Model name: model_name=MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432871320217
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 4.998310445089799e-19, 5.249499697768319e-19, 5.4717215969041195e-19, 5.668757279353439e-19, 5.84355475012284e-19, 5.9983891000326e-19, 6.14719926579852e-19, 6.282999757296359e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.020083762825129914
Energy: 0.02119060035979405
Energy: 0.8889776390920255
Energy: 0.7775435198632662
Energy: 0.772059969054426
Energy: 0.2917614860054478
Energy: 0.021077295059827836
Energy: 0.020534556808120552
Energy: 0.475305779870316
Energy: 0.12927762681658445
Energy: 0.08724427148187974
Energy: 0.4800683066975164
Energy: 0.02162606703802196
Energy: 0.07536819000105387
Energy: 0.020647672475927387
Energy: 0.4762851943294014
Energy: 0.5969476694394211
Energy: 0.44688569840973275
Energy: 0.4756143002431876
Energy: 0.07382164418351339
Energy: 0.0751234678460881
Energy: 0.02249420257091504
Energy: 0.4720194944572924
Energy: 0.08956493336172598
Energy: 0.5067666109621258
Energy: 0.472753202302391
Energy: 0.0741720526672848
Energy: 0.021208495740551392
Energy: 0.0745968328608556
Energy: 0.5089560012952027
Energy: 0.1518508780019266
Energy: 0.08792097430973253
Energy: 0.47306129709828776
Energy: 0.021134356206084504
Energy: 0.07551781750212122
Energy: 0.02050771492827048
Energy: 0.4743965833137367
Energy: 0.3123272790671955
Energy: 0.4481379799008726
Energy: 0.4750248002782511
Energy: 0.07353380221026658
Energy: 0.07550939948060949

minimum gb energy = 0.020083762825129914 eV
minimum distance =  2.52753712817952 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.043993692291288
Energy: 0.9628733785323604
Energy: 0.9250655515016736
Energy: 0.9532146993646264
Energy: 0.993372752540365
Energy: 0.9667183274157602
Energy: 1.0383843955351648
Energy: 0.9133569192061421
Energy: 0.8281689503270807
Energy: 0.8887896188608797
Energy: 0.8701446345758362
Energy: 0.8212356162896761
Energy: 0.8062133948111732
Energy: 0.9165375889436804
Energy: 0.9007340551035087
Energy: 0.8586843390594286
Energy: 0.8234125484840511
Energy: 0.899496386518239
Energy: 0.8858171792624104
Energy: 0.7950029106757551
Energy: 0.928932618623363
Energy: 0.895857479653229
Energy: 0.7952958231443421
Energy: 0.916796004649622
Energy: 0.9296628201667649
Energy: 0.9298607684370714
Energy: 0.9677107831665412
Energy: 0.9418643194222746
Energy: 0.911922286592549
Energy: 0.9560453465198807
Energy: 0.9374085438206182
Energy: 0.9297921050852882
Energy: 0.8933139445336864
Energy: 0.9538494137763851
Energy: 0.9364524360197957
Energy: 1.0180531782167
Energy: 0.7887412073841819
Energy: 0.9693731056610054
Energy: 0.8506222059542549
Energy: 0.8447945941599068
Energy: 0.8415482305751824
Energy: 0.8854422773148607
Energy: 0.9314251536486439
Energy: 0.8971535077403868
Energy: 0.9550612389210642
Energy: 0.9415233503383891
Energy: 0.860391370502545
Energy: 0.9782587694207759
Energy: 0.8413938383029489
Energy: 0.9951412485274475
Energy: 0.8752595818522176
Energy: 0.7868157619631647
Energy: 0.9278319634641756
Energy: 0.854573655529372
Energy: 0.8597050740191801
Energy: 0.9382891985129229
Energy: 1.0332966358708267
Energy: 0.8882094395549407
Energy: 0.8195994584294574
Energy: 0.8104878141328534
Energy: 0.8575928222108756
Energy: 0.8734684634667929
Energy: 0.8815587338972548
Energy: 0.9054405077401286
Energy: 0.915022250586919
Energy: 0.8988179572138338
Energy: 0.929256841662949
Energy: 0.9799745929368805
Energy: 0.8815899196246113
Energy: 0.9267014409200245
Energy: 0.8882371632657632
Energy: 0.996406469666384
Energy: 0.8492572833421207
Energy: 0.9852878156838931
Energy: 0.9499415567615879
Energy: 0.9314660061162002
Energy: 0.993444039584516
Energy: 1.0418665807633498
Energy: 0.7814656347073172
Energy: 0.8458402025965218
Energy: 0.8780945039735117
Energy: 0.7824485924172428
Energy: 0.8826380728873338
Energy: 0.8951737163600618
Energy: 0.9157518013293037
Energy: 0.8559043402124755
Energy: 0.880125047158231
Energy: 0.8820860998173564
Energy: 0.903866025473939
Energy: 0.8304936347533735
Energy: 0.8641419565955892
Energy: 0.9250267631409766
Energy: 0.9777124688313595
Energy: 0.9310371511056068
Energy: 0.944616217870129
Energy: 0.8787979858508459
Energy: 1.0535097200071026
Energy: 0.9754105076410485
Energy: 0.906269729844501
Energy: 0.8386748958775189
Energy: 1.0316909292517074
Energy: 0.8253410960444111
Energy: 0.9442396770667085
Energy: 0.9086062779314491
Energy: 0.921585966138258
Energy: 0.904651610530545
Energy: 0.8673029257886444
Energy: 0.8848833031279816
Energy: 0.8429237549805049
Energy: 0.8764388043468438
Energy: 0.8680404299324054
Energy: 0.9122275632142164
Energy: 0.9929903221231279
Energy: 0.9275991121660584
Energy: 1.0130882444520757
Energy: 0.9395740889152765
Energy: 0.9072464544123021
Energy: 1.0423824117705738
Energy: 1.00781582059976
Energy: 1.0414263777515154
Energy: 0.8832574868963543
Energy: 0.9227383923985224
Energy: 0.8553461019680146
Energy: 0.9068985830391658
Energy: 0.977429456735147
Energy: 0.8590933361556792
Energy: 0.9773820505887474
Energy: 0.8765560938268194
Energy: 0.8603207588400309
Energy: 0.8610983758579109
Energy: 0.8719950480272735
Energy: 0.845407217517997
Energy: 0.8766963513574656
Energy: 0.9768449353020394
Energy: 0.8937539009034833
Energy: 0.9452065000878208
Energy: 0.8711123548868466
Energy: 0.8905066368791129
Energy: 1.0394979652733458
Energy: 1.025093783787776
Energy: 0.9151196862075305
Energy: 0.8860318286415805
Energy: 0.8590421303771955
Energy: 0.9267441553104773
Energy: 0.9729375774486847
Energy: 0.8804226429795355
Energy: 0.9304513228396671
Energy: 0.911419066400786
Energy: 0.8456453068040511
Energy: 0.8092535928274502
Energy: 0.8500480094317849
Energy: 0.8261801400164996
Energy: 0.8794375061718661
Energy: 0.8805815815103565
Energy: 0.9145249855381558
Energy: 0.9326704481715106
Energy: 0.9093137823938054
Energy: 0.9557224834032189
Energy: 0.9621116812625554
Energy: 0.8760696851485137
Energy: 0.9081432236614837
Energy: 0.8788427868476721
Energy: 0.955480842795124
Energy: 0.9019500543488882
