Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
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=[1.9559532565535397e-19, 2.7100016675793e-19, 3.28420575143856e-19, 3.7546688982463196e-19, 4.1539954025044794e-19, 4.49724572457264e-19, 4.79576327501952e-19, 5.057494849949759e-19, 5.2891856129925e-19, 5.49365539502358e-19, 5.674156614610019e-19, 5.833493080861319e-19, 5.97488516881182e-19, 6.098813531451719e-19, 6.20673614951796e-19, 6.299854655486039e-19, 6.379258529467079e-19, 6.4458770339088e-19, 6.500511257128199e-19, 6.543882178610579e-19, 6.576742821373919e-19, 6.599782121370839e-19, 6.61325642686278e-19, 6.61766241260628e-19, 6.61291996976964e-19, 6.597555095849579e-19, 6.570045723043799e-19, 6.5287896747183e-19, 6.47061464113776e-19, 6.39222013843614e-19, 6.289152115570919e-19, 6.15657199910742e-19, 5.988519691967159e-19, 5.77764120340008e-19, 5.5158936067035e-19, 5.19102025062732e-19, 4.78863358899822e-19, 4.2916864624304393e-19, 3.6771876362260793e-19, 2.91344605656462e-19, 1.9603592422970398e-19, 7.645795180410419e-20, -7.4571709252896e-20, -2.6681848574319e-19, -5.14745706794886e-19, -8.38487926167462e-19, -1.2681676667567519e-18, -1.8511548829236e-18, -2.6616159332324998e-18, -3.824539821255059e-18, -5.562581033818259e-18, -8.304081494021999e-18, -1.296407632107636e-17, -2.1799856152857597e-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: 0.014309069887211279
Energy: 0.14750496603608407
Energy: 0.0318100899321552
Energy: 0.03724294118044932
Energy: 0.14560564493810074
Energy: 0.03841469991872499
Energy: 0.14714881477704905
Energy: 0.03393179501212796
Energy: 0.03748892815184672
Energy: 0.017355768353080746
Energy: 0.030614997240003477
Energy: 0.0341396753205922
Energy: 0.15081680947202747
Energy: 0.015783319670791416
Energy: 0.015820146331769168
Energy: 0.030687132752419823
Energy: 0.03448750036637677
Energy: 0.14999989924776175
Energy: 0.03570433864203103
Energy: 0.14414256403906509
Energy: 0.03656691944516258
Energy: 0.03627269775611256
Energy: 0.1422906157293255
Energy: 0.018279596540131837
Energy: 0.03290400497233125
Energy: 0.1556225046212155
Energy: 0.01851430283528278
Energy: 0.014693459077185785
Energy: 0.14739568432216216
Energy: 0.03441088362529212
Energy: 0.016663124022822107
Energy: 0.14411522473522356
Energy: 0.03395854638200323
Energy: 0.036801847398584386
Energy: 0.03035950765907438
Energy: 0.03655465372838291
Energy: 0.01555678268801684
Energy: 0.022507313521056435
Energy: 0.03694055637160815
Energy: 0.02304020991254287
Energy: 0.01698966084622313
Energy: 0.03597220280678357
Energy: 0.036170515685200244
Energy: 0.019679427183304878
Energy: 0.014803623134282151
Energy: 0.03433603959320468
Energy: 0.03747404182099843
Energy: 0.03645568278556457
Energy: 0.03315823113050597
Energy: 0.01460927464619298
Energy: 0.036316132496505275
Energy: 0.03464294746562124
Energy: 0.14470102627657358
Energy: 0.0150484783202946
Energy: 0.021026688903045834
Energy: 0.037107234393690146
Energy: 0.024445971698932714
Energy: 0.016515351806412375
Energy: 0.1432541982644386
Energy: 0.03140216199003663
Energy: 0.021560794212103697
Energy: 0.142812237739002
Energy: 0.036403209775516435
Energy: 0.15260655766431244
Energy: 0.03398142377475599
Energy: 0.0329565069233029
Energy: 0.014672489955556773
Energy: 0.017456747835025946
Energy: 0.15385788567908396
Energy: 0.032272895892721316

minimum gb energy = 0.014309069887211279 eV
minimum distance =  2.48334290967303 Angstroms
sigma value = 3


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

Energy: 1.630252652820228
Energy: 1.4401875665950359
Energy: 1.387885096617817
Energy: 1.3293716304488215
Energy: 1.4065241415309582
Energy: 1.3928422530125064
Energy: 1.3905552652635005
Energy: 1.3880798060064254
Energy: 1.3887678522893487
Energy: 1.5877917121095182
Energy: 1.328678771426929
Energy: 1.3871386508097099
Energy: 1.390796241747261
Energy: 1.4927724250239112
Energy: 1.4348711581494769
Energy: 1.3895308183175736
Energy: 1.387904365219583
Energy: 1.389353270203638
Energy: 1.395122997575997
Energy: 1.43756513162442
Energy: 1.3804200037586765
Energy: 1.321874745948539
Energy: 1.4108962561006346
Energy: 1.3761680339157316
Energy: 1.3879900311763322
Energy: 1.408743599995383
Energy: 1.4881489597651265
Energy: 1.4331721932862416
Energy: 1.4072078434279574
Energy: 1.3881864345471016
Energy: 1.5291105444029383
Energy: 1.4065793207878645
Energy: 1.407090434661051
Energy: 1.3349020278868275
Energy: 1.3335709272113507
Energy: 1.395446174021345
Energy: 1.3926466400666233
Energy: 1.3940568601217092
Energy: 1.4068655023111218
Energy: 1.4881144726808768
Energy: 1.4417501039424387
Energy: 1.3931035548189148
Energy: 1.4888598427983444
Energy: 1.515857351999623
Energy: 1.3892573412609102
Energy: 1.3915146472511426
Energy: 1.3874881987593772
Energy: 1.3323124815556024
Energy: 1.3345605228698845
Energy: 1.3324262235970277
Energy: 1.3387960175568443
Energy: 1.3360827129951005
Energy: 1.318939758102605
Energy: 1.320557091287455
Energy: 1.4290381588084513
Energy: 1.42612901832062
Energy: 1.3897651994269926
Energy: 1.3201404251243805
Energy: 1.32143280891295
Energy: 1.3211555243867728
Energy: 1.3288521606423354
Energy: 1.3322168104058008
Energy: 1.3355265428221954
Energy: 1.3320986697850425
Energy: 1.3318489879260982
Energy: 1.320165486115525
Energy: 1.3212983287816993
Energy: 1.3965085994656812
Energy: 1.3335836913532748
Energy: 1.328958979578048
Energy: 1.3463302631322824
Energy: 1.3396091006935003
Energy: 1.3393847087098967
Energy: 1.3373296796594756
Energy: 1.32060770709346
Energy: 1.3194001774735875
Energy: 1.3181395585674502
Energy: 1.333930579488487
Energy: 1.332612583668352
Energy: 1.3338646776283845
Energy: 1.3252558305360873
Energy: 1.3320872817232983
Energy: 1.3204991350667163
Energy: 1.318356488451898
Energy: 1.3194273662210467
Energy: 1.3416853131708102
Energy: 1.3373129542583762
Energy: 1.370406546350121
Energy: 1.3307918962817573
Energy: 1.3201909168761172
Energy: 1.373569251758355
Energy: 1.390945417786123
Energy: 1.3194828100369032
Energy: 1.327559492039728
Energy: 1.333961010943013
Energy: 1.3423286156966383
Energy: 1.332958318839594
Energy: 1.3333426013982115
Energy: 1.319119164337547
Energy: 1.3726671953833447
Energy: 1.321445246687901
Energy: 1.3368442128008258
Energy: 1.3917941500552977
Energy: 1.3196866988734794
Energy: 1.3343020002274164
Energy: 1.3669755884253794
Energy: 1.3432321576348165
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Energy: 1.3211519414028752
Energy: 1.3307759086003224
Energy: 1.3884649008139593
Energy: 1.389050368596626
Energy: 1.3915666327190601
Energy: 1.4496489243849155
Energy: 1.3954527305373037
Energy: 1.3928800565222557
Energy: 1.47472927321559
Energy: 1.336731041254415
Energy: 1.3912826803005942
Energy: 1.3172693827783801
Energy: 1.349627353402643
Energy: 1.393752004342369
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Energy: 1.3912765831574425
Energy: 1.407381110523939
Energy: 1.4404289897235762
Energy: 1.3254800380698928
Energy: 1.4487731705231657
Energy: 1.4076637001864574
Energy: 1.4493730735668073
Energy: 1.4501914338645592
Energy: 1.4075969025433124
Energy: 1.3202542030996898
Energy: 1.3360098436490133
Energy: 1.4081192509279852
Energy: 1.3215576851514026
Energy: 1.3348322672062676
Energy: 1.5239491719596363
Energy: 1.4103829202124147
Energy: 1.3923663800700659
Energy: 1.3891169721273569
Energy: 1.3882405922021028
Energy: 1.4485651883173964
Energy: 1.4552734975923303
Energy: 1.3966511303051152
Energy: 1.3227955987216475
Energy: 1.3299953261989987
Energy: 1.4056983177421036
Energy: 1.3904697115759834
Energy: 1.388292230724429
Energy: 1.343990895073238
Energy: 1.3940071821974915
Energy: 1.4353492497188787
Energy: 1.4623229519944936
Energy: 1.3880221044906114
Energy: 1.6429968407376165
Energy: 1.4912000001194055
Energy: 1.4364279203458363
Energy: 1.4057466043928966
Energy: 1.4864536373694537
Energy: 1.4321606960432332
Energy: 1.4371177191882403
Energy: 1.387321774324108
Energy: 1.3324801755810503
Energy: 1.3220216079227012
Energy: 1.4110414338927408
Energy: 1.377254963308002
Energy: 1.3933874897309704
Energy: 1.3952132317390307
Energy: 1.336338982305167
Energy: 1.5178866377395706
Energy: 1.4063298696844295
Energy: 1.4879825552010533
Energy: 1.3886542007048812
Energy: 1.4082941434343799
Energy: 1.407625492409891
Energy: 1.3365910186506167
Energy: 1.333079510818658
Energy: 1.3907663558162247
Energy: 1.3892651231964306
Energy: 1.3341617229530396
Energy: 1.340679279037106
Energy: 1.321321024345497
Energy: 1.492838582561216
Energy: 1.486694857680725
Energy: 1.4886238812830492
Energy: 1.5180119008453028
Energy: 1.3887616134163425
Energy: 1.3877374343118942
Energy: 1.388418701912387
Energy: 1.3179775343877893
Energy: 1.3362514445924263
Energy: 1.321344195237508
Energy: 1.3377933979280818
Energy: 1.336175165384337
Energy: 1.3915164483263072
Energy: 1.3347678805406642
Energy: 1.3948273020044397
Energy: 1.3219929739501104
Energy: 1.3363755146411265
Energy: 1.3225639478816016
Energy: 1.3213135639749534
Energy: 1.3295031876447148
Energy: 1.3358819390445207
Energy: 1.3324977477009377
Energy: 1.3379781906727892
Energy: 1.3433563628922691
Energy: 1.3327336632118694
Energy: 1.32235754083229
Energy: 1.3182376865295207
Energy: 1.334586260454435
Energy: 1.3430905622151204
Energy: 1.335318104586765
Energy: 1.3238679030119456
Energy: 1.3373631061098656
Energy: 1.3424119225509286
Energy: 1.3361780125834137
Energy: 1.3362921514254165
Energy: 1.3380409665278308
Energy: 1.3366925786723896
Energy: 1.3297364735840098
Energy: 1.3298721447828628
Energy: 1.3193745489342628
Energy: 1.3334115109147386
Energy: 1.3322088363589493
Energy: 1.3212620603984155
Energy: 1.317949716266289
Energy: 1.3183010752171618
Energy: 1.343486656304253
Energy: 1.3319815416404392
Energy: 1.3354696864005673
Energy: 1.3303029282189636
Energy: 1.3756640639980686
Energy: 1.3195740227821342
Energy: 1.3888607447697567
Energy: 1.319031102336911
Energy: 1.326959455508024
Energy: 1.3365721611498735
Energy: 1.3713179193116865
Energy: 1.3404202736749087
Energy: 1.341338194611081
Energy: 1.3400367249555352
Energy: 1.3339162575959296
Energy: 1.3221579082877288
Energy: 1.3351325201684885
Energy: 1.3191190058532734
Energy: 1.3196550557580136
Energy: 1.3918844080799895
Energy: 1.4506747640569844
Energy: 1.3937916680011944
Energy: 1.393667447342476
Energy: 1.4727418729747026
Energy: 1.3370496258048816
Energy: 1.3331867064039218
Energy: 1.3329923010643219
Energy: 1.387813279463801
Energy: 1.3893543031696318
Energy: 1.392113650471805
Energy: 1.4177662180827244
Energy: 1.52215937350601
Energy: 1.408683804112034
Energy: 1.3255824569039936
Energy: 1.448562341427437
Energy: 1.4328672924438424
Energy: 1.321799216336178
Energy: 1.3445427193889492
Energy: 1.392758193333983
Energy: 1.3360587028202322
Energy: 1.3290032376875929
Energy: 1.4084425508245475
Energy: 1.319542107910014
Energy: 1.3351162085877015
Energy: 1.5275046361253264
Energy: 1.4094771817651925
Energy: 1.4501704431704554
Energy: 1.4511840060538141
Energy: 1.4085109523289479
Energy: 1.3194373784111435
Energy: 1.488762916562792
Energy: 1.4008064673834582
Energy: 1.3234793644681815
Energy: 1.3315056233753488
Energy: 1.6430599430191746
Energy: 1.4098338238306283
Energy: 1.392655866322515
Energy: 1.4641105421979947
Energy: 1.3888152371609033
Energy: 1.4514445760912142

