Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001
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=3.9946083426475534
cohesive_energy=3.2851228778493895
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=[2.5887970052171996e-19, 3.1784460718282196e-19, 3.5843415002857797e-19, 3.88870699544676e-19, 4.11757792761366e-19, 4.30101113044032e-19, 4.4510069069154e-19, 4.575159574284059e-19, 4.67869222837314e-19, 4.765498158403259e-19, 4.8390540876702e-19, 4.9049836561593e-19, 4.973861229654959e-19, 5.0462956352781e-19, 5.1047270171200795e-19, 5.146752110229899e-19, 5.178475207583099e-19, 5.20340507600814e-19, 5.22306378330732e-19, 5.23825241779764e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26153204428966e-19, 5.2629259379612395e-19, 5.261451935457959e-19, 5.25691777558374e-19, 5.24885882711472e-19, 5.23730713358358e-19, 5.22295163094294e-19, 5.20753869172386e-19, 5.19082798943124e-19, 5.1667793181549e-19, 5.130794430955259e-19, 5.08293741489768e-19, 5.023384509411899e-19, 4.951190430283859e-19, 4.86475300087956e-19, 4.76232584866794e-19, 4.645959759740519e-19, 4.52978593200918e-19, 4.3992566016372e-19, 4.2190437738448797e-19, 3.9957644381306395e-19, 3.7310528146611595e-19, 3.43056458695446e-19, 3.0748172871410996e-19, 2.6524514828860197e-19, 2.28476796714936e-19, 1.8313359579610198e-19, 1.3462048840689898e-19, 1.046524153385826e-19, 1.2545988328434058e-19, 2.9161216915434e-19, 9.44991015735978e-19]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -6.30324146298057e-20 eV

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

Energy: 0.011738858297576716
Energy: 0.05800010249082206
Energy: 0.05812587595857611
Energy: 0.05954990310336844
Energy: 0.014006453918947333
Energy: 0.01252946847393898
Energy: 0.05778352769621742
Energy: 0.058378465816372044
Energy: 0.0590218939829154
Energy: 0.013580836498286489
Energy: 0.05804639826164893
Energy: 0.060168391936682025
Energy: 0.05766966210691143
Energy: 0.06003766124630904
Energy: 0.05996014906256967
Energy: 0.05828936693505415
Energy: 0.05984932794273563
Energy: 0.05768883487606749
Energy: 0.058955985649919676
Energy: 0.059360961088813204
Energy: 0.060070151039613016
Energy: 0.014018673401803015
Energy: 0.012024007183843676
Energy: 0.05823657203384339
Energy: 0.0593646611044247
Energy: 0.0593466909930639
Energy: 0.013531079277898865
Energy: 0.01199357926257569
Energy: 0.058067333775226056
Energy: 0.058221064082893986
Energy: 0.0578640941649437
Energy: 0.012797505699838096
Energy: 0.012674003190559403
Energy: 0.05937517939009687
Energy: 0.05835717622838912
Energy: 0.05824918836281838
Energy: 0.013153300767659231
Energy: 0.012293514242412158
Energy: 0.059727040384604996
Energy: 0.05822617776207902
Energy: 0.057608072351485066
Energy: 0.05896314042583106
Energy: 0.06031051951181489
Energy: 0.012839649875152048
Energy: 0.012897578492443251
Energy: 0.05856516671541856
Energy: 0.05896149752064734
Energy: 0.05991216603034232
Energy: 0.013443784054962703
Energy: 0.059555033176049245
Energy: 0.060725448563326546
Energy: 0.05770722893478979
Energy: 0.058871762867382556
Energy: 0.012430773994842213
Energy: 0.01424088830069915
Energy: 0.058950718562370524
Energy: 0.05773100352686078
Energy: 0.059227734210948006
Energy: 0.012772621316896876
Energy: 0.014642831305533012
Energy: 0.014834210134097756
Energy: 0.05910135116368418
Energy: 0.057761679433326496
Energy: 0.05835640455152256
Energy: 0.05911698875752066
Energy: 0.014700425396607084
Energy: 0.059356625117814914
Energy: 0.05890216716160096
Energy: 0.05861700941237208
Energy: 0.05876328299313188

minimum gb energy = 0.011738858297576716 eV
minimum distance =  2.78188949786851 Angstroms
sigma value = 3