Energy: 0.9805306471413903
Energy: 1.0173131844474008
Energy: 0.8730100631160037
Energy: 1.0536165158746438
Energy: 0.9101605960641252
Energy: 0.8823781616677051
Energy: 0.8506370392309194
Energy: 0.7734749824042327
Energy: 0.8420404688979162
Energy: 0.8795735806953052
Energy: 0.9095109871787738
Energy: 1.0346383930894336
Energy: 0.9070464921928983
Energy: 0.8255336262484041
Energy: 0.8661151092427823
Energy: 0.9713188094803602
Energy: 0.78166776328859
Energy: 0.8826024605176341
Energy: 0.8796089941227508
Energy: 0.8278492957797453
Energy: 0.9068451827896221
Energy: 0.9738913585543492
Energy: 0.9734485261492888
Energy: 0.9002162870906268
Energy: 0.8538400125441226
Energy: 0.9027892387082584
Energy: 0.9240947535297239
Energy: 1.0131012511259483
Energy: 0.8671111383738728
Energy: 0.8161445137336419
Energy: 0.8309372231528653
Energy: 0.883245892305744
Energy: 0.9403517046088625
Energy: 0.8934826504370785
Energy: 0.8888932296041907
Energy: 0.8346210733782532
Energy: 0.8236015934793344
Energy: 0.8777915746150572
Energy: 0.9248123355541411
Energy: 0.9135905065452709
Energy: 0.881337515663223
Energy: 0.9053179517481414
Energy: 0.9249462388573834
Energy: 0.9132762373395624
Energy: 0.8691838682517676
Energy: 0.8309497110452196
Energy: 0.9284887322131401
Energy: 0.9059131452315312
Energy: 0.8777027599655662
Energy: 0.8229060434977097
Energy: 0.9136564236371625
Energy: 0.8141636807855736
Energy: 0.9245246115671474
Energy: 0.9044923880649908
Energy: 0.8658155356883525
Energy: 0.8293045177165332
Energy: 0.8289756424802842
Energy: 0.806435454955572
Energy: 0.8745970425193041
Energy: 0.8642773825810878
Energy: 0.9094232635592284
Energy: 1.0268055292100804
Energy: 0.8891324374786189
Energy: 1.040515341949637
Energy: 0.9002777553255735
Energy: 0.9340966376391479
Energy: 1.0115149008813946
Energy: 0.8371355489201568
Energy: 0.8876493912931063
Energy: 0.9475560539502662
Energy: 0.948233274879918
Energy: 0.973126019013124
Energy: 0.8911666226890832
Energy: 0.9395181102011252
Energy: 0.9066980693165114
Energy: 0.8305444525937958
Energy: 0.8638442535169866
Energy: 0.8500224558981543
Energy: 0.8353028516091701
Energy: 0.8820002437658314
Energy: 0.8440504425749755
Energy: 0.8915916892150502
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Energy: 0.9025541843255115
Energy: 0.9072516771426822
Energy: 0.8669315460108834
Energy: 0.9024028953930744
Energy: 0.9109943696757732
Energy: 0.9170427322679756
Energy: 0.8700685438800384
Energy: 0.9777646614367107
Energy: 0.8892164860296037
Energy: 0.8735264898958934
Energy: 1.053869682131409
Energy: 0.9025043031602697
Energy: 1.0003237555368176
Energy: 0.889069132361758
Energy: 0.8798076042060983
Energy: 0.8821150833579571
Energy: 0.9038883824025372
Energy: 0.7941728070109411
Energy: 0.8561197409195858
Energy: 1.0131578122260851
Energy: 0.8808921274175794
Energy: 0.9112816999594197
Energy: 0.8593636684204204
Energy: 0.9212859126760105
Energy: 0.9692210651279219
Energy: 0.9192571095347549
Energy: 0.9714865451018958
Energy: 0.9423307584180566
Energy: 0.9664989575071591
Energy: 0.9007644323892884
Energy: 0.9373440210034893
Energy: 1.0933166823073852
Energy: 0.966337884201849
Energy: 0.8819579037680852
Energy: 0.8451688711611369
Energy: 0.8787958942623038
Energy: 0.8608659563861059
Energy: 0.8669209095496778
Energy: 0.9436318916593796
Energy: 0.8641389731424025
Energy: 0.8995507103424771
Energy: 0.8112347777746612
Energy: 0.8795322802149064
Energy: 0.8325982321968718
Energy: 0.8681879981419899
Energy: 0.8136271396323266
Energy: 0.8973686253455957
Energy: 0.9922678583982533
Energy: 0.9693135691206622
Energy: 0.9929286393746997
Energy: 0.9037826659302581
Energy: 0.9110159952334187
Energy: 1.0317437590532532
Energy: 0.7881882731686461
Energy: 0.8949707259365148
Energy: 0.8286611717101514
Energy: 0.8628980269366278
Energy: 0.8755321124480405
Energy: 0.9068821087807152
Energy: 0.9040525863969028
Energy: 0.8353860530660853
Energy: 1.0096795897858635
Energy: 0.8054071336697303
Energy: 0.8354182521570789
Energy: 0.8326338790850546
Energy: 0.8333884303754079
Energy: 0.8476495672474446
Energy: 0.8805951669908695
Energy: 0.8711230020714857
Energy: 0.8627537717147481
Energy: 0.897735797460066
Energy: 0.9632266174923517
Energy: 0.8950570636926639
Energy: 0.9019903623193408
Energy: 0.9829119977001077
Energy: 0.8675537636146962
Energy: 0.9651500034349905
Energy: 0.9361844832411806
Energy: 0.8733337388108158
Energy: 0.957402765552438
Energy: 0.8744960187467705
Energy: 0.9536084772267126

minimum gb energy = 0.7734749824042327 eV
minimum distance =  2.22837751372308 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.10928242188694
Energy: 0.9520144517950383
Energy: 0.9368160513858751
Energy: 0.9714395515792172
Energy: 1.1105160404875816
Energy: 0.8987136642685278
Energy: 0.947698063321129
Energy: 0.9928808889108904
Energy: 0.837996901976664
Energy: 0.786977074342082
Energy: 0.929246103153748
Energy: 0.8162501472333601
Energy: 0.8060939742988321
Energy: 0.9589177278680706
Energy: 0.9788076553580071
Energy: 0.8895699595960739
Energy: 0.8142521455997631
Energy: 0.8875494651600939
Energy: 0.8771866377981041
Energy: 0.8614596210471535
Energy: 0.8480796200713722
Energy: 0.9510068550879769
Energy: 0.9250037584853165
Energy: 1.008588711677425
Energy: 0.9209134730877312
Energy: 0.8596871310048033
Energy: 0.9606794440739587
Energy: 1.0312150526012804
Energy: 0.9243937331203272
Energy: 0.768277707551663
Energy: 0.9176451647662573
Energy: 0.8847471211589706
Energy: 0.8623683590982397
Energy: 0.9239928204691982
Energy: 0.9898068090828152
Energy: 0.9191078194133412
Energy: 0.7627601334065071
Energy: 0.8921370514739263
Energy: 0.8794118615975877
Energy: 0.8686929489891637
Energy: 0.9014505128982739
Energy: 0.9064288240051134
Energy: 0.9456881232340698
Energy: 0.8793446511738201
Energy: 1.025136696156418
Energy: 0.9045266672907155
Energy: 0.895743253432864
Energy: 0.9400379818211285
Energy: 0.8820310645723515
Energy: 0.9028542000803284
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Energy: 0.9529504936402938
Energy: 0.8953133194740225
