Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.01864129360837362
Energy: 0.023609091043646006
Energy: 0.11414445702551732
Energy: 0.11266978325271765
Energy: 0.02268899279980427
Energy: 0.019960539193346363
Energy: 0.11372660528848194
Energy: 0.11477573506365583
Energy: 0.1124476236606955
Energy: 0.02217514988356166
Energy: 0.0286831019295282
Energy: 0.11825315056060016
Energy: 0.11347397072568492
Energy: 1.0832206375611626
Energy: 0.11370224176464731
Energy: 0.1117855400164271
Energy: 0.11808379250070304
Energy: 0.11349711874995501
Energy: 1.0678225840994622
Energy: 0.1128401846975798
Energy: 0.11312928218342479
Energy: 0.024463181766128213
Energy: 0.01900497616480154
Energy: 0.11247300296455486
Energy: 1.0561377719184493
Energy: 0.11566625503184753
Energy: 0.023480016312166223
Energy: 0.01902862849858324
Energy: 0.11090432039017097
Energy: 0.11292929878282451
Energy: 0.11551360881335511
Energy: 0.019755145763048595
Energy: 0.027616156352086845
Energy: 0.11657047900982975
Energy: 0.11161571091011188
Energy: 0.11358893574693328
Energy: 0.020972481137979306
Energy: 0.028872291648933665
Energy: 0.11791187758956426
Energy: 0.1113471836055023
Energy: 0.11231109705499084
Energy: 0.11220647749746461
Energy: 0.11484284312739063
Energy: 0.025172124414100144
Energy: 0.019458971984093413
Energy: 0.11216816977949065
Energy: 0.11286266897740184
Energy: 0.11464028540832427
Energy: 0.024202517559142076
Energy: 0.11692744024171728
Energy: 0.11392079764391155
Energy: 1.0458415633320703
Energy: 0.11318776319432529
Energy: 0.019619091077295103
Energy: 0.02681989810183781
Energy: 0.11543020030167443
Energy: 1.0472291989033562
Energy: 0.11281492109073435
Energy: 0.020161060122929616
Energy: 0.02821106744411547
Energy: 0.027304839791494548
Energy: 0.1157678020672379
Energy: 1.0707088823484332
Energy: 0.11439686296888502
Energy: 0.11654030488066332
Energy: 0.026020444939350823
Energy: 0.11654027474534233
Energy: 0.11244151242013416
Energy: 0.11463388201039437
Energy: 0.11486122906185078

minimum gb energy = 0.01864129360837362 eV
minimum distance =  2.49855855630889 Angstroms
sigma value = 3


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

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Energy: 0.2987903060501843
Energy: 0.5571465580838263
Energy: 0.5573638847651157
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Energy: 0.8968803466560608
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Energy: 0.7303957304979934
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Energy: 0.7250492964293643
Energy: 0.7210643227141847
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Energy: 0.5919602668021849
Energy: 0.970241801020249
Energy: 0.7312087433502653
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Energy: 0.615840127764584
Energy: 0.6211407949847033
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Energy: 0.7302949347709213
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Energy: 0.4849859796016043
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Energy: 0.5444996565274484
Energy: 0.6819360297637785
Energy: 0.6379897508433936
Energy: -0.2560297952857088
Energy: -0.2702407922003329
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Energy: -0.011656596139591623
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Energy: 0.6219684195768123
Energy: 0.6084248220980722
Energy: 0.6439918634656023
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Energy: 0.852715370820154
Energy: 0.7504402600501567
Energy: 0.5425486517721078
Energy: 0.8669185284546189
Energy: -0.29649900705974974
Energy: 0.8541879910571657
Energy: 0.7329831811444437
Energy: 0.5418508583289336
Energy: -0.7967913353946373
Energy: 0.1691424091875991
Energy: 0.715437698675792
Energy: 0.15571582949499807
Energy: 0.7881555905783836
Energy: -0.7972588878002428
Energy: -0.7969020137002851
Energy: -0.060462790654136005
Energy: -0.14971198097978916
Energy: 0.09358099000075334
Energy: -0.1642844758520003
Energy: 0.7410549355199693
Energy: 0.5632157640534893
Energy: 0.6795725516487087
Energy: -0.43988856658061776
Energy: -0.2976111076171442
Energy: -0.17838808453118474
Energy: 0.5569656520286524
Energy: 0.8932089424955106
Energy: 0.6988745427489487
Energy: 0.13508635005132918
Energy: 0.14954001455131757
Energy: 0.5583255666324692
Energy: 0.5579186394784024
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Energy: -0.01497797035227445
Energy: 0.543047877240136
Energy: 0.5581652363841796
Energy: 0.5580398033060925
Energy: -0.0802761456275349

minimum gb energy = -0.84489004194887 eV
minimum distance =  2.3783949454789 Angstroms
sigma value = 75


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

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Energy: 0.9079017162348301
Energy: 0.9062757521063408
Energy: 0.9154869795257766
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Energy: 0.719863758000204
Energy: 1.0098415648174885
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minimum gb energy = 0.19497747605278648 eV
minimum distance =  2.22335462261021 Angstroms
sigma value = 105