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

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Energy: 0.4258809848723782
Energy: 0.4473811502581762
Energy: 0.42548001264458246
Energy: 0.437642198265087
Energy: 0.43664300281925117
Energy: 0.42606904330500056
Energy: 0.4475082307270499
Energy: 0.446916874523272
Energy: 0.4494200669798135
Energy: 0.45057312117238957
Energy: 0.41402911732079906
Energy: 0.4486591754314546
Energy: 0.3826171273381736
Energy: 0.36472418447467214
Energy: 0.36492210403452374
Energy: 0.4273317911236478
Energy: 0.4463485771574345
Energy: 0.39562491371329306
Energy: 0.3650827156717629
Energy: 0.42358717632699683
Energy: 0.47328040714865455
Energy: 0.39190041141478826
Energy: 0.3661253824785571
Energy: 0.3646112870233466
Energy: 0.3666605199535441
Energy: 0.4748090035724647
Energy: 0.39217302303917273
Energy: 0.4251857549341725
Energy: 0.3646925878942407
Energy: 0.43780536279040544
Energy: 0.4984177250362093
Energy: 0.47658818939571584
Energy: 0.3675862035794841
Energy: 0.36582212672783077
Energy: 0.36632288236323995
Energy: 0.4967990667956557
Energy: 0.39189943045282427
Energy: 0.429575627767679
Energy: 0.4064537091941332
Energy: 0.49437079790604554
Energy: 0.4522044246837205
Energy: 0.4802000039175645
Energy: 0.41035125387897553
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Energy: 0.45083079580702173
Energy: 0.4573942957584252
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Energy: 0.3867819600679605
Energy: 0.47032296955660263
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Energy: 0.4992525014648167
Energy: 0.40958683513438354
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Energy: 0.47520596805102405
Energy: 0.49852737991720525
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Energy: 0.3324594432473718
Energy: 0.41392736242715217
Energy: 0.4792260077868726
Energy: 0.4792532316052386
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Energy: 0.46114341270187
Energy: 0.47684376516776344
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Energy: 0.33183385853805836
Energy: 0.3325651256032402
Energy: 0.4712293291282954
Energy: 0.47154931893511637
Energy: 0.4373093875730354
Energy: 0.465736797143495
Energy: 0.4620542963598854
Energy: 0.4710866720063928
Energy: 0.4504614671186773
Energy: 0.450694947601619
Energy: 0.4521494743140119
Energy: 0.4509873449469832
Energy: 0.4703390096867499
Energy: 0.46789548980807777
Energy: 0.46359402401757294
Energy: 0.3684413146393397
Energy: 0.4819219798169463
Energy: 0.47075116655515775
Energy: 0.47088004759317686
Energy: 0.3317948126375364
Energy: 0.33047624902267225
Energy: 0.4284996649820415
Energy: 0.47144916163464956
Energy: 0.5184004941987943
Energy: 0.33094769452379585
Energy: 0.4140772184245368
Energy: 0.41444735744909517
Energy: 0.39135680892744423
Energy: 0.35276967694938505
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Energy: 0.3922580389762012
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Energy: 0.40579145032066083
Energy: 0.41116803965497034
Energy: 0.40404397609442044
Energy: 0.3903635911422447
Energy: 0.39076207030451304
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Energy: 0.38543940306884567
Energy: 0.3520940592613818
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Energy: 0.39124530689999953
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Energy: 0.4363061089985106
Energy: 0.4718310347855103
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Energy: 0.48843857360093446
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Energy: 0.4931170365948921
Energy: 0.41506914875185563
Energy: 0.4919314020703316
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Energy: 0.4717168294309532
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Energy: 0.4475576788952128
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Energy: 0.47775765384463587
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Energy: 0.4731945627180407
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Energy: 0.3950669141468644
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Energy: 0.46396069770412246
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Energy: 0.4747145550893662
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Energy: 0.40332807865770753
Energy: 0.4766594535203668
Energy: 0.5234918877069251
Energy: 0.42133852272972133
Energy: 0.3721726686586641
Energy: 0.40847448299982
Energy: 0.4504405924779054
Energy: 0.5214668794106739
Energy: 0.42402701222126843
Energy: 0.37168075089891145
Energy: 0.40884016566865194
Energy: 0.4764988024578168
Energy: 0.39903756216721414
Energy: 0.41597507104096504
Energy: 0.41089968805754024
Energy: 0.4189665540472786
Energy: 0.38894344413121046
Energy: 0.4065254171284309
Energy: 0.42403683114785945
Energy: 0.4110077771090515
Energy: 0.40010561850305165
Energy: 0.3892466671695124
Energy: 0.3978490622485991
Energy: 0.41812734342159136
Energy: 0.4133116065883044
Energy: 0.42066265997762603
Energy: 0.3899583014909782
Energy: 0.41357911077303194
Energy: 0.4145617893529092
Energy: 0.3828521436352352
Energy: 0.395660385540494
Energy: 0.39394995299362034
Energy: 0.433294477487133
Energy: 0.413893553975602
Energy: 0.41411915192215304
Energy: 0.4268457817659091
Energy: 0.44379483747886417
Energy: 0.36690877730773735
Energy: 0.3654484631112267
Energy: 0.4158928864212991
Energy: 0.5327871320960729
Energy: 0.44649906141104445
Energy: 0.4998374478513434
Energy: 0.4492292533754032
Energy: 0.4815738501406976
Energy: 0.47113202724850983
Energy: 0.47167084975288714
Energy: 0.42891985603368443
Energy: 0.36308603970342734
Energy: 0.4279187298882567
Energy: 0.47178754226240166
Energy: 0.4715502564991493
Energy: 0.44819672214061224
Energy: 0.409256882762082
Energy: 0.44816810260854556
Energy: 0.44540101145160055
Energy: 0.42540623145178696
Energy: 0.36434600838802916
Energy: 0.3650213427613569
Energy: 0.4499142578470906
Energy: 0.4348640290894554
Energy: 0.4752659773085466
Energy: 0.45320729811034455
Energy: 0.4245308615722822
Energy: 0.44778503360550614
Energy: 0.4246830139364891
Energy: 0.43533502359142734
Energy: 0.4382718437165729
Energy: 0.4258838517843889
Energy: 0.4464454627200237
Energy: 0.446643585128303
Energy: 0.4530553355038489

minimum gb energy = 0.33047624902267225 eV
minimum distance =  2.42477299273266 Angstroms
sigma value = 75


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

Energy: 0.9897286802512676
Energy: 0.4855053022413316
Energy: 0.41865344085749034
Energy: 0.4760905514871323
Energy: 0.47955995887315905
Energy: 0.4177355260476598
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Energy: 0.47603898265388994
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Energy: 0.42011185305735804
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Energy: 0.426923275696739
Energy: 0.44013674781542855
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Energy: 0.4490566266123863
Energy: 0.4623007292155734
Energy: 0.45810373473825144
Energy: 0.53505481337321
Energy: 0.46042590042146764
Energy: 0.4646841906046044
Energy: 0.4314197069036452
Energy: 0.4744249844199788
Energy: 0.4312558427425025
Energy: 0.4592413782560058
Energy: 0.4329754035592641
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Energy: 0.46715044205580286
Energy: 0.4360042618131229
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Energy: 0.43535937113195566
Energy: 0.42416680266532064
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minimum gb energy = 0.41267807043428273 eV
minimum distance =  2.51917541027995 Angstroms
sigma value = 105


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

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Energy: 0.525500122168677
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Energy: 0.44657960569979166
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Energy: 0.5073842692153517
Energy: 0.5114489260211259
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Energy: 0.5077570499062292
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Energy: 0.47932478015530405
Energy: 0.4776853761625874
Energy: 0.45941632158322543
Energy: 0.49113090896265893
Energy: 0.4930825270299191
Energy: 0.4787187226394332
Energy: 0.47809573177610565
Energy: 0.47468859311066186
Energy: 0.49121139787592133
Energy: 0.4954570423710232
Energy: 0.48210963381943506
Energy: 0.48200155817119567
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Energy: 0.4788206756645705
Energy: 0.4832471380365089
Energy: 0.47885238563380994
Energy: 0.45084869820057977
Energy: 0.4775562589591646
Energy: 0.478552357767527
Energy: 0.4805879332863911
Energy: 0.48395300215104875
Energy: 0.48399119678146074
Energy: 0.4719670227476461
Energy: 0.4764670152759403
Energy: 0.4777538192572768
Energy: 0.47998011792216655
Energy: 0.46020222166947106
Energy: 0.48292302480270344
Energy: 0.4831860677579725
Energy: 0.48084610838967234
Energy: 0.45806536192516223
Energy: 0.48157921156551897
Energy: 0.4778492253924856
Energy: 0.4446452389748704
Energy: 0.47208178208591056
Energy: 0.4353271140553632
Energy: 0.4784057970179824
Energy: 0.47968555280584657
Energy: 0.4777658821038552
Energy: 0.5113920689099758
Energy: 0.44871449811702885
Energy: 0.48244701435281023
Energy: 0.48394146234259794
Energy: 0.46820911723650044
Energy: 0.5048176213534472
Energy: 0.4489468353236919
Energy: 0.4860693159345622
Energy: 0.499040459932182
Energy: 0.4676522935125697
Energy: 0.49594877448355196
Energy: 0.4922361416145935
Energy: 0.48488771749133686
Energy: 0.5001883696073524
Energy: 0.4943420364803798
Energy: 0.5097812526844955
Energy: 0.4744013221752368
Energy: 0.5015584419527077
Energy: 0.4993381993077568
Energy: 0.4936214425897852
Energy: 0.4821826199573638
Energy: 0.44745830461676633
Energy: 0.44817268981247005
Energy: 0.44890683805549286
Energy: 0.4836697382776598
Energy: 0.4625129382848755
Energy: 0.4347930986074815
Energy: 0.43538382868898284
Energy: 0.43664799858987574
Energy: 0.49609143984526916
Energy: 0.4890599090504305
Energy: 0.4352261765824209
Energy: 0.447451760526475
Energy: 0.4366791959993538
Energy: 0.43528152307669066
Energy: 0.43349625737419
Energy: 0.43491824287862696
Energy: 0.4472761958337847
Energy: 0.4360065670046842
Energy: 0.480637107008496

minimum gb energy = 0.4331625833945702 eV
minimum distance =  2.47973731353337 Angstroms
sigma value = 165


