Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
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=3.604343503713608
cohesive_energy=4.246784762046966
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=[1.9334106313131598e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.857413578006939e-19, 6.02661945232368e-19, 6.17296226607324e-19, 6.29796408705792e-19, 6.40489335561108e-19, 6.49632957611346e-19, 6.573874925199059e-19, 6.638634904745339e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.02695590941682e-19, 5.7914519659851595e-19, 5.50224306178182e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-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: 0.02017979227436001
Energy: 0.021169638621496935
Energy: 0.9030072054617106
Energy: 0.8103852398540156
Energy: 0.8058075281681804
Energy: 0.30161404557698046
Energy: 0.021084059676737692
Energy: 0.020740823163945453
Energy: 0.4875860002984968
Energy: 0.07126704152505986
Energy: 0.12441614357592412
Energy: 0.48593481569334124
Energy: 0.021878576742973388
Energy: 0.07013885919771018
Energy: 0.02068218274124566
Energy: 0.48925566730136905
Energy: 0.6654000728485414
Energy: 0.12342936955719355
Energy: 0.48276866199586715
Energy: 0.07553518512304863
Energy: 0.07016887679232695
Energy: 0.022590960695434172
Energy: 0.48040068935153
Energy: 0.14239854459625637
Energy: 0.4827480343499239
Energy: 0.4856227120390167
Energy: 0.06871031979757068
Energy: 0.02154862244410972
Energy: 0.07001262557400174
Energy: 0.49327103398377276
Energy: 0.07177047057316191
Energy: 0.12434802040544818
Energy: 0.48168549895436824
Energy: 0.021544191436221355
Energy: 0.07043518308392001
Energy: 0.02057443746392307
Energy: 0.4876362727866558
Energy: 0.3177663514273433
Energy: 0.12188207474589789
Energy: 0.48533317576284773
Energy: 0.06853232920382847
Energy: 0.07007427974250863

minimum gb energy = 0.02017979227436001 eV
minimum distance =  2.52198404158104 Angstroms
sigma value = 5


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

Energy: 1.0354846324432234
Energy: 0.9969356690040717
Energy: 0.9529255842794191
Energy: 1.0656755663849011
Energy: 0.9688811824387886
Energy: 0.8963523749959682
Energy: 0.9707219686832059
Energy: 0.9310791570587574
Energy: 0.8796354369248698
Energy: 0.8825029859605955
Energy: 0.8893549691356963
Energy: 0.8613844484268443
Energy: 0.8887273197445351
Energy: 0.9198463976656603
Energy: 0.9667689868877548
Energy: 0.8428530723540416
Energy: 0.8315516842722007
Energy: 0.9554440019497026
Energy: 0.8873559532560501
Energy: 0.8318973884455012
Energy: 0.9785422354438505
Energy: 0.929294696787443
Energy: 0.8572721318977462
Energy: 0.9012293344811932
Energy: 0.8821942932261702
Energy: 0.9392462923623854
Energy: 0.9129394389392756
Energy: 0.8901678894625478
Energy: 0.9259985126853347
Energy: 0.8613516160618037
Energy: 1.0367970138892055
Energy: 0.9178407012528562
Energy: 0.9387680389268976
Energy: 1.043226821879235
Energy: 0.9268997716607428
Energy: 1.0312511615134865
Energy: 0.8253950485087231
Energy: 1.004319991791966
Energy: 0.9078630374501713
Energy: 0.8750287262515292
Energy: 0.9200018186486806
Energy: 0.9450345030361109
Energy: 0.9772592103670052
Energy: 0.878830559514122
Energy: 0.9508293296271542
Energy: 0.88832489301805
Energy: 0.8751607783008228
Energy: 0.9574920988561594
Energy: 0.8922361302605046
Energy: 1.0645082861749584
Energy: 0.9848967294901615
Energy: 0.8623988942650067
Energy: 0.9589725984061547
Energy: 0.9385991441536115
Energy: 0.9255712992128566
Energy: 0.9728773854707751
Energy: 0.9624604695861378
Energy: 0.904664227555662
Energy: 0.8105000080973237
Energy: 0.799553209687319
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Energy: 0.9734869755825752
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Energy: 0.8956608713052991
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Energy: 1.0299324473697424
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Energy: 0.9639893463649701
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Energy: 0.980966830483563
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Energy: 0.9436814095473787
Energy: 0.8408599965228575
Energy: 0.8861106628931844
Energy: 0.8688558713977196
Energy: 0.8911424623716437
Energy: 0.9391537373974781
Energy: 0.9310115017225032
Energy: 0.8764873340808377
Energy: 0.8832793402572543
Energy: 0.9618262642863651
Energy: 0.8235356145823134
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Energy: 0.8578259877256728
Energy: 0.9290520891218569
Energy: 0.9669358209482183
Energy: 1.050077092972084
Energy: 0.9165559806270547
Energy: 0.9684937499138774
Energy: 1.1098793170526666
Energy: 0.9668610370214445
Energy: 0.9150192988497239
Energy: 0.9152580231994903
Energy: 1.0089486083951913
Energy: 0.8679113585634286
Energy: 0.9568583060243494
Energy: 0.8789697991765898
Energy: 0.8978858127892049
Energy: 0.9748124227828923
Energy: 0.9119020660527761
Energy: 0.9723182970282663
Energy: 0.8600303825572411
Energy: 0.8100358780526766
Energy: 0.8304902112026927
Energy: 0.8769799524860198
Energy: 0.9125262805280191
Energy: 0.9666196563941157
Energy: 0.9307271419376798
Energy: 0.9448289031559834
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Energy: 1.069547733603844
Energy: 1.0438236060787767
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Energy: 0.9174168788561371
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Energy: 0.8792969591712033
Energy: 0.9318602790810522
Energy: 0.9534611372629291
