Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607352703809738
cohesive_energy=3.5352136626369166
mass=63.546
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=[1.74121352229852e-19, 2.3905276467597e-19, 2.88250802576208e-19, 3.2824113136084795e-19, 3.6186441020197196e-19, 3.9071160049714195e-19, 4.15752019109928e-19, 4.376746019929499e-19, 4.5694878689997e-19, 4.739382679269059e-19, 4.889298346912439e-19, 5.021349745086719e-19, 5.13744346398636e-19, 5.23924576731072e-19, 5.327750004572879e-19, 5.4040456558839595e-19, 5.469029940159e-19, 5.523503945714999e-19, 5.568140586738239e-19, 5.603564712115979e-19, 5.630401170735479e-19, 5.64909857205426e-19, 5.660025416698139e-19, 5.66359827059196e-19, 5.6597690684367e-19, 5.64738424305588e-19, 5.624857639581839e-19, 5.59036277665182e-19, 5.54173671580992e-19, 5.47636790914272e-19, 5.3909558727841795e-19, 5.28162333928002e-19, 5.14367593109262e-19, 4.9711535511434995e-19, 4.75697457871038e-19, 4.49207069404482e-19, 4.16492224714836e-19, 3.76109362654866e-19, 3.262031626824e-19, 2.64354338080098e-19, 1.87392181289274e-19, 9.107605119505679e-20, -3.03376952177802e-20, -1.84767815962782e-19, -3.8336081410035e-19, -6.422132776192919e-19, -9.852024448961099e-19, -1.4490502043820839e-18, -2.09213827044354e-18, -3.0122202460507194e-18, -4.38304257410112e-18, -6.5381784297935404e-18]
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: 0.015490345392492453
Energy: 0.020855176168557265
Energy: 0.15255836358345468
Energy: 0.15155297670866114
Energy: 0.019953073021607252
Energy: 0.017293285670208172
Energy: 0.15224628987922104
Energy: 0.15363357776825395
Energy: 0.15099745576285525
Energy: 0.02124483547415045
Energy: 0.01653853394118597
Energy: 0.15760430010549817
Energy: 0.15246749788287897
Energy: 0.153405764373612
Energy: 0.15260885844380687
Energy: 0.1496860175565891
Energy: 0.15712043590536745
Energy: 0.15212638988794952
Energy: 0.15425157377358636
Energy: 0.1518205138693812
Energy: 0.15306064592384458
Energy: 0.02038410805556568
Energy: 0.016026574400618752
Energy: 0.1502793873337991
Energy: 0.1515926281176785
Energy: 0.15167612120880364
Energy: 0.01927285258526679
Energy: 0.01598713692577675
Energy: 0.14950707733233964
Energy: 0.15271103462805685
Energy: 0.151848417962064
Energy: 0.017441203927665974
Energy: 0.017415594321000538
Energy: 0.15542315110292615
Energy: 0.1496613920989278
Energy: 0.15255836224708264
Energy: 0.01814481405455155
Energy: 0.016307615111853118
Energy: 0.15132743416611896
Energy: 0.14950346343332177
Energy: 0.15110969824203838
Energy: 0.15062317644134077
Energy: 0.1538700249000471
Energy: 0.01813705476627989
Energy: 0.016286918643946487
Energy: 0.150298963175879
Energy: 0.15155534473865773
Energy: 0.15291839062177554
Energy: 0.019331998330700706
Energy: 0.1555145758598342
Energy: 0.15315912554262445
Energy: 0.1500555647546772
Energy: 0.15097103457624822
Energy: 0.0169960596429696
Energy: 0.01629857429329413
Energy: 0.1541766489548016
Energy: 0.14951037341848772
Energy: 0.1514900200486704
Energy: 0.01747721810704292
Energy: 0.016417635182076947
Energy: 0.016414740750523325
Energy: 0.15441958734904326
Energy: 0.15148019460545328
Energy: 0.15372728453253395
Energy: 0.15539872122136483
Energy: 0.01638037256251683
Energy: 0.15538955640317698
Energy: 0.15090536241204158
Energy: 0.15489026183144633
Energy: 0.15452215082589663

minimum gb energy = 0.015490345392492453 eV
minimum distance =  2.51113771641115 Angstroms
sigma value = 3


