0.5303971537935274
Energy: 0.5029457450470666
Energy: 0.4965150006893808
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Energy: 0.5172852104687818
Energy: 0.5398599177408843
Energy: 0.500659620776332
Energy: 0.4963784605135197
Energy: 0.632815921081619
Energy: 0.5084673268031763
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Energy: 0.5653740464833898
Energy: 0.5089132749271293
Energy: 0.4934393031048494
Energy: 0.4909014892495434
Energy: 0.5226484732774279
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minimum gb energy = 0.4842259555956345 eV
minimum distance =  2.60307154554669 Angstroms
sigma value = 293


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

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Energy: 0.4863856039767548
Energy: 0.5277694778883909
Energy: 0.5567391991766277
Energy: 0.5052458216377282
Energy: 0.5468777439167458
Energy: 0.5011447315430271
Energy: 0.5434913125452172
Energy: 0.5242371138679888
Energy: 0.5649836532945113
Energy: 0.4986972462876453
Energy: 0.5017011332449647
Energy: 0.5414015994190391
Energy: 0.50529680185247
Energy: 0.5650320175042327
Energy: 0.5274379897063829
Energy: 0.5208996309313638
Energy: 0.5326101944339706
Energy: 0.5625846252657987
Energy: 0.5612201304712082
Energy: 0.5409704173352097
Energy: 0.5216704627695437
Energy: 0.5340258013668788
Energy: 0.5619108352696135
Energy: 0.5632791291685255
Energy: 0.49874412379745137
Energy: 0.5188863751832767
Energy: 0.5623186689624605
Energy: 0.5646582347372556
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Energy: 0.5648777289352628
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Energy: 0.565534605639654
Energy: 0.6159856521842374
Energy: 0.527518270287843
Energy: 0.4865800654343596
Energy: 0.4886548600326522
Energy: 0.47131030248871997
Energy: 0.614992588948494
Energy: 0.4903379245436585
Energy: 0.4867467509736919
Energy: 0.48847865469682933
Energy: 0.631937513548784
Energy: 0.5447006930037874
Energy: 0.5258476571001975
Energy: 0.48983135636965625
Energy: 0.48620940500528415
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Energy: 0.5656176663114919
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Energy: 0.6216891459044382
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Energy: 0.4905903480173546
Energy: 0.5441809819568936
Energy: 0.6260221050539693
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Energy: 0.4890284501790509
Energy: 0.49159034195721824
Energy: 0.5269805139534042
Energy: 0.5344558286617102
Energy: 0.48962083929166234
Energy: 0.487270266506772
Energy: 0.48979699088878886
Energy: 0.5271156534697449
Energy: 0.48931754207495387
Energy: 0.48947644634079696
Energy: 0.48753879524946214
Energy: 0.48958421669639224
Energy: 0.6118155339565942
Energy: 0.6284059567353592
Energy: 0.5265478154233177
Energy: 0.48675494263049246
Energy: 0.5097924079026448
Energy: 0.6142213833063288
Energy: 0.628408669505255
Energy: 0.5266497463066682
Energy: 0.4866354831484532
Energy: 0.5042420489463819
Energy: 0.538448213325905
Energy: 0.5640322101416537
Energy: 0.5392126484039437
Energy: 0.5014554581627336
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Energy: 0.5591458531270427
Energy: 0.5646803128254861