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

Energy: 0.6087825632306016
Energy: 0.4316891457895207
Energy: 0.43182722608744567
Energy: 0.45566779597007656
Energy: 0.4282597182007114
Energy: 0.6073016418897792
Energy: 0.4318458996038092
Energy: 0.43197999137342485
Energy: 0.4561912334415819
Energy: 0.4278503850419092
Energy: 0.4584254654921435
Energy: 0.45493032941664
Energy: 0.43255183636635547
Energy: 0.45664420966319585
Energy: 0.454332121018558
Energy: 0.45488721823349365
Energy: 0.45437544965076276
Energy: 0.4557899688373146
Energy: 0.45725569978441216
Energy: 0.45410945980988593
Energy: 0.45783426952235606
Energy: 0.4582058262230362
Energy: 0.4548888228643129
Energy: 0.43155844082214095
Energy: 0.47462668945025954
Energy: 0.45705029684762594
Energy: 0.43312981840478915
Energy: 0.457804093445691
Energy: 0.4315084188394476
Energy: 0.4904560700584535
Energy: 0.49692390688916643
Energy: 0.45521841619135434
Energy: 0.45741709493321586
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Energy: 0.43183883038006793
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Energy: 0.4299489739305933
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Energy: 0.4542352567393699
Energy: 0.4276602236243899
Energy: 0.43240587978332706
Energy: 0.4312169939620126
Energy: 0.45389292600333775
Energy: 0.47861723914663395
Energy: 0.4565735897672417
Energy: 0.45762164211791795
Energy: 0.45878845424702
Energy: 0.45678412395564244
Energy: 0.45374995672421176
Energy: 0.4558581615752831
Energy: 0.4558193294351549
Energy: 0.45788416251326536
Energy: 0.4572923221230248
Energy: 0.45853671375552385
Energy: 0.4766545795644792
Energy: 0.43174229815800763
Energy: 0.4587886457063227
Energy: 0.4317872318775714
Energy: 0.4753454807980012
Energy: 0.4582104912094094
Energy: 0.4314952686524689
Energy: 0.45773979851541374
Energy: 0.43184146712505456
Energy: 0.4750048918415821
Energy: 0.4579895454986562
Energy: 0.45851774784179816
Energy: 0.45744628125070225
Energy: 0.4585909925086113
Energy: 0.4279516411650821
Energy: 0.4582358945556934
Energy: 0.4558533361735567
Energy: 0.4577071940088389
Energy: 0.45905628840609863
Energy: 0.46292676745168976
Energy: 0.49341797113789304
Energy: 0.4655869415602965
Energy: 0.43333850703975546
Energy: 0.4545077835923801
Energy: 0.4340238281316209
Energy: 0.4629395522930539
Energy: 0.45706845478170405
Energy: 0.4336476482088297
Energy: 0.45501887012000225
Energy: 0.4333258495300877
Energy: 0.45539550808337104
Energy: 0.4560218176497743
Energy: 0.43146316677496255
Energy: 0.42966113199806427
Energy: 0.46889066830871595
Energy: 0.4888905532625286
Energy: 0.45542525330528927
Energy: 0.43158161573031184
Energy: 0.42868295650840443
Energy: 0.45402933066086526
Energy: 0.42826141960247016
Energy: 0.4588515528098348
Energy: 0.4559017740372834
Energy: 0.4323724332861454
Energy: 0.45517454319760337
Energy: 0.42818882148578985
Energy: 0.4564761978480944
Energy: 0.4559114704886241
Energy: 0.431716342803412
Energy: 0.45522059664148967

minimum gb energy = 0.4266482001470351 eV
minimum distance =  2.5274247380712 Angstroms
sigma value = 41


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

Energy: 0.41579299248500695
Energy: 0.3838497143669663
Energy: 0.4063297502785804
Energy: 0.38279367881600196
Energy: 0.3795543360373866
Energy: 0.4188241653602688
Energy: 0.3833117310612495
Energy: 0.4077639779800956
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Energy: 0.4373282212529173
Energy: 0.42462991619559304
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Energy: 0.38509582799653325
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Energy: 0.4206244118354839
Energy: 0.4378691375452721
Energy: 0.40360037630420326
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Energy: 0.4110826431951852
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Energy: 0.42395018666655715
Energy: 0.42700119638099104
Energy: 0.43662759196996587
Energy: 0.4242953032436213
Energy: 0.4424528925753861
Energy: 0.4217738448113146
Energy: 0.43040223623001894
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Energy: 0.4045908393147378
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Energy: 0.42215288601858403
Energy: 0.44379782734291195
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Energy: 0.43516196135856455
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Energy: 0.4041004884386216
Energy: 0.44577363569433315
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Energy: 0.4209868987253085
Energy: 0.43885963426296276
Energy: 0.39779702874238204
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Energy: 0.4432875926814867
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Energy: 0.4436400878015224
Energy: 0.4298843231970475
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Energy: 0.42701334719611106
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Energy: 0.4080322032938583
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Energy: 0.42711764230235877
Energy: 0.42268015294593003
Energy: 0.4203893209575837
Energy: 0.3908303110297147
Energy: 0.43411115622741236
Energy: 0.42397374399707766
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Energy: 0.4028022532846605
Energy: 0.4247967369598597
Energy: 0.4271756211321552
Energy: 0.4025086935604757
Energy: 0.41623051686206997
Energy: 0.381835803389761
Energy: 0.41945632004580513
Energy: 0.4227521996108109
Energy: 0.3935110976004747
Energy: 0.4166203371479558
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Energy: 0.42264170155710734
Energy: 0.4227653709818813
Energy: 0.3808266966480644
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Energy: 0.41940722382227935
Energy: 0.42967686986005293
Energy: 0.41564814076215145
Energy: 0.3813575352806451
Energy: 0.42255042102884993
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Energy: 0.4322157173415066
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Energy: 0.41839137987768527
Energy: 0.44045899672762245
Energy: 0.42722121060135604
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Energy: 0.44531111742826257
Energy: 0.40124634388156566
Energy: 0.4274379069706849
Energy: 0.42767813991903025
Energy: 0.4280922270272742
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Energy: 0.4281994320111392
Energy: 0.4268725539643963
Energy: 0.4271441111057819
Energy: 0.4271294250381362
Energy: 0.45039653825792114
Energy: 0.41700472905357516
Energy: 0.41420696006867885
Energy: 0.42716617808555196
Energy: 0.4274644881680335
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Energy: 0.4256390884262494
Energy: 0.43944164217626114
Energy: 0.4351082475270035
Energy: 0.430492528603943
Energy: 0.41361218732210364
Energy: 0.42392927728526175
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Energy: 0.38404491591806383
Energy: 0.42392966741836147
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Energy: 0.43576010391347086
Energy: 0.422403253911229
Energy: 0.4218787499978008
Energy: 0.41851571179655067
Energy: 0.39637517973439856
Energy: 0.4116673998280798
Energy: 0.3973811272268583
Energy: 0.38062899563668695
Energy: 0.4083013771054739
Energy: 0.3979383871587658
Energy: 0.41736425811749894
Energy: 0.40400406991414756
Energy: 0.42302051990006106
Energy: 0.4107804069531906
Energy: 0.4086106436249762
Energy: 0.44148996257371237
Energy: 0.41423312322923733
Energy: 0.4052029584719333
Energy: 0.3784288900838119
Energy: 0.41947993695106306
Energy: 0.4169707450181888
Energy: 0.41615991025876264
Energy: 0.37859192718500456
Energy: 0.42489202306674784
Energy: 0.4276464069165019
Energy: 0.3844373766033075
Energy: 0.4174616683549839
Energy: 0.431645673748083
Energy: 0.38434590849079237
Energy: 0.4144542818158229
Energy: 0.38334404227480545
Energy: 0.4123472081769866
Energy: 0.4155353195478683
Energy: 0.41283894799430115