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

Energy: 1.3417570619018115
Energy: 1.3332691481234131
Energy: 1.3560398284456172
Energy: 1.1926388944961672
Energy: 1.230709083662908
Energy: 1.223608663505329
Energy: 1.1955164723548677
Energy: 1.3602476645136476
Energy: 1.259505799404928
Energy: 1.3328794385600546
Energy: 1.1801300699277737
Energy: 1.1577499705247027
Energy: 1.3686486713044126
Energy: 1.192489792455647
Energy: 0.9519967665132054
Energy: 0.9531046363262503
Energy: 1.216142337885724
Energy: 1.3598781380184455
Energy: 1.3097317586102102
Energy: 0.9531523496054732
Energy: 1.214468889253015
Energy: 1.3485455648556166
Energy: 1.1860831257311724
Energy: 0.9486643370300573
Energy: 0.951713614646707
Energy: 0.9480370847119367
Energy: 1.3497114176442007
Energy: 1.1837905370007418
Energy: 0.9481716624647762
Energy: 0.9510848077506211
Energy: 0.949767413285759
Energy: 1.3587254607449286
Energy: 1.3285749142246575
Energy: 0.9478551173817065
Energy: 0.9524627716747763
Energy: 0.9493355637087992
Energy: 1.3538778492565808
Energy: 1.187087780914653
Energy: 1.0940531157331015
Energy: 0.9517610246218002
Energy: 1.4441919349517431
Energy: 1.3345554240094755
Energy: 1.4356925286549573
Energy: 1.1009881785073978
Energy: 0.9545573181287188
Energy: 1.1937224559700264
Energy: 1.3303819662241994
Energy: 1.3506106813772694
Energy: 1.08245622781906
Energy: 0.9567143614604032
Energy: 1.3288400158148044
Energy: 1.33662389311062
Energy: 1.331142045761321
Energy: 1.227280832900815
Energy: 1.1183876100322723
Energy: 1.3284895179274667
Energy: 1.3351543248085893
Energy: 1.1189570685207388
Energy: 1.0809355655609003
Energy: 1.117292192048486
Energy: 1.4242697219628382
Energy: 1.3554186060744537
Energy: 1.109063351880406
Energy: 0.9557682950937051
Energy: 1.3233076669963582
Energy: 1.4206129831433592
Energy: 1.242185511860505
Energy: 0.954794255249379
Energy: 1.0808040109479
Energy: 1.2205081214825655
Energy: 1.425336476315145
Energy: 1.3264723220972836
Energy: 1.1905042556532663
Energy: 1.3050195695199505
Energy: 1.3291948992654736
Energy: 1.4268385234409307
Energy: 1.3249328234488318
Energy: 1.2292744245726805
Energy: 1.2285766483872622
Energy: 1.3298217272577015
Energy: 1.4336954566778763
Energy: 1.2006345654012263
Energy: 0.9555480494180942
Energy: 1.3621907502243022
Energy: 1.2504878681126168
Energy: 1.4202607384437393
Energy: 1.0556861809141571
Energy: 0.9418375912670028
Energy: 1.1515000566076805
Energy: 1.3135439764473211
Energy: 1.347376853076767
Energy: 1.083869435595178
Energy: 1.0883910646337407
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Energy: 1.1841588482912848
Energy: 1.1879142630186987
Energy: 1.0884578383423853
Energy: 1.0835735482831286
Energy: 1.060902649482268
Energy: 1.1858283154524831
Energy: 1.0666645977847122
Energy: 1.122346066569353
Energy: 1.0809081837880445
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Energy: 1.420841757457633
Energy: 1.277700302429179
Energy: 1.089932331697268
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Energy: 1.3128998182880054
Energy: 1.4258872624665642
Energy: 1.280385082867118
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Energy: 1.2764604579313907
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Energy: 1.115969704474029
Energy: 1.0834129931606682
Energy: 1.158147315357883
Energy: 1.3425711498788897
Energy: 1.3273106516070716
Energy: 1.0849684280216343
Energy: 1.0994989440384673
Energy: 1.382918789761943
Energy: 1.3069188585747533
Energy: 1.1029879976520087
Energy: 1.0818546350849185
Energy: 1.1022249437120235
Energy: 1.4252102906474424
Energy: 1.2763889762352105
Energy: 1.3678229509876485
Energy: 1.2238179740047346
Energy: 1.3205473414562334
Energy: 1.3257862208527171
Energy: 1.4234952164682226
Energy: 1.300262343132726
Energy: 1.2979837253563358
Energy: 1.3238736866009642
Energy: 1.4239942524950144
Energy: 1.3205955046224496
Energy: 1.2285932805058
Energy: 0.9411415163337645
Energy: 1.2447228320100692
Energy: 1.4304012411846083
Energy: 1.4308807062984739
Energy: 1.0998622392225446
Energy: 1.1052941332435233
Energy: 1.3523294937210688
Energy: 1.4281845124771357
Energy: 1.33159786705227
Energy: 1.086151514744067
Energy: 1.084026254402911
Energy: 1.183354701884898
Energy: 1.1844190451176049
Energy: 1.1281139408909757
Energy: 1.0933825698079902
Energy: 1.023684718302189
Energy: 1.1849865878095018
Energy: 1.19187117485742
Energy: 1.22356586805624
Energy: 1.092953581722375
Energy: 1.0859525641958967
Energy: 1.1933184079572752
Energy: 1.184799036895324
Energy: 1.025484512686418
Energy: 1.1825927929647708
Energy: 1.1133813507757437
Energy: 1.1863317876959603
Energy: 1.1861730343115167
Energy: 1.1122854526973491
Energy: 1.183098482988197
Energy: 1.19510103860196
Energy: 1.4221128448662965
Energy: 1.3272720474638162
Energy: 1.0835216005036707
Energy: 1.0887376931466164
Energy: 1.2373500810597466
Energy: 1.4266958419854947
Energy: 1.1181768246630182
Energy: 1.0866634104549358
Energy: 1.0902508317703319
Energy: 1.327843446344006
Energy: 1.3386866209155834
Energy: 1.1174422007720253
Energy: 1.087736940731914
Energy: 1.247443089066759
Energy: 1.3269131873288313
Energy: 1.340970411793826
Energy: 1.3757406492326905
Energy: 1.3290810617293427
Energy: 1.11464230638409
Energy: 1.4223070485338745
Energy: 1.2430058867093132
Energy: 1.1088009502143104
Energy: 1.084704653102527
Energy: 1.3475920824048935
Energy: 1.4175235463034752
Energy: 1.4231917269512073
Energy: 0.9593917213744262
Energy: 1.0915150347164293
Energy: 1.3811799849769573
Energy: 1.4339649051255912
Energy: 1.32222963976615
Energy: 1.2282818400632407
Energy: 1.204367772263443
Energy: 1.327878669674395
Energy: 1.4229477168053097
Energy: 1.3209913205137598
Energy: 1.159921418088252
Energy: 1.3067069484858505
Energy: 1.380213136977691
Energy: 1.4238691852902534
Energy: 1.3337739616854645
Energy: 0.9428432804411294
Energy: 1.3259504597328449
Energy: 1.316485816513123
Energy: 1.4268126473773708
Energy: 1.2471345681750308
Energy: 0.9695033729415279
Energy: 1.1287735234083813
Energy: 1.3171594069256254
Energy: 1.3072031368837784
Energy: 1.1203380417427473
Energy: 1.0868865412460547
Energy: 1.2120872211241904
Energy: 1.1838757093596581
Energy: 1.115132478392325
Energy: 0.9558042879299656
Energy: 1.0881683446332957
Energy: 1.0105032972119175
Energy: 1.185700597886625
Energy: 1.1338152900682197
Energy: 1.0835517055729913
Energy: 0.9531452793738597
Energy: 1.0624259311937418
Energy: 1.1873250653736578
Energy: 1.2015692718974467
Energy: 1.0874327326002957
Energy: 1.0882724398237391
Energy: 1.065192848789512
Energy: 1.1849380654274975
Energy: 1.1147431780628505
Energy: 1.0941254142986883
Energy: 1.0891248522339798
Energy: 1.4348596827066968
Energy: 1.3519167878616183
Energy: 0.9500042661971876
Energy: 0.9557995781724862
Energy: 1.2342365026958664
Energy: 1.4232029704457907
Energy: 1.3492858053367096
Energy: 1.4306200341747615
Energy: 1.3374582813892117
Energy: 1.1148734355870598
Energy: 1.3416606729278353
Energy: 1.3274319604304428
Energy: 1.1151312283297217
Energy: 0.9514651093221136
Energy: 1.1158666626826486
Energy: 1.3388528836191766
Energy: 1.3278628237889492
Energy: 0.9518684245584477
Energy: 0.9527633747384652
Energy: 1.3581382732806844
Energy: 1.1939061900985455
Energy: 1.1945005081520943
Energy: 0.955751737198184
Energy: 0.9528518180745538
Energy: 1.3611572279779016
Energy: 1.3129337661988574
Energy: 1.2434283427805737
Energy: 1.3304547184676412
Energy: 1.193625249656374
Energy: 1.357036058367906
Energy: 1.1928465320602315
Energy: 1.2307416187481472
Energy: 1.2232923471863248
Energy: 1.1957344398100846
Energy: 1.3578616088103355
Energy: 1.1949420343632557
Energy: 1.2258269569210238