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

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Energy: 0.8883331842257206
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Energy: 0.8961691942285129
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Energy: 0.8985356165140572
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Energy: 0.9182690500290627
Energy: 0.89255099298942
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Energy: 0.996781130277292
Energy: 0.9204110335947394
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Energy: 0.8865226859944415
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Energy: 0.8929974056018641
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Energy: 0.8988872574229838
Energy: 0.8893156822552968
Energy: 0.8929805826152742
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Energy: 0.918069176906013
Energy: 0.8924675867567986
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Energy: 0.9140959556871256
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Energy: 0.9157569426344873
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Energy: 0.8470549202856047
Energy: 0.913585003875896
Energy: 0.8803473024551978
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Energy: 0.9047359196037996
Energy: 0.8833194413842721
Energy: 0.9225405568297806
Energy: 0.9241544988612401
Energy: 0.9134701129807316
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Energy: 0.904689972319559
Energy: 0.9559355117664294
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Energy: 0.8501379019931732
Energy: 0.9519272904027787
Energy: 0.9390962457383148
Energy: 0.9570385806196353
Energy: 0.9054613918872119
Energy: 0.9631871521923031
Energy: 0.9713219240495289
Energy: 0.9474883348883689
Energy: 0.9541073576911308
Energy: 0.9412602195454887
Energy: 0.8970210233600482
Energy: 0.7930411011172788
Energy: 0.9379963909835978
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Energy: 0.8560571226566729
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Energy: 0.91993220956718
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Energy: 0.7149069729058752
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Energy: 0.910555458346914
Energy: 0.9511056454015716
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Energy: 0.7045096329153401
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Energy: 0.9031959395707609
Energy: 0.8638859911198666
Energy: 0.8536124030680469
Energy: 0.8541120344633361
Energy: 0.9147933437346447
Energy: 0.8802627554654355
Energy: 0.8632928203453167
Energy: 0.8568063625627289
Energy: 0.8657937287530859
Energy: 0.9147396244416952
Energy: 0.9055999063460963
Energy: 0.9148373245279232
Energy: 0.8784497658756667
Energy: 0.852238344642283
Energy: 0.9487440449820965
Energy: 0.8331513213307641
Energy: 0.8857103699111667
Energy: 0.8030122067851375
Energy: 0.8564596385759791
Energy: 0.940779011214163
Energy: 0.90075093128393
Energy: 0.9229186220806816
Energy: 0.9233009499397801
Energy: 0.8291320576073669
Energy: 0.8860595136568479
Energy: 0.8335336081536718
Energy: 0.9225176775629351
Energy: 0.8987294605044128
Energy: 0.9346042599156185
Energy: 0.9139941438073396
Energy: 0.8815520528020077
Energy: 0.9452491638456056
Energy: 0.8960117233439497
Energy: 0.8984023519619634
Energy: 1.081312952661985
Energy: 0.8233861277827733
Energy: 0.8977862899638394
Energy: 0.8874068211814916
Energy: 0.8983000033483615
Energy: 0.8866877137790745
Energy: 0.8434662906794332
Energy: 0.8016418987562671
Energy: 0.8470826548276371
Energy: 0.8235009889497793
Energy: 0.7866162711739694
Energy: 0.8266172933926828
Energy: 0.8003397892140794
Energy: 0.8846638852192901
Energy: 0.9059001272541666
Energy: 0.7867389099610468
Energy: 0.9121641044513006
Energy: 0.9351342063360872
Energy: 0.8203465412024005
Energy: 0.8690478364836761
Energy: 0.8831564748340001
Energy: 0.8918620242813645
Energy: 0.9327995488721509
Energy: 0.9048296098111036
Energy: 0.8695102547535628
Energy: 0.8725270471446774
Energy: 0.8956413600943338
Energy: 0.9773863253034573
Energy: 0.7194522325084243
Energy: 0.7108532030068496
Energy: 0.8213708353946384
Energy: 0.8969818909834303
Energy: 0.9129846555499666
Energy: 0.7137540547693845
Energy: 0.8072400099162771
Energy: 0.8939319506654284
Energy: 0.8892636964731389
Energy: 0.70374198875562
Energy: 0.7138985683169228
Energy: 0.7112529819894505
Energy: 0.701793962712929
Energy: 0.9878077901199295
Energy: 0.7031954614165741
Energy: 0.834014656275511
Energy: 0.7111241685405038
Energy: 0.8496341908701005

minimum gb energy = 0.0717641836982927 eV
minimum distance =  2.21789333063132 Angstroms
sigma value = 165


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

Energy: 0.9277451926695766
Energy: 0.858650472296369
Energy: 0.29941300753484107
Energy: 0.34041625220302985
Energy: 0.8206519412786508
Energy: 0.8877396439210173
Energy: 0.3411589566697027
Energy: 0.8856873996588697
Energy: 0.7515376795005672
Energy: 0.8575566157359451
Energy: 0.8735116209350531
Energy: 0.9324856457841624
Energy: 0.8781721327458335
Energy: 0.33316180771480325
Energy: 0.7320563560383031
Energy: 0.8509993436549322
Energy: 0.11207493931195925
Energy: 0.33983623254780504
Energy: 0.34314843521477517
Energy: 0.34085713166845943
Energy: 0.9196662650897023
Energy: 0.9489672769332155
Energy: 0.9010997779636177
Energy: 0.9084625988483956
Energy: 0.8729983659840781
Energy: 0.9116988844425828
Energy: 0.38123873306557376
Energy: 0.8993993902524171
Energy: 0.9191578156274404
Energy: 0.8735753464565322
Energy: 0.9232696946661754
Energy: 0.875494531876338
Energy: 0.9380681514194006
Energy: 0.8428349860151472
Energy: 0.8735043085466948
Energy: 0.9531197086947384
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Energy: 0.38074011394545776
Energy: 0.8810424987339311
Energy: 0.8727317441886087
Energy: 0.9114676522252915
Energy: 0.866151917102858
Energy: 0.9362650698853004
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Energy: 0.8647644442493527
Energy: 0.8798359660915788
Energy: 0.9334971108502097
Energy: 0.9124947806444756
Energy: 0.8637982779409366
Energy: 0.8792011597896854
Energy: 0.9115787951376438
Energy: 0.8531587936010195
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Energy: 0.8786647366271618
Energy: 0.2952167708913476
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Energy: 0.8749300866718348
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Energy: 0.9427658940836471
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Energy: 0.952238845778155
Energy: 0.8204121036787462
Energy: 0.8218162471130294
Energy: 0.889257644685999
Energy: 0.9095271982257525
Energy: 0.9105164989392514
Energy: 0.9076466033570513
Energy: 0.8427939912248136
Energy: 0.8997676215868098
Energy: 0.9152096787942364
Energy: 0.9142717509954799
Energy: 0.8342034680100854
Energy: 0.9541724761136368
Energy: 0.8973518890392844
Energy: 0.9137441778516123
Energy: 0.8942992850910945
Energy: 0.9022520132755054
Energy: 0.9638553308736844
Energy: 0.919781779582589
Energy: 0.11000797756727487
Energy: 0.9076250656511813
Energy: 0.8754612344464112
Energy: 0.8577980105824785
Energy: 0.9064452515937028
Energy: 0.8913879937720405
Energy: 0.91791749603825
Energy: 0.8718894187360284
Energy: 0.8806158186264721
Energy: 0.3809159413634853
Energy: 0.9190479496461441
Energy: 0.9245818157069797
Energy: 0.8727743086485624
Energy: 0.9088814752387727
Energy: 0.9105287794717236
Energy: 0.9225172011628738
Energy: 0.9325811537418197
Energy: 0.9066665262082548
Energy: 0.8949688166319482
Energy: 0.856606862979379
Energy: 0.9192217382323665
Energy: 0.9149667816154694
Energy: 0.9307820541061295
Energy: 0.8598831511227362
Energy: 0.9497422685302498
Energy: 0.9163409081855273
Energy: 0.2950554908088696
Energy: 0.299392063419389
Energy: 0.8796282111570853
Energy: 0.8673141166890471
Energy: 0.851909043949096
Energy: 0.9333729532485151
Energy: 0.8868665433904209
Energy: 0.9324975011562379
Energy: 0.8958809541346482
Energy: 0.9239535852419761
Energy: 0.8595302125211719
Energy: 0.11126963895902307
Energy: 0.8523189252747353
Energy: 0.8794654022480207
Energy: 0.886779309599495
Energy: 0.8594118843294839
Energy: 0.8804663212503917
Energy: 0.8585449470495142
Energy: 0.9683510692938687
Energy: 0.3345515546538204
Energy: 0.34014913025695187
Energy: 0.1124646832377933
Energy: 0.8257781816308537
Energy: 0.9136149725324266
Energy: 0.7479107576188998
Energy: 0.878864348625546
Energy: 0.9352621065488663

minimum gb energy = 0.11000797756727487 eV
minimum distance =  2.23206398004079 Angstroms
sigma value = 41