Energy: 0.5635421910904033
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Energy: 0.5273108825095685
Energy: 0.5597982699686005
Energy: 0.5647098759058019
Energy: 0.5644350928752635
Energy: 0.5065587540361188
Energy: 0.5374710952277375
Energy: 0.5608890139758129
Energy: 0.5467187184608392
Energy: 0.533932234976056
Energy: 0.5127694853897846
Energy: 0.5630616581838946
Energy: 0.5609794534622485
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Energy: 0.5748614331546146
Energy: 0.5124158313284064
Energy: 0.5630154325978816
Energy: 0.4861627226738215
Energy: 0.48858023359809827
Energy: 0.6148052848464635
Energy: 0.616337996798325
Energy: 0.5358497692749141
Energy: 0.4865745406861797
Energy: 0.4888056097889528
Energy: 0.6175895747055506
Energy: 0.6165905170096551
Energy: 0.48612375506914357
Energy: 0.48779679562139533
Energy: 0.48714216972780294
Energy: 0.4911436281456318
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Energy: 0.48773136236427517
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Energy: 0.5068802361356906
Energy: 0.5259630210910566
Energy: 0.49238181332270525
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Energy: 0.5589402480467868
Energy: 0.5580084855528668
Energy: 0.507543225351996
Energy: 0.5258749841146617
Energy: 0.5052218999461546
Energy: 0.5589863887231076
Energy: 0.5575286355430452
Energy: 0.5075641366607248
Energy: 0.4901639867635049
Energy: 0.6021603161737435
Energy: 0.6163738544476315
Energy: 0.5135303956669268
Energy: 0.5194343605811339
Energy: 0.6166862607466844
Energy: 0.6370976438768535
Energy: 0.614673056455548
Energy: 0.5140484079230471
Energy: 0.49166095632120416
Energy: 0.6167355596897443
Energy: 0.5781264447597982
Energy: 0.4903782490697334
Energy: 0.5278388112535374
Energy: 0.5435898857858693
Energy: 0.617702557479244
Energy: 0.4865155142902994
Energy: 0.4905806064513724
Energy: 0.5271161757129523
Energy: 0.544833666114462
Energy: 0.5646915482547222
Energy: 0.48657898896166185
Energy: 0.4878082865438199
Energy: 0.49074154997607217
Energy: 0.5624949923198101
Energy: 0.5447465479883021
Energy: 0.48623651356108144
Energy: 0.4875535949363204
Energy: 0.5258489097509582
Energy: 0.5377763200681027
Energy: 0.48997567259733293
Energy: 0.48860327456535657
Energy: 0.5208480509430709
Energy: 0.5264497703031862
Energy: 0.6281935381107607
Energy: 0.615476082586877
Energy: 0.4870001027186263
Energy: 0.5220844210489358
Energy: 0.5266032571698337
Energy: 0.6282551494010074
Energy: 0.614183096451266
Energy: 0.5441871369975241
Energy: 0.49984089324497327
Energy: 0.543009008313214
Energy: 0.5063523315476919
Energy: 0.5638270218731175
Energy: 0.4996231435852253
Energy: 0.5008110284924566
Energy: 0.5427972350121233
Energy: 0.5261024730139028
Energy: 0.5644603515939548
Energy: 0.5421686534820882
Energy: 0.5214644744895448
Energy: 0.5371469469947644
Energy: 0.5627156091602441
Energy: 0.5616889647125989
Energy: 0.5883314342633479
Energy: 0.5211723872533679
Energy: 0.5584455524132986
Energy: 0.5619598407259467
Energy: 0.5611047953851973
Energy: 0.6154592615004032
Energy: 0.48893122822859914
Energy: 0.5639982279491842
Energy: 0.5623835132193509
Energy: 0.5262207052203671
Energy: 0.6155008678718747
Energy: 0.489099875749861