minimum gb energy = 0.9411415163337645 eV
minimum distance =  2.19642773254697 Angstroms
sigma value = 75


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

Energy: 3.524295089735069
Energy: 1.468933604264001
Energy: 1.442765156810865
Energy: 1.4240564223151537
Energy: 1.3996442631714583
Energy: 1.4031005713755842
Energy: 1.424818643775025
Energy: 1.2406340644085359
Energy: 1.4429602352303508
Energy: 1.431180831076498
Energy: 1.2679267909945604
Energy: 1.4663629813250074
Energy: 1.3064959167917103
Energy: 1.2574913150718698
Energy: 1.3132662363272163
Energy: 1.2928682583698663
Energy: 1.457898006669758
Energy: 1.2386373759810116
Energy: 1.2994063506469644
Energy: 1.3023238987237247
Energy: 1.3042870510865525
Energy: 1.6090900820928618
Energy: 1.5436595860151767
Energy: 1.3645209589427574
Energy: 1.2534219586584892
Energy: 1.2923279598022472
Energy: 1.6090274818958241
Energy: 1.5430097786850707
Energy: 1.3948558501007577
Energy: 1.2575064773222275
Energy: 1.3569921878940887
Energy: 1.3964204915568565
Energy: 1.347479512691253
Energy: 1.3001103822075746
Energy: 1.2590804495657226
Energy: 1.327836389995236
Energy: 1.2147567913721637
Energy: 1.3057948448396606
Energy: 1.378603331048245
Energy: 1.1986548040218943
Energy: 1.489557668385707
Energy: 1.34167813971892
Energy: 1.5198956123645446
Energy: 1.6096047718536939
Energy: 1.4209525759642285
Energy: 1.4233217210254674
Energy: 1.3081054565792116
Energy: 1.3868997373670444
Energy: 1.446746444472267
Energy: 1.4631945088796707
Energy: 1.5104102234383947
Energy: 1.5147115215234295
Energy: 1.4571043999262314
Energy: 1.2952076436970241
Energy: 1.4831806134536722
Energy: 1.4473560106576049
Energy: 1.5136791186203835
Energy: 1.4886937425828344
Energy: 1.3603679961584993
Energy: 1.5009996576782796
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Energy: 1.2726532929609116
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Energy: 1.3217930902191743
Energy: 1.2746445623579834
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Energy: 1.3001238511532531
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Energy: 1.5761781401567754
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Energy: 1.25863766316697
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Energy: 1.576241840087525
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Energy: 1.3225254395272756
Energy: 1.198954470105561
Energy: 1.3473890300055027
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Energy: 1.3312982543227994
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Energy: 1.5152456321381242
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Energy: 1.429978968187592
Energy: 1.5406794788311193
Energy: 1.4665780893198321
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Energy: 1.3351703714841054
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Energy: 1.475321319956158
Energy: 1.3206590061679844
Energy: 1.2980711703272294
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Energy: 1.3764016977056115
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Energy: 1.501243367178008
Energy: 1.3987693787302145
Energy: 1.3403683247911238
Energy: 1.457093000264335
Energy: 1.5425445928194952
Energy: 1.4201390552315345
Energy: 1.3839812977480377
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Energy: 1.5431097367103026
Energy: 1.4773860625499757
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Energy: 1.2722510643837674
Energy: 1.5307835899470017
Energy: 1.299420435497347
Energy: 1.44765889418915
Energy: 1.343045750408895
Energy: 1.3252516079270034
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Energy: 1.53028412818049
Energy: 1.504769629285706
Energy: 1.456500634319987
Energy: 1.4700830001163407
Energy: 1.4499595261038565
Energy: 1.4575931755095195
Energy: 1.489679385523192
Energy: 1.5081961569062694
Energy: 1.469424652008429
Energy: 1.4304461801187465
Energy: 1.4974931568790553
Energy: 1.5035249483857618
Energy: 1.2679300088154741
Energy: 1.455510416229981
Energy: 1.2983775341005441
Energy: 1.5357923275382157
Energy: 1.4684986724518714
Energy: 1.313829426442368
Energy: 1.512686116927402
Energy: 1.2729279874052348
Energy: 1.3427762780521013
Energy: 1.3956089813974282
Energy: 1.3198290576181
Energy: 1.443093417172674
Energy: 1.2417894598823964
Energy: 1.2820312125059263
Energy: 1.4024507939479072
Energy: 1.4020376412359183
Energy: 1.4520477684184714
Energy: 1.2502551301081546
Energy: 1.4381932792785286
Energy: 1.4680545444988795
Energy: 1.4285234631273442
Energy: 1.331097075563317
Energy: 1.2532612985764644
Energy: 1.4318920824917292
Energy: 1.4675214305265045
Energy: 1.4287880188724151
Energy: 1.4095838687769149
Energy: 1.1889508857132027
Energy: 1.4746440216438028
Energy: 1.353913620879902
Energy: 1.4429370743355212
Energy: 1.5022887115696086
Energy: 1.304979457501359
Energy: 1.5193188210094963
Energy: 1.2655760682831567
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Energy: 1.5425126664144182
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Energy: 1.4740099648605047
Energy: 1.4896875434614174
Energy: 1.4890691504433415
Energy: 1.512653616212449
Energy: 1.4952681910323993
Energy: 1.4357585967266264
Energy: 1.4719051874479225
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minimum gb energy = 1.1888284695019562 eV
minimum distance =  2.2804469235438 Angstroms
sigma value = 105