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

Energy: 1.0223813269245488
Energy: 0.6952880219612358
Energy: 0.6396665823759116
Energy: 0.6703640073922604
Energy: 0.6760977519912259
Energy: 0.731309155978836
Energy: 0.6692702259365398
Energy: 0.681876628790209
Energy: 0.6947749628662314
Energy: 0.7419035154923578
Energy: 0.7580714398546906
Energy: 0.723698697606239
Energy: 0.6968844146377723
Energy: 0.6743332679661836
Energy: 0.713741096789265
Energy: 0.7462845446121232
Energy: 0.6966591776253956
Energy: 0.6527657991052964
Energy: 0.6774360576570276
Energy: 0.7217138531217867
Energy: 0.7453690934585346
Energy: 0.7673168592085822
Energy: 0.7545243448498491
Energy: 0.7301210330456828
Energy: 0.7492167138101595
Energy: 0.7071498096972475
Energy: 0.7000714870104708
Energy: 0.7044967947259548
Energy: 0.7371591893923756
Energy: 0.7525812599040974
Energy: 0.7376413728881318
Energy: 0.7244285412815329
Energy: 0.7708421750774342
Energy: 0.7171429527406021
Energy: 0.9167949194454558
Energy: 0.7256786452096905
Energy: 0.6522244802007717
Energy: 0.7335777369007522
Energy: 0.7386517179586927
Energy: 0.8612504446919019
Energy: 0.7802638117261008
Energy: 0.7289533906485116
Energy: 0.7847898125949936
Energy: 0.7727954066103926
Energy: 0.733714274312396
Energy: 0.7488380275670202
Energy: 0.7344582235315302
Energy: 0.7814981805903533
Energy: 0.7749272246460986
Energy: 0.7775230084731
Energy: 0.7621967027103481
Energy: 0.7247331488582822
Energy: 0.7488896876489215
Energy: 0.7455351815636497
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Energy: 0.7839096477831251
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Energy: 0.7669423797933396
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Energy: 0.7520308263275126
Energy: 0.750393708750977
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Energy: 0.8311394216206485
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Energy: 0.7133384957246008
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Energy: 0.7163383343171288
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Energy: 0.7084111590093017
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Energy: 0.7632372401490445
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Energy: 0.7026011760002218
Energy: 0.7180100795357759
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Energy: 0.6923525089265529
Energy: 0.6426939788818249
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Energy: 0.6973623357505001
Energy: 0.7948471367002389
Energy: 0.7226547007619385
Energy: 0.651859814230834
Energy: 0.6993445248074381
Energy: 0.7172203333389943
Energy: 0.7562878775842251
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Energy: 0.7037064745636881
Energy: 0.7253066486969694
Energy: 0.7446938947230161
Energy: 0.7308464453431112
Energy: 0.6902804015588341
Energy: 0.7168221359299007
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Energy: 0.7643360871706785
Energy: 0.7542286267775262
Energy: 0.6929180909476996
Energy: 0.7184067560254742
Energy: 0.7365791633257001
Energy: 0.7397700106862494
Energy: 0.7089629668284612
Energy: 0.7070540765805479
Energy: 0.711445367022146
Energy: 0.730646899859687
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Energy: 0.6963011341281693
Energy: 0.707789781890389
Energy: 0.7391444601624526
Energy: 0.7781637043279708
Energy: 0.7353829190111443
Energy: 0.7304379391364051
Energy: 0.7309068276640428
Energy: 0.7403153051094834
Energy: 0.7813878417142535
Energy: 0.7576983684770204
Energy: 0.7136573482324032
Energy: 0.7320530858508014
Energy: 0.7570348787553122
Energy: 0.7769496850241763
Energy: 0.7592848153794503
Energy: 0.8112613988532388
Energy: 0.7633410818268596
Energy: 0.745618896396359
Energy: 0.788897646821228
Energy: 0.7651623824989455
Energy: 0.7503622385378387
Energy: 0.7435840573420315
Energy: 0.7443121008098764
Energy: 0.7729246018218825
Energy: 0.7619167498193846
Energy: 0.7745445914518926
Energy: 0.7437075606500421
Energy: 0.7428570764379371
Energy: 0.7408492208471787
Energy: 0.7391208248644042
Energy: 0.7629688092368665
Energy: 0.7431278072840923
Energy: 0.7431398548127439
Energy: 0.7495959567829656
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Energy: 0.7780969640034694
Energy: 0.774852642850376
Energy: 0.8608349577650038
Energy: 0.765317934801776
Energy: 0.7905274240658924
Energy: 0.778002073376576
Energy: 0.7691075085433545
Energy: 0.7670104808652941
Energy: 0.7658898630443829
Energy: 0.8158899287897647
Energy: 0.7472730660500249
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Energy: 0.7461062794523114
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Energy: 0.7788464648111865
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Energy: 0.710925762763523
Energy: 0.7322450219092292
Energy: 0.7413075403644293
Energy: 0.7356256494171062
Energy: 0.762965603019387
Energy: 0.8795623122170968
Energy: 0.7804104196972462
Energy: 0.7867098910391916
Energy: 0.7361189689615683
Energy: 0.7504697955999359
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Energy: 0.776363454698612
Energy: 0.775853477404543
Energy: 0.7179831100309091
Energy: 0.7334769204145615
Energy: 0.7403796880035636
Energy: 0.6945035858919414
Energy: 0.7112518922725591
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Energy: 0.7333524067504932
Energy: 0.7402897642318093
Energy: 0.7405087718502786
Energy: 0.7169017994866609
Energy: 0.7461885711349461
Energy: 0.7771949773950309
Energy: 0.764520908891555
Energy: 0.7319786698329616
Energy: 0.6908114463912769
Energy: 0.7423999104561257
Energy: 0.7821733977916059
Energy: 0.7715729386287407
Energy: 0.7355189358054527
Energy: 0.6948191307526839
Energy: 0.7492310173767364
Energy: 0.7396714413981847
Energy: 0.7310408019217144
Energy: 0.6896552056200264
Energy: 0.7192955440784664
Energy: 0.6960050099932222
Energy: 0.8589100029609543
Energy: 0.6767591825070988
Energy: 0.7297528981786318
Energy: 0.7050853798671707
Energy: 0.7227688041109219
Energy: 0.7403473236489095
Energy: 0.6899714515123729
Energy: 0.6663356629873463
Energy: 0.6428575722427171
Energy: 0.7141055098082103
Energy: 0.7407676708471828
Energy: 0.6700865659844715
Energy: 0.7054231357847179
Energy: 0.696662395119951
Energy: 0.7617929659816288
Energy: 0.7675440535987803
Energy: 0.7105792207745505
Energy: 0.6377160302836895
Energy: 0.6651175166019774
Energy: 0.7254387331502908
Energy: 0.7413249643645986
Energy: 0.7080647252560888
Energy: 0.6643499004151074
Energy: 0.7192558943161607
Energy: 0.7457161866662004
Energy: 0.6681018053626796
Energy: 0.6948854922853364
Energy: 0.6573225857459571
Energy: 0.6955214187783648
Energy: 0.7350209591970673
Energy: 0.6692064995596354
Energy: 0.6970558560311452
Energy: 0.6978734945064345
Energy: 0.6986829631710743

minimum gb energy = 0.5758281266360716 eV
minimum distance =  2.32436519800847 Angstroms
sigma value = 185