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Energy: 0.985717526010869
Energy: 0.8463668232265432
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Energy: 0.9252907244044818
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Energy: 0.8709086054593038
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Energy: 1.0691900420886749
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Energy: 0.9197804379765426
Energy: 0.9260437230359296
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Energy: 0.9016663561024518
Energy: 0.9351103617640721
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Energy: 0.8732217225265158
Energy: 0.823834906947894
Energy: 0.8969983628611122
Energy: 0.8498642452561777
Energy: 0.905140395362302
Energy: 0.9539093627664723
Energy: 0.9027279080831501
Energy: 1.0029771285341806
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Energy: 0.9336734588866843
Energy: 0.9317871296596938
Energy: 0.9117412977486582
Energy: 0.9469245667395391
Energy: 0.8761151761267023
Energy: 0.9762975489944421
Energy: 1.0548856972912333
Energy: 0.8981689949834935
Energy: 1.0538684584517126
Energy: 0.9300710435368253
Energy: 0.9106154571429261
Energy: 0.8883829620166782
Energy: 0.8535543283652839
Energy: 0.8815030096522528
Energy: 0.8938648997051691
Energy: 0.9362852496298959
Energy: 1.0058937225606686
Energy: 0.8584636034086602
Energy: 0.8325924087169633
Energy: 0.9656793859493826
Energy: 0.9804621395109191
Energy: 0.8320685483529245
Energy: 0.986425915464696
Energy: 0.9284375961717841
Energy: 0.9038403912930456
Energy: 0.9017538614599893
Energy: 1.0189384853178207
Energy: 1.019175533568909
Energy: 0.8905397881311283
Energy: 0.907513238892192
Energy: 0.8941897652251962
Energy: 0.9160202439125414
Energy: 1.0171238791569157
Energy: 0.9175008172351904
Energy: 0.8352432604142007
Energy: 0.8753159397730059
Energy: 0.9441401354406258
Energy: 0.9389001121939339
Energy: 0.9152919485055183
Energy: 1.019582245653351
Energy: 0.9102899315006678
Energy: 0.8337486509646455
Energy: 0.8927309513895946
Energy: 0.9467902282547865
Energy: 0.9502279234591763
Energy: 0.9269825075736824
Energy: 0.9309210380556562
Energy: 0.9467390517783825
Energy: 0.9981553450547447
Energy: 0.8701483048925511
Energy: 0.8376160122172442
Energy: 1.0425004367151927
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Energy: 0.8631709906931144
Energy: 0.9080995148080742
Energy: 0.9857500273284064
Energy: 0.8868586938577683
Energy: 0.9444129437465897
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Energy: 0.8719145113214171
Energy: 0.9268834288369815
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Energy: 0.9188583617033914
Energy: 1.057548032012455
Energy: 0.8526771540321302
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Energy: 1.0530210149385553
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Energy: 0.9067709685239271
Energy: 0.8527781149847934
Energy: 0.965404339850382
Energy: 0.9173260374808111
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Energy: 0.988129984613336
Energy: 0.8825445379871671
Energy: 0.8626752552055461
Energy: 0.9924502812947591
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Energy: 0.9045696007114765
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Energy: 0.8462971456313735
Energy: 0.8843866646397104
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Energy: 0.846508087808242
Energy: 0.8806595638911138
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Energy: 1.01936376661591
Energy: 0.9425565461304866
Energy: 1.0114938064189847
Energy: 0.9056976111848147
Energy: 1.0203866840299585
Energy: 1.074776459719306
Energy: 1.0074006115833456
Energy: 0.9875203997402104
Energy: 0.8771417784649087
Energy: 0.9695200030140839
Energy: 0.908484759172339
Energy: 0.9292958710290596
Energy: 0.8117168750876836
Energy: 0.842109337932779
Energy: 1.186903886626485
Energy: 0.921354843694789
Energy: 0.9371112756715351
Energy: 0.8527835568082403
Energy: 0.9976983857664012
Energy: 0.9844545692230292
Energy: 0.9923318866123316
Energy: 0.9572588200691289
Energy: 1.0030917559177142
Energy: 1.0025175504531365
Energy: 0.9483477494085666
Energy: 0.958961546493265
Energy: 1.085364184387638
Energy: 1.0333673083269168
Energy: 0.9649085411090751
Energy: 0.8601730217677065
Energy: 0.9019723145528916
Energy: 0.8991713420598139
Energy: 0.8750687939182813
Energy: 0.8263743849515308
Energy: 0.8867534421277776
Energy: 0.9423639535735813
Energy: 0.843403247953893
Energy: 0.9044188727751054
Energy: 0.8812880337216664
Energy: 0.9061819721421035
Energy: 0.8737399104202526
Energy: 0.92736787205147
Energy: 0.9778814786829373
Energy: 0.9298215014976312
Energy: 0.9773447731886068
Energy: 0.9529028500126071
Energy: 0.9169441518999096
Energy: 1.0681815927434377
Energy: 0.8932700234817961
Energy: 0.8878640901434628
Energy: 0.8795094315574689
Energy: 0.8689680558029994
Energy: 0.9244353377688869
Energy: 0.8689914945471015
Energy: 0.9280432723396198
Energy: 0.9294162660204216
Energy: 0.8738680404732505
Energy: 0.8503420497397743
Energy: 0.8988640048747795
Energy: 0.8680372644656609
Energy: 0.8072765412954276
Energy: 0.9251521707885322
Energy: 0.9286737006341564
Energy: 0.9116252350344054
Energy: 0.9410555528871971
Energy: 0.9209046949848628
Energy: 1.0034846403011917
Energy: 0.9611795700833212
Energy: 0.9335005199677561
Energy: 0.9368267261585019
Energy: 0.9089566091163785
Energy: 0.8516146212182942
Energy: 0.9840892400965482
Energy: 0.9566213379887073
Energy: 1.045884439903997
Energy: 0.949220235239213
Energy: 0.9286002941289377