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

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Energy: 1.3019608191325234
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Energy: 1.4481986857505047
Energy: 1.3628374355395976
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Energy: 1.3281856020380756
Energy: 1.3278704570169617
Energy: 1.3277410789020958
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Energy: 1.3428578163209215
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Energy: 1.3704982145824711
Energy: 1.370260491305932
Energy: 1.3121225229782782
Energy: 1.3321241138662758
Energy: 1.3272966246954228
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Energy: 1.3626986391894513
Energy: 1.3132025988216998
Energy: 1.380646570769227
Energy: 1.2855633983202035
Energy: 1.3218155833270273
Energy: 1.4254669522378463
Energy: 1.334373779017046
Energy: 1.403664273424379
Energy: 1.287854617718818
Energy: 1.372565621847072
Energy: 1.4513270004097187
Energy: 1.33518345333277
Energy: 1.4496269676933657
Energy: 1.3990051470949614
Energy: 1.4348791505599796
Energy: 1.4619607640165446
Energy: 1.448330435970538
Energy: 1.5193368418956332
Energy: 1.533155798369138
Energy: 1.4246296796180369
Energy: 1.4634702158731936
Energy: 1.448557848062895
Energy: 1.3695933243662142
Energy: 1.3653731335560562
Energy: 1.273791163041806
Energy: 1.273381844980163
Energy: 1.4283857981447148
Energy: 1.3048674224564663
Energy: 1.334531091611123
Energy: 1.2741937589421561
Energy: 1.2718637007720293
Energy: 1.4555641518935332
Energy: 1.3228096555298803
Energy: 1.272435705641999
Energy: 1.2730916495259943
Energy: 1.2715237639362704
Energy: 1.271345025660989
Energy: 1.2635478799033342
Energy: 1.271924295379019
Energy: 1.2729128761842305
Energy: 1.2720321187625403
Energy: 1.3378580314128805

minimum gb energy = 1.2635478799033342 eV
minimum distance =  2.23574338897191 Angstroms
sigma value = 165


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

Energy: 1.463467494801057
Energy: 1.3844867715402855
Energy: 1.3349682042302513
Energy: 1.4038451559548957
Energy: 1.3195432875253073
Energy: 1.4125798590678207
Energy: 1.3372651756276055
Energy: 1.4040978330511
Energy: 1.3871504119254072
Energy: 1.4496185578403131
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Energy: 1.406669764615045
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Energy: 1.437002576711741
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Energy: 1.481955672936149
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Energy: 1.3803488342553558
Energy: 1.460362292633331
Energy: 1.4313193207972588
Energy: 1.4979768750299371
Energy: 1.495955735222055
Energy: 1.4139996341862444
Energy: 1.454542087046704
Energy: 1.4498532995424056
Energy: 1.3167623738586223
Energy: 1.3169379940667763
Energy: 1.330110873166598
Energy: 1.4559018530274075
Energy: 1.4551835024935371
Energy: 1.4076266065965917
Energy: 1.525923473044596
Energy: 1.3571277335136287
Energy: 1.3863399449286398
Energy: 1.391917320945733
Energy: 1.3950631551640251
Energy: 1.3802864464013829
Energy: 1.3182022673087797
Energy: 1.4475079128144448
Energy: 1.3924077225866116
Energy: 1.3527015882102118
Energy: 1.3801735026096782
Energy: 1.4230344174396814
Energy: 1.381023082756046
Energy: 1.5361782019400794
Energy: 1.4592268933539168
Energy: 1.3355429172294022
Energy: 1.3183178447808412
Energy: 1.3739392030067046
Energy: 1.3876705154052693
Energy: 1.3877232533500194
Energy: 1.337351946682193
Energy: 1.4144424402342772

minimum gb energy = 1.3068996704642983 eV
minimum distance =  2.29786043414164 Angstroms
sigma value = 41


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

Energy: 1.2538959096160969
Energy: 1.1601841347628046
Energy: 1.1804118443961364
Energy: 1.1359368250768747
Energy: 1.1024304182966649
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Energy: 1.2720031967428473
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Energy: 1.3201081699377
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Energy: 1.2104069592021696
Energy: 1.239378729635659
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Energy: 1.284892096892581
Energy: 1.1826718353852546
Energy: 1.1628445316792593
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Energy: 1.3189117890840496
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Energy: 1.2393039192043287
Energy: 1.2115155020654826
Energy: 1.2865302052967689
Energy: 1.2023413673242092
Energy: 1.126946361966563
Energy: 1.1637076359030674
Energy: 1.2178375265344563
Energy: 1.3198409994863756
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Energy: 1.2106558134554617
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Energy: 1.1819598894835655
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Energy: 1.261039561970334
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Energy: 1.1792654008474743
Energy: 1.208502353416341
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Energy: 1.1273645510353096
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Energy: 1.3048043207903013
Energy: 1.1897725113444286
Energy: 1.20951715990698
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Energy: 1.2834874460831858
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Energy: 1.3000926275351326
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Energy: 1.3171032492421741
Energy: 1.315389663950621
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Energy: 1.3001947166137797
Energy: 1.2104871544306
Energy: 1.3257457259585155
Energy: 1.2788205646735396
Energy: 1.2706819204089441
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Energy: 1.1652463224704168
Energy: 1.326991738393526
Energy: 1.231735309045355
Energy: 1.2966449415321382
Energy: 1.326638988356773
Energy: 1.1658780848866535
Energy: 1.294696632416838
Energy: 1.3001100009610533
Energy: 1.315276366771844
Energy: 1.1380043755478204
Energy: 1.2265594533839719
Energy: 1.293587007477093
Energy: 1.231317159306672
Energy: 1.3151054533053042
Energy: 1.2361349488061621
Energy: 1.2490687309631028
Energy: 1.3204616482774212
Energy: 1.315852487280889
Energy: 1.1413763181522278
Energy: 1.1799004411685672
Energy: 1.244368230897346
Energy: 1.314686966467171
Energy: 1.3151280633358986
Energy: 1.2354702141621272
Energy: 1.1752144551113761
Energy: 1.1380132337131856
Energy: 1.1380253841754286
Energy: 1.294294739610034
Energy: 1.2449327834480837
Energy: 1.158006988344985
Energy: 1.2026201691111262
Energy: 1.2196401659519631
Energy: 1.3040749014194613
Energy: 1.202353538006208
Energy: 1.18391519703882
Energy: 1.2375258389134671
Energy: 1.272722103400066
Energy: 1.145670991042392
Energy: 1.1485787962741465
Energy: 1.244828354668725
Energy: 1.1383129721669878
Energy: 1.3055058248245233
Energy: 1.2097240694789526
Energy: 1.248747179276721
Energy: 1.1763581778025682
Energy: 1.1998853889819918
Energy: 1.2987259425735205
Energy: 1.170860829707303
Energy: 1.1328793217409514
Energy: 1.1839460069874528
Energy: 1.1982857030616954
Energy: 1.1991047527060854
Energy: 1.1817597244272409
Energy: 1.2453199957206873
Energy: 1.188369893451589
Energy: 1.3371259093325685
Energy: 1.3352298505017208
Energy: 1.1894596627723044
Energy: 1.1819016996246272
Energy: 1.1300026690121803
Energy: 1.2475527400625301
Energy: 1.293577574966583
Energy: 1.179671510125495
Energy: 1.1317472638620822
Energy: 1.1299577172871818
Energy: 1.2886285641936763
Energy: 1.1301638101125355
Energy: 1.1798254760431777
Energy: 1.1363149316356287
Energy: 1.1277720244870242
Energy: 1.2082375787560338
Energy: 1.130502299684468
Energy: 1.1403234154990822
Energy: 1.1365581750343803
Energy: 1.1595931014955845