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

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Energy: 0.6038866234387756
Energy: 0.5484833756052917
Energy: 0.523224191407125
Energy: 0.4015906500808555
Energy: 0.40106820523561504
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Energy: 0.6925627060651622
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Energy: 0.5536966014693313
Energy: 0.8061802015296413
Energy: 0.5806714021840719
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Energy: 0.40439346727482905
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Energy: 0.5736971641582957
Energy: 0.36010097309066996
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Energy: 0.5596003128904747
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Energy: 0.3606426039587595
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Energy: 0.532492912486066
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Energy: 0.642255325909208
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Energy: 0.4051131154388964
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Energy: 0.5486481575557441
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Energy: 0.5259465116256496
Energy: 0.663432023817134
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Energy: 0.6306276443093537
Energy: 0.744135188418158
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Energy: 0.3099688525185383
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Energy: 0.5396319325370349
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Energy: 0.4684354737381851
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Energy: 0.4587897966644601
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Energy: 0.3597886682356631
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Energy: 0.3604088056208161
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Energy: 0.6227551432354049
Energy: 0.4631237068356292
Energy: 0.45833246419628354
Energy: 0.4575920489614239
Energy: 0.47746016441139655
Energy: 0.6555887798476395
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Energy: 0.546315686774297
Energy: 0.3651800005764052
Energy: 0.4737041529156386
Energy: 0.7644986519258262
Energy: 0.46049999618710064
Energy: 0.47324062019213703
Energy: 0.548187005562639
Energy: 0.4845434376048046
Energy: 0.5322626514128355
Energy: 0.5350236495812619
Energy: 0.405242023587617
Energy: 0.5756699531809568
Energy: 0.5898009886061499
Energy: 0.5291555892186177
Energy: 0.5676969464093891
Energy: 0.5038575529190209
Energy: 0.512613350288487
Energy: 0.6338175444514457
Energy: 0.5261189113281756
Energy: 0.40807595417661585
Energy: 0.40482357955656817
Energy: 0.54175348444345
Energy: 0.38323621680423336
Energy: 0.6308870026646878
Energy: 0.49064143032725743
Energy: 0.5088731416490982
Energy: 0.6568100965148019
Energy: 0.677466273083184
Energy: 0.5352591913708032
Energy: 0.5743086168663288
Energy: 0.44158073167365924
Energy: 0.5406727517220489
Energy: 0.5135804783076642
Energy: 0.5329347503490702
Energy: 0.5534522547671089
Energy: 0.444748531885275
Energy: 0.5624972863834664
Energy: 0.8031874534901927
Energy: 0.570321353341283
Energy: 0.6941516771724281
Energy: 0.49598202433866817
Energy: 0.5432468185903444
Energy: 0.5075505598850464
Energy: 0.6338257213783817
Energy: 0.4009786182205324
Energy: 0.5240146421926432
Energy: 0.5703877866529447
Energy: 0.6807922252891738
Energy: 0.565591880856474

minimum gb energy = 0.3099688525185383 eV
minimum distance =  2.28540249267988 Angstroms
sigma value = 33


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

Energy: 0.6629366630799559
Energy: 0.6126832373203248
Energy: 0.6328454104633708
Energy: 0.6037208087960276
Energy: 0.6289519646422034
Energy: 0.623137745743645
Energy: 0.5894128539538652
Energy: 0.6303098433194483
Energy: 0.6334689820438202
Energy: 0.6451086626861002
Energy: 0.7533894082546592
Energy: 0.5867044964703535
Energy: 0.6550207782600505
Energy: 0.6833881712548393
Energy: 0.6270863482633571
Energy: 0.7610551555574164
Energy: 0.6647920193020901
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Energy: 0.7079805294711337
Energy: 0.6055274653057385
Energy: 0.6270503900068672
Energy: 0.6110579611074125
Energy: 0.6897582282630011
Energy: 0.6298581145236387
Energy: 0.6297324669525529
Energy: 0.6126904128506898
Energy: 0.6199182194823801
Energy: 0.6379608290368132
Energy: 0.6512682260589928
Energy: 0.6332091302439532
Energy: 0.6444150773385741
Energy: 0.6731597182602037
Energy: 0.6220129936754586
Energy: 0.6587972350998763
Energy: 0.7638130197582986
Energy: 0.6236239128208749
Energy: 0.68560654619712
Energy: 0.6729166478355587
Energy: 0.6542762083787141
Energy: 0.6269454680421862
Energy: 0.6507080087365609
Energy: 0.6653572403909869
Energy: 0.6745424443399012
Energy: 0.6471808895228397
Energy: 0.6182011137895215
Energy: 0.6648259422945619
Energy: 0.664089676122176
Energy: 0.6790467897794779
Energy: 0.6227071336970859
Energy: 0.7585466850987272
Energy: 0.614489897271168
Energy: 0.6549870683259656
Energy: 0.6660676708226926
Energy: 0.5933317156013564
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Energy: 0.7231317539606956
Energy: 0.59367926651984
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Energy: 0.5929739373829738
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Energy: 0.6261629223862368
Energy: 0.6167047311029966
Energy: 0.6122589589986903
Energy: 0.7133634097297046
Energy: 0.6066474943102506
Energy: 0.6302459572481526
Energy: 0.7010234747685218
Energy: 0.6092999996784015
Energy: 0.6220071717146185
Energy: 0.6616876155785413
Energy: 0.6428316808216373
Energy: 0.655012226159042
Energy: 0.648472420939255
Energy: 0.6098550962748235
Energy: 0.6165858961667369
Energy: 0.6411819697695481
Energy: 0.6549951957459209
Energy: 0.659949965051285
Energy: 0.6408311109354832
Energy: 0.6520805320916684
Energy: 0.6277099872274537
Energy: 0.626764855688288
Energy: 0.6036286974800988
Energy: 0.6530370699625092
Energy: 0.6489231575652046
Energy: 0.6168511849491416
Energy: 0.6402320680721549
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Energy: 0.6446274255025527
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Energy: 0.6262758482647318
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Energy: 0.6072715309830047
Energy: 0.6432191580618958
Energy: 0.6449982214154919
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Energy: 0.642630796372195
Energy: 0.600265289869887
Energy: 0.6453204511607162
Energy: 0.5957487277540174
Energy: 0.6764111867565146
Energy: 0.612852465852447
Energy: 0.6005270937117377
Energy: 0.6438266718278659
Energy: 0.641400418124322
Energy: 0.7111970869949401
Energy: 0.6388370866418328
Energy: 0.5983810680062075
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Energy: 0.6494190987715359
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Energy: 0.6113033930987519
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Energy: 0.6207078243502869
Energy: 0.5900215254208855
Energy: 0.6265865182683346
Energy: 0.6195237695445261
Energy: 0.6449334718023677

minimum gb energy = 0.576370741051919 eV
minimum distance =  2.27417342859126 Angstroms
sigma value = 219