minimum gb energy = 1.3172693827783801 eV
minimum distance =  2.31885818625019 Angstroms
sigma value = 75


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

Energy: 1.387971089821293
Energy: 1.4061370890747007
Energy: 1.4754785322555382
Energy: 1.3582617204873324
Energy: 1.418529045122028
Energy: 1.415249151790165
Energy: 1.3647597606678017
Energy: 1.3617450512623048
Energy: 1.3877724779695066
Energy: 1.3540015270868182
Energy: 1.3701666416215275
Energy: 1.4004246234019566
Energy: 1.4132825897081343
Energy: 1.3893639122319934
Energy: 1.3849886942028478
Energy: 1.4025236906969614
Energy: 1.36039943487282
Energy: 1.3645251891043992
Energy: 1.3693274969512264
Energy: 1.3407888928627223
Energy: 1.4635520230577426
Energy: 1.3631922536802796
Energy: 1.3612807025558291
Energy: 1.3571440101802061
Energy: 1.387889936137831
Energy: 1.4402680936160914
Energy: 1.3911459508831046
Energy: 1.3752658561742068
Energy: 1.4408039336363023
Energy: 1.4415740125122647
Energy: 1.4170723942415833
Energy: 1.384663168396679
Energy: 1.3864731944296662
Energy: 1.3843936179448277
Energy: 1.360610986371609
Energy: 1.3847759794077408
Energy: 1.3654796078082747
Energy: 1.4519530585150218
Energy: 1.3616968074676128
Energy: 1.3985937269736874
Energy: 1.4696321310799012
Energy: 1.3624433890251724
Energy: 1.361771561445864
Energy: 1.3863045883196745
Energy: 1.3616582534926047
Energy: 1.3689919354623494
Energy: 1.363021504644653
Energy: 1.3858079245863582
Energy: 1.3865319415710977
Energy: 1.3602987970902927
Energy: 1.367837891129282
Energy: 1.3740631921143016
Energy: 1.3623240824729574
Energy: 1.3607909111785677
Energy: 1.3852232662543895
Energy: 1.3604019041693205
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Energy: 1.3709017045462806
Energy: 1.3801398510231486
Energy: 1.3692930686805629
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Energy: 1.3694635717398689
Energy: 1.3857265691898732
Energy: 1.422681707331191
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Energy: 1.3701334647016479
Energy: 1.359733470542842
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Energy: 1.4137221897693142
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Energy: 1.4002784366654564
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Energy: 1.43260548247608
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Energy: 1.3619440013304873
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Energy: 1.4139713876893694
Energy: 1.3757852995949922
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Energy: 1.3416716631173735
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Energy: 1.449808701501911
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Energy: 1.4466747007499938
Energy: 1.4335284307113547
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Energy: 1.487156938593048
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Energy: 1.3805779720183728
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Energy: 1.3721301849201013
Energy: 1.4415131098950795
Energy: 1.3799164249731757
Energy: 1.3488318456633062
Energy: 1.381858346380357
Energy: 1.4263832676165882
Energy: 1.380824355912275
Energy: 1.3804429207531412
Energy: 1.3765799237766283
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Energy: 1.3769235121637398
Energy: 1.3741905340392437
Energy: 1.3641696853346215
Energy: 1.3417373499481522
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Energy: 1.3777190666847283
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Energy: 1.378220611991953
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Energy: 1.3968406557877406
Energy: 1.397574881081156
Energy: 1.3646033888088882
Energy: 1.397693489587969
Energy: 1.376561253424185
Energy: 1.377717426739751
Energy: 1.3803589070867424
Energy: 1.5207825708600993
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Energy: 1.393528086087655
Energy: 1.3715189312455998
Energy: 1.3725664252443255
Energy: 1.385944957581422
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Energy: 1.379506952294236
Energy: 1.382076550251951
Energy: 1.3798236284235843
Energy: 1.379176190108279
Energy: 1.374870991597654
Energy: 1.3702901135000816
Energy: 1.3702266542644252
Energy: 1.3969393445034322
Energy: 1.371487297668043
Energy: 1.3563947641317418
Energy: 1.392251317922647
Energy: 1.4010454717756118
Energy: 1.3712178923151388
Energy: 1.3714231197901339
Energy: 1.370699993309445
Energy: 1.3447296604821388
Energy: 1.3708897993804752
Energy: 1.3236489132754954
Energy: 1.3780571046996972
Energy: 1.370524378791504
Energy: 1.371445369570418
Energy: 1.369339334632632
Energy: 1.370037090930757
Energy: 1.3703083677685464
Energy: 1.3771170340652032
Energy: 1.467315476026344
Energy: 1.4524113068937614
Energy: 1.3688041810109597
Energy: 1.370143724192517
Energy: 1.373425805531001
Energy: 1.3755279767081081
Energy: 1.3833164062328207
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Energy: 1.3786473461573099
Energy: 1.519925452330452
Energy: 1.416088419249148
Energy: 1.401694863480704
Energy: 1.3697439500806166
Energy: 1.3311792571422716
Energy: 1.432878037478456
Energy: 1.4336763065935882
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Energy: 1.3868763540459408
Energy: 1.5016510944381711
Energy: 1.3796188054845393
Energy: 1.3429621614139784
Energy: 1.3619169809681035
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minimum gb energy = 1.3189639577124053 eV
minimum distance =  2.31301534327121 Angstroms
sigma value = 105