minimum gb energy = 1.1024304182966649 eV
minimum distance =  2.31512704485249 Angstroms
sigma value = 185


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

Energy: 0.7855956230502367
Energy: 0.7086159548272333
Energy: 0.8649435729635141
Energy: 0.8481735325829418
Energy: 0.5418635036541711
Energy: 0.5794529487060113
Energy: 0.8767739887180688
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Energy: 0.7034240356250121
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Energy: 0.8754931274919142
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Energy: 0.86839036288959
Energy: 0.9060500988703114
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Energy: 0.8859398808605911
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Energy: 0.8693693708081226
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Energy: 0.5389281087343546
Energy: 0.9287115057435137
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Energy: 0.9031744479675392
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Energy: 0.5402051929357891
Energy: 0.9285660447805268
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Energy: 0.8855880211375573
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Energy: 0.539225294931819
Energy: 0.9155497908522198
Energy: 0.8734428075535203
Energy: 0.8612965563138932
Energy: 0.5387671516694037
Energy: 0.5404888468238814
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Energy: 0.8982027557342827
Energy: 0.9021440471312514
Energy: 0.5384639327588109
Energy: 0.5413003833946018
Energy: 0.8994765554235216
Energy: 0.8687302274766883
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Energy: 0.5366381410908821
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Energy: 0.9006042921603514
Energy: 0.8804769218031249
Energy: 0.8427471641498617
Energy: 0.5389576806138989
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Energy: 0.8943539593338423
Energy: 0.9059829256354371
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Energy: 0.8638856916471263
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Energy: 0.8532549394047034
Energy: 0.8519317988717271
Energy: 0.8837882471565213
Energy: 0.7029017063938297
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Energy: 0.8861528456294805
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Energy: 0.8925588273786691
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Energy: 0.9029908963140835
Energy: 0.872429209687488
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Energy: 0.8644437763292889
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Energy: 0.8737302349186543
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Energy: 0.8609352040966971
Energy: 0.878351421794533
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Energy: 0.5392557307934618
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Energy: 0.9072957434916561
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Energy: 0.5400641444860445
Energy: 0.9181839976187531
Energy: 0.8977880292477975
Energy: 0.9311896953666708
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Energy: 0.8866305269124051
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Energy: 0.8833250306933101
Energy: 0.8564320516344225
Energy: 0.946786771211396
Energy: 0.8710041620777084
Energy: 0.8910870203060112
Energy: 0.8621384486481914
Energy: 0.5402485689864612
Energy: 0.53940016467029
Energy: 0.9169836206221034
Energy: 0.8870009774599605
Energy: 0.9019173951771108
Energy: 0.5431281620402901
Energy: 0.538783849237307
Energy: 0.9025548572881559
Energy: 0.8676052902893046
Energy: 0.9141610813657903
Energy: 0.9061299570899918
Energy: 0.5385908984661684
Energy: 0.8606444204816085
Energy: 0.8961628168163245
Energy: 0.8683524882801567
Energy: 0.9454504891258789
Energy: 0.926492574425493
Energy: 0.9038047166152373
Energy: 0.8764259643222712
Energy: 0.8711994765307025
Energy: 0.5389444009627284
Energy: 0.8669713291288134
Energy: 0.8760441216564757
Energy: 0.8752610360163088
Energy: 0.8771445098495408
Energy: 0.5397364667496162
Energy: 0.9075219847423499
Energy: 0.9158972743100469
Energy: 0.841541498685288
Energy: 0.5397130522292275
Energy: 0.5404147751190409
Energy: 0.8534627246145086
Energy: 0.9023432479918342
Energy: 0.9050217012500943
Energy: 0.5389500904658522
Energy: 0.5412964642245325
Energy: 0.8555932824341276
Energy: 0.8705502466522105
Energy: 0.8653681620018051
Energy: 0.8770594244642175
Energy: 0.9012586110427485
Energy: 0.8765660880098338
Energy: 0.8672408509444834
Energy: 0.899316832265569
Energy: 0.9147947828200477
Energy: 0.88696835551102
Energy: 0.856583658057584
Energy: 0.8561400553646418
Energy: 0.8918139644884
Energy: 0.7014310125059944
Energy: 0.8989467065220254
Energy: 0.8695198630132368
Energy: 0.8532775884513844
Energy: 0.8965443224366324
Energy: 0.5383658914222582
Energy: 0.8779967862328224
Energy: 0.8511362654557928
Energy: 0.8710117250517707
Energy: 0.7104325279706765

minimum gb energy = 0.5361612075358466 eV
minimum distance =  2.39844848935201 Angstroms
sigma value = 33