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

Energy: 0.9566035661921789
Energy: 0.8667284894617553
Energy: 0.8809720494288459
Energy: 0.879892036119884
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Energy: 0.8606428774445226
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Energy: 0.8962823886148505
Energy: 0.9119897243895759
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Energy: 0.8958678863124248
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Energy: 0.8780396368939939
Energy: 0.9683976374439772
Energy: 0.8783288958009302
Energy: 0.8964792030440475
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Energy: 0.8967222252072059
Energy: 0.9043077113569057
Energy: 0.89650369952134
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Energy: 0.8970910122176554
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Energy: 0.8950461070591015
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Energy: 0.8717644532183498
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Energy: 0.8790468015438776
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Energy: 0.8654144665242336
Energy: 0.9693360638772539
Energy: 0.8397088992420384
Energy: 0.8672224256544591
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Energy: 0.8789429252268443
Energy: 0.8702896170778056
Energy: 0.869404387733924
Energy: 0.8673983380371253
Energy: 0.8471324897703802
Energy: 0.8778801876595044
Energy: 0.8858582875126925
Energy: 0.8694582918584308
Energy: 0.8383254170577281
Energy: 0.9101365263092775
Energy: 0.8671715877181342
Energy: 0.8476901455963892
Energy: 0.8718676445401987
Energy: 0.8402465843115449
Energy: 0.9121024243111198
Energy: 0.8847806962891521
Energy: 0.8468592790860701
Energy: 0.8712362294252194
Energy: 0.7755916311192759
Energy: 0.8766887191446248
Energy: 0.8785368070627935
Energy: 0.8775351519809459
Energy: 0.8967078287202044
Energy: 0.776658816672337
Energy: 0.8799046171031775
Energy: 0.8784817904980101
Energy: 0.8460771148485626
Energy: 0.8970669726740077

minimum gb energy = 0.7754553076930774 eV
minimum distance =  2.30902354177734 Angstroms
sigma value = 15


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

Energy: 1.0737654712810016
Energy: 1.070142572957434
Energy: 1.0944772459189656
Energy: 1.082885931886065
Energy: 0.9025996545987951
Energy: 1.0643211797890124
Energy: 1.0317757162565202
Energy: 1.107235892266681
Energy: 1.0510150061018193
Energy: 1.0433897993987125
Energy: 1.0984297748695482
Energy: 1.0323212224984697
Energy: 1.0991731982540465
Energy: 1.0962177755141702
Energy: 1.0087514609194512
Energy: 1.1022838895843587
Energy: 1.0266780339654944
Energy: 1.1232777566874261
Energy: 1.0689255036683014
Energy: 1.0208154177271935
Energy: 1.0820685435504829
Energy: 1.0407132191873567
Energy: 1.0457428857804676
Energy: 1.1184896645706865
Energy: 1.130883393207583
Energy: 1.0844270497323
Energy: 1.039079348299227
Energy: 1.0429282439623933
Energy: 1.1062610250028002
Energy: 1.098878008016935
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minimum gb energy = 0.9025996545987951 eV
minimum distance =  2.28349285161971 Angstroms
sigma value = 293


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

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Energy: 0.9968987296566287
Energy: 1.0107106710998053
Energy: 1.0341667473734044
Energy: 1.0245412829375902
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Energy: 0.9947723131324513
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Energy: 0.9947574622189116
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Energy: 0.9942924622501407
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Energy: 0.9957938145066426
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Energy: 1.0039239689400332
Energy: 1.0291012549468896
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Energy: 1.008634828085035
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Energy: 0.9966676373580929
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Energy: 1.0002918545989583
Energy: 1.0627021853547143
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Energy: 0.9808005647719225
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Energy: 1.0096156411796742
Energy: 1.0818411374810089
Energy: 0.9955417685423958
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Energy: 1.1293232694367692
Energy: 1.0128188425406994
Energy: 1.0817020622128506
Energy: 0.9920207307620938
Energy: 1.0920957053972096
Energy: 1.081055550355589
Energy: 1.0821505063461514
Energy: 1.2126322645396628
Energy: 1.0588867194058764
Energy: 1.0804419436182047
Energy: 1.0632516554640157
Energy: 1.0819041753381011
Energy: 1.2126630240574134
Energy: 1.0920082748197668
Energy: 1.1503652525951225
Energy: 0.9825468949281029
Energy: 1.0645532520421148
Energy: 1.0824865420175978
Energy: 1.082656029054717
Energy: 1.1093438447540502
Energy: 0.9925973497032625
Energy: 1.0655023853638994
Energy: 1.083158112225542
Energy: 1.0827417697968922
Energy: 0.9841590926349733
Energy: 1.1359073385865552
Energy: 0.9918959705770983
Energy: 1.0048683387603843
Energy: 0.9931853475271546
Energy: 0.9834167747053334
Energy: 1.13636402453019
Energy: 0.9921246187805517
Energy: 1.0315373799198455
Energy: 1.0008087400082823
Energy: 0.9827814033864206
Energy: 1.172189079509303
Energy: 0.9847602458436859
Energy: 0.9951903556468941
Energy: 0.9956981597655347
Energy: 0.9838282772394197
Energy: 1.0281755644494823
Energy: 0.9839817677777646
Energy: 0.9712634766537243
Energy: 0.9945956722856362
Energy: 1.0031545720813486
Energy: 1.1874556082139793
Energy: 1.006026824548354
Energy: 0.992221465251209
Energy: 1.0035331825086908
Energy: 0.8997174998281172
Energy: 1.1888705024035098
Energy: 1.0142480283347812
Energy: 0.9887369934323721
Energy: 1.005950482061605
Energy: 1.0107284912356622
Energy: 1.1662568995858058
Energy: 1.174168090264818
Energy: 1.005900868776361
Energy: 1.004323206725505
Energy: 1.0109515479611242
Energy: 1.1685171194533932
Energy: 1.174112421767546
Energy: 1.005856239845029
Energy: 1.0035883396127192
Energy: 1.0816538130025501
Energy: 0.9860045903801061
Energy: 1.0052110935808412
Energy: 1.1460203706123873
Energy: 0.9944391284032101
Energy: 1.0924853496228921
Energy: 0.9844281294672291
Energy: 1.0091876198987535
Energy: 1.1304983263563662
Energy: 1.0908148757338885

minimum gb energy = 0.8755236491548295 eV
minimum distance =  2.28493872948622 Angstroms
sigma value = 293