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Energy: 0.9612893154568037
Energy: 0.9111738831140387
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Energy: 0.8878606235868951
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Energy: 0.9003068658205096
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Energy: 0.8904529322066496
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Energy: 0.8946532661129298
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Energy: 0.9687283788504018
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Energy: 0.8212063248128695
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Energy: 0.8207671762787194
Energy: 0.8759617188034649
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Energy: 0.8229069789822382
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Energy: 0.9041681804530953
Energy: 0.9639192080879718
Energy: 0.9892295649962299
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Energy: 0.8551549619115569
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Energy: 0.9221108230020737
Energy: 0.7727013431167341
Energy: 0.9021106759384184
Energy: 0.8678672532925505
Energy: 0.8695730748074244
Energy: 0.8833238258439808
Energy: 0.9484995168345584
Energy: 0.9153973252821141
Energy: 0.7718096228971413
Energy: 0.9462240387441153
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Energy: 0.9400474802840292
Energy: 0.9747338837372017
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Energy: 1.0126985177016659
Energy: 0.9161182316666515
Energy: 0.8823016018129783
Energy: 0.9217350283881721
Energy: 0.8845902426405345
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Energy: 0.8767292079457939
Energy: 0.9762422940755829
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Energy: 0.8888176371656925
Energy: 0.7907247187551611
Energy: 0.825594378705422
Energy: 1.1441071494910928
Energy: 0.8072518852496924
Energy: 0.7664785382582936
Energy: 0.9295639994279887
Energy: 0.9159779934248881
Energy: 0.9029237961050952
Energy: 0.9021124315474803
Energy: 1.0883345039341799
Energy: 0.8836306423126226
Energy: 0.9171493581128901
Energy: 0.9701454141606248
Energy: 0.8691953296743495
Energy: 0.9062149130637673
Energy: 0.8530006722693889
Energy: 0.9489480975142843
Energy: 0.8430804376816208
Energy: 0.8331128026815168
Energy: 0.9305290308369367
Energy: 1.0145839872138227
Energy: 1.0097823737153375
Energy: 0.8549034153653705
Energy: 1.1116309930523387
Energy: 0.9095776356074151
Energy: 0.821950365973201
Energy: 0.8949451454487584
Energy: 0.9155005755768938
Energy: 0.9675509895156658
Energy: 0.9358009656859705
Energy: 0.9246644299774387
Energy: 0.8939803649507502
Energy: 0.9283523842242631
Energy: 0.9811368121638571
Energy: 0.9736634164408287
Energy: 0.9000957293430776
Energy: 1.004523715902563
Energy: 0.8830590141248956
Energy: 0.907735246148403
Energy: 0.879591814902711
Energy: 0.8635920821476921
Energy: 0.9412803612692502
Energy: 0.7490265002542078
Energy: 0.9358716355257277
Energy: 0.90881738173972
Energy: 0.8690870102003642
Energy: 0.7691789199208057
Energy: 0.9032228015880402
Energy: 0.9596157524214326
Energy: 0.7781149984972244
Energy: 0.8888267584854934
Energy: 0.8771634025200566
Energy: 0.871451079566086
Energy: 0.8889488925377693
Energy: 0.9550430160569053
Energy: 0.9386421986457596
Energy: 0.9386928247937462
Energy: 0.9976017702284588
Energy: 0.8882362476031025
Energy: 0.8684948234537314
Energy: 0.932795915661364
Energy: 0.8904203129300295
Energy: 0.920237845643246
Energy: 0.8494638871970331
Energy: 0.8026052462550806
Energy: 0.9014893591670747
Energy: 0.9141862381894909
Energy: 0.9010481170288653
Energy: 0.7835407063932099
Energy: 0.9908591992635843
Energy: 0.8277934990084114
Energy: 0.8584089736649966
Energy: 0.9021849615801455
Energy: 0.7949315267983392
Energy: 0.83929625312302
Energy: 0.895116774931566
Energy: 0.887949941732106
Energy: 0.9962659451972846
Energy: 0.900934234459243
Energy: 0.9766707549865018
Energy: 0.849729113732451
Energy: 0.9453202741343177
Energy: 0.9450491051211928
Energy: 1.0155360923031065
Energy: 0.8213399964267075
Energy: 0.8574833614605276
Energy: 0.858080774403403
Energy: 0.9251242184672598
Energy: 0.8206214923317259
Energy: 0.9126493282133553
Energy: 0.8691200504605916
Energy: 0.8889851453409241
Energy: 0.8670291911565106
Energy: 1.22443999329782
Energy: 0.9042627041729434
Energy: 0.8655153468121534
Energy: 0.952189204347304
Energy: 0.9219748059071976
Energy: 0.8577307529468712
Energy: 0.9325835665152675
Energy: 0.9152340790711522
Energy: 0.954209538954739
Energy: 0.937524668148715
Energy: 0.9631085794346174
Energy: 0.8912830338817007
Energy: 0.8711465079972125
Energy: 1.0033755172378174
Energy: 0.8813383180145193
Energy: 0.9020876535350069
Energy: 0.8604012710948125
Energy: 0.8815952041990595
Energy: 0.8468046026621002
Energy: 0.9054991828998284
Energy: 0.9741971818333596
Energy: 0.9234980064287186
Energy: 0.8188232008032843
Energy: 0.9220450696992426
Energy: 0.876718542123153
Energy: 1.015088043519052
Energy: 0.9953668674276079
Energy: 0.8969392366575537
Energy: 0.9490002070230205
Energy: 0.8865888308253257
Energy: 0.9701182652499196
Energy: 1.0438065882271723
Energy: 0.8684091437443918
Energy: 0.9163166415535898
Energy: 0.990071031191457
Energy: 0.9242539388361789
Energy: 0.8663686000504361
Energy: 0.9578560610574482
Energy: 0.9076601569915349
Energy: 0.8986765995780863
Energy: 0.819740539619428
Energy: 1.023590098943799
Energy: 0.923670495803852
Energy: 0.9105927361040342
Energy: 0.926111371204816
Energy: 0.8522663037164756
Energy: 0.9763974493280854
Energy: 0.8640361395233558
Energy: 1.0293872875586034
Energy: 0.9226142242561184
Energy: 1.0048194209105348
Energy: 0.9116729924271956
Energy: 0.978423147392454
Energy: 0.9217254920754061
Energy: 0.8568449643599829
Energy: 0.8930790454427252
Energy: 0.9273499569537031
Energy: 0.8791322876114777
Energy: 0.8826038108217933
Energy: 0.9210080957953595
Energy: 1.0166816480990364
Energy: 0.8052874261760341
Energy: 0.8400250766900746
Energy: 0.9415041725280824
Energy: 0.7499662940012328