minimum gb energy = 0.3784288900838119 eV
minimum distance =  2.5502769760108 Angstroms
sigma value = 185


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

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Energy: 0.31529187041225204
Energy: 0.3152588364415629
Energy: 0.31969526291521677
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Energy: 0.32047195196094264
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Energy: 0.2759473435309886
Energy: 0.3177262527631451
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Energy: 0.2883760560357215
Energy: 0.28044144021221384
Energy: 0.3192436481843412
Energy: 0.2403769848906669
Energy: 0.23708099192236412
Energy: 0.2717671502245252
Energy: 0.31682404050093715
Energy: 0.3117107370040918
Energy: 0.23529878276427696
Energy: 0.23780147872088006
Energy: 0.30020387556719524
Energy: 0.29558009549977393
Energy: 0.2815653931526713
Energy: 0.31995901344501537
Energy: 0.3200981614135525
Energy: 0.30796347775853106
Energy: 0.34163050852995014
Energy: 0.31304164282279406
Energy: 0.29520486166614857
Energy: 0.3122599551070899
Energy: 0.3328427674901158
Energy: 0.2702361790496633
Energy: 0.3206307451064378
Energy: 0.3519689007319224
Energy: 0.2993564031455023
Energy: 0.29044148690814975
Energy: 0.27321581622541347
Energy: 0.32950624344616875
Energy: 0.23382674364191672
Energy: 0.2950527073805089
Energy: 0.2815582145025995
Energy: 0.306756215320503
Energy: 0.34823251588501286

minimum gb energy = 0.18731122282778423 eV
minimum distance =  2.59174254023377 Angstroms
sigma value = 33


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

Energy: 0.3649148722017201
Energy: 0.36327102153942425
Energy: 0.3672414183001895
Energy: 0.3675037259246627
Energy: 0.35834687769253903
Energy: 0.3570487532847903
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Energy: 0.37685895117586293
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Energy: 0.36401044748816946
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Energy: 0.35917957203820094
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Energy: 0.365441366058224
Energy: 0.36483293613559076
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Energy: 0.3654758261782731
Energy: 0.3634118053092585
Energy: 0.35711375740078377
Energy: 0.36498349124461793
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Energy: 0.3643831061406738
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Energy: 0.3607487757544178
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Energy: 0.3642392028447429
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Energy: 0.3660286132652887
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Energy: 0.3649460031409583
Energy: 0.36879116430913195
Energy: 0.3767658379391158
Energy: 0.3659462763123538

minimum gb energy = 0.35542025194822685 eV
minimum distance =  2.58213073154715 Angstroms
sigma value = 219


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

Energy: 0.47728624380496015
Energy: 0.47562569750214717
Energy: 0.4771146863503922
Energy: 0.4769856816870959
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Energy: 0.47583095039828993
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Energy: 0.4885971116894704
Energy: 0.4747611726000253
Energy: 0.4788674615855513
Energy: 0.47582515909240725
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Energy: 0.478782367911951
Energy: 0.4753735478239939
Energy: 0.47624637155214883
Energy: 0.485649096155258
Energy: 0.47835795244778895
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Energy: 0.47509386025363187
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Energy: 0.48113199980186505
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Energy: 0.4750998284235526
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Energy: 0.4764667209862408
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Energy: 0.47458897284108714
Energy: 0.4788864113237292
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Energy: 0.4829394772425293
Energy: 0.46923108460067137
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Energy: 0.4752850348179507
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Energy: 0.47622768450214686
Energy: 0.4905231651372185
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Energy: 0.4791564060081532
Energy: 0.4759947747726064
Energy: 0.49004512755834395
Energy: 0.4743438402576198
Energy: 0.47794809765759677
Energy: 0.4747905264776159
Energy: 0.47985426962986616
Energy: 0.4742889479187775
Energy: 0.48997442509573175
Energy: 0.4745752474155483
Energy: 0.47448762358053653
Energy: 0.4786018048008152
Energy: 0.4788112856718553
Energy: 0.4898771786465419
Energy: 0.4785217841566171
Energy: 0.4750416033430101
Energy: 0.48953303204671794
Energy: 0.48683357047215975
Energy: 0.4741794630649085
Energy: 0.4859749169044871
Energy: 0.4748761800887342
Energy: 0.4774656381574926
Energy: 0.47844914544715433
Energy: 0.47483449213686385
Energy: 0.47034416848555793
Energy: 0.4791432150536216
Energy: 0.47577123238033603
Energy: 0.47644580673906667
Energy: 0.47614522593882114
Energy: 0.48654958588186603
Energy: 0.479281994352969
Energy: 0.47540204402448827
Energy: 0.47928109668818236
Energy: 0.4754359910522067

minimum gb energy = 0.46923108460067137 eV
minimum distance =  2.55310344366656 Angstroms
sigma value = 15


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

Energy: 0.5421455717666097
Energy: 0.5527183982792911
Energy: 0.5576471149014847
Energy: 0.550476255659246
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minimum gb energy = 0.536993953632587 eV
minimum distance =  2.54887144471667 Angstroms
sigma value = 293