Energy: 0.5633637409561747
Energy: 0.4887290070532402
Energy: 0.5105484800448221

minimum gb energy = 0.47131030248871997 eV
minimum distance =  2.597699123009 Angstroms
sigma value = 293


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

Energy: 0.46326180910484144
Energy: 0.5616732327676592
Energy: 0.535848761322476
Energy: 0.601673504334439
Energy: 0.5385777144806739
Energy: 0.4643827122102591
Energy: 0.5619437710583725
Energy: 0.5361766876235338
Energy: 0.6011537120882079
Energy: 0.464621047215131
Energy: 0.5797859240856982
Energy: 0.5347434542811224
Energy: 0.535141046505769
Energy: 0.6012371519894127
Energy: 0.600597946720514
Energy: 0.580488982467407
Energy: 0.5348086661545589
Energy: 0.5403596134528784
Energy: 0.6022874675566815
Energy: 0.6006369172932151
Energy: 0.5619509874301566
Energy: 0.5354612403155388
Energy: 0.5344143849270473
Energy: 0.5357490105516459
Energy: 0.5808826220999802
Energy: 0.5619686329839783
Energy: 0.5353401793066368
Energy: 0.5344414956921205
Energy: 0.5362586963809665
Energy: 0.5375192339002713
Energy: 0.5814797922255333
Energy: 0.4640341647776896
Energy: 0.46416953053229265
Energy: 0.6009629061752986
Energy: 0.5372786436830275
Energy: 0.5817068531151428
Energy: 0.46429690288030295
Energy: 0.46417974221080466
Energy: 0.561728571033364
Energy: 0.531454565706546
Energy: 0.6011893842093817
Energy: 0.5400634963232145
Energy: 0.46369898189642245
Energy: 0.4779616391327369
Energy: 0.5350504223671326
Energy: 0.6026213953809542
Energy: 0.46383535663449976
Energy: 0.46409226379052254
Energy: 0.47821841137999815
Energy: 0.5352901042606131
Energy: 0.6010452130664694
Energy: 0.5354185421921598
Energy: 0.5616814206734354
Energy: 0.5353652407068297
Energy: 0.5957595898670695
Energy: 0.6012136398714596
Energy: 0.5352862260632513
Energy: 0.5615392573541792
Energy: 0.5345301420201083
Energy: 0.5959721420637535
Energy: 0.5827479037368319
Energy: 0.4700812836423955
Energy: 0.5621321509461426
Energy: 0.5353342488172337
Energy: 0.4779088468284588
Energy: 0.5823570708994199
Energy: 0.46899812654789835
Energy: 0.5619492067923897
Energy: 0.5353244997399302
Energy: 0.4778807953187882
Energy: 0.5622044977990598
Energy: 0.5803726379323445
Energy: 0.5366952143646749
Energy: 0.4635113708507573
Energy: 0.5407978602748634
Energy: 0.5622937386052049
Energy: 0.5813276835731395
Energy: 0.5354161490942952
Energy: 0.46357814571849315
Energy: 0.5385601304108939
Energy: 0.53486770669317
Energy: 0.539414415365272
Energy: 0.601036699220521
Energy: 0.4642044707510626
Energy: 0.58133981794014
Energy: 0.5350238845761567
Energy: 0.6018771243000415
Energy: 0.6009589887233028
Energy: 0.46388365217249855
Energy: 0.5826468612032611
Energy: 0.5348797168459356
Energy: 0.47916213959882065
Energy: 0.5815491186437972
Energy: 0.5621098517933933
Energy: 0.5619009847794035
Energy: 0.5352260233599406
Energy: 0.4784853941370982
Energy: 0.5814922402144395
Energy: 0.5623135955541725
Energy: 0.5356186296079649
Energy: 0.4641437586221229
Energy: 0.5622436161610795
Energy: 0.5620665188284414
Energy: 0.5620775443503563
Energy: 0.5823975745536721
Energy: 0.46406571929356344
Energy: 0.5623951729966954
Energy: 0.5318131759966385
Energy: 0.5619827179255843
Energy: 0.5817379279825692