Energy: 0.8470332388377211
Energy: 0.8698533618308925

minimum gb energy = 0.7490265002542078 eV
minimum distance =  2.29877256896055 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9307112932091234
Energy: 0.899953804931198
Energy: 1.0472966160377954
Energy: 0.8805353270283187
Energy: 0.9241152427665101
Energy: 0.9071293570051484
Energy: 0.8956468483695773
Energy: 0.8287602230223372
Energy: 0.945880412977954
Energy: 0.843442761642325
Energy: 0.851898398038943
Energy: 0.9467432495605749
Energy: 1.0020347820352056
Energy: 0.9677459671543583
Energy: 0.8632352153380277
Energy: 0.9195890636469173
Energy: 0.9030064310459285
Energy: 0.9316991314163668
Energy: 0.9407006301361434
Energy: 0.9927005410862031
Energy: 0.8807864245737804
Energy: 0.9108621951984917
Energy: 0.94660422337043
Energy: 0.9424613998767422
Energy: 0.962989978789719
Energy: 0.9012035285673677
Energy: 0.8454187242336144
Energy: 0.8393907272267951
Energy: 1.0085205991526713
Energy: 0.901681177080802
Energy: 0.9005021053293443
Energy: 0.8398286053256762
Energy: 0.8967056388360835
Energy: 0.8177800006655922
Energy: 0.8697289296026833
Energy: 0.8533123227007635
Energy: 0.8201982530347331
Energy: 0.8832373767514987
Energy: 0.8366240684890643
Energy: 0.8624905181034505
Energy: 0.8496384341926658
Energy: 0.8305146076826989
Energy: 0.9220401003310946
Energy: 0.9456103022626576
Energy: 0.9308527633300067
Energy: 0.9449577714197379
Energy: 0.9257074548432564
Energy: 0.8968399798800131
Energy: 0.9050059170480369
Energy: 0.8880499160439705
Energy: 0.9488840599036457
Energy: 0.9362931616988486
Energy: 0.8743184470831663
Energy: 0.9717653451891244
Energy: 1.0291453530095187
Energy: 0.8127522711205173
Energy: 0.9230324549607701
Energy: 0.9245689705080103
Energy: 0.8251876158541046
Energy: 0.918180098126714
Energy: 0.8827103246656238
Energy: 0.9129100380508173
Energy: 0.8276476284730805
Energy: 0.8533613343560531
Energy: 0.9359100702479465
Energy: 0.9375894279225034
Energy: 0.8973903228506268
Energy: 0.8443717697634643
Energy: 0.905986271978755
Energy: 0.8819798085298203
Energy: 0.8981080826457027
Energy: 0.9538354633700019
Energy: 0.8830111931785165
Energy: 0.8613227580494841
Energy: 0.8319091904578918
Energy: 0.7779732031483614
Energy: 0.857759375242327
Energy: 0.8382174819990342
Energy: 0.9026186576504078
Energy: 0.8247744352449988
Energy: 0.8263372035238784
Energy: 0.8977988037779095
Energy: 0.8215600258870481
Energy: 0.812417321462495
Energy: 0.8859131859517609
Energy: 0.896890787422403
Energy: 0.9326616672609078
Energy: 0.9161517865371316
Energy: 0.8609254741128713
Energy: 0.885253622484414
Energy: 0.9386267058073176
Energy: 0.9104331667244575
Energy: 0.9573296879342756
Energy: 0.9164163189674863
Energy: 0.9399178272344463
Energy: 0.9018422873813906
Energy: 0.8986318552327768
Energy: 0.8382343746064007
Energy: 0.9652749415935634
Energy: 0.9298470072331391
Energy: 0.9224232158041986
Energy: 0.9566273561083448
Energy: 0.9034113419723806
Energy: 0.9336712774929087
Energy: 0.8395941900185698
Energy: 0.8218501640767666
Energy: 0.9015760717139023
Energy: 0.9417183954655334
Energy: 0.841295503289348
Energy: 0.8500832170279066
Energy: 0.8997827633338169
Energy: 0.859432817969124
Energy: 0.9632370683772358
Energy: 0.8677511238230359
Energy: 0.9035245851453669
Energy: 0.9239904126813401
Energy: 0.8898390712235518
Energy: 0.9464103339662477
Energy: 0.9278945524263758
Energy: 0.8887018511532734
Energy: 0.8215646340829578
Energy: 0.8463336742185986
Energy: 0.802979970646963
Energy: 0.897728839034381
Energy: 0.8736076015012546
Energy: 0.8489236810025949
Energy: 0.934462410920927
Energy: 0.8672717577929506
Energy: 0.9786727090113924
Energy: 0.8947696832489134
Energy: 0.9128660788246366
Energy: 0.8656296223898622
Energy: 0.8774033600206734
Energy: 0.5487584324543372
Energy: 0.8357540255694856
Energy: 0.9349051810017873
Energy: 0.8561330493823114
Energy: 0.8406038098709201
Energy: 1.083041619560473
Energy: 0.8662722389631407
Energy: 0.9518848505395381
Energy: 0.8803712266847984
Energy: 0.9689400341948892
Energy: 0.9534947842584536
Energy: 0.9120367972205544
Energy: 0.9536461041205201
Energy: 0.8915520852515547
Energy: 0.7695342910296181
Energy: 0.8870693068681518
Energy: 0.8190366741305426
Energy: 0.8308387284711292
Energy: 0.8210245551399604
Energy: 0.9341079254488789
Energy: 0.8248165517764257
Energy: 0.8727923569777546
Energy: 0.896207384377094
Energy: 0.9171960777430325
Energy: 0.6851854987968773
Energy: 0.9470961103199407
Energy: 0.9001389561756532
Energy: 0.8986183555030424
Energy: 1.004844470516239
Energy: 0.854908253024127
Energy: 0.8462954857441807
Energy: 0.8297200502911648
Energy: 0.8112002341869019
Energy: 0.8230036208469298
Energy: 0.8318967337074419
Energy: 0.9505867184125308
Energy: 0.9877418502989023
Energy: 0.9095314994212366
Energy: 0.9520682968897134
Energy: 0.8445727633477249
Energy: 0.8506017430109404
Energy: 0.8467917416451134
Energy: 1.0518174477958293
Energy: 1.0255322606020068
Energy: 0.8049978119877049
Energy: 0.960273866932753
Energy: 0.8894262769670268
Energy: 1.0068315110371855
Energy: 0.8783210554997385
Energy: 0.9244788338434616
Energy: 0.8848654727804295
Energy: 0.9658587214803073
Energy: 0.8941158247888676
Energy: 0.8508455080971966
Energy: 0.929419013490627
Energy: 0.9164062670342676
Energy: 0.9179392297779271
Energy: 0.8325778618413592
Energy: 0.9228480015814263
Energy: 0.747015838116659
Energy: 0.8326727409468738
Energy: 0.8842801892359373
Energy: 0.8354954142904728
Energy: 0.9426053475436307
Energy: 0.9618461651275085
Energy: 0.8949673232381978
Energy: 0.9022045295462924
Energy: 0.8589654106625707
Energy: 0.7209123718668762
Energy: 0.8427467063793663
Energy: 0.9008837082151182
Energy: 0.8868003238370051
Energy: 0.9574229640014941
Energy: 0.8204075475252319
Energy: 0.838306310983915
Energy: 0.8367537280376743
Energy: 0.850433628079532
Energy: 0.9237794162193235
Energy: 0.926860407472918
Energy: 0.8293406675524377
Energy: 0.9441760998382928
Energy: 0.885869833244232
Energy: 0.8708669182306658
Energy: 0.91309730835746
Energy: 0.8818387120499516