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

Energy: 1.1668164932648593
Energy: 1.0722838875011655
Energy: 1.1545561645010693
Energy: 1.076074901118626
Energy: 1.0728179761335062
Energy: 1.167297491424577
Energy: 1.0747925668115965
Energy: 1.154463393208271
Energy: 1.0750489269080512
Energy: 1.07393657334082
Energy: 1.072745003089516
Energy: 1.075915194667808
Energy: 1.0755324729393716
Energy: 1.0751898011080367
Energy: 1.0741507137811204
Energy: 1.1564180863709639
Energy: 1.0765824104249087
Energy: 1.0732896337395375
Energy: 1.0756407713701854
Energy: 1.0743866008376097
Energy: 1.0746155680944847
Energy: 1.0764486984429977
Energy: 1.123955274683954
Energy: 1.0782386500098562
Energy: 1.1559966986896981
Energy: 1.0742554301686726
Energy: 1.075829092017958
Energy: 1.0745395555004706
Energy: 1.1555048013279274
Energy: 1.1561530178552466
Energy: 1.1559480760939256
Energy: 1.1695369501803496
Energy: 1.0738647898683116
Energy: 1.073766988699086
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Energy: 1.1246615525554449
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Energy: 1.1244290104927952
Energy: 1.0731426919615716
Energy: 1.1541463178766558
Energy: 1.126452367555293
Energy: 1.0741358558830514
Energy: 1.0753130606895418
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Energy: 1.1548351866948339
Energy: 1.1274746764172472
Energy: 1.0738112161605637
Energy: 1.07524826955053
Energy: 1.0754800495468908
Energy: 1.0743225182901508
Energy: 1.1544736050621334
Energy: 1.0776387922238644
Energy: 1.167738885292938
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Energy: 1.0789061072896087
Energy: 1.1674904214651238
Energy: 1.0733820481746859
Energy: 1.0767497495862948
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Energy: 1.0752257051453935
Energy: 1.0737053615798735
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Energy: 1.1548943617056409
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Energy: 1.0753372956883926
Energy: 1.1541431957782577
Energy: 1.0750902698484646
Energy: 1.074522733790501
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Energy: 1.073113536712698
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Energy: 1.073068590143932
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Energy: 1.0725974682980712
Energy: 1.1676962103362871
Energy: 1.0752162595061683
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Energy: 1.073754619515207
Energy: 1.1548187857204975
Energy: 1.0754664611355955
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Energy: 1.0758982542220714
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Energy: 1.1562879217866486
Energy: 1.1561542123680537
Energy: 1.1266565772132509
Energy: 1.07403932887314
Energy: 1.0736826945007323
Energy: 1.1562039250666918
Energy: 1.1554111752492595
Energy: 1.1687919319042908
Energy: 1.0732823567513297
Energy: 1.074083790650758
Energy: 1.1565505989484028
Energy: 1.0748092866413743
Energy: 1.0750913296713815
Energy: 1.1680963848395396
Energy: 1.1245828692626045
Energy: 1.0764366865526345
Energy: 1.0743952611790573
Energy: 1.0751129412551164
Energy: 1.1693329399874113
Energy: 1.0761533874453881
Energy: 1.0757180552544612
Energy: 1.075560574335098
Energy: 1.155305967484843
Energy: 1.0745069800819307
Energy: 1.0751160227831824
Energy: 1.0742752570011627
Energy: 1.0760648091489038
Energy: 1.1547919257029795
Energy: 1.0750977356311653
Energy: 1.1248191217085335
Energy: 1.073170782808205
Energy: 1.0762442515322959
Energy: 1.12589540495115
Energy: 1.0742472282750897
Energy: 1.0750869851571918
Energy: 1.1535512811280635
Energy: 1.0732436551832463
Energy: 1.1271549886268404
Energy: 1.0738462411656189
Energy: 1.0751991609981395
Energy: 1.1251409073791836
Energy: 1.0742059055549031
Energy: 1.1545140775241485
Energy: 1.0772527885668643
Energy: 1.1679029328408739
Energy: 1.0744335117854407
Energy: 1.0749015562969388
Energy: 1.1551275815477178
Energy: 1.0777936718024481
Energy: 1.1676183881904332
Energy: 1.0741779689635234
Energy: 1.0772776003640192
Energy: 1.073431905798168
Energy: 1.0739212387203563
Energy: 1.074526853448879
Energy: 1.1554686569931654
Energy: 1.0762045295932674
Energy: 1.075106320374005
Energy: 1.0738652394039498
Energy: 1.0744664652544142
Energy: 1.0756891753930935
Energy: 1.1245569336568266
Energy: 1.0781370804552508
Energy: 1.1544117871605952
Energy: 1.0763030338406658
Energy: 1.0747032190082642
Energy: 1.1238895819741388
Energy: 1.1234705000493694
Energy: 1.2137665270487392
Energy: 1.0756140979529523
Energy: 1.07704291449484
Energy: 1.0733564152776875
Energy: 1.0735990471982009
Energy: 1.0720713303485563
Energy: 1.154574391910702
Energy: 1.1565395837881325
Energy: 1.074506920340759
Energy: 1.0736100303813358
Energy: 1.1284870961019888
Energy: 1.1544452594503944
Energy: 1.1555240396949529

minimum gb energy = 1.0720408484696649 eV
minimum distance =  2.31282029567087 Angstroms
sigma value = 15