Energy: 0.4634222994885886
Energy: 0.5614743007900107
Energy: 0.5359386497736399
Energy: 0.6009516156250255
Energy: 0.538670754686661
Energy: 0.464160192605636
Energy: 0.5618697004748251
Energy: 0.5356213416293032
Energy: 0.6014024354096705
Energy: 0.5404102609342415
Energy: 0.5799411744652975
Energy: 0.5350052752722932
Energy: 0.5350457149751863
Energy: 0.6013584113387508
Energy: 0.6006138047436453
Energy: 0.5803287291318715
Energy: 0.5346883757848302
Energy: 0.5398538654774462
Energy: 0.6023274775830685
Energy: 0.6005878403234449
Energy: 0.5619325017848346
Energy: 0.535628922751499
Energy: 0.5343196399647087
Energy: 0.536029226058006
Energy: 0.5807978920946307
Energy: 0.5620342679520635
Energy: 0.5351303265037954
Energy: 0.534532688460802
Energy: 0.53625951282722
Energy: 0.5373231530601896
Energy: 0.5367976494323302
Energy: 0.4638896773611691
Energy: 0.46411742661984934
Energy: 0.6009294705364279
Energy: 0.5375255868989008
Energy: 0.5811347098252233
Energy: 0.46417760741361996
Energy: 0.4639444421811753
Energy: 0.6009558063917289
Energy: 0.5377923253453776
Energy: 0.6012044340413935
Energy: 0.5401274003437863
Energy: 0.46378474001453174
Energy: 0.4782643547531536
Energy: 0.534971359880674
Energy: 0.6019722771869084
Energy: 0.46394514181479596
Energy: 0.4639937808826716
Energy: 0.47807712459540663
Energy: 0.535145305330288
Energy: 0.6010559340714535
Energy: 0.535712427295991
Energy: 0.5618387387373934
Energy: 0.5356226778086542
Energy: 0.5398113328146275
Energy: 0.6012248326072784
Energy: 0.5353423549898615
Energy: 0.5613610959338942
Energy: 0.5345192786026305
Energy: 0.5936100304978216
Energy: 0.5620638901161917
Energy: 0.47011131401531225
Energy: 0.5623015066097494
Energy: 0.5352822346462575
Energy: 0.4780945811179768
Energy: 0.5620873419290479
Energy: 0.4690054453195096
Energy: 0.5623202975906277
Energy: 0.5353608032396805
Energy: 0.4784409927345513
Energy: 0.5621330869088735
Energy: 0.580576292873865
Energy: 0.5822679716547918
Energy: 0.46381776528944807
Energy: 0.540629593011861
Energy: 0.5621439098520209
Energy: 0.580955091461505
Energy: 0.5355952133953804
Energy: 0.46385629253086996
Energy: 0.5385250913258072
Energy: 0.5346835539219731
Energy: 0.5937930839281745
Energy: 0.6012880625999526
Energy: 0.4639456970273296
Energy: 0.5820928018292352
Energy: 0.5349926742402336
Energy: 0.6015419375047864
Energy: 0.6012225704435779
Energy: 0.4639963160184144
Energy: 0.5351168502585297
Energy: 0.5355684475609418
Energy: 0.47870301972817064
Energy: 0.581284169099023
Energy: 0.5622566199134361
Energy: 0.5620262513897959
Energy: 0.5345051216539475
Energy: 0.4788261154981652
Energy: 0.5814027016465828
Energy: 0.5622217932180155
Energy: 0.5354362687849807
Energy: 0.46404986676553744
Energy: 0.5624006247172707
Energy: 0.5622532533739804
Energy: 0.5618686652252658
Energy: 0.5813759537467024
Energy: 0.46408193210193577
Energy: 0.5624240827586634
Energy: 0.5318256972215204
Energy: 0.5617701715042238
Energy: 0.5838161663290611

minimum gb energy = 0.46326180910484144 eV
minimum distance =  2.61013330588034 Angstroms
sigma value = 15


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

Energy: 0.5346772321229298
Energy: 0.6091874591169562
Energy: 0.569837636848704