minimum gb energy = 0.799553209687319 eV
minimum distance =  2.26155001184428 Angstroms
sigma value = 401


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

Energy: 1.0878199642054533
Energy: 1.05194647041332
Energy: 0.944919614224639
Energy: 0.839666924065668
Energy: 0.8329961257049591
Energy: 0.940390407575709
Energy: 0.9050119970502579
Energy: 0.9668949834547128
Energy: 0.8381538304376395
Energy: 0.812403450205495
Energy: 1.0521587137222135
Energy: 0.8703094695291835
Energy: 0.8234917953009909
Energy: 0.9952933463342982
Energy: 0.9656265520381904
Energy: 0.905695185923845
Energy: 0.8500479368319994
Energy: 0.9374208507002485
Energy: 0.9133771207814796
Energy: 0.9138169017132036
Energy: 0.8887786261563685
Energy: 0.9266577171413231
Energy: 0.9130376786893107
Energy: 0.9730376627869084
Energy: 0.977656604608373
Energy: 0.9159249001349326
Energy: 0.9990202166643177
Energy: 1.1150134372561677
Energy: 0.9861696565763881
Energy: 0.8026377292030874
Energy: 0.8991032802556129
Energy: 0.9343167325030818
Energy: 0.9013668739874255
Energy: 0.9873974619588544
Energy: 1.0464806787357925
Energy: 0.9814531001669761
Energy: 0.8373048657357993
Energy: 1.0138617985152918
Energy: 0.9284852108493052
Energy: 0.8579903770400775
Energy: 0.9494223221701239
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Energy: 0.8583285955695543
Energy: 0.9738693722099336
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Energy: 0.9086035076940406
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Energy: 1.0229001753509317
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Energy: 1.011945691094482
Energy: 1.0000612005510154
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Energy: 0.8605624537221332
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Energy: 0.9674206049930194
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Energy: 0.8611208630446157
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Energy: 0.8725299829886607
Energy: 0.963338660911099
Energy: 0.9070868346345374
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Energy: 0.935204057357091
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Energy: 0.931823909204747
Energy: 0.9689962657643975
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Energy: 0.934601635458057
Energy: 0.8702166342663517
Energy: 0.9113840974669648
Energy: 0.9030093626509313
Energy: 0.8646489058912838
Energy: 0.9983698478060762
Energy: 0.9052785628614148
Energy: 0.9694288456650826
Energy: 0.8760974320800605
Energy: 1.2035216984690986
Energy: 0.896959634046853
Energy: 0.8589735231054851
Energy: 0.995383165099095
Energy: 0.9072028208160138
Energy: 0.9110574266299643
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Energy: 0.9712657091907727
Energy: 0.9338768576103043
Energy: 0.9782489652003945
Energy: 0.9871558664461185
Energy: 0.9885447868319832
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Energy: 0.9742656876882746
Energy: 0.9809459013992009
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Energy: 0.9246873801804933
Energy: 0.9778251914953071
Energy: 0.9866842763746159
Energy: 0.7708662234011799
Energy: 0.9345356956804323
Energy: 0.9356156871720551
Energy: 0.8927923002817308
Energy: 0.7752640588315686
Energy: 0.9145525973914574
Energy: 0.9898946427949193
Energy: 0.7979817114973745
Energy: 0.8990557156354575
Energy: 0.9343653672379808
Energy: 0.8938618164852833
Energy: 0.9377740773149251
Energy: 0.9678086355815719
Energy: 0.9584987655426107
Energy: 0.9123144007245798
Energy: 0.9736029091951945
Energy: 0.9695648109196461
Energy: 0.8946630375721117
Energy: 0.990771495812084
Energy: 1.0225672890525384
Energy: 0.9592522131348968
Energy: 0.8410664233415972
Energy: 0.8389782966686484
Energy: 0.9678912154692583
Energy: 0.9378278666829502
Energy: 0.8492209588822635
Energy: 0.8213145589477125
Energy: 1.038149145672784
Energy: 0.8390575477168591
Energy: 0.8391551777141314
Energy: 0.9478218532357432
Energy: 0.8790028123309925
Energy: 0.873026699691011
Energy: 1.0018458501708771
Energy: 0.9120840013709001
Energy: 0.9753743888586123
Energy: 0.9344489854411125
Energy: 0.8661568534875489
Energy: 0.9303335676743877
Energy: 0.9281108363667807
Energy: 0.9689197242776842
Energy: 0.9006144546001797
Energy: 0.8913402255254914
Energy: 0.8706576911185117
Energy: 0.9246773756622104
Energy: 0.9274825117925908
Energy: 0.8623109974164515
Energy: 0.9420352298209864
Energy: 0.9038172804393966
Energy: 0.9342818632608457
Energy: 0.8771153017177623
Energy: 0.9497270615553454
Energy: 0.9585557413931531
Energy: 0.8662334542900848
Energy: 0.9977915430516651
Energy: 0.9085553478240569
Energy: 0.8466976209804028
Energy: 0.9605849386298366
Energy: 1.010571176643569
Energy: 0.9812638108887607
Energy: 0.9401547682470559
Energy: 0.9781247243748077
Energy: 0.8517194425649816
Energy: 0.9066161609081329
Energy: 1.0137466618333744
Energy: 0.8893043060858571
Energy: 0.918658953147105
Energy: 0.9366142204498881
Energy: 1.0162078333176425
Energy: 0.8644416364264341
Energy: 0.9085155286481325
Energy: 1.0153784163256516
Energy: 0.9691809275447684
Energy: 0.8226537375831414
Energy: 0.9583493108880625
Energy: 1.0427155665196097
Energy: 0.9875569794940376
Energy: 0.7769770922979823
Energy: 0.9053590796118315
Energy: 0.9052494634951639
Energy: 0.8966267528000424
Energy: 0.9379636828013591
Energy: 1.0676033929687523
Energy: 0.9091138218254181
Energy: 0.9035613322973352
Energy: 0.9733943807233862
Energy: 0.9698781960123944
Energy: 0.8916856489828844
Energy: 0.9903222076816467
Energy: 0.9671715199662153
Energy: 0.9593177798316884
Energy: 0.8399012386161999
Energy: 0.9031686140163223
Energy: 0.969829546126557
Energy: 0.9432001178280124
Energy: 0.832383644964854
Energy: 0.8163101952508004
Energy: 0.9032324886257824
Energy: 0.8747686799423279
Energy: 0.9079471175443317
Energy: 0.9478477720223565
Energy: 1.0680300419149473
Energy: 0.873634568936967
Energy: 1.0031316358988538
Energy: 0.905799731547791
Energy: 0.8950254276248804
Energy: 0.9280020230927475
Energy: 0.8057922647313598
Energy: 0.9313647862153832
Energy: 0.9065629508289766
Energy: 0.9403307225568683
Energy: 0.9783108101579665
Energy: 0.9013598168171798
Energy: 0.8428768015732603
Energy: 0.953735622471056
Energy: 0.7328497574279716
Energy: 0.8538619725777112
Energy: 0.8890490585490128

minimum gb energy = 0.7328497574279716 eV
minimum distance =  2.27014709059088 Angstroms
sigma value = 311