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

Energy: 1.0902134162485617
Energy: 1.0847546182669168
Energy: 1.0887440734820142
Energy: 1.0545974795080035
Energy: 1.0864883304619657
Energy: 1.0796190440056221
Energy: 1.1115698169384618
Energy: 1.0879350470873472
Energy: 1.0550807812881395
Energy: 1.0881247630452955
Energy: 1.0739225016502527
Energy: 1.0528333443146485
Energy: 1.0529504158882428
Energy: 1.0534645041214497
Energy: 1.1671266522119381
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Energy: 1.0572039461069334
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Energy: 1.1547289538192889
Energy: 1.0459097989359265
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Energy: 1.1149057083345502
Energy: 1.1670561797089194
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Energy: 1.1032752115868574
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Energy: 1.0888134341583062
Energy: 1.0662740411972025
Energy: 1.066431034167562
Energy: 1.0998396106244028
Energy: 1.0771346618361457
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Energy: 1.0661331787716946
Energy: 1.0835239398738925
Energy: 1.1037526161163955
Energy: 1.0779209121207782
Energy: 1.0898268953942385
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Energy: 1.0742876184846961
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Energy: 1.0986460376578493
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Energy: 1.0460376291356548
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Energy: 1.067872277310574
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Energy: 1.0486671219399268
Energy: 1.1686242326715113
Energy: 1.147048984014716
Energy: 1.1723375160097944
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Energy: 1.0971794987656829
Energy: 1.0779156008905166
Energy: 1.0343246245903455
Energy: 1.1714019419356825
Energy: 1.104633612745379
Energy: 1.0968068187620432
Energy: 1.1719366318922049
Energy: 1.0661248052843098
Energy: 1.0526063459358088
Energy: 1.1597100678295609
Energy: 1.1594885066038907
Energy: 1.0578014269720646
Energy: 1.1850635058221108
Energy: 1.0527642204992431
Energy: 1.057467398908487
Energy: 1.093387542151459
Energy: 1.1213682477740892
Energy: 1.0515381517264368
Energy: 1.1462072719376257
Energy: 1.056281381911345
Energy: 1.08033769298898
Energy: 1.1201755679631205
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Energy: 1.0575439094929728
Energy: 1.1822030327725324
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Energy: 1.067433292918161
Energy: 1.085588348412044
Energy: 1.0446221523901071
Energy: 1.0589579519619088
Energy: 1.2928446121583304
Energy: 1.0659079446108306
Energy: 1.1604940566134545
Energy: 1.0452578973275413
Energy: 1.0563579414687099
Energy: 1.0310071537972794
Energy: 1.0902234158773831
Energy: 1.05288839175023
Energy: 1.0512885137828274
Energy: 1.0553989849633811
Energy: 1.171786630309819
Energy: 1.060021114196438
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Energy: 1.0513506046814503
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Energy: 1.0525887060653918
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Energy: 1.0829966188044307
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Energy: 1.0519553751517223
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Energy: 1.060998781205416
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Energy: 1.0813243783294795
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Energy: 1.0545232707743868
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Energy: 1.1491265512298048
Energy: 1.1862302714565602
Energy: 1.1533640453471705
Energy: 1.0522757860879848
Energy: 1.0764038368184636
Energy: 1.0681971230550582
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Energy: 1.1522337586203584
Energy: 1.0534230326838865
Energy: 1.075603572114899
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Energy: 1.1188175691787225
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Energy: 1.0620074722258874
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Energy: 1.0676153905724044
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Energy: 1.072485657051446
Energy: 1.0770163093449787
Energy: 1.0590969772273433
Energy: 1.0604334162182032
Energy: 1.077918440136246
Energy: 1.192392296367824
Energy: 1.058118579407585
Energy: 1.0536766165381644
Energy: 1.0587000099109412
Energy: 1.0542644157034504
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Energy: 1.0606653658101945
Energy: 1.0595207003471458
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Energy: 1.087905915251325
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Energy: 1.0527292592175665
Energy: 1.1095829222913098
Energy: 1.1678907750188001
Energy: 1.086001308927985
Energy: 1.123186776243455
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Energy: 1.1733630691446373
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Energy: 1.0823924256061925
Energy: 1.1763307389921347
Energy: 1.1207498551336363
Energy: 1.0886793377275397
Energy: 1.2682745332993193
Energy: 1.1100203174532455
Energy: 1.052842587796709
Energy: 1.1111246721402397
Energy: 1.0893250602673008
Energy: 1.0477680268562197
Energy: 1.1101352990056454
Energy: 1.053700112928296
Energy: 1.0859126243264805
Energy: 1.174402638223585
Energy: 1.0551031112524478
Energy: 1.0559699483231357
Energy: 1.0530246569315311
Energy: 1.0609787014028917
Energy: 1.1750890814044355
Energy: 1.1376902696264846
Energy: 1.0553440380903594
Energy: 1.0527138395419906
Energy: 1.0597923094837862
Energy: 1.0887787208932385
Energy: 1.0771462150897404
Energy: 1.0685311863325966
Energy: 1.0184974037934154
Energy: 1.0683508677563123
Energy: 1.0867743198979127
Energy: 1.0774003169990298
Energy: 1.0549825634507617
Energy: 1.0641124237242763
Energy: 1.067427287475048
Energy: 1.1387223946870664
Energy: 1.1174436040760627
Energy: 1.0558553237892299
Energy: 1.0986539999561464
Energy: 1.1082754571465476
Energy: 1.1487150086460205
Energy: 1.1176053303066975
Energy: 1.0662221207729632
Energy: 1.0932019040013525
Energy: 1.0547195993753524
Energy: 1.0982627278913135
Energy: 1.054155157692308
Energy: 1.0589777046169637
Energy: 1.0529837114045004
Energy: 1.0573453523004737
Energy: 1.0976129376898889
Energy: 1.0591376634461445
Energy: 1.0731536439308733
Energy: 1.0528226506891794
Energy: 1.1451675723251593
Energy: 1.1687069355647268
Energy: 1.1487383471587072
Energy: 1.1672538767175693
Energy: 1.1043881874924024
Energy: 1.0967319069714299
Energy: 1.1672461686142601
Energy: 1.1458356333420756
Energy: 1.1678657031972426
Energy: 1.1060772713997722
Energy: 1.0816158238101587
Energy: 1.168166923250379
Energy: 1.066972074195696
Energy: 1.0626518656741826
Energy: 1.0504845229235962
Energy: 1.072833207886809
Energy: 1.1670017881861845
Energy: 1.0591178698794748
Energy: 1.0610539976741264
Energy: 1.0516687657132888
Energy: 1.062023330561925
Energy: 1.0810170795072713
Energy: 1.0566749348684192
Energy: 1.2704761623051424
Energy: 1.1096436376282812
Energy: 1.078756209658957
Energy: 1.079996301091668
Energy: 1.0559363420543038
Energy: 1.2726559357596368
Energy: 1.1107162405531246
Energy: 1.165783164641081
Energy: 1.0678676412605856
Energy: 1.2938510569979282
Energy: 1.0682477917727313
Energy: 1.165683130427892
Energy: 1.0458193011024108
Energy: 1.0700781283609677
Energy: 1.1791577473407753
Energy: 1.066500996903951
Energy: 1.1542089897259888
Energy: 1.052345116018244
Energy: 1.0592316644697886
Energy: 1.0678239999828685
Energy: 1.0826290958600286
Energy: 1.0535058577155587
Energy: 1.0508222846702464
Energy: 1.0612316305673415
Energy: 1.1815845421185993
Energy: 1.0939257413494579
Energy: 1.0563414978545145
Energy: 1.0514389543210454
Energy: 1.1244149262969596
Energy: 1.17454238880986
Energy: 1.082281950452508
Energy: 1.0604076472914417
Energy: 1.0522458415013431
Energy: 1.1114634005897905
Energy: 1.1855295625555815
Energy: 1.0825537243335654
Energy: 1.052397292296345
Energy: 1.0523490391655064
Energy: 1.0861369710570405
Energy: 1.1680509449322936
Energy: 1.1102123804243786
Energy: 1.0940121201801591
Energy: 1.085878063155253
Energy: 1.0878021227518622
Energy: 1.0512115322942632
Energy: 1.1118543084321755
Energy: 1.088613521731605
Energy: 1.0841452091647967
Energy: 1.052965898430492
Energy: 1.0531220787543736
Energy: 1.0832513078049173
Energy: 1.0710570082086168
Energy: 1.0568531564679717
Energy: 1.0531500756617274
Energy: 1.054542713223762
Energy: 1.0840452208826303
Energy: 1.072357488476105
Energy: 1.08464869190955
Energy: 1.0504489837844126
Energy: 1.0543799366701012
Energy: 1.0672064412824187
Energy: 1.0165752641853703
Energy: 1.0604153142472261
Energy: 1.0508923350931298
Energy: 1.0543501486108169
Energy: 1.0609945696659104
Energy: 1.0587930523486953
Energy: 1.0603869376240267
Energy: 1.0510647981307397
Energy: 1.1592765462149235
Energy: 1.061614571084025
Energy: 1.0603510455606862
Energy: 1.0582111108635734
Energy: 1.0505318519220608
Energy: 1.0857489777218667
Energy: 1.062465930518407
Energy: 1.0797761215113244
Energy: 1.1002631061617651
Energy: 1.0545697758894377
Energy: 1.1085647071432148
Energy: 1.1824510594613682
Energy: 1.0487713871800037
Energy: 1.1076148475393903
Energy: 1.079272358179824
Energy: 1.1074556691605182
Energy: 1.1454905497373828
Energy: 1.0525225630911985
Energy: 1.1082406103951625