Energy: 0.538292614276747
Energy: 0.5823810965987684
Energy: 0.5126269557507575
Energy: 0.5462526069150968
Energy: 0.547510214569233
Energy: 0.5519251472669273
Energy: 0.5365421314732521
Energy: 0.5349827471229753
Energy: 0.5464808371669522
Energy: 0.5267621478816557
Energy: 0.5273495426443278
Energy: 0.5845070342265449
Energy: 0.5922339553252098
Energy: 0.5700286946828466
Energy: 0.5254058317296133
Energy: 0.5702847748932681
Energy: 0.5430024565848139
Energy: 0.5982757428325725
Energy: 0.599988577897755
Energy: 0.5438610746289174
Energy: 0.5509130534533037
Energy: 0.5765486623669689
Energy: 0.5921280354665456
Energy: 0.5976721736571862
Energy: 0.5686606718576039
Energy: 0.5388896405030238
Energy: 0.5616423429946547
Energy: 0.5658491495373779
Energy: 0.5117218056801036
Energy: 0.5774572974626051
Energy: 0.6138645684413173
Energy: 0.5717322758349865
Energy: 0.5639259701934004
Energy: 0.5124302181339575
Energy: 0.5844616307998611
Energy: 0.58560320487678
Energy: 0.5619741137690948
Energy: 0.5955726506627588
Energy: 0.575288325062552
Energy: 0.5536891946113899
Energy: 0.545351106098243
Energy: 0.6063031621614003
Energy: 0.5959878768386929
Energy: 0.5762894310224445
Energy: 0.527780167268905
Energy: 0.5464839472010832
Energy: 0.5875636669708223
Energy: 0.5920038420159405
Energy: 0.5149707469997337
Energy: 0.5417409737397927
Energy: 0.6192727923348066
Energy: 0.6177955334029859
Energy: 0.5718376769270466
Energy: 0.5142083943243779
Energy: 0.5420267291722015
Energy: 0.6154313834018352
Energy: 0.6025729091498245
Energy: 0.5164999610081107
Energy: 0.5146874561811118
Energy: 0.518515513365572
Energy: 0.6199816549059554
Energy: 0.5773963333739839
Energy: 0.5125541395635712
Energy: 0.5144412120787458
Energy: 0.5170993320352086
Energy: 0.6341935728346836
Energy: 0.5723107816906707
Energy: 0.5670336491946231
Energy: 0.513199265416507
Energy: 0.5147584509652778
Energy: 0.5533107763383065
Energy: 0.5657129647697005
Energy: 0.5650963530985523
Energy: 0.5122334441863827
Energy: 0.5240775744719179
Energy: 0.5757886781427904
Energy: 0.5898645771116202
Energy: 0.5503673985935359
Energy: 0.6157638795524022
Energy: 0.5944194707567464
Energy: 0.5746733936609942
Energy: 0.5240777248328855
Energy: 0.5505817828515744
Energy: 0.6150666994078836
Energy: 0.5966415874205
Energy: 0.5498346815869818
Energy: 0.515324871466761
Energy: 0.5679025778455284
Energy: 0.5162910997222458
Energy: 0.5138946392733682
Energy: 0.5194941987981928
Energy: 0.5220372431231066
Energy: 0.5511771685242336
Energy: 0.513431973502359
Energy: 0.5138487240826266
Energy: 0.515016929629086
Energy: 0.5197101867438202
Energy: 0.5334616853767489
Energy: 0.5940088342143175
Energy: 0.5342198574145128
Energy: 0.5138481533249706
Energy: 0.5197421097035807
Energy: 0.5418896628529808
Energy: 0.5763265273293006
Energy: 0.5372488526221665
Energy: 0.5146803665645036
Energy: 0.515386237101437
Energy: 0.5722085138885389
Energy: 0.5655609907386923
Energy: 0.5444837569532531
Energy: 0.5512113776854425
Energy: 0.5527543916883413
Energy: 0.5727917264287223
Energy: 0.5482641432069217
Energy: 0.5328620826250083
Energy: 0.559178058557753
Energy: 0.5750689349200178
Energy: 0.5511554032991104
Energy: 0.5545289601096198
Energy: 0.5127527857766874