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

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Energy: 0.5618995500429023
Energy: 0.5393841468352449
Energy: 0.5480161640636222
Energy: 0.5414856003537134
Energy: 0.5386052313888883
Energy: 0.5462713188396127
Energy: 0.5401587094846834
Energy: 0.5452756673079565
Energy: 0.5397279671486634
Energy: 0.5545111700617783
Energy: 0.543279078438307
Energy: 0.5444956335782345
Energy: 0.545003808940114
Energy: 0.540075759084617
Energy: 0.5508321527773149
Energy: 0.542712418767321
Energy: 0.5453785382763225
Energy: 0.5452514180874035
Energy: 0.5537684728486966
Energy: 0.5454184515153627
Energy: 0.5516996169446031
Energy: 0.5608830198359267
Energy: 0.5551408656939515
Energy: 0.5549515268366176
Energy: 0.5457191638329326
Energy: 0.5513805059914383
Energy: 0.5610999952847789
Energy: 0.5465442153296822
Energy: 0.5520228602398493
Energy: 0.5691424090070334
Energy: 0.5433429479807481
Energy: 0.5625673995736282
Energy: 0.5444271298222904
Energy: 0.5762759020909145
Energy: 0.5688661892871668
Energy: 0.5433012969743639
Energy: 0.549148881391701
Energy: 0.5709910776996089
Energy: 0.5617303379990274
Energy: 0.5418443596834843
Energy: 0.5429893980878091
Energy: 0.561197342535593
Energy: 0.5455506933464727
Energy: 0.5480289057685712
Energy: 0.5390854760549575
Energy: 0.5439228618721825
Energy: 0.5610665994443474
Energy: 0.5277942103049393
Energy: 0.5555996505779248
Energy: 0.5401137461687746
Energy: 0.5431600808411776
Energy: 0.5542958536353172
Energy: 0.5285000333799379
Energy: 0.5660946382128718
Energy: 0.5399318843671902
Energy: 0.5434525721720374
Energy: 0.5503576632632207
Energy: 0.5456400405789572
Energy: 0.5378059968600084
Energy: 0.53872508738365
Energy: 0.5427360610270494
Energy: 0.5401373326499063
Energy: 0.5470056370395997
Energy: 0.5384400335617093
Energy: 0.5389290791429378
Energy: 0.5430908631352546
Energy: 0.539565338941644
Energy: 0.5529461196847786
Energy: 0.5422394614129302
Energy: 0.5388631298407923
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Energy: 0.577062410112275
Energy: 0.5530957050700592
Energy: 0.5419290997303978
Energy: 0.5390227083928962
Energy: 0.5714562350401814
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Energy: 0.5743686523281124
Energy: 0.5286644157754951
Energy: 0.5365728614006348
Energy: 0.5517877076640457
Energy: 0.551615531823596
Energy: 0.5745852276782936
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Energy: 0.5524327997054455
Energy: 0.551617154394032
Energy: 0.5581769776526393
Energy: 0.5391735017604729
Energy: 0.566118865519463
Energy: 0.5386788789866886
Energy: 0.5393623812427819
Energy: 0.5598099877106801
Energy: 0.5384198156783262
Energy: 0.5307206097963524
Energy: 0.5386326377680151
Energy: 0.5396264685888497
Energy: 0.5377423177392452
Energy: 0.539975962777085
Energy: 0.5458039969978815
Energy: 0.5421972892063546
Energy: 0.5390260848353043
Energy: 0.5415586301764286
Energy: 0.5393234405328389
Energy: 0.5449421397676103
Energy: 0.5430106509726719
Energy: 0.5389498507346715
Energy: 0.5473593620247154
Energy: 0.5372424964457004
Energy: 0.5513213086101768
Energy: 0.5380936518559198
Energy: 0.5507105744213289
Energy: 0.5435002015273152
Energy: 0.5377381191003475
Energy: 0.5458022021354025
Energy: 0.5386420085250565
Energy: 0.5510335738322076
Energy: 0.5559349002575301
Energy: 0.5462760973361592
Energy: 0.5623188397603631
Energy: 0.5549976037092871
Energy: 0.544865451216891
Energy: 0.5392462195563692
Energy: 0.5610456705654664
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Energy: 0.5541544421503173
Energy: 0.543321499593773
Energy: 0.5524794944948187
Energy: 0.5464288998906333
Energy: 0.5610805852899917
Energy: 0.552836962372412
Energy: 0.5697661144434667
Energy: 0.5519170834596735
Energy: 0.5473159278438319
Energy: 0.5617288009057615
Energy: 0.5522963658463725
Energy: 0.5456068847281677
Energy: 0.5465894343042724
Energy: 0.5392921854157042
Energy: 0.5444054696427251
Energy: 0.5451172643756561
Energy: 0.5458523196447439
Energy: 0.5431634145331002
Energy: 0.5400091770279674
Energy: 0.554439727832252
Energy: 0.545022097333076
Energy: 0.5460347576296918
Energy: 0.538707572995913
Energy: 0.545782240645381
Energy: 0.5361084381300745
Energy: 0.5271702253626886
Energy: 0.5438340701517499
Energy: 0.5393788302086089
Energy: 0.54656977690405
Energy: 0.5351606716409422
Energy: 0.5270000305269601
Energy: 0.5445510104035328
Energy: 0.5424294836016109
Energy: 0.5479111928637039
Energy: 0.5401164750350338
Energy: 0.5436841427043261
Energy: 0.5388831870759188
Energy: 0.5429346294688474
Energy: 0.5485167093042712
Energy: 0.5595901437892117
Energy: 0.5430386788781645
Energy: 0.5388842497986791
Energy: 0.5611424630606383
Energy: 0.5409404010115074
Energy: 0.5378071525745131
Energy: 0.5591382024304159
Energy: 0.541130396545424
Energy: 0.5613294238422518
Energy: 0.5413942099669423
Energy: 0.5413150404306428
Energy: 0.5611890487979269
Energy: 0.5404966675814838
Energy: 0.543582946310439
Energy: 0.5451506462872739
Energy: 0.5557457946481685
Energy: 0.5414551745890492
Energy: 0.5296342658731422
Energy: 0.5528287430753135
Energy: 0.5428214621003672
Energy: 0.5643968636896111
Energy: 0.5409668206328035
Energy: 0.535211172846572
Energy: 0.5701816093415147
Energy: 0.5378274658289857
Energy: 0.5417336877680979
Energy: 0.5522391219608569
Energy: 0.5647830504762417
Energy: 0.5431722555940451
Energy: 0.5377636447213907
Energy: 0.5422169032966598
Energy: 0.5519182731126447
Energy: 0.5287782211977531
Energy: 0.5435774063109206
Energy: 0.5421795355948003
Energy: 0.5402549581515277
Energy: 0.5472329371464191
Energy: 0.5395392165635016
Energy: 0.5423981319532675
Energy: 0.541906970580754
Energy: 0.5391275782482337
Energy: 0.5454619295500229
Energy: 0.5549362740375917
Energy: 0.5451530829537569
Energy: 0.5526911884275213
Energy: 0.5510078083863018
Energy: 0.5373562352436174
Energy: 0.5436939061601941
Energy: 0.5445439323135629
Energy: 0.5532153066290938
Energy: 0.5516227451694612
Energy: 0.5371600794745578
Energy: 0.5471933549177616
Energy: 0.5432020066369241
Energy: 0.5538275635817727
Energy: 0.5623556942241884
Energy: 0.5404479532587585
Energy: 0.5609633566906358
Energy: 0.54479738003684
Energy: 0.554674814562155
Energy: 0.5639290713414827
Energy: 0.5595123828462444
Energy: 0.5610319441051546
Energy: 0.5463566446924911
Energy: 0.5524985835502176
Energy: 0.5459382778608259
Energy: 0.542667220694575
Energy: 0.5617116342583334
Energy: 0.544782620466308
Energy: 0.5533129982631182
Energy: 0.5808948857485028
Energy: 0.5451473559700617
Energy: 0.5786427786833797
Energy: 0.5274100364104857
Energy: 0.5482504418625899
Energy: 0.5420631180958861
Energy: 0.5426518232308075
Energy: 0.5618200185106905
Energy: 0.5543514925392792
Energy: 0.5475591514658488
Energy: 0.5420586544386252
Energy: 0.5425873123301002
Energy: 0.5725031278042689

minimum gb energy = 0.5269717568975661 eV
minimum distance =  2.54057887783002 Angstroms
sigma value = 293