Energy: 1.0289645215419871
Energy: 0.9330553511111638
Energy: 0.9362993156698983
Energy: 0.9860746275012537
Energy: 1.031435161472673
Energy: 0.8939808225403247
Energy: 0.7953126651303802
Energy: 0.9646630388582956
Energy: 0.9580185799713782
Energy: 0.9230551431360533
Energy: 0.8802648041038252
Energy: 0.9014637118870023
Energy: 0.9296250510041728
Energy: 0.9133121549979237
Energy: 0.8599425771933051
Energy: 0.8857412740089218
Energy: 0.8253811053223878
Energy: 0.8762048534252864
Energy: 0.9645079941471362
Energy: 0.8361647926951632
Energy: 0.9453615899410754
Energy: 0.862629393014558
Energy: 0.9263055445827856
Energy: 0.7883907021801849
Energy: 0.8347289744262616
Energy: 0.8775609977343793
Energy: 0.9394662240916157
Energy: 0.9285201956318727
Energy: 0.8892049490784784
Energy: 0.946011669905105
Energy: 0.8791054972235115
Energy: 0.8273081487068912
Energy: 0.8891542745109742
Energy: 0.8183856835299695

minimum gb energy = 0.5487584324543372 eV
minimum distance =  2.31933260167189 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9788324083240474
Energy: 0.8732556079960927
Energy: 0.8903781767023631
Energy: 1.1378797971527153
Energy: 0.7827316454085468
Energy: 0.7933495588030801
Energy: 0.9728758055079941
Energy: 0.8089019959837943
Energy: 0.7081104937120757
Energy: 0.8460364821828378
Energy: 0.7144199964679947
Energy: 1.0299152774086617
Energy: 0.9911052163275164
Energy: 0.9851657450658065
Energy: 0.7954858784348955
Energy: 0.9672919484476399
Energy: 0.9211794249912776
Energy: 0.8188976980638847
Energy: 0.9857945543427071
Energy: 0.9919428491496436
Energy: 0.9280788495592263
Energy: 0.8241503766253082
Energy: 0.8869462092650645
Energy: 0.7519224429413331
Energy: 0.6762145039581136
Energy: 0.8703908583210019
Energy: 0.8363192377159498
Energy: 0.9839203175361357
Energy: 1.02377712116302
Energy: 1.023840834379932
Energy: 0.8653594005960155
Energy: 0.888333746537344
Energy: 0.6621349655654902
Energy: 0.9294688356827179
Energy: 0.918303295475944
Energy: 0.807409431681772
Energy: 0.8914713048463364
Energy: 0.8472487257946689
Energy: 0.878597186628503
Energy: 0.7627089379510006
Energy: 0.7631239009785115
Energy: 0.9457597562086649
Energy: 0.8257377524111822
Energy: 0.8855406779542936
Energy: 0.8865763830585863
Energy: 0.8834021141082963
Energy: 0.9710115046367164
Energy: 0.961752539744773
Energy: 0.9918400092163551
Energy: 0.9629603196418489
Energy: 0.8468051449338861
Energy: 0.9527255704611372
Energy: 0.7039358473454221
Energy: 0.7529155306277113
Energy: 0.7870203078870844
Energy: 0.8313333688797904
Energy: 0.9628700166337189
Energy: 0.8468588746633571
Energy: 0.7245986517411908
Energy: 0.8831353208724648
Energy: 0.7418344876045591
Energy: 0.853022635661904
Energy: 0.7885024118621545
Energy: 0.8313863717739018
Energy: 0.7364292807181266
Energy: 0.8454034193040126
Energy: 0.9464793084235403
Energy: 1.030414219595778
Energy: 1.0085068621861348
Energy: 0.9941634070881482
Energy: 0.824365420121663
Energy: 0.9369614636902395
Energy: 0.7478406673793948
Energy: 0.6777360361398668
Energy: 0.9349646546156283
Energy: 0.9225836263501174
Energy: 0.7408759049897196
Energy: 0.9296825062549875
Energy: 1.0289926618910856
Energy: 0.7305078036432398
Energy: 0.8034500594476502
Energy: 0.7168361942291187
Energy: 0.7213935137997655
Energy: 0.9854732925833348
Energy: 0.969846655052
Energy: 1.023106418221756
Energy: 0.9321359274975887
Energy: 0.8372623661371599
Energy: 0.868275389027454
Energy: 0.8215255584782357
Energy: 0.9915369657196949
Energy: 0.8288952072886367
Energy: 0.8437366780932305
Energy: 0.8393891020351046
Energy: 0.8235336863784001
Energy: 0.9726027033080663
Energy: 0.970708517400385
Energy: 0.9978488850692708
Energy: 0.8089523401049132
Energy: 0.7080030816592342
Energy: 0.8383705455597226
Energy: 0.9511278003291472
Energy: 0.9729738828733375
Energy: 0.8103158389335611
Energy: 0.9295570564117804
Energy: 0.9788927233942359
Energy: 0.6850224703825694
Energy: 0.8894486643649143
Energy: 0.8571305516816315
Energy: 0.7826190533822468
Energy: 0.7920629375984211
Energy: 0.9715361063744878
Energy: 0.9142041835216241
Energy: 0.7076542355801871
Energy: 0.8636594453998914
Energy: 0.8745857348998753
Energy: 1.0286733424858596
Energy: 0.9913056625718168
Energy: 0.9840974030672588
Energy: 0.8676855456860068
Energy: 0.9670366090060079
Energy: 0.9220617227796084
Energy: 0.8184541309613592
Energy: 0.9861343306334137
Energy: 0.9925202383878682
Energy: 0.9032281074348514
Energy: 1.0260164470524835
Energy: 0.8858829982014977
Energy: 0.7518673188164644
Energy: 0.7294876449550787
Energy: 0.869465949518048
Energy: 0.8447194966608109
Energy: 0.9840321867122787
Energy: 1.0230664599854886
Energy: 1.022901760278932
Energy: 0.8670792273783929
Energy: 0.8876223174040911
Energy: 0.7358696419287252
Energy: 0.8552683204639308
Energy: 0.9922573337188408
Energy: 0.8066741876347405
Energy: 0.8902659888309477
Energy: 0.8467165019102826
Energy: 0.8783827923193213
Energy: 0.7629098036949109
Energy: 0.9019252030386067
Energy: 0.9460313136633118
Energy: 0.8260232063654704
Energy: 0.7135748195649735
Energy: 0.8868041743939887
Energy: 0.8832466403175995
Energy: 0.9721831762384421
Energy: 0.9621708516913324
Energy: 0.9924905155424625
Energy: 0.9630029941812845
Energy: 0.8467826691405173
Energy: 0.8836846121582692
Energy: 0.7044936713924179
Energy: 0.752470009227071
Energy: 0.787373282743659
Energy: 0.8310550578024467
Energy: 0.9630475172086067
Energy: 0.8476738436334906
Energy: 0.9203868568779748
Energy: 0.8822386472632232
Energy: 0.7418171494262957
Energy: 0.7963304794529646
Energy: 0.9452264405449273
Energy: 0.8227876323969164
Energy: 0.7354829258735793
Energy: 0.8543081535423283
Energy: 0.9462670313253418
Energy: 1.0299702960493209
Energy: 0.9930179500574918
Energy: 0.9939983556900819
Energy: 0.8240100438233388
Energy: 0.9362863044541478
Energy: 0.7478650995497154
Energy: 0.6780069997699653
Energy: 0.9348614734797198
Energy: 0.8371083427547552
Energy: 0.7405167327816989
Energy: 0.9286075057489431
Energy: 1.0299688630645478
Energy: 0.7283795149165397
Energy: 0.8044087598674229