Energy: 0.5157580111707559
Energy: 0.5545165332467608
Energy: 0.5374376856166287
Energy: 0.5678870675242433
Energy: 0.5228416372288628
Energy: 0.5273258484688801
Energy: 0.5683956258199606
Energy: 0.5264086857896104
Energy: 0.5508081737282894
Energy: 0.5703824072521719
Energy: 0.5562611010064025
Energy: 0.5629806558662354
Energy: 0.527299479112059
Energy: 0.5637471940204537
Energy: 0.5421223591616989
Energy: 0.5619570318165944
Energy: 0.5635826827713101
Energy: 0.5408469895189975
Energy: 0.5701032815082854
Energy: 0.5656105584790059
Energy: 0.5908314674351679
Energy: 0.5921903228337048
Energy: 0.535067723921084
Energy: 0.565810632643037
Energy: 0.5670483007939271
Energy: 0.5907514982898467
Energy: 0.5817147895955777
Energy: 0.6004907062398418
Energy: 0.5726817592607862
Energy: 0.5733595414019554
Energy: 0.5727243109250995
Energy: 0.5702244429607745
Energy: 0.608544433853986
Energy: 0.5660677126066336
Energy: 0.5714266048163303
Energy: 0.5756800015508681
Energy: 0.5169337573028915
Energy: 0.5702433674027312
Energy: 0.5599373538259448
Energy: 0.5981546379541213
Energy: 0.616345513887996
Energy: 0.5778386770970144
Energy: 0.5636487416067465
Energy: 0.5661421699830799
Energy: 0.5963166872890036
Energy: 0.5947482035093349
Energy: 0.553114373899328
Energy: 0.6262898980108195
Energy: 0.6189461444334733
Energy: 0.6154524561867176
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Energy: 0.6294705865031069
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Energy: 0.6106771133853381
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Energy: 0.5137630475440176
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Energy: 0.5106712687627036
Energy: 0.5880110428876226
Energy: 0.6049534274603903
Energy: 0.6039420366436713
Energy: 0.5357104931162686
Energy: 0.5136708618873839
Energy: 0.5160634874853025
Energy: 0.5505332648587098
Energy: 0.61021749063668
Energy: 0.5309958327547898
Energy: 0.513622722196557
Energy: 0.5207468526468576
Energy: 0.5723896366836244
Energy: 0.5511667791319701
Energy: 0.5341524924482918
Energy: 0.5131305572772249
Energy: 0.5636105869118511
Energy: 0.5729193031412924
Energy: 0.5659145171731518
Energy: 0.5210654274977063
Energy: 0.5096882929634697
Energy: 0.5486697212659
Energy: 0.5353171066943547
Energy: 0.5706878096868492
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Energy: 0.5256520963159025
Energy: 0.6005631231500262
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Energy: 0.5696436970158024
Energy: 0.5850065932890393
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Energy: 0.5121105061253247
Energy: 0.5213975381795848
Energy: 0.5434602187306853
Energy: 0.5418533868273547
Energy: 0.541518801659636
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Energy: 0.6005698466251752
Energy: 0.5549350172339774
Energy: 0.5409048298522081
Energy: 0.5461500758166908
Energy: 0.5629024041531564
Energy: 0.6048175326417627
Energy: 0.5714618536689954
Energy: 0.6049765082749868
Energy: 0.5662973376213505
Energy: 0.573003954867903
Energy: 0.5843644649554088
Energy: 0.5100282996359685
Energy: 0.5999578246488556
Energy: 0.5642583807976792
Energy: 0.5665986801570657
Energy: 0.5903756678197503
Energy: 0.5092759830649645