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

Energy: 0.5264614385189776
Energy: 0.5300600352053756
Energy: 0.5681355157997074
Energy: 0.5292515600858009
Energy: 0.5282338961376571
Energy: 0.5228571283920688
Energy: 0.5300008380802737
Energy: 0.5670845142690828
Energy: 0.529391985790892
Energy: 0.525931299576883
Energy: 0.5659967492181043
Energy: 0.5292534740132762
Energy: 0.5293700168652977
Energy: 0.5284782873595638
Energy: 0.5301444929159098
Energy: 0.5624111970215391
Energy: 0.5291807796144952
Energy: 0.5229192446861123
Energy: 0.5284157442525119
Energy: 0.5296963395157825
Energy: 0.5287157553062081
Energy: 0.528949996434457
Energy: 0.5296757256318388
Energy: 0.529683309202744
Energy: 0.5630114201814004
Energy: 0.5285516676605388
Energy: 0.5256673065147911
Energy: 0.5293810094219126
Energy: 0.5659742228035589
Energy: 0.5628000823224574
Energy: 0.5677172652084905
Energy: 0.5214526445812637
Energy: 0.5217353531836334
Energy: 0.5288848200612908
Energy: 0.5625455791348013
Energy: 0.5671426680537893
Energy: 0.5215565133367074
Energy: 0.5232434613384184
Energy: 0.5287087807051265
Energy: 0.5221289104473635
Energy: 0.5289871741129519
Energy: 0.5272597374887368
Energy: 0.5217648310946765
Energy: 0.5266456528946964
Energy: 0.5293974862291053
Energy: 0.5290428475443554
Energy: 0.524251491464813
Energy: 0.5211459190069261
Energy: 0.5256894358007669
Energy: 0.5258968085703172
Energy: 0.5295123135796955
Energy: 0.5659416383789284
Energy: 0.5299818812958393
Energy: 0.5289273677811754
Energy: 0.5295557255982107
Energy: 0.529551423899823
Energy: 0.5666298203791337
Energy: 0.5299940926912629
Energy: 0.5288315402342142
Energy: 0.5280427663643855
Energy: 0.5683412268896062
Energy: 0.5218584099261736
Energy: 0.5292612137524788
Energy: 0.5261202724284066
Energy: 0.5257798461897215
Energy: 0.5679406856380224
Energy: 0.5211275170317569
Energy: 0.5293254548097713
Energy: 0.5259560289852434
Energy: 0.5257009926656416
Energy: 0.5294346469132021
Energy: 0.5629985001406604
Energy: 0.5293519420557721
Energy: 0.522226650188632
Energy: 0.5281252554055046
Energy: 0.5294569925288894
Energy: 0.5638293481060226
Energy: 0.5294333573049762
Energy: 0.5268765627527334
Energy: 0.5288692838310407
Energy: 0.5288729966764723
Energy: 0.5223342877093028
Energy: 0.5286528697399513
Energy: 0.5213351054081636
Energy: 0.5642538472982511
Energy: 0.5290422896074652
Energy: 0.5293422951347051
Energy: 0.5290536030109853
Energy: 0.5211591589886538
Energy: 0.5671584410880303
Energy: 0.5292958544729832
Energy: 0.5296742472196095
Energy: 0.5634732555954636
Energy: 0.568150024529825
Energy: 0.529509891616335
Energy: 0.530876337525247
Energy: 0.5318202870636354
Energy: 0.564387203897344
Energy: 0.5340955103045639
Energy: 0.5288746896046728
Energy: 0.5214881865641323
Energy: 0.5303206324875472
Energy: 0.5308224258306822
Energy: 0.5300779878544586
Energy: 0.5631911572920487
Energy: 0.5213602875603136
Energy: 0.5294830540949507
Energy: 0.5209980209382611
Energy: 0.568098561920939
Energy: 0.5633522041396869
Energy: 0.5265420510823254
Energy: 0.5302552168106859
Energy: 0.5682049932146339
Energy: 0.5291114459131964
Energy: 0.5283087709138686
Energy: 0.5220422022943232
Energy: 0.5300747552682298
Energy: 0.567353351237017
Energy: 0.5295133395455134
Energy: 0.5263231421056328
Energy: 0.5660338226880995
Energy: 0.5294946375290948
Energy: 0.5292024665112933
Energy: 0.5290410459390213
Energy: 0.5299328658234413
Energy: 0.5624311193177803
Energy: 0.5291087421964665
Energy: 0.5229292711755907
Energy: 0.5285831864772416
Energy: 0.5298300465923282
Energy: 0.5286175736888906
Energy: 0.5290194112665915
Energy: 0.5297405759583068
Energy: 0.5673040713240755
Energy: 0.5632224363582579
Energy: 0.5284486949863502
Energy: 0.5257612157232776
Energy: 0.5294679619015559
Energy: 0.5662420895025564
Energy: 0.5627662047766745
Energy: 0.5676906794054316
Energy: 0.521326432723229
Energy: 0.5216597867239174
Energy: 0.528915940692333
Energy: 0.5626528288802543
Energy: 0.5671969109173873
Energy: 0.5214565914556571
Energy: 0.5227865641928233
Energy: 0.5286991553522018
Energy: 0.5628503467873289
Energy: 0.5288776584572008
Energy: 0.5278525015622823
Energy: 0.521822580876865
Energy: 0.5262181441821687
Energy: 0.5293151340452604
Energy: 0.5288857090029379
Energy: 0.5227408577533434
Energy: 0.521405436378744
Energy: 0.5257001841221564
Energy: 0.5260904723072772
Energy: 0.5293815993362645
Energy: 0.5658507763686689
Energy: 0.52987394726359
Energy: 0.5287501896599304
Energy: 0.5271371434790696
Energy: 0.5295766542518856
Energy: 0.5666585819851134
Energy: 0.5298462732782325
Energy: 0.5281746982548842
Energy: 0.5280359810802998
Energy: 0.5685987686076754
Energy: 0.5219943718020789
Energy: 0.5293276602795356
Energy: 0.5258363906841694
Energy: 0.5260721776139505
Energy: 0.5687361310945158
Energy: 0.5211139846553222
Energy: 0.5293969181309942
Energy: 0.5257599108430843
Energy: 0.5259412502937073
Energy: 0.5294702602035621
Energy: 0.5626348786350053
Energy: 0.5677778895736776
Energy: 0.5221609953319037
Energy: 0.5282508289400927
Energy: 0.5293966738606133
Energy: 0.5636204147763562
Energy: 0.5292890424056134
Energy: 0.5224258813310175
Energy: 0.5289897543119455
Energy: 0.529015898824897
Energy: 0.5225653137089576
Energy: 0.5287158843259991
Energy: 0.5213343454301707
Energy: 0.5630159506200972
Energy: 0.5288912221469145
Energy: 0.5294252343377545
Energy: 0.5289586130804986
Energy: 0.5211450807251287
Energy: 0.5294103478405949
Energy: 0.5293192964672934
Energy: 0.5296686800716249
Energy: 0.5637213802799335
Energy: 0.568093699863058
Energy: 0.5292939079749406
Energy: 0.5311959971516517
Energy: 0.5317761937323083
Energy: 0.5645770052955339
Energy: 0.5293184635177615
Energy: 0.5289829986626103
Energy: 0.5213042355723259
Energy: 0.5303740784035649
Energy: 0.530464282132375
Energy: 0.5678609035657498
Energy: 0.5667235664967415
Energy: 0.5214164721768044
Energy: 0.5295674708555822
Energy: 0.5209838205730506
Energy: 0.5679259500206779
Energy: 0.5627732442992776

minimum gb energy = 0.5209838205730506 eV
minimum distance =  2.54178842803582 Angstroms
sigma value = 15