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

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Energy: 1.4082566609486533
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Energy: 1.4540292943892967
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Energy: 1.4881202156107143
Energy: 1.4566606863961498
Energy: 1.4266301019873637
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Energy: 1.40852346795005
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Energy: 1.4496527373181372
Energy: 1.4709082849782302
Energy: 1.4943877858120966
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Energy: 1.4863027576341243
Energy: 1.4648142198837983
Energy: 1.4375303797683958
Energy: 1.430917666134404
Energy: 1.4081644443712749
Energy: 1.4079755865388701
Energy: 1.4642546339142606
Energy: 1.408543525891736
Energy: 1.470004031626
Energy: 1.4243689717679653
Energy: 1.4912801173782715
Energy: 1.413890971113647
Energy: 1.4342281997872157
Energy: 1.4759661942690234
Energy: 1.4177227413664701
Energy: 1.4362482521560391
Energy: 1.435912597597811
Energy: 1.4306189091967632
Energy: 1.4359494327254096
Energy: 1.4502694872228497
Energy: 1.4377656823302853
Energy: 1.436799013263221
Energy: 1.4349674234739114
Energy: 1.4720786179875065
Energy: 1.4317236521954684
Energy: 1.4292600155592616
Energy: 1.4222084919775353
Energy: 1.4328279311021974
Energy: 1.4301557944644683
Energy: 1.4352549539489534
Energy: 1.4320579244587708
Energy: 1.4319944949422838
Energy: 1.4330292034000156
Energy: 1.4318208908125716
Energy: 1.4299935612845895
Energy: 1.4322749677376794
Energy: 1.4072627446163855
Energy: 1.5202453002661838
Energy: 1.4300732326625287
Energy: 1.450950601376954
Energy: 1.4357020890940133
Energy: 1.4274786321638975
Energy: 1.4333410043362849
Energy: 1.4349816137056035
Energy: 1.4353186958863515
Energy: 1.431773912491011
Energy: 1.5393625204379269
Energy: 1.3908925193536075
Energy: 1.4794492646561275
Energy: 1.4272310145904195
Energy: 1.4256848721753206
Energy: 1.4307456010919568
Energy: 1.4320269774776182
Energy: 1.429548645591015
Energy: 1.481126171327172
Energy: 1.4533659484191
Energy: 1.4148762772577086
Energy: 1.4166891862714712
Energy: 1.4080544744691472
Energy: 1.5130957961697902
Energy: 1.4583909639165518
Energy: 1.4140570201286715
Energy: 1.5222946096398835
Energy: 1.4769909239766867
Energy: 1.4475771317973931
Energy: 1.42278675713623
Energy: 1.4089457592933643
Energy: 1.408502265044548
Energy: 1.4412044078002773
Energy: 1.4047367662473684
Energy: 1.4100342608202936
Energy: 1.410392064286648
Energy: 1.4441568466113812
Energy: 1.4994104328029505

minimum gb energy = 1.360104009225837 eV
minimum distance =  2.30102705073071 Angstroms
sigma value = 165


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

Energy: 1.6058444415405055
Energy: 1.4750384643714556
Energy: 1.4341255957330319
Energy: 1.4469935589037979
Energy: 1.4644086489767656
Energy: 1.4445366785031901
Energy: 1.4435249895863693
Energy: 1.4326129760877575
Energy: 1.4348418898362818
Energy: 1.4270391780934668
Energy: 1.446444007513343
Energy: 1.4320097323057241
Energy: 1.4616653685090004
Energy: 1.5660145928300098
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Energy: 1.4353154139928914
Energy: 1.4322650619178197
Energy: 1.4434830864923023
Energy: 1.44482319902662
Energy: 1.4615249387037341
Energy: 1.4463465738907824
Energy: 1.4340409079104963
Energy: 1.4668748469421824
Energy: 1.5359218490061834
Energy: 1.4450858671241305
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Energy: 1.4605726100975918
Energy: 1.447542201807688
Energy: 1.5364856290374254
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Energy: 1.4447512873024109
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Energy: 1.4330034174955895
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Energy: 1.4446631423875291
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Energy: 1.56801816819343
Energy: 1.56814373296251
Energy: 1.4576788875849434
Energy: 1.4671100731780664
Energy: 1.4448737901433981
Energy: 1.4624178390077613
Energy: 1.445254035551853
Energy: 1.4486813839785158
Energy: 1.4659980993448765
Energy: 1.4463795727893347
Energy: 1.4446323659437177
Energy: 1.4880274939769764
Energy: 1.4400402394388345
Energy: 1.4446380014053446
Energy: 1.4451205196403023
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Energy: 1.4625542399959057
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Energy: 1.4642877288933842
Energy: 1.4468651484483455
Energy: 1.4441276982832543
Energy: 1.461763060760641
Energy: 1.4639616867870149
Energy: 1.4448333020707806
Energy: 1.4658744430448134
Energy: 1.434978480136614
Energy: 1.433143434677043
Energy: 1.4468691084105654
Energy: 1.4447486476858662
Energy: 1.4618662612058693
Energy: 1.4630424825717057
Energy: 1.4457218240347163
Energy: 1.4466190706122615
Energy: 1.4355229093005815
Energy: 1.4652716410921238
Energy: 1.433075646149392
Energy: 1.460954507817335
Energy: 1.4464993130841253
Energy: 1.4448807901455487
Energy: 1.4457558825938488
Energy: 1.4633984579665724
Energy: 1.431921308550499
Energy: 1.4355287793673766
Energy: 1.4325476621709008
Energy: 1.46897577764347
Energy: 1.4445554460028283
Energy: 1.4455211955796756
Energy: 1.427254509255162
Energy: 1.4463642767277822
Energy: 1.4442752496089013
Energy: 1.4681561978478017
Energy: 1.4441487601862162
Energy: 1.444830062455299
Energy: 1.4457587932194134
Energy: 1.4284878717405678
Energy: 1.4653289015760629
Energy: 1.4341556673493163
Energy: 1.4350393720835817
Energy: 1.4467264954601264
Energy: 1.4634329855044188
Energy: 1.4294541816796336
Energy: 1.431549184967294
Energy: 1.4618210670670744
Energy: 1.5293539263636784

minimum gb energy = 1.4255960382568473 eV
minimum distance =  2.285160125115 Angstroms
sigma value = 41