Energy: 0.717084354951944
Energy: 0.7884256854719155
Energy: 0.9852915261288628
Energy: 0.9602256380492614
Energy: 1.0229322093742605
Energy: 0.9327406271206214
Energy: 0.8371658527117555
Energy: 0.7039846616938856
Energy: 0.8670509315301501
Energy: 0.9917230622170218
Energy: 0.8294538479364363
Energy: 0.8437451122199632
Energy: 0.8369072619872605
Energy: 0.8280158654407018
Energy: 0.9726223335347077
Energy: 0.9702770959624393
Energy: 0.9934016210741371
Energy: 0.8093048195542677
Energy: 0.7080565014873974
Energy: 0.83841616432595
Energy: 0.8803521616739641
Energy: 0.9728703126741884
Energy: 0.8991109799585276
Energy: 0.901362085567116

minimum gb energy = 0.6621349655654902 eV
minimum distance =  2.22910426317857 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.2101092235621491
Energy: 0.4199940832479228
Energy: 0.8425480504308637
Energy: 1.2743692418592714
Energy: 0.8818795401014657
Energy: 0.8715351352783695
Energy: 0.9630998174721593
Energy: 0.8983612683528045
Energy: 0.8658234819534831
Energy: 0.9043230625841894
Energy: 0.86863496661002
Energy: 0.918868280170236
Energy: 0.9249993227594092
Energy: 0.9129677401267445
Energy: 0.867177397898521
Energy: 0.7722695522069098
Energy: 0.8159720791863013
Energy: 0.9110451640088073
Energy: 0.9621202696283817
Energy: 0.8988071082219826
Energy: 0.8466978519270929
Energy: 0.8020015905023467
Energy: 0.8806849567634649
Energy: 0.9987611353967812
Energy: 0.699142589929835
Energy: 0.9765651829075075
Energy: 0.9874436743450934
Energy: 0.7540889364660168
Energy: 0.8480861326399269
Energy: 0.9045260374008942
Energy: 0.9246156679647859
Energy: 0.7053182573712868
Energy: 0.8306338291598706
Energy: 0.8676666189485049
Energy: 0.8627007849972677
Energy: 0.8110862039689117
Energy: 0.7330653694951214
Energy: 1.0175090318957165
Energy: 0.8246587230668757
Energy: 0.6581074806106355
Energy: 0.8832570449709457
Energy: 0.8485600270866916
Energy: 0.8641672008986282
Energy: 0.7316118975584285
Energy: 0.9875278214153153
Energy: 1.0085470507852548
Energy: 0.8320965361080503
Energy: 0.8296922173321233
Energy: 0.8585426564273811
Energy: 0.8602236529093108
Energy: 0.7024927368030391
Energy: 0.8148668302098279
Energy: 0.7980343140173977
Energy: 0.9025203375401077
Energy: 0.8468198063425117
Energy: 0.7649350522347427
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Energy: 0.9243847389242799
Energy: 0.8882812971976828
Energy: 0.7393637465953253
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Energy: 0.7895845129301519
Energy: 0.8561910636212159
Energy: 0.5294860717792875
Energy: 0.866783128085545
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Energy: 0.9401563156397943
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Energy: 0.8247431162791597
Energy: 0.8183804082703898
Energy: 0.8154624682043435
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Energy: 0.9616523892664034
Energy: 0.9048659403437846
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Energy: 0.9153769413246734
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Energy: 0.8633344684163564
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Energy: 0.8610408183867667
Energy: 0.7700687996348331
Energy: 0.6803182481559022
Energy: 0.726864085438414
Energy: 0.9073610802907462
Energy: 0.8551804589266009
Energy: 0.7956131516568089
Energy: 0.8720369031739844
Energy: 0.9447209891928176
Energy: 0.8804144320119086
Energy: 0.8415746705562736
Energy: 0.9696751721128946
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Energy: 0.8265977075750306
Energy: 0.8489787607635062
Energy: 0.7930990964256109
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Energy: 0.704543746860143
Energy: 0.864021826141711
Energy: 0.8176588393272778
Energy: 0.8493900919010957
Energy: 0.8089917769910024
Energy: 0.9240272766269009
Energy: 1.0989426167792062
Energy: 0.6578803912333113
Energy: 0.731437344950626
Energy: 0.8016140994938967
Energy: 0.895649361979071
Energy: 0.2957087643460518
Energy: 0.7710533053534764
Energy: 0.8703546685700694
Energy: 0.8813791794814905
Energy: 0.8856699619919841
Energy: 0.8105008016831922
Energy: 0.7631234043292229
Energy: 0.5099317477728103
Energy: 0.7628346423130019
Energy: 0.818330179461013
Energy: 0.8304374537841226
Energy: 0.8141351493658091
Energy: 0.8451603882044316
Energy: 0.7756821818317428
Energy: 0.8732790762409571
Energy: 0.8951466299282343
Energy: 0.7008651505237619
Energy: 0.8889181699221274
Energy: 0.7326914974219844
Energy: 0.7895080657616474
Energy: 0.9490132111583942
Energy: 0.9010608706475037
Energy: 0.8318755746941329
Energy: 0.8487304162671794
Energy: 0.8353858255454077
Energy: 0.7824705961371506
Energy: 0.8204390844276438
Energy: 0.8989090501081065
Energy: 0.8742870928644204
Energy: 0.9713634684068904
Energy: 0.7753783834263142
Energy: 0.7883364502236344
Energy: 0.8073729408199407
Energy: 0.7610637117346725
Energy: 0.7810838819069941
Energy: 0.9229548432231398
Energy: 0.7951852268533772
Energy: 0.7539373679965301
Energy: 0.9063088678794652
Energy: 0.9028581291332508
Energy: 0.9610593968545775
Energy: 0.7937320491940124
Energy: 0.9602990488402628
Energy: 0.9153612978595639
Energy: 0.9179937029160453
Energy: 0.9427943291332894
Energy: 0.8680927373354662
Energy: 0.7614106012432935
Energy: 0.8485262633620694

minimum gb energy = 0.2957087643460518 eV
minimum distance =  2.30975719751166 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.1513414973885254
Energy: -0.17266135584774575
Energy: 1.0811001371074245
Energy: -0.8626990509531369
Energy: -0.5506683329963867
Energy: 0.9845270865892306
Energy: -0.47216775969251773
Energy: 0.883289948267939
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Energy: -0.5998107984564708
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Energy: -0.49745386496495403
Energy: -0.7577763353545798
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Energy: -0.7617420047940116
Energy: -0.5416378036806567
Energy: 0.8833042323837299
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Energy: 0.8121281218841184
Energy: -0.46007304110453345
Energy: 0.1405891366678901