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

Energy: 0.9106314163069171
Energy: 0.9156231057651019
Energy: 0.970273190698086
Energy: 0.9643026000341129
Energy: 0.9115929697785176
Energy: 0.9287586522744465
Energy: 0.9608210791156384
Energy: 0.878721775299445
Energy: 0.9606997806362115
Energy: 0.8995890666869563
Energy: 0.9449004253526696
Energy: 0.9367057933233747
Energy: 0.8664569009623482
Energy: 0.9937286897490816
Energy: 0.8817353361116651
Energy: 0.8952643020458607
Energy: 0.8623220567171836
Energy: 0.9472666484992325
Energy: 0.9204524332114824
Energy: 1.0171684546026794
Energy: 0.8431688668735009
Energy: 0.9901992963721027
Energy: 0.929141850784136
Energy: 0.9261004787519997
Energy: 0.9610572528836555
Energy: 0.9467804594602063
Energy: 0.8793164557428192
Energy: 0.9498104970449129
Energy: 1.0124565737298703
Energy: 0.8404196668346153
Energy: 0.8879661505297999
Energy: 0.837173146060266
Energy: 0.8790855185631378
Energy: 1.005419718704124
Energy: 0.8279865492228842
Energy: 0.8887928470903479
Energy: 0.8745159876702411
Energy: 0.9027488601666075
Energy: 0.8258390179250089
Energy: 0.8282643401452432
Energy: 0.9075241315521289
Energy: 0.8537593095409716
Energy: 0.9132002412037127
Energy: 0.9435359326408587
Energy: 0.964797019786615
Energy: 0.9202551777969098
Energy: 0.942905976956642
Energy: 0.9125050548341275
Energy: 1.0022784287560709
Energy: 0.8558049167036864
Energy: 0.9589539587138323
Energy: 0.9275225757918308
Energy: 0.8983522017274901
Energy: 0.9427497416421566
Energy: 1.010281598508991
Energy: 0.9209086124725592
Energy: 0.9870859477262519
Energy: 0.8988539330340571
Energy: 0.8627462669232722
Energy: 0.9627233179327036
Energy: 0.9239702349104065
Energy: 0.832656009613395
Energy: 0.8286746803903775
Energy: 0.8870864726842964
Energy: 0.9287673682091636
Energy: 0.926409402818539
Energy: 0.8865397904265463
Energy: 0.9478171535931266
Energy: 0.8791600987035045
Energy: 0.9266299845826937
Energy: 0.8937699047112984
Energy: 0.8459359471869101
Energy: 0.8891042348856736
Energy: 1.0045525366027879
Energy: 0.8796867363077219
Energy: 0.961022509351865
Energy: 0.835501040281277
Energy: 0.8963708467395074
Energy: 0.8869998550928913
Energy: 0.888568487754141
Energy: 0.8260591717213975
Energy: 0.8757262222496917
Energy: 0.9331026492793915
Energy: 0.8540773318333401
Energy: 0.988893518036806
Energy: 0.9425708377907839
Energy: 1.0005376798052426
Energy: 0.9217466462944882
Energy: 0.9416057125724143
Energy: 0.9141966150024224
Energy: 0.8657519236937705
Energy: 0.902888063808113
Energy: 0.9584058182790021
Energy: 0.926812841630948
Energy: 0.9500878147884279
Energy: 0.8972614880154649
Energy: 0.9485594168279323
Energy: 0.9214292486970579
Energy: 0.9873254782778649
Energy: 0.8990196152318133
Energy: 0.958260476896538
Energy: 0.899876848645342
Energy: 0.9248297979954951
Energy: 0.9062868255617809
Energy: 0.8283071897437212
Energy: 0.8695376902530914
Energy: 0.920492228373222
Energy: 0.915307392385661
Energy: 0.8859069029128119
Energy: 0.9453019929449193
Energy: 0.9412754234733758
Energy: 0.9619861065561804
Energy: 0.9239022294187138
Energy: 0.9370251452809724
Energy: 0.9266299738455888
Energy: 0.9778600649157368
Energy: 0.9229910766027152
Energy: 0.979017123904393
Energy: 0.9492582862221574
Energy: 0.8406563311697324
Energy: 0.8536256542274628
Energy: 0.881586118031406
Energy: 0.8376645102568723
Energy: 0.8758925509692149
Energy: 0.8983181443521533
Energy: 0.8759985254767785
Energy: 0.911795202061642
Energy: 0.9084935281558516
Energy: 1.0027067657925135
Energy: 0.9223162064994075
Energy: 0.877716953206756
Energy: 0.9324008596611032
Energy: 0.8319113491557018
Energy: 0.9391856830938984
Energy: 0.8501779925935674
Energy: 0.9236462275216433
Energy: 0.9825699007843779
Energy: 0.8666431163533779
Energy: 1.1698144951976315
Energy: 0.9387706645884185
Energy: 0.9919426332523236
Energy: 0.8960714580529942
Energy: 0.9481949692994436
Energy: 0.9251992471896079
Energy: 0.8315755987846987
Energy: 0.9697938306199929
Energy: 0.8409896164173104
Energy: 0.8726812490398765
Energy: 0.9615903162940237
Energy: 0.9529128933207406
Energy: 0.8209038747482259
Energy: 0.9065621247779988
Energy: 0.9396989588303677
Energy: 0.9618758491401528
Energy: 0.921479974446573
Energy: 0.9904087890581311
Energy: 0.9255945712953519
Energy: 0.9433760531353823
Energy: 0.9192810183666649
Energy: 1.014252409784502
Energy: 0.9428869376873413
Energy: 0.8936683796531419
Energy: 0.8535258511566342
Energy: 0.8921297646495504
Energy: 0.8380492440233148
Energy: 0.8929972726634352
Energy: 0.867954790680121
Energy: 0.9225661993287954
Energy: 0.9508136556167993
Energy: 0.9244301700326699
Energy: 1.021714454110639
Energy: 0.9476956594259441
Energy: 0.8789252388951931
Energy: 0.9324915236830039
Energy: 0.8825068808209507
Energy: 0.9016697545985761
Energy: 1.0314053970238468
Energy: 0.9234462639343773
Energy: 0.9941518610732487
Energy: 0.919310209510095
Energy: 1.136276125129628
Energy: 0.9212022653731551
Energy: 0.9501315538412083
Energy: 1.0090185310852149
Energy: 1.0183023862162222
Energy: 0.8985374340278296
Energy: 0.9305271447708974
Energy: 0.9165859906193832
Energy: 0.9563141487585604
Energy: 0.9670883449031379
Energy: 0.9623948818612681
Energy: 0.9278396514532656
Energy: 0.8205676057198114
Energy: 0.8737355487142732
Energy: 0.8867969637652512
Energy: 0.9656454164276446
Energy: 0.9222736914805125
Energy: 0.9748468735876366
Energy: 0.8873605445025948
Energy: 0.884966520285925
Energy: 0.8527054226106718
Energy: 0.9666275842558723
Energy: 0.9511242756536519
Energy: 0.9286244059015027
Energy: 0.8921713438653932
Energy: 1.0305966686424797
Energy: 0.8387800636611104
Energy: 0.8826532306252755
Energy: 0.8987054692470785
Energy: 0.9199715512039051
Energy: 1.0204566988408228
Energy: 0.9240099521824907
Energy: 0.8672328040027386
Energy: 0.9480038517295476
Energy: 0.9634473912778754
Energy: 0.8853174082179862
Energy: 0.8831824952513713
Energy: 0.8813163423107696
Energy: 1.0451939948914009
Energy: 0.924113708151292
Energy: 0.9967104066896559
Energy: 0.9399089040728086
Energy: 1.0474768944766921
Energy: 0.9228308322423739
Energy: 0.9514554041190424
Energy: 1.0089998063989298
Energy: 1.0805577416552843
Energy: 0.9051199776048489
Energy: 0.9610360111871892
Energy: 0.9731297775409716
Energy: 0.989841083505547
Energy: 1.0133201810491186
Energy: 0.8184251643924612
Energy: 0.90978494579529
Energy: 0.8203429271667148
Energy: 0.8383853306666418
Energy: 0.9471645251945224
Energy: 0.8451122351416568
Energy: 0.923386420887972
Energy: 0.8666626944989416
Energy: 0.9075373456897649
Energy: 0.9210985546571169
Energy: 0.8906421914216693
Energy: 0.9337302617371057
Energy: 0.915404341565315
Energy: 0.92854124957809
Energy: 0.9025287148001206
Energy: 1.0033917080665316
Energy: 0.9135798011463178
Energy: 0.8828240386055982
Energy: 0.9279529367543325
Energy: 0.8743081571633904

minimum gb energy = 0.8184251643924612 eV
minimum distance =  2.26579149685125 Angstroms
sigma value = 39