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

Energy: 3.359476172792234
Energy: 1.1502899096361416
Energy: 1.125539687831714
Energy: 1.124522856516525
Energy: 1.1268449358092416
Energy: 1.145578910875457
Energy: 1.4235211231499794
Energy: 1.1845525590115302
Energy: 1.1861141677259615
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Energy: 1.124294747850385
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Energy: 1.1048654977086454
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Energy: 1.10605454563214
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Energy: 1.1061533977213138
Energy: 1.0999047320730015
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Energy: 1.1052372969312305
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Energy: 1.0992985994611955
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Energy: 1.121233797191037
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Energy: 1.0990511646544794
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Energy: 1.1016179527423704
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Energy: 1.1853491750917264
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Energy: 1.1520998621945318
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Energy: 1.1030410767415715
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Energy: 1.0838600934177605
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Energy: 1.1017308630491545
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Energy: 1.1340539395678355
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Energy: 1.1436513517245273
Energy: 1.099523675448882
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Energy: 1.1248685780338672
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Energy: 1.1237307957656815
Energy: 1.1258038208141536
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Energy: 1.1817252353723118
Energy: 1.1848304549923891
Energy: 1.101510607122547
Energy: 1.0994623441939808
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Energy: 1.100729977042282
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Energy: 1.099425698716445
Energy: 1.1230058993301688
Energy: 1.0986132650515903
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Energy: 1.1242607217443146
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Energy: 1.1418394201778248
Energy: 1.0854421376961665
Energy: 1.1038298476372352
Energy: 1.0825211195305953
Energy: 1.0858322484039071
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Energy: 1.106983391452707
Energy: 1.1244780563225334
Energy: 1.1312530537414638
Energy: 1.1433289421928319
Energy: 1.1862189670938017
Energy: 1.1842733502457012
Energy: 1.1044115830868992
Energy: 1.124685194800671
Energy: 1.085351385087162
Energy: 1.1047405030630677
Energy: 1.1496068098723304
Energy: 1.2043794425844319
Energy: 1.1844863124442433
Energy: 1.146223114899899
Energy: 1.1504803901888514
Energy: 1.143224566610155
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Energy: 1.119221448490478
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Energy: 1.1245157596470245
Energy: 1.1423435513755766
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Energy: 1.1034962498716905
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Energy: 1.1276584291959073
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Energy: 1.1020748763947597
Energy: 1.1331359071404123
Energy: 1.098952673568177
Energy: 1.1822940464456704
Energy: 1.180796640788693
Energy: 1.0974393486455298
Energy: 1.1055732584882212
Energy: 1.1266477063875604
Energy: 1.0991743291890643
Energy: 1.1027172038841333
Energy: 1.1069721585842673
Energy: 1.104213203835361
Energy: 1.1019698624380998
Energy: 1.1034536354270055
Energy: 1.0862387390248223
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Energy: 1.1249735932386318
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Energy: 1.100853658417086
Energy: 1.1215223885924444
Energy: 1.0974923053904708
Energy: 1.1077391610857554
Energy: 1.1047577324324787
Energy: 1.1087201881591826
Energy: 1.085546389899455
Energy: 1.0870329142214716
Energy: 1.1466025239250928
Energy: 1.0848469662408458
Energy: 1.0861926036840435
Energy: 1.1238475027850117
Energy: 1.1409555706191057
Energy: 1.1605973869453454
Energy: 1.1239563207817744
Energy: 1.1030744105913852
Energy: 1.1828865879080048
Energy: 1.1425163000177847
Energy: 1.144670121290693
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Energy: 1.0795866915083345
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Energy: 1.1056985428743558
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Energy: 1.1031522854241473
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Energy: 1.0792373290017916
Energy: 1.1050015408406868
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Energy: 1.1513913542957122
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Energy: 1.0999044320071725
Energy: 1.1288782489169977
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Energy: 1.102839801333433
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Energy: 1.1822036666020561
Energy: 1.1030490045936774
Energy: 1.099173415125973
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Energy: 1.1009726788562773
Energy: 1.1264907224482
Energy: 1.1023572418843057
Energy: 1.099733223249635
Energy: 1.1256736873892383
Energy: 1.1056624967183564
Energy: 1.0864334673313276
Energy: 1.1029310548715678
Energy: 1.1421470400999718
Energy: 1.124736321589096
Energy: 1.1249617425800087
Energy: 1.124269977507505
Energy: 1.1257617601574
Energy: 1.1022076642372012
Energy: 1.1227154982280536
Energy: 1.142289326542016
Energy: 1.1834062347427603
Energy: 1.1849041831416562
Energy: 1.1048613019543985
Energy: 1.0860756832246488
Energy: 1.1650549060608864
Energy: 1.1035485315895737
Energy: 1.134087536377167
Energy: 1.1192946386413674
Energy: 1.143726770005424
Energy: 1.141308753099663
Energy: 1.1813031181077853
Energy: 1.1054942778379389
Energy: 1.1233945014859035
Energy: 1.0836323149324396
Energy: 1.143840519519849
Energy: 1.1240324927768135
Energy: 1.1270708753862364
Energy: 1.125630044454034
Energy: 1.106086323621136
Energy: 1.151535337853287
Energy: 1.1425272782085933
Energy: 1.109614548556652
Energy: 1.1032567838835075
Energy: 1.0991602189392637
Energy: 1.1029798976488845
Energy: 1.1047955789301978
Energy: 1.1009287796875078
Energy: 1.1235855225780973
Energy: 1.1031391430035358
Energy: 1.1432296067713301
Energy: 1.183682283116747
Energy: 1.104986709667192
Energy: 1.1025335480699114
Energy: 1.1003410042173092
Energy: 1.0956678542853218
Energy: 1.105555382643838
Energy: 1.0985137323330905
Energy: 1.1259997928486725
Energy: 1.1038172959492691
Energy: 1.0992021858470904
Energy: 1.180465795521954
Energy: 1.1846490219053167
Energy: 1.100458011462754
Energy: 1.1242466581988357
Energy: 1.125248283808665
Energy: 1.1058262337869367
Energy: 1.1240035231760437
Energy: 1.0999863760729074
Energy: 1.103028611624992
Energy: 1.1028920787548284
Energy: 1.1025205387197892
Energy: 1.0852392064422185
Energy: 1.0842366324550707
Energy: 1.1250049695863207
Energy: 1.1028824244295568
Energy: 1.0853519661670443
Energy: 1.1244943112353274
Energy: 1.1017809245884898
Energy: 1.1252061578944341
Energy: 1.1025632436643333
Energy: 1.1200764357767534
Energy: 1.082145958864961
Energy: 1.0885808106700767
Energy: 1.1476880364839077
Energy: 1.143148365655215

minimum gb energy = 1.0792373290017916 eV
minimum distance =  2.31474051624054 Angstroms
sigma value = 185