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

Energy: 0.5306445275507419
Energy: 0.5831052248268057
Energy: 0.5706529402863434
Energy: 0.5443493915583523
Energy: 0.5711905980266105
Energy: 0.5177272437496432
Energy: 0.5791695766211182
Energy: 0.576649193108668
Energy: 0.5445891178774661
Energy: 0.5279280704498747
Energy: 0.5138510972661747
Energy: 0.5543976339850464
Energy: 0.52625552192983
Energy: 0.525977118831252
Energy: 0.5686560602902817
Energy: 0.5103436579979991
Energy: 0.5543787718305135
Energy: 0.5261582349753502
Energy: 0.552977384019809
Energy: 0.5420232551230729
Energy: 0.5675203389522765
Energy: 0.5257121029018371
Energy: 0.514132976090382
Energy: 0.5463514669059879
Energy: 0.5197436835870579
Energy: 0.5842470095017706
Energy: 0.5396840551775511
Energy: 0.513337875170896
Energy: 0.5384850758239526
Energy: 0.5143833496668383
Energy: 0.5146981004027892
Energy: 0.5138769731799796
Energy: 0.537596418093575
Energy: 0.5790988169361128
Energy: 0.5104665502528922
Energy: 0.5194695320881839
Energy: 0.5436924264327873
Energy: 0.538723975897483
Energy: 0.5838860777082097
Energy: 0.5154175227025336
Energy: 0.5682002545248672
Energy: 0.5514613913740845
Energy: 0.5133640460108336
Energy: 0.513555602852861
Energy: 0.5718275712797476
Energy: 0.5803899943979524
Energy: 0.5512141822729073
Energy: 0.5106283903500909
Energy: 0.5136605419343664
Energy: 0.5717187144865364
Energy: 0.5486646348708398
Energy: 0.5127702789087164
Energy: 0.5135543175528786
Energy: 0.5705835247277725
Energy: 0.6281646293279823
Energy: 0.5167121247203016
Energy: 0.5128381795710852
Energy: 0.5138330953130965
Energy: 0.5763014535867002
Energy: 0.5984120009470683
Energy: 0.5143607583264246
Energy: 0.5148672635773183
Energy: 0.5141683266909908
Energy: 0.5181860509448596
Energy: 0.5898062604481804
Energy: 0.516137747842844
Energy: 0.5140692106809542
Energy: 0.5140996102103528
Energy: 0.5199063944911144
Energy: 0.5745586566158468
Energy: 0.5481268019853421
Energy: 0.5146325468165657
Energy: 0.5421873852212052
Energy: 0.5133819238212152
Energy: 0.5630837917494854
Energy: 0.515082008462161
Energy: 0.5147658839041895
Energy: 0.5518659288918291
Energy: 0.5142087240964384
Energy: 0.5633719014566126
Energy: 0.5169751134779652
Energy: 0.6281397351098243
Energy: 0.5324765507349016
Energy: 0.5119824150280513
Energy: 0.5133532528473315
Energy: 0.5165564943978056
Energy: 0.6370208424021996
Energy: 0.536782822506908
Energy: 0.5118712208712153
Energy: 0.5137090548378319
Energy: 0.5328627324294296
Energy: 0.5167090072988964
Energy: 0.5231089380567808
Energy: 0.5214629369879142
Energy: 0.5210725117167626
Energy: 0.5235733149033556
Energy: 0.5187116112074219
Energy: 0.5231105421518647
Energy: 0.5126515141856207
Energy: 0.5213169724631467
Energy: 0.567364606080819
Energy: 0.585859947341124
Energy: 0.5188870561599094
Energy: 0.5221994184506781
Energy: 0.5188567104836429
Energy: 0.5683693322797246
Energy: 0.5430726514575934
Energy: 0.5192518637262421
Energy: 0.5185724961548549
Energy: 0.5192532058884513
Energy: 0.5919154061365978
Energy: 0.5627079982500784
Energy: 0.5568877536347518
Energy: 0.5106002457489954
Energy: 0.554024813362594
Energy: 0.5908449384956993
Energy: 0.5613565506227837
Energy: 0.5105713297951964
Energy: 0.5110805885879287
Energy: 0.5628595039574953
Energy: 0.5656497567948391
Energy: 0.5706183483313862
Energy: 0.5168447176312111
Energy: 0.5440883096695194
Energy: 0.5175658802471388
Energy: 0.5654072350916487
Energy: 0.5745630379743177
Energy: 0.5167402433634605
Energy: 0.5441874703612224
Energy: 0.5550376840335528
Energy: 0.5298445629319405
Energy: 0.5627024994914803
Energy: 0.5790593019856981
Energy: 0.5532162693607243
Energy: 0.561731201963081
Energy: 0.5287173692459769
Energy: 0.5635624005877341
Energy: 0.5046172597435474
Energy: 0.5620181777736369
Energy: 0.5601743490759242
Energy: 0.5351470512738785
Energy: 0.5209335177765391
Energy: 0.571539855482693
Energy: 0.5462060889221146
Energy: 0.5631417472795825
Energy: 0.5347933016523919
Energy: 0.52018007996176
Energy: 0.5710239238606732
Energy: 0.5214227763886106
Energy: 0.564395849197249
Energy: 0.5771331610045816
Energy: 0.5889859064066041
Energy: 0.5208100351388465
Energy: 0.5679867790956616
Energy: 0.5527655874897429
Energy: 0.5922797077855202
Energy: 0.5889993791896958
Energy: 0.5200280439650138
Energy: 0.5231421419177521
Energy: 0.5273275387712973
Energy: 0.5110253943326618
Energy: 0.5528596651929255
Energy: 0.5346801053548571
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Energy: 0.5216963978831224
Energy: 0.580512223544807
Energy: 0.5186830980562714
Energy: 0.518910215367625
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Energy: 0.51888472622231
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Energy: 0.5104218020506615
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Energy: 0.5606885181967708
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Energy: 0.5300267132980352
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Energy: 0.5426814742035504
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Energy: 0.6367203469131133
Energy: 0.5226562818874434
Energy: 0.513940027440199
Energy: 0.5772921126912332
Energy: 0.6376836287223558
Energy: 0.6360125926374776
Energy: 0.5283976926962746
Energy: 0.5130162426608624
Energy: 0.5166058294845287
Energy: 0.5155599529907635
Energy: 0.5282782192216942
Energy: 0.51416025184687
Energy: 0.517996356009534
Energy: 0.5175315301876876
Energy: 0.5369634824269036
Energy: 0.5154627421369773
Energy: 0.5151499734076911
Energy: 0.5157038564805633
Energy: 0.5142827949834133
Energy: 0.5639728300062866
Energy: 0.5561058575405362
Energy: 0.5131403639403844
Energy: 0.513129851718701
Energy: 0.5492142265889176
Energy: 0.5730864339076055
Energy: 0.5482272403881858
Energy: 0.5132510541263562
Energy: 0.5131294760885552
Energy: 0.5639374491119876
Energy: 0.5135468033460803
Energy: 0.5214206807338869
Energy: 0.5341562746293361
Energy: 0.5511086905364635
Energy: 0.5504061171742257
Energy: 0.513280964449748
Energy: 0.5155032255938317
Energy: 0.5386126809972598
Energy: 0.5596311280768089
Energy: 0.5142116106273001
Energy: 0.5141064834389666
Energy: 0.5620515159002138
Energy: 0.6398977178218618
Energy: 0.5167615981860197
Energy: 0.5102381670157189
Energy: 0.5104124988366329
Energy: 0.5579367380994755
Energy: 0.63748951260161
Energy: 0.5174220400643733
Energy: 0.5219734595353035
Energy: 0.5164224409825051
Energy: 0.5176860872905001
Energy: 0.5147719984583342
Energy: 0.5129462095511542
Energy: 0.5213868935242962
Energy: 0.5201729952931904
Energy: 0.5289477462792699
Energy: 0.5355102863574852
Energy: 0.516360709555163
Energy: 0.5135840662090401
Energy: 0.5142215162808405
Energy: 0.5904058252648962
Energy: 0.5882628444854491
Energy: 0.5849389316222462
Energy: 0.5123209513064857
Energy: 0.5354393327680061
Energy: 0.5906644333943097
Energy: 0.554652570038378
Energy: 0.5619975590123037
Energy: 0.5311973593809342
Energy: 0.5926607915319196
Energy: 0.5385640199963856
Energy: 0.549902501708516
Energy: 0.5071484757790115
Energy: 0.5206318164148078
Energy: 0.6043790176015801
Energy: 0.5136666450017333
Energy: 0.5498385037208942
Energy: 0.5068267857952871