Energy: 0.571838750129041
Energy: 0.5851334766385814
Energy: 0.602443239604763
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Energy: 0.5828938728419353
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Energy: 0.5953175099835699
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Energy: 0.618160436337866
Energy: 0.6039304685860111
Energy: 0.5171836484211654
Energy: 0.5829189524855692
Energy: 0.6209619434973613
Energy: 0.6188175929201979
Energy: 0.6018025031959515
Energy: 0.5187492783227033
Energy: 0.5448221871201057
Energy: 0.6123305665545935
Energy: 0.5151518989160622
Energy: 0.5150548924323861
Energy: 0.5155670195399553
Energy: 0.5465419086990978
Energy: 0.5947293624288608
Energy: 0.5145559285344671
Energy: 0.5156266483920536
Energy: 0.5173875720394007
Energy: 0.5154352156278076
Energy: 0.576059759978452
Energy: 0.5933556914284173
Energy: 0.5138148827370788
Energy: 0.5142633165036664
Energy: 0.5722128672310105
Energy: 0.575264031725945
Energy: 0.5953157535476441
Energy: 0.5143535042505066
Energy: 0.5140975271947025
Energy: 0.5839739222411322
Energy: 0.5593216277016823
Energy: 0.5124904398495688
Energy: 0.5109856402616255
Energy: 0.5706518283714148
Energy: 0.5923569990002682
Energy: 0.5713772731355965
Energy: 0.5125378624224137
Energy: 0.5157142940711033
Energy: 0.5696472468602188
Energy: 0.509711645377032
Energy: 0.5121523536735905
Energy: 0.6002563527130406
Energy: 0.6148239339267721
Energy: 0.5674991743872083
Energy: 0.5166749595676698
Energy: 0.5156037348581162
Energy: 0.5864987544957078
Energy: 0.6270006228967505
Energy: 0.5702470081078802
Energy: 0.5249645546201523
Energy: 0.5132402532326379
Energy: 0.5144906914731274
Energy: 0.5750384404925476
Energy: 0.5244087001906226
Energy: 0.5161376080179625
Energy: 0.5200856373225906
Energy: 0.5210947837212321
Energy: 0.5770688027681685
Energy: 0.524637333499933
Energy: 0.5362528866275951
Energy: 0.5190220625571603
Energy: 0.5759154702400998
Energy: 0.5681146116720245
Energy: 0.5844143689285166
Energy: 0.5300285334553158
Energy: 0.5948998898143768
Energy: 0.5748175591546286
Energy: 0.5758540957903722
Energy: 0.6043966220888591
Energy: 0.5369436490672161
Energy: 0.6108961965314575
Energy: 0.574446235323041
Energy: 0.5280113593951126
Energy: 0.613516610610175
Energy: 0.5148504847113872
Energy: 0.5452243536539175
Energy: 0.5385697563584706
Energy: 0.5714107612723018
Energy: 0.6021291607279211

minimum gb energy = 0.5092759830649645 eV
minimum distance =  2.57214053848793 Angstroms
sigma value = 437


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

Energy: 0.6659518312774656
Energy: 0.565157179007054
Energy: 0.574420672629583
Energy: 0.592938702752313
Energy: 0.5301873474012291
Energy: 0.6632248948395624
Energy: 0.5647011803850186
Energy: 0.5148545724671992
Energy: 0.5869704462400588
Energy: 0.5522457346775406
Energy: 0.5440512242781214
Energy: 0.5799337913787866
Energy: 0.5678340395912145
Energy: 0.5720647937375671
Energy: 0.5845788325229028
Energy: 0.5445334736421218
Energy: 0.5804986720241451
Energy: 0.5689338882444133
Energy: 0.5864586903310792
Energy: 0.5790857567562422
Energy: 0.5388005985399845
Energy: 0.5548919571300763
Energy: 0.587293192077741
Energy: 0.523278900283357
Energy: 0.5403345737101991