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

Energy: 3.342178326436706
Energy: 1.5148289774309314
Energy: 1.511522235593547
Energy: 1.5095921587854133
Energy: 1.535925339179757
Energy: 1.5464389583136184
Energy: 1.5408588476644312
Energy: 1.5384234789948894
Energy: 1.5835770181403095
Energy: 1.5633438387590572
Energy: 1.5302604460639977
Energy: 1.5413603741096744
Energy: 1.5288281358796458
Energy: 1.6020399475986278
Energy: 1.6020923217288263
Energy: 1.5384628131184412
Energy: 1.5442825847237764
Energy: 1.5394588071490978
Energy: 1.5371758578221861
Energy: 1.57774940149849
Energy: 1.5786748706015121
Energy: 1.499514022160071
Energy: 1.5582675829992256
Energy: 1.571274662715479
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Energy: 1.5334099961806449
Energy: 1.5990438640276425
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Energy: 1.5837568295420152
Energy: 1.5640934270018145
Energy: 1.6227302664245034
Energy: 1.5987944700726766
Energy: 1.6035719571991955
Energy: 1.5713046261860073
Energy: 1.5284063575762061
Energy: 1.5358545428174246
Energy: 1.5299085711178841
Energy: 1.4940049330557754
Energy: 1.576552847028482
Energy: 1.599475394795321
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Energy: 1.5849526491895722
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Energy: 1.600593061712456
Energy: 1.6022662185697762
Energy: 1.5891334112448756
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Energy: 1.5622872555702767
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Energy: 1.6071033781294766
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Energy: 1.6354225552806303
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Energy: 1.5334530347781612
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Energy: 1.6432095330465017
Energy: 1.6021289451000957
Energy: 1.6214211167961377
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Energy: 1.5474819779504443
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Energy: 1.5121715175181325
Energy: 1.4981920550906347
Energy: 1.6039577108095793
Energy: 1.5749553202132494
Energy: 1.6133951645621263
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Energy: 1.6300367983227595
Energy: 1.6076108589171576
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Energy: 1.6086994697873778
Energy: 1.5574597426609242
Energy: 1.568165831024023
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Energy: 1.6124715681405124
Energy: 1.5782140716841138
Energy: 1.614497881211407
Energy: 1.6024124624554834
Energy: 1.6101775344027736
Energy: 1.639985027339397
Energy: 1.5920194232121594
Energy: 1.5514927169571637
Energy: 1.5628189461065054
Energy: 1.5427900825790077
Energy: 1.5697288724543101
Energy: 1.5875283795529422
Energy: 1.6111302622124024
Energy: 1.6307656749389343
Energy: 1.59345148499395
Energy: 1.6816704936500906
Energy: 1.6066696799015292
Energy: 1.6166632330104376
Energy: 1.6612872287687963
Energy: 1.527803431104539
Energy: 1.521714493222756
Energy: 1.5361100173895164
Energy: 1.5306707401292419
Energy: 1.5747517944961227
Energy: 1.5116212899833208
Energy: 1.5638416327270568
Energy: 1.5629378644220406
Energy: 1.590320766490014
Energy: 1.5139364000388775
Energy: 1.527708750142102
Energy: 1.5924930747964012
Energy: 1.5797249817940615
Energy: 1.5420223362761942
Energy: 1.5998341383461991
Energy: 1.616015487837347
Energy: 1.5697443199390937
Energy: 1.5638815300766595
Energy: 1.5597511155244017
Energy: 1.5339316315698868
Energy: 1.5755237906760462
Energy: 1.565752324053142
Energy: 1.5407738963483413
Energy: 1.5746963311847473
Energy: 1.5578799667488774
Energy: 1.616935483896138
Energy: 1.5351602845409584
Energy: 1.5735936633941336
Energy: 1.6105621316047485
Energy: 1.611905953703047
Energy: 1.6089021671183843
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Energy: 1.5693793154937195
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Energy: 1.629473013510088
Energy: 1.5804201832607765
Energy: 1.5639099426245615
Energy: 1.609591203711016
Energy: 1.5000826227572577
Energy: 1.5481704307457247
Energy: 1.6064037905190327
Energy: 1.610031189985275
Energy: 1.607845323682845
Energy: 1.583329355577298
Energy: 1.5328753674061735
Energy: 1.6079501741977578
Energy: 1.6062466257630024
Energy: 1.5699543708404156
Energy: 1.55051658198985
Energy: 1.504252695963777
Energy: 1.5313059834709097
Energy: 1.5735165744332282
Energy: 1.6225190664494604
Energy: 1.6101680786083652
Energy: 1.5705726553565238
Energy: 1.5580069813404245
Energy: 1.6018261302156547
Energy: 1.6175904914466273
Energy: 1.6356033100998641
Energy: 1.5194308850440161
Energy: 1.5039116515779851
Energy: 1.6106578809433254
Energy: 1.6420616592321795
Energy: 1.612784621637495
Energy: 1.5625499149340325
Energy: 1.5957468781072401
Energy: 1.6000902533649355
Energy: 1.6018067058541463
Energy: 1.5024479055962696
Energy: 1.5242595164022015
Energy: 1.5565665619718891
Energy: 1.6083380585121378
Energy: 1.5997106171692328
Energy: 1.5361517526585218
Energy: 1.5525013104577923
Energy: 1.6097774412744936
Energy: 1.5592494274066253
Energy: 1.5149393424476811
Energy: 1.568789080637833
Energy: 1.5159210522368498
Energy: 1.5527078485339199
Energy: 1.5848554612976407
Energy: 1.5898769187258828
Energy: 1.504187729314601
Energy: 1.589362340384597
Energy: 1.595915744410522
Energy: 1.5703485147401113
Energy: 1.555104642087844
Energy: 1.6051994275881545
Energy: 1.5767835497945357
Energy: 1.6085324634060494
Energy: 1.6147039648434864
Energy: 1.6163372677659313
Energy: 1.5865965649093912
Energy: 1.5378987101352806
Energy: 1.6055395387257145
Energy: 1.5792769893209067
Energy: 1.601779875795797
Energy: 1.5698900294706644
Energy: 1.5164953959932412
Energy: 1.5736244414915916
Energy: 1.6060927965226408
Energy: 1.60755787616437
Energy: 1.5861306779887565
Energy: 1.60598396229109
Energy: 1.6153492208160332
Energy: 1.6618834208256184
Energy: 1.5478648714070098
Energy: 1.5333029924590278
Energy: 1.5697357448608553
Energy: 1.5826237355362998
Energy: 1.6006871224192818
Energy: 1.624159700291596
Energy: 1.6522555162451547
Energy: 1.5892973466752915
Energy: 1.586184212741976
Energy: 1.5497440997270182
Energy: 1.5224530290550404
Energy: 1.5923630246919578
Energy: 1.5996746771916526
Energy: 1.5294726998104526
Energy: 1.5371219157589044
Energy: 1.5150034148435265
Energy: 1.596514554214614
Energy: 1.5912152212821151
Energy: 1.5307146216479952
Energy: 1.590126158485448
Energy: 1.5365080375573175
Energy: 1.5669671181871023
Energy: 1.5129248164488487
Energy: 1.604010184152379
Energy: 1.6013522267986184
Energy: 1.6101936339453813
Energy: 1.569059146313228
Energy: 1.5998028487588065
Energy: 1.61848002792682
Energy: 1.6109483555997905
Energy: 1.6120677491412616
Energy: 1.529709388426704
Energy: 1.6175620671057755
Energy: 1.6006131305707991
Energy: 1.5842768781373202
Energy: 1.5430937104927054
Energy: 1.531502322438896
Energy: 1.5256261785206944
Energy: 1.5698865691721484
Energy: 1.5729398010674507
Energy: 1.5760985917819166
Energy: 1.6096546559623321
Energy: 1.57948759327578
Energy: 1.6114517952728398
Energy: 1.5932138602994406
Energy: 1.5794859276390198
Energy: 1.540581492326453
Energy: 1.612514157337057
Energy: 1.5369042159997086
Energy: 1.5243088223149355
Energy: 1.5423468581953237
Energy: 1.5297516976698653
Energy: 1.61695063801663
Energy: 1.6006139615468549
Energy: 1.6405083413268204
Energy: 1.6068149051678489
Energy: 1.6359396673995639
Energy: 1.6204155138621108
Energy: 1.592498933885722
Energy: 1.6378187629686005
Energy: 1.521838136044432
Energy: 1.511465225974487
Energy: 1.5352278422885484
Energy: 1.5722868858219923
Energy: 1.5276188834142408
Energy: 1.5623455512843833
Energy: 1.6006545775565801
Energy: 1.5565690003909882
Energy: 1.5012491068388347
Energy: 1.5387642090883107
Energy: 1.507576013802557
Energy: 1.5883105458634827
Energy: 1.5993819215402452
Energy: 1.5358787080155596
Energy: 1.5011483667902703
Energy: 1.5290748937249097
Energy: 1.5584120197140903
Energy: 1.5840045514937289
Energy: 1.5587288830505093
Energy: 1.5010004935289898
Energy: 1.5158342129618956
Energy: 1.5287706386980706
Energy: 1.4984603058949124
Energy: 1.526913370747973
Energy: 1.5637592366371809
Energy: 1.600078734095282
Energy: 1.5819402738012012
Energy: 1.6057691672500045
Energy: 1.6003088424513843
Energy: 1.6014403687152627
Energy: 1.5707494194670637
Energy: 1.5835351654948564
Energy: 1.5708983796361422
Energy: 1.539753837108433
Energy: 1.5417143329913403
Energy: 1.5297059342965842
Energy: 1.555536282642644
Energy: 1.5762375331903786
Energy: 1.563330337469383
Energy: 1.5343612408884195
Energy: 1.5063305184676947
Energy: 1.6009125963254505
Energy: 1.588988800691779
Energy: 1.6057711638514969
Energy: 1.5382117094083072
Energy: 1.5693523848429438
Energy: 1.5489146499029394
Energy: 1.5359535501348698
Energy: 1.52890696611678
Energy: 1.5429016580229975
Energy: 1.627078822972267
Energy: 1.5710624154433601
Energy: 1.6149147091125449
Energy: 1.5374132238586238
Energy: 1.606667577657862
Energy: 1.618565172844308
Energy: 1.5797778293983882

minimum gb energy = 1.4940049330557754 eV
minimum distance =  2.25357847980523 Angstroms
sigma value = 33


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

Energy: 1.4686135586576052
Energy: 1.4375991193486504
Energy: 1.4276325828380505
Energy: 1.4500080612588606
Energy: 1.4715717334259804
Energy: 1.5081474439384916
Energy: 1.5666286242611525
Energy: 1.527063827045545
Energy: 1.442095054735184
Energy: 1.4138953561882974
Energy: 1.4396622570396795
Energy: 1.5280481091350673
Energy: 1.5192939585954144
Energy: 1.5201717307418383
Energy: 1.519533379742088
Energy: 1.4582041449800291
Energy: 1.4391628514159773
Energy: 1.5835604756266701
Energy: 1.439828722487503
Energy: 1.4577596463760056
Energy: 1.4348099886124168
Energy: 1.493332997662579
Energy: 1.5421096233314229
Energy: 1.4411180628913498
Energy: 1.42618819001783
Energy: 1.437622858919523
Energy: 1.4389323248429988
Energy: 1.4390499002096102
Energy: 1.4387983519830194
Energy: 1.4387484447063414
Energy: 1.4405173091621062
Energy: 1.4378899871056343
Energy: 1.4653881805588342
Energy: 1.4425404995201792
Energy: 1.4332942392996555
Energy: 1.4366919181311464
Energy: 1.5663750264454583
Energy: 1.4394075745060693
Energy: 1.4394281574222296
Energy: 1.4392930415288765
Energy: 1.4385151359062416
Energy: 1.4575734916936613
Energy: 1.4398496302799508
Energy: 1.4352085264596508
Energy: 1.5075872137137707
Energy: 1.441810575308653
Energy: 1.5977726755298973
Energy: 1.5850041927199665
Energy: 1.4408574003740853
Energy: 1.4394272951236888
Energy: 1.4445747552437633
Energy: 1.452917676028752
Energy: 1.6349176527592082
Energy: 1.5490259201472791
Energy: 1.5970622445337792
Energy: 1.4389332577072873
Energy: 1.508499016984697
Energy: 1.4386687842279122
Energy: 1.4665148933592635
Energy: 1.4879309078305427
Energy: 1.5098799041482838
Energy: 1.513019583939556
Energy: 1.5044466832875913
Energy: 1.566552905392747
Energy: 1.4663588156676841
Energy: 1.4288251369847678
Energy: 1.4521569526740765
Energy: 1.4433372614260098
Energy: 1.4415686602358682
Energy: 1.5159707855621067
Energy: 1.5978164999605364
Energy: 1.518836729085133
Energy: 1.5297073514206976
Energy: 1.4380579634977382
Energy: 1.4303773692175135
Energy: 1.44561962425585
Energy: 1.430524946184387
Energy: 1.4432751655252503
Energy: 1.4399653307871643
Energy: 1.4442014974462853
Energy: 1.5979372760607466
Energy: 1.5538627681769355
Energy: 1.449029361897605
Energy: 1.431204470412246
Energy: 1.425802891504222
Energy: 1.4300848201011072
Energy: 1.4301473084583123
Energy: 1.4301217131293713
Energy: 1.4429197936850693
Energy: 1.4300269233202385
Energy: 1.422270894728763
Energy: 1.4764305350947264
Energy: 1.467635987123932
Energy: 1.462521825324592
Energy: 1.4518658188874085
Energy: 1.43960173735625
Energy: 1.4435031787347468
Energy: 1.4292234003479998
Energy: 1.4727602976280307
Energy: 1.4688445381183013
Energy: 1.59823364763705
Energy: 1.5522026261881787
Energy: 1.4278934981231426
Energy: 1.5605537796833235
Energy: 1.5687398364495626
Energy: 1.4422388147087153
Energy: 1.6234488258943325
Energy: 1.5221295285693073
Energy: 1.56166241036538
Energy: 1.6433493356625697
Energy: 1.472059044872889
Energy: 1.4374080940019345
Energy: 1.4317430461447396
Energy: 1.42446288117041
Energy: 1.6496294208221876
Energy: 1.6179089181753228
Energy: 1.51961478160911
Energy: 1.5204387030683748
Energy: 1.4684218820971702
Energy: 1.4391061972622068
Energy: 1.439768950663586
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Energy: 1.4777829530916053
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Energy: 1.5472315479562078
Energy: 1.507642707767157
Energy: 1.4361046404209759
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Energy: 1.43987825573962
Energy: 1.4363234809953522
Energy: 1.4384491771416603
Energy: 1.4253724244453057
Energy: 1.5269255685455652
Energy: 1.6159978719700305
Energy: 1.571678984394
Energy: 1.4405063429394962
Energy: 1.4390790587090525
Energy: 1.442644222563449
Energy: 1.439959337542191
Energy: 1.4497592122544536
Energy: 1.4379809746815955
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Energy: 1.433298168021815
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Energy: 1.4318426937828133
Energy: 1.6562105831116132
Energy: 1.5621393166181676
Energy: 1.4851855721927514
Energy: 1.4152156245524168