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

Energy: 1.1406086998967042
Energy: 1.1258078488176455
Energy: 1.133025810862286
Energy: 1.1221973399118024
Energy: 1.108888008433537
Energy: 1.1072246981764375
Energy: 1.1251222005505768
Energy: 1.117704545623613
Energy: 1.1319618723825042
Energy: 1.121620810554737
Energy: 1.1233875529019948
Energy: 1.1222437340118612
Energy: 1.1214704362785566
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Energy: 1.1390116910784012
Energy: 1.1146560649366448
Energy: 1.1254820694838115
Energy: 1.113811950377046
Energy: 1.1219024160415696
Energy: 1.1367844087436907
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Energy: 1.1242000078854721
Energy: 1.1262285289286047
Energy: 1.1182446083393147
Energy: 1.135047281432307
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Energy: 1.1171355929909828
Energy: 1.1292301484084182
Energy: 1.1207737463048981
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Energy: 1.1372151003513187
Energy: 1.1358117241648689
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Energy: 1.1247090271301994
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Energy: 1.1138999267059404
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Energy: 1.1227032718176817
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Energy: 1.1286081759041064
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Energy: 1.1231732564166126
Energy: 1.1328368684594505
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Energy: 1.1211197332498306
Energy: 1.1157238865196604
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Energy: 1.119900391750261
Energy: 1.1083315679247772
Energy: 1.1118491450501111
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Energy: 1.1298711193431439
Energy: 1.1074518435894254
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Energy: 1.1370708041546003
Energy: 1.1360365652005453
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Energy: 1.127035205029993
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Energy: 1.1191824996255835
Energy: 1.1199029352648204
Energy: 1.1231220521792618
Energy: 1.1222389700250086
Energy: 1.1268080388385402
Energy: 1.1273247684610115
Energy: 1.1218545426985163
Energy: 1.1235633853050946
Energy: 1.1201343784968156
Energy: 1.1143237026403907
Energy: 1.1103203931147003
Energy: 1.1228332032710309
Energy: 1.1113029693212728
Energy: 1.1211470512992365
Energy: 1.1158751438111156
Energy: 1.1289729410504465
Energy: 1.1221751281225718
Energy: 1.1270703702351719
Energy: 1.1216157464400949
Energy: 1.115429734582297
Energy: 1.1201952838225668
Energy: 1.122950731880653
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Energy: 1.0934969370318177
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Energy: 1.1114765317788446
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Energy: 1.1754284636275352
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Energy: 1.1264610587061403
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Energy: 1.1133715026526267
Energy: 1.1285498813948014
Energy: 1.1410318328125864
Energy: 1.1254358855147852
Energy: 1.1275609108266358
Energy: 1.1165183566045715
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Energy: 1.1190734891192755
Energy: 1.1224018872135197
Energy: 1.120532818463054
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Energy: 1.1220635748273726
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Energy: 1.1142101168861103
Energy: 1.1204368362983754
Energy: 1.1197689144477956
Energy: 1.1224259264961693
Energy: 1.1264970593234278
Energy: 1.1180707525067979
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Energy: 1.119608695338358
Energy: 1.1140915989144173
Energy: 1.121570780499154
Energy: 1.1241838889037314
Energy: 1.1182716914052133
Energy: 1.1223682436573756
Energy: 1.118100790495773
Energy: 1.1235819004031438
Energy: 1.1243670745203038
Energy: 1.1109845390242497
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Energy: 1.1136661404100952
Energy: 1.1078722016808993
Energy: 1.1246820071736783
Energy: 1.1209452557278488
Energy: 1.1250189926736027
Energy: 1.1207283485667614

minimum gb energy = 1.0934969370318177 eV
minimum distance =  2.28647037376123 Angstroms
sigma value = 219


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

Energy: 1.5130305880787909
Energy: 1.55096117023892
Energy: 1.5491744250726116
Energy: 1.534760965464955
Energy: 1.5515804233970096
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Energy: 1.5421910175996587
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Energy: 1.5399525848633642
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Energy: 1.5274213427612169
Energy: 1.538148040350351
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Energy: 1.5278931566651568
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Energy: 1.51953829686049
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Energy: 1.5616714618319723
Energy: 1.55117648496828
Energy: 1.533630338887025
Energy: 1.5618091875742743
Energy: 1.518296277261326
Energy: 1.52904136369151
Energy: 1.536808016951079
Energy: 1.5424959676028707
Energy: 1.555783676412923
Energy: 1.5158541038268714
Energy: 1.5259286539872494
Energy: 1.5398618818772551
Energy: 1.5442861061505853
Energy: 1.5486332943115102
Energy: 1.5404644858158145
Energy: 1.5267846851290192
Energy: 1.5266218666579237
Energy: 1.5399869611187984
Energy: 1.5474328785238414
Energy: 1.540633744233268
Energy: 1.5270337302721904
Energy: 1.5315596018787205
Energy: 1.5393132233932847

minimum gb energy = 1.5130305880787909 eV
minimum distance =  2.30710860660086 Angstroms
sigma value = 15


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

Energy: 1.7215019343852989
Energy: 1.7211079791315607
Energy: 1.795622343692618
Energy: 1.7329160293449883
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Energy: 1.7311520845867747
Energy: 1.7378225025939666
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Energy: 1.735594745705653
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Energy: 1.7364318437124697
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Energy: 1.7837206863517872
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Energy: 1.7866003716751526
Energy: 1.7456180719113665
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Energy: 1.7336875970402472
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Energy: 1.7755236280094147
Energy: 1.7091381971532833
Energy: 1.720529982240154
Energy: 1.7317988940151188
Energy: 1.7287936394477916
Energy: 1.7318133237809044
Energy: 1.8400941640152737
Energy: 1.7322251617295668
Energy: 1.7443108037249682
Energy: 1.7380856712520572
Energy: 1.7329565530003659
Energy: 1.7357850500109184
Energy: 1.7907097313601288
Energy: 1.750956080097492
Energy: 1.7304328459049152
Energy: 1.8442994777651736
Energy: 1.7247810849684726
Energy: 1.7355632671123726
Energy: 1.731058453507515
Energy: 1.7379842178675906
Energy: 1.7292784867916335
Energy: 1.745374130051304
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minimum gb energy = 1.703237609169961 eV
minimum distance =  2.27470504965876 Angstroms
sigma value = 293