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

Energy: 0.9905221642453061
Energy: 1.0053841278009301
Energy: 0.9217425037316872
Energy: 0.888491543948226
Energy: 0.838686916207267
Energy: 0.8450496608092498
Energy: 0.9870111767126871
Energy: 0.8606467982834008
Energy: 0.7578505702767507
Energy: 0.8946857400206898
Energy: 0.8957230031816876
Energy: 1.040439076596812
Energy: 1.0084784308424832
Energy: 0.9986881215095545
Energy: 0.842932330234898
Energy: 0.8318864570140896
Energy: 0.9537901735990202
Energy: 0.8522057095387653
Energy: 1.005618602779885
Energy: 1.0094563695792982
Energy: 0.7845926289355307
Energy: 0.9299583349033139
Energy: 0.9082507653263509
Energy: 0.8282870200266058
Energy: 0.7185678991866209
Energy: 0.8911110558636552
Energy: 0.8786668793071903
Energy: 1.0055757734430253
Energy: 1.042181477106312
Energy: 1.0333207553403332
Energy: 0.898068737287689
Energy: 0.9782507150476715
Energy: 0.8170344859955123
Energy: 0.9559451660034956
Energy: 0.952955804152099
Energy: 0.9770345302272319
Energy: 0.9114790013594561
Energy: 0.88136224513288
Energy: 0.9067772657565698
Energy: 0.8893487404120655
Energy: 1.0115501817655215
Energy: 0.8315306121942472
Energy: 0.8769074035978189
Energy: 0.7582279240296397
Energy: 0.9108399004949347
Energy: 0.9072034493052011
Energy: 0.9862878326853833
Energy: 0.985249921491992
Energy: 1.0158015629374662
Energy: 0.9769426542192065
Energy: 0.8826384555372323
Energy: 0.8644793661803485
Energy: 0.7512377560204913
Energy: 0.8015595818868495
Energy: 0.833893273018378
Energy: 1.0080521927103483
Energy: 0.9773338328277776
Energy: 0.882193988676447
Energy: 0.8612117830066564
Energy: 0.904064272573544
Energy: 0.7210452560009732
Energy: 0.9483453853028305
Energy: 1.0080936268609508
Energy: 0.8752506940103786
Energy: 0.7824457518118605
Energy: 0.88805689234297
Energy: 0.9565074056033257
Energy: 1.0367957566897328
Energy: 1.0102904976515887
Energy: 1.0118127406244903
Energy: 0.9281251570201349
Energy: 0.9455218517703847
Energy: 0.7936156197359074
Energy: 0.7211371286773036
Energy: 1.0036542626435145
Energy: 1.0078025493578975
Energy: 0.7760432184322361
Energy: 1.0439244688846923
Energy: 1.0376685285329719
Energy: 0.914492610304688
Energy: 0.8980612755145067
Energy: 0.9063548312779898
Energy: 0.8336475088619851
Energy: 0.9447112215582223
Energy: 0.9748837128280171
Energy: 1.0324781525466
Energy: 0.9645490629163552
Energy: 0.8932407532647869
Energy: 0.7506630568070011
Energy: 0.7326822747993266
Energy: 1.0095737411149108
Energy: 0.9752802777346887
Energy: 0.7238886083728132
Energy: 0.9096134061735407
Energy: 0.8602431068827328
Energy: 0.9862164954058427
Energy: 0.9860271058765759
Energy: 1.0170016830362973
Energy: 0.8614806728149664
Energy: 0.7574382762124947
Energy: 0.8779119508158894
Energy: 1.0919462753887699
Energy: 0.98773117698226
Energy: 0.9860678369059026
Energy: 1.0164897305630138
Energy: 0.9906564025650162
Energy: 1.056474856060498
Energy: 0.9098204075817814
Energy: 0.8896133068164923
Energy: 0.8331011913306707
Energy: 0.8434335230868123
Energy: 0.9831091429961132
Energy: 0.9525503245202832
Energy: 0.7585706689365956
Energy: 0.8792332319512374
Energy: 0.8951480906273132
Energy: 1.0399882653069077
Energy: 1.008449481666229
Energy: 0.9980079578771169
Energy: 0.9130162477189824
Energy: 0.8325641912204024
Energy: 0.953033736190812
Energy: 1.0345997174792751
Energy: 1.0057803779114163
Energy: 1.0093955157849765
Energy: 0.7846619114905639
Energy: 0.9308475337899794
Energy: 0.9072037403250275
Energy: 0.7868572343912532
Energy: 0.7619258983371329
Energy: 0.8914846789091506
Energy: 0.8792747708590237
Energy: 1.0061887321088447
Energy: 1.0411645819635948
Energy: 1.0330087177927858
Energy: 0.8984446940250903
Energy: 0.9782908990809777
Energy: 0.815666863041579
Energy: 0.7068216565766394
Energy: 0.9581174971068736
Energy: 0.9775708471950137
Energy: 0.9095599045509334
Energy: 0.8807705489066088
Energy: 0.9067836283691708
Energy: 0.889148574808179
Energy: 0.9869086838429564
Energy: 0.9720886305851174
Energy: 0.8770106814403474
Energy: 0.747708971618271
Energy: 0.9105607404979392
Energy: 0.9075871513797539
Energy: 0.9864891975998635
Energy: 0.9849800855080391
Energy: 1.0129898141892488
Energy: 0.9763018795734434
Energy: 0.8821002412998907
Energy: 1.0804837856907203
Energy: 0.7522071850871201
Energy: 0.8018477358858467
Energy: 0.8341707150027671
Energy: 1.1302226585288333
Energy: 0.9779994604022528
Energy: 0.8824421015740117
Energy: 1.043817314065144
Energy: 0.9073945191056347
Energy: 0.9239453204034593
Energy: 0.8358854123709448
Energy: 1.0084178534237178
Energy: 0.8755647992926586
Energy: 0.7823650055616638
Energy: 0.8883592906973221
Energy: 0.9564303204014893
Energy: 1.0368196618770784
Energy: 1.0098474110324627
Energy: 1.011119767397822
Energy: 0.9276154081657979
Energy: 0.9451768258788494
Energy: 0.7914002577247545
Energy: 0.7214285962318713
Energy: 1.0030706427192955
Energy: 0.8792290341725008
Energy: 1.0785416811836153
Energy: 1.0443598972399069
Energy: 1.0377119862748645
Energy: 0.7605174150249202
Energy: 0.8520843593254113
Energy: 0.9054993469435461
Energy: 0.9832569143817982
Energy: 0.9442242230680671
Energy: 0.9745988652194129
Energy: 1.0329670053298738
Energy: 0.9645053374436596
Energy: 0.8925122842420053
Energy: 0.7496800086486942
Energy: 0.7352720796194988
Energy: 1.0096866163569018
Energy: 0.8749197018009632
Energy: 0.7241687344002328
Energy: 0.9104560081199417
Energy: 0.8601541607713776
Energy: 0.9870270870384061
Energy: 0.985705925950212
Energy: 1.017056822159114
Energy: 0.8606695776352316
Energy: 0.7572625237851398
Energy: 0.8747848903481731
Energy: 0.9093578980499808
Energy: 0.9879591469527537
Energy: 0.9862672036985586
Energy: 0.9702838611111436

minimum gb energy = 0.7068216565766394 eV
minimum distance =  2.24495977225769 Angstroms
sigma value = 21