minimum gb energy = 1.3981836092528677 eV
minimum distance =  2.31862766533255 Angstroms
sigma value = 219


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

Energy: 2.8415092210835087
Energy: 1.2009846930648407
Energy: 1.1893704036288415
Energy: 1.2694425645553782
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Energy: 1.1878858752537682
Energy: 1.1830607894013665
Energy: 1.206785688123891
Energy: 1.1790229800555292
Energy: 1.191457037675157
Energy: 1.241189499242526
Energy: 1.1995919919866291
Energy: 1.1989193649374457
Energy: 1.2692978726345527
Energy: 1.1306850199832847
Energy: 1.2425094199676565
Energy: 1.2404422072711276
Energy: 1.1985519584741924
Energy: 1.1879362539183858
Energy: 1.1918891295613188
Energy: 1.1290031702411563
Energy: 1.1309882494926646
Energy: 1.1974744345081458
Energy: 1.1876309379936973

minimum gb energy = 1.119313726224371 eV
minimum distance =  2.34405498892043 Angstroms
sigma value = 15


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

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Energy: 1.650705581646243
Energy: 1.655163835706888
Energy: 1.706092548153772
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Energy: 1.6688888852438752
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Energy: 1.7099167793341856
Energy: 1.6483253828029403
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Energy: 1.709154295777526
Energy: 1.6356149213159317
Energy: 1.7034414416943122
Energy: 1.6625551528295788
Energy: 1.6732442974950887
Energy: 1.6463448510213665
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minimum gb energy = 1.6013935277587186 eV
minimum distance =  2.27606615071375 Angstroms
sigma value = 293


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

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Energy: 1.656911545238313
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Energy: 1.629931592602989
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Energy: 1.5835310848051722
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Energy: 1.6092696411334995
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Energy: 1.591869013166405
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Energy: 1.6029250666535986
Energy: 1.6160977839173214
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Energy: 1.618266699886297
Energy: 1.665860668059107
Energy: 1.6832449864991343
Energy: 1.651086701145792
Energy: 1.684711099039691
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Energy: 1.7107108127077737
Energy: 1.775028575519095
Energy: 1.6508615773814757
Energy: 1.6620954651687072
Energy: 1.6656447678054147
Energy: 1.7101266352498201
Energy: 1.6804479421020728
Energy: 1.659892096908271
Energy: 1.6801140511037504
Energy: 1.6235287091633477
Energy: 1.7127339147224545
Energy: 1.7053495006259052
Energy: 1.6212318698631454
Energy: 1.671550309715005
Energy: 1.620478145415668
Energy: 1.7086053688637979
Energy: 1.6209178813839265
Energy: 1.6507055798294605
Energy: 1.6241293393629574
Energy: 1.6815147543462334
Energy: 1.648708738184975
Energy: 1.6361280457666956
Energy: 1.5034159998203824
Energy: 1.6439498314869199
Energy: 1.6543910600010776
Energy: 1.6657883267143134
Energy: 1.6634944508065332
Energy: 1.5948181451526047
Energy: 1.6153944100476056
Energy: 1.6206199807417923
Energy: 1.6708738692958895
Energy: 1.5842156064932122
Energy: 1.6125803874019318
Energy: 1.7161818637115414
Energy: 1.7239950950627436
Energy: 1.5940293605467266
Energy: 1.6458678565148188
Energy: 1.6833565143858649
Energy: 1.5804255719178408
Energy: 1.614051088834979
Energy: 1.586790577888627
Energy: 1.620130379013527
Energy: 1.6569123803798376
Energy: 1.645956968438726
Energy: 1.6279972750126968
Energy: 1.7054684728840073
Energy: 1.612176877633251
Energy: 1.613001784504602
Energy: 1.6174265280348017
Energy: 1.61743484439265
Energy: 1.5919107898060192
Energy: 1.5895296826566985
Energy: 1.6553175464381216
Energy: 1.659482984307699
Energy: 1.6261920701954045
Energy: 1.7135170330601288
Energy: 1.748598533911701
Energy: 1.6334283381546895
Energy: 1.6272499971581855
Energy: 1.6431497228425787
Energy: 1.5885416074280194
Energy: 1.6872085427413852
Energy: 1.6354440586957517
Energy: 1.5386760204233583
Energy: 1.6361058406745754
Energy: 1.6593173017122458
Energy: 1.6175065360051737

minimum gb energy = 1.5034159998203824 eV
minimum distance =  2.284128383835 Angstroms
sigma value = 293


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

Energy: 1.8726639211358616
Energy: 1.3162040037583809
Energy: 1.4688097390558188
Energy: 1.4802567642339566
Energy: 1.3160236513306713
Energy: 1.5044534059325145
Energy: 1.3244535193643936
Energy: 1.3272941967397114
Energy: 1.3189283321731577
Energy: 1.1704686493543057
Energy: 1.328151251902293
Energy: 1.3165883451590243
Energy: 1.4695633376002957
Energy: 1.2148147789447263
Energy: 1.3179863714113418
Energy: 1.3175779031298682
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Energy: 1.3297413763477286
Energy: 1.5163304996760414
Energy: 1.3148860817182013
Energy: 1.474837377989099
Energy: 1.5006152115908762
Energy: 1.3172354715508674
Energy: 1.3187365189101108
Energy: 1.47925952913683
Energy: 1.4721052873980762
Energy: 1.330321681307371
Energy: 1.325730964884814
Energy: 1.325399274227274
Energy: 1.317629535077038
Energy: 1.315050872822089
Energy: 1.166591032812823
Energy: 1.1645733765681965
Energy: 1.4759116052250179
Energy: 1.5001897660114996
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Energy: 1.3359611984660573
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Energy: 1.482158000231484
Energy: 1.4743480618143427
Energy: 1.479101502048514
Energy: 1.3157451128955024
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Energy: 1.4745084723409536
Energy: 1.3241754614618557
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Energy: 1.156151621627618
Energy: 1.3298797116557366
Energy: 1.3186633820840152
Energy: 1.1662965290908296
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Energy: 1.4703660162796193
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Energy: 1.3295798407391812
Energy: 1.5081373103129618
Energy: 1.3236493541004974
Energy: 1.3344098384903573
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Energy: 1.1636029563993584
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Energy: 1.305865196367612
Energy: 1.3169046853503317
Energy: 1.4827584487787968
Energy: 1.306264743663291
Energy: 1.3251454369099958
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Energy: 1.331818064069047
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Energy: 1.554454900985523
Energy: 1.3236254145682818
Energy: 1.3239922339362535
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Energy: 1.3258510546427151
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Energy: 1.3203467913919582
Energy: 1.17232053171998
Energy: 1.171169471810136
Energy: 1.3153592588729555
Energy: 1.4844435939141585
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Energy: 1.468362438712271
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Energy: 1.327192313037279
Energy: 1.5164767064802869
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Energy: 1.4704909022394654
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Energy: 1.3183925068738511
Energy: 1.3293921852280275
Energy: 1.1675726453382704
Energy: 1.323286873048904
Energy: 1.3159492660127559
Energy: 1.166720953942242
Energy: 1.1689485110209397
Energy: 1.473933729563962
Energy: 1.5060523909436514
Energy: 1.2104615678518384
Energy: 1.4748663776153736
Energy: 1.3248429070753678
Energy: 1.3262961437337006
Energy: 1.3345015154544415
Energy: 1.3293173046419071
Energy: 1.1717139113552681
Energy: 1.1662722387237003
Energy: 1.3148621391381734
Energy: 1.319243581991745
Energy: 1.4727739963093534
Energy: 1.4627525818946672
Energy: 1.3085008694571019
Energy: 1.3245116939781323
Energy: 1.3304811285675417
Energy: 1.3265021359187414
Energy: 1.3184356597141456
Energy: 1.4712663594302215
Energy: 1.5121696804398885
Energy: 1.4783673942514726
Energy: 1.4716142718317742
Energy: 1.4787360790553714
Energy: 1.4730737555814164
Energy: 1.325574321627495
Energy: 1.3264107849957654
Energy: 1.3229202868707457
Energy: 1.4819457553760615
Energy: 1.4738026658347383
Energy: 1.325927300799815
Energy: 1.314889634365313
Energy: 1.463263713254134
Energy: 1.4813437264048774
Energy: 1.318191596591976
Energy: 1.3284328584776885
Energy: 1.501625521429662
Energy: 1.326346087699229
Energy: 1.3258818653347533
Energy: 1.3183785600527111
Energy: 1.1669968065151628
Energy: 1.15799680674223
Energy: 1.3129711076205433
Energy: 1.4809855872572195
Energy: 1.2159310118258773
Energy: 1.3051868110037488
Energy: 1.3259047284463006
Energy: 1.3229962490692173
Energy: 1.3256294931381996
Energy: 1.3180241475146355
Energy: 1.166365545867657
Energy: 1.3261034465982011
Energy: 1.5123088124925645
Energy: 1.316828571059465
Energy: 1.5022752550602563
Energy: 1.4699718785409832
Energy: 1.481133451364065
Energy: 1.3354081409670562
Energy: 1.3236376164018726
Energy: 1.316239388992084
Energy: 1.4640549744632207
Energy: 1.501568931634859
Energy: 1.1664232476230447
Energy: 1.3433500240708534
Energy: 1.5116435371853056
Energy: 1.4767956611417346
Energy: 1.3129669536259834
Energy: 1.3226482404494284
Energy: 1.3230558419315557
Energy: 1.512416481246549
Energy: 1.474644521740623
Energy: 1.3252808374371188