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

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Energy: 1.7274889284919066
Energy: 1.7311945302258658
Energy: 1.7111394596960332
Energy: 1.7179001072318134
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Energy: 1.7276483307432373
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Energy: 1.7086256135780902
Energy: 1.7153853804047285
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Energy: 1.7161366217625031
Energy: 1.7304414134672375
Energy: 1.7977752517086816
Energy: 1.7167447967655414
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Energy: 1.7295844791249946
Energy: 1.7624598215946141
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Energy: 1.7611831388660333
Energy: 1.717010546267222
Energy: 1.7082651765889263
Energy: 1.7091836203338595
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Energy: 1.726477275761289
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Energy: 1.784216857419095
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Energy: 1.730707822179983
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Energy: 1.782389536294003
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Energy: 1.7059355793072324
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Energy: 1.697968985621737
Energy: 1.7298393635514193
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Energy: 1.6988119734171725
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Energy: 1.7291560417603906
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Energy: 1.7069297650093784
Energy: 1.6947029755583318
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Energy: 1.7303867824002255
Energy: 1.6938135682565456
Energy: 1.6925629033768583
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Energy: 1.739974071240016
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Energy: 1.708605099139875
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Energy: 1.7647928688691088
Energy: 1.7382435379634325
Energy: 1.7242796385321724
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Energy: 1.7285768334500409
Energy: 1.7825615086644269
Energy: 1.7385626305652147
Energy: 1.7254032727610251
Energy: 1.771703470439371
Energy: 1.725044035194614
Energy: 1.7136387085737954
Energy: 1.7239624406352676
Energy: 1.741700878265696
Energy: 1.7622010549536984
Energy: 1.7354930561599702
Energy: 1.7315479368096796
Energy: 1.723620346646848
Energy: 1.811212068608701
Energy: 1.748425188546832
Energy: 1.7061974319180995
Energy: 1.8448982764099526
Energy: 1.7161794138574187
Energy: 1.7170551494167814
Energy: 1.735751436975814
Energy: 1.7048702639654356
Energy: 1.7954298377980522
Energy: 1.7136369617552234
Energy: 1.716161482282662
Energy: 1.744106958228962
Energy: 1.7058917334284713
Energy: 1.7161846967796794
Energy: 1.759850650848831
Energy: 1.7157292288398633
Energy: 1.7188277393953457
Energy: 1.7291416668869626
Energy: 1.7153319774054665
Energy: 1.759540112153806
Energy: 1.713552802292213
Energy: 1.7265955092585883
Energy: 1.702935766047542
Energy: 1.7333012608184177
Energy: 1.7951938129745262
Energy: 1.7359549474159304
Energy: 1.7090461387934206
Energy: 1.7201981627144813
Energy: 1.723016397688779
Energy: 1.773431288467826
Energy: 1.723629905662494
Energy: 1.7302011495323164
Energy: 1.7185739239633822
Energy: 1.7231784588093577
Energy: 1.784275328284296
Energy: 1.7287551778293038
Energy: 1.7262761970282439
Energy: 1.779818819711021
Energy: 1.7002159670867278
Energy: 1.785221075164059
Energy: 1.7256707417502613
Energy: 1.7773924266339014
Energy: 1.771564696352485
Energy: 1.7235283362337133
Energy: 1.7956736718272615
Energy: 1.7386329170171317
Energy: 1.728957901529374
Energy: 1.794534300802818
Energy: 1.714720089614538
Energy: 1.8128038738867711
Energy: 1.8287318419943803
Energy: 1.7237814995026997
Energy: 1.8107705799469875
Energy: 1.7140400765253285
Energy: 1.7674287274725424
Energy: 1.7292802181104396
Energy: 1.7438758514765322
Energy: 1.8136684265115346
Energy: 1.6932759806072892
Energy: 1.7226356140793035
Energy: 1.7243975343023494
Energy: 1.7443154783561212
Energy: 1.841693092965305

minimum gb energy = 1.6925629033768583 eV
minimum distance =  2.24732065525329 Angstroms
sigma value = 293