Energy: 0.5390363405506657
Energy: 0.5873943688320509
Energy: 0.578493262182667
Energy: 0.5402290257998386
Energy: 0.5428050735284428
Energy: 0.5397545364233649
Energy: 0.5251061780938261
Energy: 0.6587021434773864
Energy: 0.5523023704221233
Energy: 0.537075487200151
Energy: 0.5399758377661166
Energy: 0.5444496495883637
Energy: 0.6580845097938389
Energy: 0.5616951052878884
Energy: 0.536951830884178
Energy: 0.5344724348213845
Energy: 0.5682977919239598
Energy: 0.6053503733896912
Energy: 0.5418485847555362
Energy: 0.5506137997944254
Energy: 0.5354489686887907
Energy: 0.5700655938082058
Energy: 0.6038635520751443
Energy: 0.5421861885866276
Energy: 0.4936151002933661
Energy: 0.5563474596139053
Energy: 0.5211014757473269
Energy: 0.5377684344816366
Energy: 0.5367010230273938
Energy: 0.6629230540495274
Energy: 0.5964461632913804
Energy: 0.5041182176396789
Energy: 0.5500101332111469
Energy: 0.5366793594259127
Energy: 0.6662011017361225
Energy: 0.5380327067646661
Energy: 0.5350993274304771
Energy: 0.5401122365907994
Energy: 0.5543110800095478
Energy: 0.5803899416696702
Energy: 0.5380082393359309
Energy: 0.5433303342419997
Energy: 0.5403506272304804
Energy: 0.563923896529562
Energy: 0.5805520932936551
Energy: 0.5756688416976344
Energy: 0.5377639624491379
Energy: 0.5045716552838041
Energy: 0.6176682654649385
Energy: 0.5801809218601887
Energy: 0.5501339356650696
Energy: 0.5417579627896558
Energy: 0.5483536140769165
Energy: 0.5872882690308421
Energy: 0.5791725383776521
Energy: 0.5222107736879827
Energy: 0.6605300085128436
Energy: 0.5697604335764808
Energy: 0.5801772961688395
Energy: 0.5197611699268356
Energy: 0.532643805168207
Energy: 0.6587807871284573
Energy: 0.5714445878188691
Energy: 0.5868304931905479
Energy: 0.519480257656371
Energy: 0.5646873745354168
Energy: 0.6205350864953234
Energy: 0.5614354923791586
Energy: 0.5777951569371801
Energy: 0.5707322273577713
Energy: 0.5898925674046581
Energy: 0.6197730220332678
Energy: 0.5618649775497268
Energy: 0.6265560233530472
Energy: 0.5700867563328352
Energy: 0.5053594318308025
Energy: 0.5074954654281932
Energy: 0.566301263112014
Energy: 0.6036775319651283
Energy: 0.5945143512883677
Energy: 0.5064132314296413
Energy: 0.5107461930867285
Energy: 0.5656410678256842
Energy: 0.6032128073247286
Energy: 0.5202209971806727
Energy: 0.5075819192081809
Energy: 0.5079687814487732
Energy: 0.5147253520096241
Energy: 0.5678023114894728
Energy: 0.5079022516688623
Energy: 0.5080810741301107
Energy: 0.5141673685992153
Energy: 0.5586506571950652
Energy: 0.5669727822702428
Energy: 0.5083310427342638
Energy: 0.5074470122154286
Energy: 0.5036431649495989
Energy: 0.6145387950912117
Energy: 0.5819578248772549
Energy: 0.5675875932295854
Energy: 0.5094151748902123
Energy: 0.5468143345741677
Energy: 0.6146729911446248
Energy: 0.5824289256539661
Energy: 0.5669686732717297
Energy: 0.5786613799604703
Energy: 0.5658927881399833
Energy: 0.5596791943247225
Energy: 0.5150229527236461
Energy: 0.5145397928631602
Energy: 0.5770852954622736
Energy: 0.565882459151423
Energy: 0.5612951414913112
Energy: 0.5157290374978608
Energy: 0.552798953479959

minimum gb energy = 0.4936151002933661 eV
minimum distance =  2.56831464517164 Angstroms
sigma value = 33