minimum gb energy = 1.156151621627618 eV
minimum distance =  2.38108839543942 Angstroms
sigma value = 15


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

Energy: 1.5412688894829845
Energy: 1.386640618481432
Energy: 1.3169868769549349
Energy: 1.310635068900724
Energy: 1.2998926607897885
Energy: 1.339110970464526
Energy: 1.2952142844512131
Energy: 1.3049680885739643
Energy: 1.308548690337563
Energy: 1.382032522692119
Energy: 1.4562788221488687
Energy: 1.4146544612794292
Energy: 1.3392100003332614
Energy: 1.2959562742813562
Energy: 1.3068360291129937
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Energy: 1.4898349938384625
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Energy: 1.3063992043498551
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Energy: 1.317505900578545
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Energy: 1.3347268600223574
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Energy: 1.3395238481476095
Energy: 1.4626922537615636
Energy: 1.5172542278584604
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Energy: 1.3174868620967357
Energy: 1.3209635236650805
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Energy: 1.3018739773209123
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Energy: 1.314981952409218
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Energy: 1.3572079901598297
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Energy: 1.2973618135872487
Energy: 1.3182274854059413
Energy: 1.3129380336900704
Energy: 1.3153817191310349
Energy: 1.557004715659591
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Energy: 1.3300847400006877
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Energy: 1.4194300734736205
Energy: 1.3330478145483657
Energy: 1.3785090307664079
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Energy: 1.311461457029741
Energy: 1.3525003981043482
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Energy: 1.4158698011869586
Energy: 1.2970985621285875
Energy: 1.420536538751792
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Energy: 1.5035560502230176
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Energy: 1.373828392098987
Energy: 1.2920952191298407
Energy: 1.505812044515048
Energy: 1.4747436262884295
Energy: 1.3024789429171446
Energy: 1.2985946078565527
Energy: 1.3019723652110966
Energy: 1.2943739396983882
Energy: 1.4112327864885823
Energy: 1.5367171579848038
Energy: 1.5672403099446095
Energy: 1.5005971967845881
Energy: 1.3172052433841785
Energy: 1.3119810241962626
Energy: 1.3298630643864215
Energy: 1.2920740449200316
Energy: 1.302732785545728
Energy: 1.2952487967844626
Energy: 1.3389888842345972
Energy: 1.4645576587797953
Energy: 1.3832735136739225
Energy: 1.5626319598116034
Energy: 1.31507556678855
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Energy: 1.3194493973363597
Energy: 1.3219232752706516
Energy: 1.332030419046469
Energy: 1.3040475890326906
Energy: 1.3114206891309097
Energy: 1.2320232221496337
Energy: 1.368904081425855
Energy: 1.3160358337458946
Energy: 1.3134961978550883
Energy: 1.3080924333089023
Energy: 1.3022922266925605
Energy: 1.3140569882294346
Energy: 1.2958269415030825
Energy: 1.2884147424620929
Energy: 1.3028461809695113
Energy: 1.4705592010682658
Energy: 1.214913224202218
Energy: 1.4749147277271777
Energy: 1.340248715910123
Energy: 1.2899080026067085
Energy: 1.3084694096895733
Energy: 1.3100535024027484
Energy: 1.2953064906622462
Energy: 1.2926478393581922
Energy: 1.3135488431916347
Energy: 1.3108332350159564
Energy: 1.488327184213565
Energy: 1.4610765508335846
Energy: 1.4593807048757346
Energy: 1.3129348255387199
Energy: 1.308515171768997
Energy: 1.3101980470752108
Energy: 1.3085316110637841
Energy: 1.2959227022778976
Energy: 1.2334293117457662
Energy: 1.5156616048227103
Energy: 1.5202140580521952
Energy: 1.378714553806774
Energy: 1.404170846430441
Energy: 1.3107046220783012
Energy: 1.3182402381493288
Energy: 1.3122677434428276
Energy: 1.5141864185241936
Energy: 1.314562996755138
Energy: 1.466845140697225
Energy: 1.300083501266913
Energy: 1.2940555077602092
Energy: 1.389864446262905
Energy: 1.2935854950525527
Energy: 1.296341453975624
Energy: 1.404326743890862
Energy: 1.3107448807606348
Energy: 1.4063744459501013
Energy: 1.4153475629948482
Energy: 1.4673133574713455
Energy: 1.3308242609933028
Energy: 1.395560052648876
Energy: 1.4592397038529614
Energy: 1.406089423677017
Energy: 1.5060131876954437
Energy: 1.5135344653590235
Energy: 1.3137125976570698
Energy: 1.4038085452158835
Energy: 1.4547238815149988
Energy: 1.3339275521906806
Energy: 1.4709806910829255
Energy: 1.3890713835578707
Energy: 1.386204177512319
Energy: 1.4702040849496936
Energy: 1.4868412578592698
Energy: 1.4549331469071374
Energy: 1.469898056135376
Energy: 1.4110580877386825
Energy: 1.4100053079960844
Energy: 1.3913502915129836
Energy: 1.3330286215775937
Energy: 1.3603217357343211
Energy: 1.3211801160305496
Energy: 1.3791929431233758
Energy: 1.2998174861299872
Energy: 1.3578523709722814
Energy: 1.379028868077957
Energy: 1.416493253035111
Energy: 1.596897053023011
Energy: 1.3158986371609611
Energy: 1.4553397458013209
Energy: 1.4893557504570574
Energy: 1.4699032921926298
Energy: 1.4711279915548796
Energy: 1.4594221143067065
Energy: 1.4716886769810533
Energy: 1.466478051291486
Energy: 1.4524672649138024
Energy: 1.4097382601117563
Energy: 1.3869864808916108
Energy: 1.4241373623882467
Energy: 1.489256976272442
Energy: 1.4723087385144533
Energy: 1.4592199846504803
Energy: 1.3155499287807149
Energy: 1.4728350027892176
Energy: 1.4698278933864424
Energy: 1.3163794534885376
Energy: 1.4221892209102425
Energy: 1.4499096078125286
Energy: 1.401576861281611
Energy: 1.298135412620662
Energy: 1.3796603570428032
Energy: 1.4878384414786563
Energy: 1.2926878468234089
Energy: 1.3192880991260572
Energy: 1.3036156417514393
Energy: 1.5178895635690752
Energy: 1.3159861775648842
Energy: 1.3157668463026722
Energy: 1.3185110800934552
Energy: 1.2941812003862525
Energy: 1.4093622785820787
Energy: 1.2279525092259531
Energy: 1.3018727758336688
Energy: 1.3138711243293277
Energy: 1.317747278308027
Energy: 1.2946794819410028
Energy: 1.2978246897640384
Energy: 1.3155813615957996
Energy: 1.3112545881425963
Energy: 1.3109303789855846
Energy: 1.460003782413677
Energy: 1.568665127127709
Energy: 1.613131619223437
Energy: 1.3150987001008658
Energy: 1.3209835345168468
Energy: 1.300528402621218
Energy: 1.2893210097467522
Energy: 1.3865410342389326
Energy: 1.3095029246860028
Energy: 1.2333336199020342
Energy: 1.3413950705131634
Energy: 1.3964788809017494
Energy: 1.4893507949623246
Energy: 1.5608939266828097
Energy: 1.3055230376469031
Energy: 1.3011914934275597
Energy: 1.292987485925577
Energy: 1.336818564977106
Energy: 1.3040985739465942
Energy: 1.3084195184124612
Energy: 1.3123205292474687
Energy: 1.3216312919750166
Energy: 1.2860487760903891
Energy: 1.3052871619640347
Energy: 1.3383975571802615
Energy: 1.3377205746482794
Energy: 1.302647382872654
Energy: 1.297752711161297
Energy: 1.3203024973898365
Energy: 1.3120323551822493
Energy: 1.3186846445922116
Energy: 1.3791544611551025
Energy: 1.4549099654322648
Energy: 1.5523574298837626
Energy: 1.4105386508519637
Energy: 1.3269726623306135
Energy: 1.3000135705062588
Energy: 1.3465745063038674
Energy: 1.3205513288163653
Energy: 1.3114355100153796
Energy: 1.3170925090677341
Energy: 1.5651831463593922
Energy: 1.45682335371267
Energy: 1.4573182746309123
Energy: 1.3119075818664043
Energy: 1.3288623400028758
Energy: 1.4094406007158455
Energy: 1.2941209304009273
Energy: 1.3029866950578302
Energy: 1.3777076658935437
Energy: 1.343241677130736
Energy: 1.4016330056105293
Energy: 1.4221551910023604
Energy: 1.5614269183438514
Energy: 1.2897088569949586
Energy: 1.319447736586828
Energy: 1.3521283230257721
Energy: 1.4169142440985532
Energy: 1.5509099872025334
Energy: 1.3365003758130742
Energy: 1.5009530027264717
Energy: 1.3537889758616546
Energy: 1.311583164916245
Energy: 1.3232764332939864
Energy: 1.3310590571782137
Energy: 1.559008242354871
Energy: 1.573129896770075
Energy: 1.3011961770029907
Energy: 1.4143280345651768
Energy: 1.2988264400652254
Energy: 1.5442543000362734
Energy: 1.5679426007935242
Energy: 1.3853667924285702
Energy: 1.4202266118161029
Energy: 1.3115472135706705
Energy: 1.3344455566173883
Energy: 1.5617794191780157
Energy: 1.301841189121934
Energy: 1.4206727541321245
Energy: 1.5499853791084786
Energy: 1.420098951496019
Energy: 1.5734553606531614
Energy: 1.3669743432328052
Energy: 1.411636961011578
Energy: 1.3176514112652802
Energy: 1.291510783419187
Energy: 1.2982707025641937
Energy: 1.5689567103244153
Energy: 1.3020602295938521
Energy: 1.2911976156189116
Energy: 1.4193855928055485
Energy: 1.3172427750106304
Energy: 1.5316256581697993
Energy: 1.3922365270228643
Energy: 1.5382938828396393
Energy: 1.3800044349630998
Energy: 1.318638809754063
Energy: 1.3117348631563506
Energy: 1.332473750378567
Energy: 1.302206146847304
Energy: 1.3019429577749195
Energy: 1.3265301854007956
Energy: 1.4103415461180036
Energy: 1.5359104822586258
Energy: 1.4707035371499646
Energy: 1.5632127208012203
Energy: 1.314129916522164
Energy: 1.3055830070788774
Energy: 1.3197979478948958
Energy: 1.2979703978485913
Energy: 1.301157382525141
Energy: 1.3303167789196981
Energy: 1.4157695806569572
Energy: 1.3570608989268536
Energy: 1.360788501608476
Energy: 1.3084446182356284
Energy: 1.3123085155518226
Energy: 1.3082557035573175
Energy: 1.2990370813451388
Energy: 1.3208283991196093
Energy: 1.334684194278065
Energy: 1.3025333251253226
Energy: 1.3078004001193269
Energy: 1.2340827050979855