minimum gb energy = 1.0165752641853703 eV
minimum distance =  2.26583656183556 Angstroms
sigma value = 437


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

Energy: 1.0541957547681828
Energy: 0.9753049283662683
Energy: 1.1160708777600226
Energy: 1.0438575394694392
Energy: 0.9771720877824827
Energy: 1.0398720181397043
Energy: 0.9549558335838887
Energy: 1.1090759342057273
Energy: 1.0447752747060393
Energy: 0.9403026400771594
Energy: 1.1368328827047245
Energy: 1.025604089602939
Energy: 1.0577715951676485
Energy: 1.0600177831385158
Energy: 1.1226837211263068
Energy: 1.0365835992064907
Energy: 1.0251601684995877
Energy: 1.0593801110520966
Energy: 1.1066728660943983
Energy: 1.1656970360897032
Energy: 0.9812698565633481
Energy: 0.9903434836569367
Energy: 1.0725620422999662
Energy: 0.9598370013976737
Energy: 1.0805315134860733
Energy: 0.9794289910216922
Energy: 1.0830569591720962
Energy: 1.0916539394132039
Energy: 0.9734435304191064
Energy: 1.0817630497709363
Energy: 0.9753401390760676
Energy: 0.9750259754840856
Energy: 0.9755891560703471
Energy: 0.9717519062114459
Energy: 1.0785499728297532
Energy: 0.9582704221146751
Energy: 0.9678963195810818
Energy: 0.9659557279626946
Energy: 0.9721964767675368
Energy: 1.0776134004983935
Energy: 0.9712520010822961
Energy: 0.9711394718695961
Energy: 0.9651870869941152
Energy: 0.9714968509482267
Energy: 0.9368827944745244
Energy: 0.9693389135092564
Energy: 0.9724883472171779
Energy: 0.9661044662646734
Energy: 0.9634815118264973
Energy: 0.9350604370002914
Energy: 0.9720557735595208
Energy: 0.9801361072790465
Energy: 1.01619332771892
Energy: 0.9676846914742535
Energy: 1.0423172670113954
Energy: 0.9632890365337783
Energy: 0.9703999635090378
Energy: 1.0107461644901126
Energy: 0.9682665555744423
Energy: 1.0389177935257667
Energy: 1.0035485906857176
Energy: 0.9933045837213493
Energy: 1.0158054289266913
Energy: 1.0582853534349665
Energy: 0.9850923720163698
Energy: 1.001123733973541
Energy: 0.9951660638318746
Energy: 0.9955872446964298
Energy: 1.0383100031674266
Energy: 0.9821750469878562
Energy: 1.0733415662739172
Energy: 0.9809302394364011
Energy: 0.9704972447937146
Energy: 1.1600723090961313
Energy: 1.1581653855424587
Energy: 0.9856867338668065
Energy: 0.9803920227546844
Energy: 0.9704353301272579
Energy: 0.9701946047723883
Energy: 1.0655430074448426
Energy: 0.9714231117852753
Energy: 1.056931236916485
Energy: 0.9557873132199686
Energy: 1.0940883089495976
Energy: 0.9690141638901552
Energy: 0.9703076517751318
Energy: 1.0570647851083959
Energy: 0.9558941582245958
Energy: 1.2022117993443662
Energy: 0.9692014279184797
Energy: 1.0591561594930903
Energy: 1.1106329155704844
Energy: 0.9707202123683618
Energy: 1.2148258374515746
Energy: 0.9838199964207367
Energy: 0.9760783182064398
Energy: 1.1088321359365911
Energy: 0.9704452463133425
Energy: 1.211962215681719
Energy: 0.9850088516039225
Energy: 0.9720857992736648
Energy: 0.9474619010265403
Energy: 0.9718741611455823
Energy: 0.9893998115111425
Energy: 0.9651550494464
Energy: 0.9690451348312162
Energy: 0.9479119677610592
Energy: 0.9712448459206691
Energy: 0.991594551692151
Energy: 0.9509045840307708
Energy: 0.9469496475745316
Energy: 0.9495415564037554
Energy: 0.9402688475989801
Energy: 1.0126787852893617
Energy: 0.937606361616597
Energy: 0.9474926973824227
Energy: 0.9491575957952296
Energy: 1.044641709432241
Energy: 0.957036944346735
Energy: 0.9362713354782356
Energy: 0.9477056518371687
Energy: 0.9707240567780985
Energy: 1.047992988132498
Energy: 1.1602690325490415
Energy: 0.9667097467224219
Energy: 0.947994705359858
Energy: 0.9700742536393532
Energy: 1.2050546152458186
Energy: 1.159377866986943
Energy: 0.9702729437649545
Energy: 1.0353444504191076
Energy: 1.0493126471191399
Energy: 1.0376538455361057
Energy: 0.9630776936756559
Energy: 0.9531683364651117
Energy: 1.0649174784639226
Energy: 1.0486101441154323
Energy: 1.1520903965547522
Energy: 0.9622086847785606
Energy: 1.0263717787072792

minimum gb energy = 0.9350604370002914 eV
minimum distance =  2.27691858110513 Angstroms
sigma value = 33