Energy: -0.5449684030387948
Energy: -0.617873311266055
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Energy: 0.867681042008484
Energy: 0.9223440368001479
Energy: 0.7626048059372499
Energy: -0.578131154209175
Energy: 0.7056193734685082
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Energy: -0.33537701474540504
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Energy: -0.8065719441827321
Energy: 0.764967734247748
Energy: 1.0791462116872756
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Energy: 0.8826481294366761
Energy: 0.6808076918735434
Energy: 0.9592132922043041
Energy: 0.7386176875371507
Energy: 0.8940566831611955
Energy: 0.7527149919979893
Energy: 0.8498516161516364
Energy: 0.7789890883549138
Energy: 0.7774949350778553
Energy: 0.9324923135293738
Energy: 0.6548892963398001
Energy: 0.7159249906631511
Energy: 0.7169761106886837
Energy: 0.6674425353443387
Energy: 0.02478374667748791
Energy: 0.7001567311452471
Energy: 0.7805948410095341
Energy: 0.7623311269131807
Energy: 0.947693947377222
Energy: 0.7849254206045541
Energy: 0.6547459859648189
Energy: 0.8068573440976974
Energy: 0.8294801853631906
Energy: 1.0990962632788803
Energy: 0.7935448817653641
Energy: 0.7392515148483095
Energy: 0.7321525871096821
Energy: 0.6857044701678301
Energy: 0.7763206606804143
Energy: 0.7296181088152471
Energy: 1.0596422402020564
Energy: 0.7074495616775893
Energy: 0.6653155472977703
Energy: 0.8112249741971419
Energy: 0.6256057948978886
Energy: 0.633257175149984
Energy: 0.8072181526225932
Energy: 0.8207174518154853
Energy: 0.6644744280271271
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Energy: 0.9045954529118282
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Energy: -0.4952157366417498
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Energy: 0.8302975253455024
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Energy: 0.6355108968589124
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Energy: 0.8462681508324754
Energy: 0.7426079291229984
Energy: 0.7507919385867574
Energy: 0.921801456663585
Energy: 0.6767227282091313
Energy: 0.8471065266304038
Energy: 0.9257343568629163
Energy: 0.9868252716008384
Energy: 0.6597752165466032
Energy: 0.7704624067051017
Energy: 0.9542221463853832
Energy: 0.7835256722312844
Energy: 0.7940584649721187
Energy: 0.6205127429994054
Energy: 0.7390754357497533
Energy: 0.8442638437639713
Energy: -0.9641809260836078
Energy: -0.3858550926619686
Energy: 0.7882425852742098
Energy: 0.9912640823642086
Energy: 0.9165473926535972
Energy: 0.7659137714441395
Energy: 0.8010688558609217
Energy: -0.9129349789801752
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Energy: 0.7366946095817517
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Energy: -0.9175732492426222
Energy: -0.6675008319680568
Energy: -0.5621272114860801
Energy: 0.8846569670635946
Energy: 0.8469768761477959
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Energy: 0.9267140493061706
Energy: -0.573156669667578
Energy: 0.698723341733863
Energy: 0.1550134714680538
Energy: -0.4794132992316638
Energy: -0.6879610627796706
Energy: 0.9399712925712917
Energy: -0.3924463386841811
Energy: -0.8029168555288839
Energy: -0.33901318660051816
Energy: 0.18663617300175653
Energy: -0.6462985839442538
Energy: -0.8040660083662603
Energy: 1.0784216703056813
Energy: 0.7165971414111505
Energy: -0.7333658938280528
Energy: -0.6133095899962538
Energy: -0.5894865153820513
Energy: 0.8869571988280859
Energy: -1.0157113734853804
Energy: -0.30397387286343047
Energy: -0.5092648112255453
Energy: -0.6831533545543792
Energy: -0.2565280010077285
Energy: -0.6038891522136811
Energy: 0.8206916390632254
Energy: 0.8029345721930158
Energy: -0.531600711398923
Energy: -0.5353047838409433
Energy: 1.0824447531597652
Energy: -1.078026419566672
Energy: 1.0171820090471737
Energy: 0.9470360270549105
Energy: 0.8530959285739947
Energy: -0.27756382918438366
Energy: 0.7572461912274071
Energy: 0.7238077096077454
Energy: -0.44056064896798575
Energy: -0.49281381629213694
Energy: 0.8609572768913847
Energy: 0.8947293156058249
Energy: 0.9057547258920599
Energy: 0.8723101988822693
Energy: -0.8166279760039968
Energy: -0.7550474461028698
Energy: -0.20185222141262124
Energy: 0.9434176697654839
Energy: 0.9782163239058507
Energy: 1.0993105670319478
Energy: 0.20512574537280615
Energy: 0.06642242360515482
Energy: -0.7850301691932469
Energy: -0.7849204611208129
Energy: 0.9111003539198803
Energy: 0.8205211863240065
Energy: 0.868423595682396
Energy: 0.76409306964956
Energy: -0.5426721481867481
Energy: 0.758508112019236
Energy: -0.9140796832697161
Energy: -0.35747551397930016
Energy: 0.8263988648647135
Energy: -0.6670241943300659
Energy: 0.8474156527034638
Energy: 0.9212683737244274
Energy: 0.8101613077916784
Energy: 0.8601252443849979
Energy: 0.8699805067505764
Energy: 0.908041268797037
Energy: 0.989013813200517
Energy: 0.7124976207593866
Energy: 0.9355910176333576
Energy: 0.8350883290468708
Energy: -0.7843546984130467
Energy: 0.7787060082169615
Energy: 0.778233055907059
Energy: 0.9647973817358209
Energy: 0.6725231903983759
Energy: 0.6593664678229048
Energy: 0.7268533276016912
Energy: -0.6787600314469029
Energy: -0.9885377917159243
Energy: 0.6921919018311509
Energy: 0.8199121703754091
Energy: 0.7634506963875802
Energy: 0.9327894336834299
Energy: 0.695700907413155
Energy: 0.7761296719125801
Energy: 0.6232580453255774
Energy: 0.8297282252638386
Energy: 1.0080636125049705
Energy: 0.714283661573461
Energy: 0.7817929593405659
Energy: 0.7189017863108349
Energy: 0.6603943312677497
Energy: 0.797035570975365
Energy: 0.7300490823555641
Energy: 1.0449868349838005
Energy: 0.6881915279693814
Energy: 0.6617513353134493
Energy: 0.8393654301755827
Energy: 0.7150104675332175
Energy: -0.7213904825099642
Energy: 0.7373630115260187
Energy: 0.867360842452137
Energy: 0.6806503486773103
Energy: 0.7545312216162705
Energy: 0.8686409375444928
Energy: 0.8739047119127213
Energy: 0.5999447043031728
Energy: 0.6898826952075089
Energy: -0.5965673651363236
Energy: 0.6508595107187944
Energy: 0.6519572497096381
Energy: 0.7809760451369977