minimum gb energy = 1.214913224202218 eV
minimum distance =  2.32559895656039 Angstroms
sigma value = 437


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

Energy: 1.44213294245721
Energy: 1.3495580653871913
Energy: 1.344413741780006
Energy: 1.3489884795227773
Energy: 1.3606633024842059
Energy: 1.613808993151596
Energy: 1.357738085580085
Energy: 1.3453526611699538
Energy: 1.3506758090785524
Energy: 1.3265600167993972
Energy: 1.3627526722498673
Energy: 1.355803488329055
Energy: 1.3620933885518367
Energy: 1.3616575416438381
Energy: 1.339893919202342
Energy: 1.3596366501588448
Energy: 1.34281403128089
Energy: 1.3338910835970814
Energy: 1.49899370529344
Energy: 1.3555470428798957
Energy: 1.370145051077352
Energy: 1.33374242934703
Energy: 1.356000024451725
Energy: 1.363014041886689
Energy: 1.3357517865558497
Energy: 1.3401269895271202
Energy: 1.3337384292343077
Energy: 1.3404915219632185
Energy: 1.337795167765498
Energy: 1.3544857414595304
Energy: 1.3632576005340995
Energy: 1.3382178910229683
Energy: 1.3446927405976836
Energy: 1.5114173690662762
Energy: 1.3307470691134955
Energy: 1.3550240820046318
Energy: 1.3406325035821167
Energy: 1.395537057789365
Energy: 1.442529845581104
Energy: 1.3274526814654564
Energy: 1.3458000553800764
Energy: 1.487656555865811
Energy: 1.3182856931114522
Energy: 1.4021214032650835
Energy: 1.3948641465722378
Energy: 1.3664408748834256
Energy: 1.3632911188452281
Energy: 1.361906601230213
Energy: 1.3692785817620268
Energy: 1.337192487654293
Energy: 1.3409048799960788
Energy: 1.356211632565081
Energy: 1.3353204255147566
Energy: 1.3567690082086394
Energy: 1.3647728134995751
Energy: 1.35904243664057
Energy: 1.343440815306599
Energy: 1.356401032842228
Energy: 1.36464810595777
Energy: 1.3331466134152092
Energy: 1.3208800910203586
Energy: 1.5114040501679802
Energy: 1.3398419737850804
Energy: 1.337808066846765
Energy: 1.3539829504443206
Energy: 1.4029755974897968
Energy: 1.4629139108546376
Energy: 1.3643363895587008
Energy: 1.3623870455053122
Energy: 1.3395115450067159
Energy: 1.3176459835327199
Energy: 1.3891898468325186
Energy: 1.3961663737789949
Energy: 1.3433096079810978
Energy: 1.5133624542876445
Energy: 1.5920611637259976
Energy: 1.345146612192923
Energy: 1.3432307567805262
Energy: 1.3363847166220808
Energy: 1.4772409094302066
Energy: 1.3706546411421914
Energy: 1.3356424318640263
Energy: 1.3671568631420399
Energy: 1.3621355271672695
Energy: 1.337914875503984
Energy: 1.359804801495625
Energy: 1.3353319270547546
Energy: 1.3398876738761434
Energy: 1.336591114701983
Energy: 1.3556114152144838
Energy: 1.3633793257776992
Energy: 1.335519084833314
Energy: 1.3575365918075215
Energy: 1.3455250324501797
Energy: 1.3374717590536604
Energy: 1.3394939697936736
Energy: 1.3343230180383225
Energy: 1.342780042012317
Energy: 1.31598320403231
Energy: 1.515864194697807
Energy: 1.3531306834597052
Energy: 1.3202276325394748
Energy: 1.336358419546144
Energy: 1.3511942596871853
Energy: 1.3391101962631615
Energy: 1.401777834674734
Energy: 1.3625257446432244
Energy: 1.3639200434263858
Energy: 1.314109201699788
Energy: 1.3513607201641384
Energy: 1.3429718118675964
Energy: 1.3579349373205676
Energy: 1.3182569071525032
Energy: 1.3625550672512667
Energy: 1.3628904935349744
Energy: 1.3527617529679163
Energy: 1.3452513584059935
Energy: 1.3557082170487538
Energy: 1.3716323868409401
Energy: 1.3357109990570881
Energy: 1.5029372460862087
Energy: 1.3550718878171124
Energy: 1.334987237127637
Energy: 1.363315137474073
Energy: 1.3536547148751168
Energy: 1.4012768492019636
Energy: 1.3432400779982705
Energy: 1.3576430726536033
Energy: 1.3644537444267693
Energy: 1.3358856051139785
Energy: 1.3173673185608388
Energy: 1.3490779485002151
Energy: 1.3423492415215683
Energy: 1.340492415251371
Energy: 1.3539190541304396
Energy: 1.5115582071685387
Energy: 1.3686932675118504
Energy: 1.34577630664413
Energy: 1.396332581394344
Energy: 1.3130308417200796

minimum gb energy = 1.3130308417200796 eV
minimum distance =  2.33660836790325 Angstroms
sigma value = 33