minimum gb energy = 0.5046172597435474 eV
minimum distance =  2.50999133860246 Angstroms
sigma value = 437


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

Energy: 0.7235026665441282
Energy: 0.5026644661423798
Energy: 0.5440456168745601
Energy: 0.5348917282455236
Energy: 0.47178826300812926
Energy: 0.5225174100023996
Energy: 0.5021402515462539
Energy: 0.5453537264973897
Energy: 0.5344408670601798
Energy: 0.5607714530543217
Energy: 0.4704776041429725
Energy: 0.5408597822461725
Energy: 0.4689077131186311
Energy: 0.5670489188289358
Energy: 0.5248165390887106
Energy: 0.4718570193861088
Energy: 0.540659929085096
Energy: 0.575959333871459
Energy: 0.5420578664286407
Energy: 0.4885763750872652
Energy: 0.51862049913443
Energy: 0.5280695997220443
Energy: 0.49393121410570634
Energy: 0.4918543725675157
Energy: 0.4743090519248338
Energy: 0.5183658079840714
Energy: 0.5282984762195849
Energy: 0.4938207805893344
Energy: 0.4906818677863826
Energy: 0.47249972750517794
Energy: 0.4902745816323249
Energy: 0.49214758310548523
Energy: 0.5508469855140092
Energy: 0.47687691898827345
Energy: 0.46985566975103676
Energy: 0.490948721490622
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Energy: 0.4940856237910329
Energy: 0.519395785809535
Energy: 0.49535114680951464
Energy: 0.4768667480745184
Energy: 0.5001382050190241
Energy: 0.47768103749210356
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Energy: 0.4709675860845506
Energy: 0.47698184409961547
Energy: 0.49973373398297716
Energy: 0.4826776400452775
Energy: 0.489628001284923
Energy: 0.5166290395728755
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Energy: 0.4893094807035965
Energy: 0.49417901372068346
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Energy: 0.4959262374967595
Energy: 0.5172610502798272
Energy: 0.5172621318641171
Energy: 0.5206274999784816
Energy: 0.5149477752520228
Energy: 0.5160431682403557
Energy: 0.49108208415487015
Energy: 0.49423277644890173
Energy: 0.5199081622484358
Energy: 0.5148812357873345
Energy: 0.5152034488402216
Energy: 0.4912916549430995
Energy: 0.49471867970753003
Energy: 0.5225662119058578
Energy: 0.46944320126081907
Energy: 0.4882941647782008
Energy: 0.4883854721807307
Energy: 0.5405393204243849
Energy: 0.5276341347009125
Energy: 0.4687638962827534
Energy: 0.488366978253164
Energy: 0.48852057856412623
Energy: 0.5401921676980654
Energy: 0.48937783036663846
Energy: 0.4930429828326719
Energy: 0.49967945940011443
Energy: 0.493310513970591
Energy: 0.490163299331337
Energy: 0.48861837932599683
Energy: 0.4926927070158368
Energy: 0.4996931866807904
Energy: 0.5189640190014306
Energy: 0.48945921393817726
Energy: 0.4744467857811792
Energy: 0.4810271707627987
Energy: 0.4690004320924713
Energy: 0.4685479991294714
Energy: 0.5008758021795132
Energy: 0.4781458841816839
Energy: 0.48849549249853474
Energy: 0.4693940022745288
Energy: 0.5757936835243146
Energy: 0.50025965344812
Energy: 0.47063971151937106
Energy: 0.4679912328982926
Energy: 0.4704077710435731
Energy: 0.5157310081511474
Energy: 0.46795979136321053
Energy: 0.47137385232756
Energy: 0.4678664989413489
Energy: 0.500581443703943
Energy: 0.5158776090907007
Energy: 0.4907654798823739
Energy: 0.47321843767874383
Energy: 0.46966883368596996
Energy: 0.47341054669831406
Energy: 0.5647497950244899
Energy: 0.47227428727945886
Energy: 0.4701924551960552
Energy: 0.4689011326639888
Energy: 0.46870853517295
Energy: 0.546768559737933
Energy: 0.4709616339860473
Energy: 0.4707432254251171
Energy: 0.4695728530809026
Energy: 0.5459257593114505
Energy: 0.5423146951637099
Energy: 0.47193655394743816
Energy: 0.4695493360557867
Energy: 0.4889448560462631
Energy: 0.5470706071156582
Energy: 0.5418397995730153
Energy: 0.4715755216309851
Energy: 0.5288191679128262
Energy: 0.47505214500829485
Energy: 0.5977890038141892
Energy: 0.47512620555041957
Energy: 0.47436829430690935
Energy: 0.4687713069493524
Energy: 0.4728503603909146
Energy: 0.539377745516728
Energy: 0.4731961645667215
Energy: 0.5041411618905592

minimum gb energy = 0.4678664989413489 eV
minimum distance =  2.56280027612089 Angstroms
sigma value = 33