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

Energy: 1.2017892900024905
Energy: 0.891724541491982
Energy: 0.8727601688787971
Energy: 0.8940522427603518
Energy: 0.9099320064549488
Energy: 0.8941194526792536
Energy: 0.6016056634211897
Energy: 0.9329705828952949
Energy: 0.8981780392541788
Energy: 0.7795778014634548
Energy: 0.8890945539672488
Energy: 0.9347939304109558
Energy: 0.8966878692124064
Energy: 0.9263132740231812
Energy: 0.90611191976827
Energy: 0.8070343630209187
Energy: 0.7776105376653387
Energy: 0.920338739730733
Energy: 0.5805629128776328
Energy: 0.8702906456493525
Energy: 0.9987892384217335
Energy: 0.580405446890885
Energy: 0.96410597914248
Energy: 1.049639711073348
Energy: 0.7602604066316286
Energy: 0.8027395442957703
Energy: 0.9334451070653655
Energy: 0.8489982387153089
Energy: 0.8825171749456139
Energy: 0.9368552738148344
Energy: 0.8519658068856337
Energy: 0.7469381570306133
Energy: 0.7654462680279881
Energy: 0.944453989484139
Energy: 0.893701259823709
Energy: 0.8423035607259163
Energy: 0.7649579343728913
Energy: 1.0026277784514397
Energy: 0.8739733806695043
Energy: 0.6879243920174208
Energy: 0.9255628944039112
Energy: 0.8775879625430683
Energy: 0.7638505810533209
Energy: 0.6974935330431421
Energy: 0.8980399871925936
Energy: 1.0192736795487638
Energy: 0.8599691333914926
Energy: 0.8587567434278497
Energy: 0.8815397455695626
Energy: 0.940797839843227
Energy: 0.730950158363324
Energy: 0.7780324364836155
Energy: 0.880976501757796
Energy: 0.9237350201638185
Energy: 0.8586969591199262
Energy: 0.7951775732608336
Energy: 0.8845474598481625
Energy: 0.9423385669019796
Energy: 0.9054327427353972
Energy: 0.8835759625298155
Energy: 0.8924540954229164
Energy: 0.8839222839246414
Energy: 0.7997196526348753
Energy: 0.8809992362338946
Energy: 0.7111261840040172
Energy: 0.8186893724991628
Energy: 0.8665138352028239
Energy: 0.7598671068246114
Energy: 0.815867996018995
Energy: 0.9058342638473681
Energy: 0.9758757107886686
Energy: 0.8341441444630003
Energy: 0.8338774143542392
Energy: 0.8188347075465714
Energy: 0.8451533834852378
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Energy: 0.8337673057153814
Energy: 0.8992718057014613
Energy: 0.9082398459126215
Energy: 0.9006849007668942
Energy: 0.9814396838182841
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Energy: 0.9805388397571695
Energy: 0.9148386179639928
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Energy: 0.9524881415175166
Energy: 0.8330490825548338
Energy: 0.8867232894519396
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Energy: 1.0464212456565103
Energy: 0.8429830272821393
Energy: 0.9795914295704462
Energy: 0.9517618535518056
Energy: 0.947254257065283
Energy: 0.846282403584408
Energy: 0.9315292907515441
Energy: 0.9210989233726553
Energy: 0.9256420757575171
Energy: 0.8939495757562205
Energy: 0.8048253684677922
Energy: 0.8295472935725481
Energy: 0.995397877674479
Energy: 0.9193592580574309
Energy: 0.8748334412730135
Energy: 0.8837980678107474
Energy: 0.8994084940352163
Energy: 0.9635849319823863
Energy: 0.8900244497436607
Energy: 0.8599592389655571
Energy: 1.0043447649031405
Energy: 0.8845026949783423
Energy: 0.850941443321243
Energy: 0.8843654555243284
Energy: 0.834345767182549
Energy: 0.8292221378426409
Energy: 0.7476293790298981
Energy: 0.7368761748407141
Energy: 0.882443863631031
Energy: 0.8710158562533071
Energy: 0.8403630227891751
Energy: 0.9455888656846125
Energy: 1.1153479071726229
Energy: 0.7552589314953436
Energy: 0.762695096721621
Energy: 0.6515607031077864
Energy: 0.9238159889174612
Energy: 0.39676315234526893
Energy: 0.8006551944893799
Energy: 0.9638667311850819
Energy: 0.7666668010892752
Energy: 0.9119276730049705
Energy: 0.844957299925761
Energy: 0.7875269876501708
Energy: 0.5938386703119964
Energy: 0.888273732524656
Energy: 0.8500104085832646
Energy: 0.8602539503083565
Energy: 0.8453649175915132
Energy: 0.8793778625904626
Energy: 0.801233250837046
Energy: 0.9014379087704953
Energy: 1.0151516398414748
Energy: 0.7726216030280733
Energy: 0.8456427994009026
Energy: 0.9422555717399277
Energy: 0.8868659099911554
Energy: 0.9773648415441505
Energy: 0.8090165890976112
Energy: 0.8653296663212768
Energy: 0.9790206224891426
Energy: 0.8668507229056821
Energy: 0.7623722820365801
Energy: 0.9561157652946212
Energy: 0.9194866474723764
Energy: 0.899087846607511
Energy: 0.9930755535875575
Energy: 0.789036259076894
Energy: 0.9618281763137598
Energy: 0.913541307054919
Energy: 0.8283995414098196
Energy: 0.8108226149658758
Energy: 0.9504043714903053
Energy: 0.9002504646680413
Energy: 0.829487817076604
Energy: 0.7138066682986036
Energy: 0.835546821420659
Energy: 0.9821661269883819
Energy: 0.891710702872121
Energy: 0.9799658038742406
Energy: 0.951758665045497
Energy: 0.8421495342435001
Energy: 0.8093365179557426
Energy: 0.9096734415031659
Energy: 0.8217851867567277
Energy: 0.9329533324862304

minimum gb energy = 0.39676315234526893 eV
minimum distance =  2.24312467645409 Angstroms
sigma value = 113