Energy: -0.8278127778148011
Energy: 0.7547937034657236
Energy: 0.6358393674386975
Energy: 1.0565413278372673
Energy: 0.7811299564446386
Energy: 0.8477480422676623
Energy: 0.7428603947389225
Energy: -0.8144887287214158
Energy: 0.8842306851656688
Energy: 0.6709973217394174
Energy: 0.8390965182491114
Energy: 0.728164532844645
Energy: 1.0789310414203157
Energy: 0.6612971949481626
Energy: 0.7234207688541413
Energy: 0.8743748205969144
Energy: 0.6927932812381029
Energy: -0.6148315475009256
Energy: 0.6196418862923165
Energy: 0.7539359937676315
Energy: 0.8269422754037592
Energy: 0.6715244125949079
Energy: -0.8991732496503811
Energy: 0.7882230061222085
Energy: 1.0197744406610598
Energy: 0.7547468020505519
Energy: 0.10366039179360505
Energy: 0.8008659833227875
Energy: -1.0182859442246592
Energy: 0.9704610197281704
Energy: 0.7787512335569803
Energy: -0.7487299216250725
Energy: 0.7980663355629731
Energy: -0.9667712815708147
Energy: -0.6630124389421014
Energy: -0.7257662817779406
Energy: 0.919385168090834
Energy: 0.8459405067316694
Energy: -0.41170462708181516
Energy: 0.9466896713749812
Energy: -1.087262722475216
Energy: 0.7042953726107032
Energy: -0.44583981829210095
Energy: -0.4080518961509518
Energy: -0.6967522405355636
Energy: 0.995946952951442
Energy: -0.12191825726075735
Energy: 1.1628818472593687
Energy: -0.9556812398174902
Energy: -0.42323670680327774
Energy: 0.9827316888405405
Energy: -0.66694181006337
Energy: 0.9444635685620729
Energy: 0.7143923721032408
Energy: 0.416751763210694
Energy: -0.5811365815050316
Energy: -0.6074188904352297
Energy: 0.8212291310246465
Energy: 0.7954742209645181
Energy: -0.41595248834790194
Energy: -0.43993626065143693
Energy: -0.677735024227009
Energy: -0.3755389979145501
Energy: -0.6544467951940796
Energy: 0.8756393002845312
Energy: 0.7910081764376325
Energy: -0.6687008381162813
Energy: 0.8512069969084978
Energy: -0.8139640382114159
Energy: -0.7817240682045735
Energy: -0.700444742766263
Energy: -0.7304879550550923
Energy: -0.47552576375401606

minimum gb energy = -1.087262722475216 eV
minimum distance =  2.26127052911625 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.0074337658922687
Energy: 0.46344818001379184
Energy: 0.4709487359826024
Energy: 0.46690028251789234
Energy: 0.4698182494593722
Energy: 0.47202440721285116
Energy: 0.46370638684209864
Energy: 0.9096165646411782
Energy: 0.4916429427324885
Energy: 0.9611611398383035
Energy: 0.46318977911318704
Energy: 0.4629133505013877
Energy: 0.91550864686241
Energy: 0.4876661458504414
Energy: 0.9627756174371714
Energy: 0.49486271863820536
Energy: 0.4673217360012451
Energy: 0.46384041843213286
Energy: 0.46813683083404534
Energy: 0.47024585296812205
Energy: 0.46136608521837535
Energy: 0.9631328737178875
Energy: 0.49161931765271794
Energy: 0.4693645744032126
Energy: 0.46810206353583556
Energy: 0.4678727989924319
Energy: 0.4678061386166519
Energy: 0.4617702554325201
Energy: 0.884302549181686
Energy: 0.4733965818209885
Energy: 0.9072162313864734
Energy: 0.4558690181356215
Energy: 0.9449260025301007
Energy: 0.8853670262040286
Energy: 0.462413813281654
Energy: 1.008185364513837
Energy: 0.8798082269966716
Energy: 0.4676244944693161
Energy: 0.4661302007248282
Energy: 0.46661002061060575
Energy: 0.4710561425625692
Energy: 0.4622841839904915
Energy: 0.9608553063969765
Energy: 0.4924886072846949
Energy: 0.9145745672869247
Energy: 0.46092029076841357
Energy: 0.46527841255500046
Energy: 0.4659443723629144
Energy: 0.4596363187733378
Energy: 0.961088588921754
Energy: 0.48992377577495755
Energy: 0.47085601165487395
Energy: 0.46285252097504026
Energy: 0.4665442757166232
Energy: 0.4633983961733002
Energy: 0.4934974358028573
Energy: 0.9607349399405971
Energy: 0.8800942794204958
Energy: 0.46992778537414986
Energy: 0.46698679854288694
Energy: 0.4693857214621124
Energy: 0.46955939332290575
Energy: 0.46060678496614627
Energy: 0.9957768067439426
Energy: 0.4637293084016729
Energy: 0.8858463341751446
Energy: 0.45708197583857385
Energy: 0.4567545109782869
Energy: 0.9345879556747767
Energy: 0.4648055592257315
Energy: 1.0116105921292462
Energy: 0.49966475244369507
Energy: 0.46928513524347504
Energy: 0.46885951973607765
Energy: 0.46945710132974355
Energy: 0.46913462432867414
Energy: 0.459942372189988
Energy: 0.9623399023377291
Energy: 0.49436478699974307
Energy: 0.4668304365893117
Energy: 0.4619363511811558
Energy: 0.46467261864675996
Energy: 0.4675830795300054
Energy: 0.48983585007983543
Energy: 0.9672497253899957
Energy: 0.492425726824368
Energy: 0.9158040042647317
Energy: 0.46244807150610884
Energy: 0.460653067618207
Energy: 0.9157329256425747
Energy: 0.4937680821634674
Energy: 1.0077506218725552
Energy: 0.8794720597393092
Energy: 0.4700628887777596
Energy: 0.4653296803498232
Energy: 0.4690316064531848
Energy: 0.47018330108194956
Energy: 0.46127320716229786
Energy: 0.8860139615532772
Energy: 0.4908956015997061
Energy: 0.886117057686973
Energy: 0.6206105990178465
Energy: 0.4535789563042068
Energy: 0.9151355346061908
Energy: 0.49292567334395043
Energy: 0.9619722381207502
Energy: 0.5042198470253361
Energy: 0.4688274513188818
Energy: 0.46506955206703854
Energy: 0.46966345512803476
Energy: 0.4688286318217296
Energy: 0.4601192261392681
Energy: 0.9620614978486718
Energy: 0.4931884241399135
Energy: 0.4686802313425397
Energy: 0.4673101549396419
Energy: 0.46698157922421973
Energy: 0.46722784424095304
Energy: 0.4620912954891057
Energy: 0.8837585071661007
Energy: 0.482133942725013
Energy: 0.954839876699166
Energy: 0.46172999147727
Energy: 0.4619463121206406
Energy: 0.9698709121916064
Energy: 0.4945402316126745
Energy: 1.0075893127121394
Energy: 0.48863009622093395
Energy: 0.4709044158399525
Energy: 0.4674116438550421
Energy: 0.4734071156413374
Energy: 0.47193648939047234
Energy: 0.46345195336768175
Energy: 0.9619511406889214
Energy: 0.49453377071337906
Energy: 0.9525639037195607
Energy: 0.46171151188301585
Energy: 0.4633097034539668
Energy: 0.9169739164742001
Energy: 0.48711731678834047

minimum gb energy = 0.4535789563042068 eV
minimum distance =  2.4155388758715 Angstroms
sigma value = 23