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

Energy: 1.1420587753708888
Energy: 1.2306982108906044
Energy: -0.7706868856022508
Energy: -0.8213968994197639
Energy: -0.4226381341962214
Energy: 0.15113518869326945
Energy: 1.0816231645426475
Energy: 0.928392722951145
Energy: 0.8813740643793486
Energy: -0.4952164786519284
Energy: 0.4087457992897007
Energy: -0.05109009589321157
Energy: -0.4785453637898253
Energy: -0.22502556392714226
Energy: -0.08270884626134922
Energy: 0.8328012288389568
Energy: 0.771681435178845
Energy: -0.5538452343058317
Energy: -0.5038369621826254
Energy: 0.9232812071775705
Energy: 0.958952650133773
Energy: 0.8269856339366642
Energy: -0.25261685397128714
Energy: 1.1462983944925267
Energy: -0.3570005158349565
Energy: -0.5786413704181843
Energy: 1.0555007312559757
Energy: 0.9213418049542802
Energy: 0.9520502097154558
Energy: 0.79368674704983
Energy: -0.37638514623974717
Energy: 0.7309767902139006
Energy: 0.7198324794295969
Energy: -0.32164185704913695
Energy: 0.7098358431576818
Energy: 0.9268959995149039
Energy: 0.7626664414580631
Energy: 0.8865798108804693
Energy: -0.453780230867368
Energy: 0.8638270411606522
Energy: 0.9424727675870118
Energy: 0.7828048082444983
Energy: 0.9765301223640646
Energy: 0.7392324585893288
Energy: -0.27638269402562343
Energy: 0.8459053904656537
Energy: 0.7929874677971028
Energy: 0.7905903507674068
Energy: -0.317428733627866
Energy: 0.9907081174972968
Energy: 0.6718225013189217
Energy: 0.7172845624879323
Energy: 0.8028266239411708
Energy: -0.3497705350608345
Energy: 0.7029857501032682
Energy: 0.7361819920503481
Energy: -0.4409977755787476
Energy: 0.7583405916546182
Energy: 0.9131163262729642
Energy: 0.7218347563354442
Energy: 0.7466314434041535
Energy: 0.8376396039065477
Energy: 0.8524256834050454
Energy: 1.104000382202928
Energy: 0.7482344874136132
Energy: 0.7826226252263009
Energy: 0.6539269957938693
Energy: 0.6766291013988927
Energy: 0.7702236246861988
Energy: 0.6903301897579162
Energy: 1.066704941878934
Energy: 0.7432620750179413
Energy: -0.20065624212941038
Energy: 0.6496568994292031
Energy: 0.6576903005672331
Energy: -0.574635059216215
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Energy: 0.8451722762764712
Energy: 0.6947038884773932
Energy: 0.8883864247230779
Energy: 0.8862566957290521
Energy: 0.8988039984780427
Energy: 0.6936569498235348
Energy: 0.7133424540789636
Energy: -0.33637735405775104
Energy: 0.6842792785091321
Energy: 0.8788749644738164
Energy: 0.7260088157574834
Energy: 0.736044976299776
Energy: -0.5886849784711339
Energy: 0.7911156477858734
Energy: 0.9793297035534027
Energy: 0.7338327595240491
Energy: 0.8698635327340509
Energy: 0.7750849008408354
Energy: 0.8089917842088815
Energy: 0.9075896896570095
Energy: 0.6929961655255614
Energy: 0.8604928823326126
Energy: 0.8918213031837269
Energy: 0.9430080743477273
Energy: 0.6809720082584434
Energy: 0.510927614326638
Energy: 0.940742522974029
Energy: 0.8001033549722806
Energy: 0.889156796361811
Energy: 0.6452994367820823
Energy: -0.4397705640122963
Energy: 0.7426482427206484
Energy: -0.751481810469459
Energy: -0.10782695167099421
Energy: 0.7920197967011592
Energy: 1.0437288704877699
Energy: 0.9451716530043787
Energy: 0.2044897777647939
Energy: 0.8242058834158834
Energy: -0.3716432554997387
Energy: -0.7954481513709442
Energy: 0.8261534611557673
Energy: -0.3688997884901017
Energy: 0.03315219029342979
Energy: -0.34273240969250096
Energy: -0.2382926969684023
Energy: -0.4333439074337514
Energy: 0.8997052816679126
Energy: 0.8742828145860119
Energy: -0.440860363547613
Energy: -0.38178426833156853
Energy: -0.47454405647065767
Energy: 0.7556764519652134
Energy: 0.25728827570108753
Energy: -0.15717424507592018
Energy: -0.5119905631825116
Energy: 0.9591580148042407
Energy: -0.1976379328084438
Energy: -0.5500933490027412
Energy: -0.16745423591509645
Energy: 0.350849391349495
Energy: 1.1257452230188219
Energy: -0.5147739288443217
Energy: 0.27303548540041095
Energy: 0.669690788234082
Energy: -0.7912827868439495
Energy: -0.34549661456819375
Energy: -0.17979023360761207
Energy: 0.9094399757694107
Energy: -0.5115770383954363
Energy: -0.45068182716069216
Energy: 0.7780717707785053
Energy: -0.8215977434878504
Energy: -0.1716481656934518
Energy: -0.5751137728823863
Energy: 0.8472363776091412
Energy: 0.8103745522473438
Energy: -0.29538469910347376
Energy: -0.3266705017174048
Energy: -0.8787467487775029
Energy: -0.8053573461722284
Energy: -0.38253534898534464
Energy: -0.15329624755037413
Energy: -0.21762975566843515
Energy: 0.8651349902267512
Energy: 0.8629514897672856
Energy: 0.8003565182736809
Energy: -0.3453594044327858
Energy: -0.18528730860765733
Energy: 0.8811010012593248
Energy: -0.36238986648937616
Energy: 0.916358625791943
Energy: 0.7605890013503785
Energy: -0.013871588334346556
Energy: -0.587298268019555
Energy: -0.8287011310149379
Energy: 0.9446340806443297
Energy: 0.9149186961036656
Energy: 1.1097726381322572
Energy: -0.30951238854982926
Energy: 0.05172892741738431
Energy: -0.5691460790858577
Energy: -0.6022015134092952
Energy: 1.055792570066249
Energy: 0.849713215218437
Energy: 0.9958836609632645
Energy: 0.794605688056087
Energy: -0.3945868285255846
Energy: 0.7687399973560141
Energy: -0.42607021331665534
Energy: -0.29048875379101435
Energy: 0.7062227720816354
Energy: 0.9293606704887604
Energy: 0.733261671337481
Energy: 0.9447430097543303
Energy: 0.30330946675597364
Energy: -1.0804385321928278
Energy: 0.9022898936830299
Energy: 0.8718529599483663
Energy: 0.9097147659361957
Energy: 0.6787226254789231
Energy: 0.909767943944109
Energy: 0.8560689912628676
Energy: 0.8061752400491197
Energy: 0.8007810420888235
Energy: 0.7969668558468344
Energy: 0.8370090129836427
Energy: 0.6970285796928565
Energy: 0.6868985555244552
Energy: -0.5224915918596316
Energy: -0.5696061243823825
Energy: -0.7335593154132413
Energy: 0.7307261697797166
Energy: 0.8422974548185617
Energy: 0.7582786841951249
Energy: 0.8202289136235926
Energy: 0.7913391932931465
Energy: 0.7847345838553154
Energy: 0.7769752401426616
Energy: 0.8530658398152556
Energy: 0.9502150009831725
Energy: 0.761305983693091
Energy: 0.781922382488806
Energy: 0.6527793416840145
Energy: 0.689497951865375
Energy: -0.301641261420738
Energy: 0.6815738648109708
Energy: 1.0701360471423396
Energy: 0.733839703972232
Energy: 0.7020727546311859
Energy: 0.7661437696608757
Energy: 0.690339844650602
Energy: -0.532094510780199
Energy: 0.7681123293998775
Energy: 0.8446541236288445
Energy: 0.7114307248171062
Energy: 0.6510684086262626
Energy: 0.886477655604105
Energy: 0.858884296637361
Energy: 0.7254760319861874
Energy: 0.7174740657930591
Energy: -0.29458994482321116
Energy: 0.6850487922455015
Energy: 0.6878339337473953
Energy: 0.7530561461503847
Energy: -0.44677452649526445
Energy: 0.7013791571537067
Energy: 0.6588244927301942
Energy: 0.9115397896701366
Energy: 0.7982509273346795
Energy: 0.8406617537093987
Energy: 0.7782066515304322
Energy: 0.8091706751964747
Energy: 0.9103597521052558
Energy: 0.6938270659476421
Energy: 0.857300523312223
Energy: 0.7355470944565532
Energy: 0.9445066545068252
Energy: 0.7366420869617164
Energy: 0.5423306266663991
Energy: 0.9524666191805066
Energy: 0.7963951047042952
Energy: 0.9507238582200184
Energy: 0.6360169971788663
Energy: -0.1753647332805917
Energy: 0.8218024629759197
Energy: -0.7504997908218521
Energy: -0.7249806926024106
Energy: 0.7024634025398796
Energy: 1.0533480926684198
Energy: 0.8464995596139845
Energy: 0.9278402539546478
Energy: 0.8229672338130869
Energy: -0.793895378038148
Energy: -1.242249188199876
Energy: 0.7862441056985848
Energy: -0.516649111305968
Energy: 0.823147416539995
Energy: -0.4432476200310765
Energy: 0.6992346233634509
Energy: -0.5856896443230314
Energy: 0.8566446718968621
Energy: -0.2737936967644538
Energy: 1.0332187200364897
Energy: 0.8633505384828305
Energy: -0.041250127319895906
Energy: 0.8392891071907685
Energy: -0.2848255265564933
Energy: -0.44512460009977317
Energy: -0.5052795786758026
Energy: 0.961720910992538
Energy: -0.17476911066492218
Energy: -0.5508713287835428
Energy: 0.16907551903272264
Energy: -0.3415125475218658
Energy: -0.11924246893624708
Energy: -0.2622138911838651
Energy: 0.9678893989848657
Energy: 0.7992460427179197
Energy: -0.7636819097363136
Energy: -0.3965516639791563
Energy: -0.5730407819533524
Energy: 0.8475150233945068
Energy: -0.3339070920034731
Energy: -0.37532750183328806
Energy: 0.741615175998909
Energy: -0.8407261758570904
Energy: -0.3482835504589467
Energy: -0.25539672451089374
Energy: 0.9095830383689554
Energy: 0.8102901744143695
Energy: -0.32399223402056865
Energy: -0.4034368411538791
Energy: -0.884335318606394
Energy: -0.7985613020723482
Energy: -0.24674723585107802
Energy: -0.4132205474458618
Energy: -0.4593868553351242

minimum gb energy = -1.242249188199876 eV
minimum distance =  2.2293235764948 Angstroms
sigma value = 365


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

Energy: 1.0111588271835843
Energy: 0.5315089992904009
Energy: 0.532553488123859
Energy: 0.5312996639520114
Energy: 0.5326833302704121
Energy: 0.5325861181711286
Energy: 0.5295867935449389
Energy: 0.509776643046103
Energy: 0.5752787248779659
Energy: 0.9496298559019328
Energy: 0.5272356574895065
Energy: 0.5305778366271203
Energy: 0.5281990447678256
Energy: 0.5802667173588666
Energy: 0.9553686156782596
Energy: 0.5741614395685167
Energy: 0.5307237514451877
Energy: 0.5330286846224297
Energy: 0.5331451996323809
Energy: 0.5345574850333588
Energy: 0.5263984179607303
Energy: 0.955262244530328
Energy: 0.5795001775206104
Energy: 0.534671632427328
Energy: 0.5307499113786831
Energy: 0.5316885532304136
Energy: 0.5327573821904508
Energy: 0.5314529195778774
Energy: 0.9924151625779145
Energy: 0.5741282341981206
Energy: 0.5161233384697219
Energy: 0.5739227266957333
Energy: 0.6522892905540084
Energy: 0.5168607562218103
Energy: 0.581466045940579
Energy: 1.0117656007715885
Energy: 0.9020407748416153
Energy: 0.5319437573960589
Energy: 0.5305853101595324
Energy: 0.5329665745743097
Energy: 0.533039675753624
Energy: 0.528832539278783
Energy: 0.9540978879123877
Energy: 0.5742750533432018
Energy: 0.5318309242437396
Energy: 0.5273341812404422
Energy: 0.5288201685875561
Energy: 0.532643215037906
Energy: 0.573272963414953
Energy: 0.9543205626412306
Energy: 0.5745391272873825
Energy: 0.5319146519850435
Energy: 0.5332125457962523
Energy: 0.5275999445654818
Energy: 0.5353680981219959
Energy: 0.5760774133526879
Energy: 0.9564597867855019
Energy: 0.9019164555374258
Energy: 0.5335855234165039
Energy: 0.5308796132413712
Energy: 0.5325999429627527
Energy: 0.5315719266976892
Energy: 0.5323659255365725
Energy: 0.9919217050995043
Energy: 0.5749198049527251
Energy: 0.5173944579649583
Energy: 0.5701746870745706
Energy: 0.568097215025964
Energy: 0.8797816085842141
Energy: 0.5669383507139741
Energy: 0.9562755375391375
Energy: 0.5805023447907226
Energy: 0.5331967419953273
Energy: 0.5316814934583574
Energy: 0.5315616106505474
Energy: 0.533611933358778
Energy: 0.528013112850313
Energy: 0.9546195638854145
Energy: 0.5842462994533273
Energy: 0.535115966091175
Energy: 0.5276915348099916
Energy: 0.5308396113105948
Energy: 0.5317309381085982
Energy: 0.5746419625284909
Energy: 0.9541022522607459
Energy: 0.5766514185447604
Energy: 0.5308405793049271
Energy: 0.5285143864080735
Energy: 0.5276422986390761
Energy: 0.5317362363168432
Energy: 0.5763783508543745
Energy: 1.0114706268860187
Energy: 0.9024361173050031
Energy: 0.5326916884977335
Energy: 0.530223911573
Energy: 0.5321414843785973
Energy: 0.5327310585736533
Energy: 0.5312787483700916
Energy: 0.5102977995220462
Energy: 0.57433036796396
Energy: 0.5176483216524596
Energy: 0.6526238400080294
Energy: 0.5286022859922708
Energy: 0.5288120272069445
Energy: 0.5727038752797959
Energy: 0.9562288884717712
Energy: 0.5716818933181909
Energy: 0.5338390674645321
Energy: 0.5323797892545655
Energy: 0.5311336868209267
Energy: 0.5346089143525408
Energy: 0.5273724922686084
Energy: 0.9559805565230687
Energy: 0.5857829883721316
Energy: 0.5342238386280913
Energy: 0.5328433590463492
Energy: 0.5322555619659957
Energy: 0.5312988475579494
Energy: 0.5334731911915603
Energy: 0.5094852601304092
Energy: 0.5734787750669272
Energy: 0.9499427148825249
Energy: 0.5284357748974526
Energy: 0.5312833970440274
Energy: 0.5249758814342306
Energy: 0.5771697430186418
Energy: 1.011293084732245
Energy: 0.5780859878389324
Energy: 0.5323343851062524
Energy: 0.5316322756805459
Energy: 0.532283878477413
Energy: 0.5330823561684047
Energy: 0.530356420558763
Energy: 0.9541246045266649
Energy: 0.5758110596412069
Energy: 0.5276597923251913
Energy: 0.5266010820509288
Energy: 0.52931697663639
Energy: 0.5320293972803894
Energy: 0.5770043451574615

minimum gb energy = 0.5094852601304092 eV
minimum distance =  2.39896615384313 Angstroms
sigma value = 23