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

Energy: 1.7105569156592477
Energy: 1.690584482405379
Energy: 1.8113390390409172
Energy: 1.7109993167531017
Energy: 1.6908380242473044
Energy: 1.7101608268260278
Energy: 1.7087995519056725
Energy: 1.8120120259872698
Energy: 1.7091462361331997
Energy: 1.6914121993480298
Energy: 1.6999221003622038
Energy: 1.7074984645408822
Energy: 1.7064325651797192
Energy: 1.7071812676359763
Energy: 1.706499455847816
Energy: 1.8211486912488821
Energy: 1.7081943354838574
Energy: 1.6924946308274114
Energy: 1.7082474128886347
Energy: 1.705969369375149
Energy: 1.7098559127863986
Energy: 1.7087065577909595
Energy: 1.7110740333816334
Energy: 1.710994906899919
Energy: 1.8215093198097778
Energy: 1.7083295647753751
Energy: 1.7079261884881893
Energy: 1.709010825948143
Energy: 1.8174820445818753
Energy: 1.8189765122875363
Energy: 1.81292222641844
Energy: 1.692999927662138
Energy: 1.6930438269226638
Energy: 1.7069092348270274
Energy: 1.8179204202108217
Energy: 1.812430235426563
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Energy: 1.7082127196345287
Energy: 1.698351406107137
Energy: 1.7086962731505682
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Energy: 1.7090820186821358
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Energy: 1.8126044340003902
Energy: 1.7077721045672636
Energy: 1.710054841645867
Energy: 1.6916377239509908
Energy: 1.7090720553639998
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Energy: 1.71248074474441
Energy: 1.690997118460714
Energy: 1.811853694277482
Energy: 1.6982093398428453
Energy: 1.7068867766665807
Energy: 1.707255677077928
Energy: 1.7091857123422494
Energy: 1.812142819507683
Energy: 1.6976860210120583
Energy: 1.7063099629844105
Energy: 1.706983367567333
Energy: 1.7081925603936106
Energy: 1.7077696612508595
Energy: 1.8231879167035827
Energy: 1.7101407175651782
Energy: 1.7089107439726439
Energy: 1.6918672271304558
Energy: 1.7085553311594905
Energy: 1.826861150291909
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Energy: 1.7106004604697036
Energy: 1.691525124462626
Energy: 1.70735381889191
Energy: 1.693146916410267
Energy: 1.7065095336863445
Energy: 1.6945992115648716
Energy: 1.8185097726873674
Energy: 1.7066192833896887
Energy: 1.706751934370663
Energy: 1.705956468332141
Energy: 1.6970444816444987
Energy: 1.8175386036213965
Energy: 1.712146233229384
Energy: 1.7112503336685803
Energy: 1.8275475530919976
Energy: 1.8120355319591424
Energy: 1.7121279159643688
Energy: 1.7121371561778318
Energy: 1.7118845235365405
Energy: 1.8269213905984987
Energy: 1.816723691948034
Energy: 1.7092889956775534
Energy: 1.7000772589380069
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Energy: 1.7147149688330976
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Energy: 1.6974978404253513
Energy: 1.7067487698574844
Energy: 1.6972826955384521
Energy: 1.8124225265992289
Energy: 1.8212248653124699
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Energy: 1.7108036550421715
Energy: 1.7128158796397146
Energy: 1.7107187293916775
Energy: 1.6907315439050814
Energy: 1.7111445849131195
Energy: 1.7091432679289436
Energy: 1.7115652310675
Energy: 1.7093313711422709
Energy: 1.6912969810402714
Energy: 1.8180093724584514
Energy: 1.707427316903743
Energy: 1.706291981714665
Energy: 1.7071654226607704
Energy: 1.7058011528325092
Energy: 1.8207991638542609
Energy: 1.708093567711283
Energy: 1.6934866847626677
Energy: 1.707941550920638
Energy: 1.7057116190376866
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Energy: 1.7092018044304007
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Energy: 1.7119019174326127
Energy: 1.8212597702652997
Energy: 1.7087867055407002
Energy: 1.7080952107320861
Energy: 1.7093704194811326
Energy: 1.8124069827841014
Energy: 1.8192140407106319
Energy: 1.8138568468890977
Energy: 1.692992101047389
Energy: 1.6934822999267491
Energy: 1.7068276203046788
Energy: 1.8177118052052232
Energy: 1.8125696466955077
Energy: 1.694066534839247
Energy: 1.6920294028438916
Energy: 1.7079637157732777
Energy: 1.820344487774319
Energy: 1.7092151907173456
Energy: 1.6913790378433708
Energy: 1.70683564888853
Energy: 1.7106813250054924
Energy: 1.708576042213424
Energy: 1.7075284706854172
Energy: 1.6929212513464564
Energy: 1.702893843288808
Energy: 1.708847717028139
Energy: 1.707275272223887
Energy: 1.7078531152406071
Energy: 1.8127865931800804
Energy: 1.7075255700890293
Energy: 1.7095918456329122
Energy: 1.6921072684279548
Energy: 1.7088288927955277
Energy: 1.8115917365773788
Energy: 1.7085810235751522
Energy: 1.7120503839528727
Energy: 1.6908581980006534
Energy: 1.812030688355206
Energy: 1.6983405409060532
Energy: 1.7069593712385747
Energy: 1.7072646759970809
Energy: 1.709424932654271
Energy: 1.812480309850651
Energy: 1.697722220352796
Energy: 1.7064156978650624
Energy: 1.7070182157850786
Energy: 1.7086444408939538
Energy: 1.707440160879022
Energy: 1.823481513723972
Energy: 1.710132788290781
Energy: 1.7081547796968157
Energy: 1.6920456907747787
Energy: 1.7080740513452348
Energy: 1.8270097540151773
Energy: 1.71088647654399
Energy: 1.7105029091697195
Energy: 1.6923842109505751
Energy: 1.7074957793768448
Energy: 1.692840673228999
Energy: 1.7066772125039449
Energy: 1.694345407808076
Energy: 1.8187381330681658
Energy: 1.7067137963336565
Energy: 1.7065366679867595
Energy: 1.7059351769987883
Energy: 1.6967266494889293
Energy: 1.7081317168937076
Energy: 1.7116935273652625
Energy: 1.7118802506532935
Energy: 1.8272745989720716
Energy: 1.8121196854707065
Energy: 1.710889384098753
Energy: 1.7120899679620623
Energy: 1.711744727480823
Energy: 1.833072818854684
Energy: 1.7083004915103135
Energy: 1.710289376869477
Energy: 1.6927636882396557
Energy: 1.706717623113971
Energy: 1.7141319592378537
Energy: 1.8132636830362285
Energy: 1.8181618793807135
Energy: 1.697587869320598
Energy: 1.7065663600973464
Energy: 1.6970414944746024
Energy: 1.8123167197144632
Energy: 1.8205834284970985

minimum gb energy = 1.690584482405379 eV
minimum distance =  2.29380144654144 Angstroms
sigma value = 15


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

Energy: 1.667916598720628
Energy: 1.7548397658307884
Energy: 1.7563557478089262
Energy: 1.737621986337794
Energy: 1.7535770118742608
Energy: 1.6498536635042693
Energy: 1.7316869057201507
Energy: 1.824596929389372
Energy: 1.742644656208468
Energy: 1.6441840963725094
Energy: 1.6253462752482928
Energy: 1.7376547049562483
Energy: 1.7104842324876668
Energy: 1.7014297947972792
Energy: 1.8043381307251865
Energy: 1.633583036277036
Energy: 1.7364451550879585
Energy: 1.6462140456377259
Energy: 1.6840552799276554
Energy: 1.6918102498676013
Energy: 1.815140914260232
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Energy: 1.6439838499187163
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Energy: 1.723453222785675
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Energy: 1.709802109549964
Energy: 1.6470406852168529
Energy: 1.7213196482890434
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Energy: 1.648592446991452
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Energy: 1.647747003683902
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Energy: 1.6450400235160434
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Energy: 1.6462088716921397
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Energy: 1.6780449016131527
Energy: 1.6349270645164016
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Energy: 1.6250056957481154
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Energy: 1.6621533442055565
Energy: 1.712189364476233
Energy: 1.7477289179993847
Energy: 1.661135498999813
Energy: 1.7190049306260662
Energy: 1.62661048558594
Energy: 1.6803531578970943
Energy: 1.6257255385976344
Energy: 1.652158944765893
Energy: 1.7136109414838743
Energy: 1.7996581112226324
Energy: 1.6844585704660215
Energy: 1.6503868538454118
Energy: 1.778531967667699
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Energy: 1.6260144717624219
Energy: 1.6523771946764667
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Energy: 1.7041737651508446
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Energy: 1.7174411940320335
Energy: 1.6806995407760006
Energy: 1.6535841485856329
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Energy: 1.6263924953901991
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Energy: 1.6752354302629746
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Energy: 1.8006986194638717
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Energy: 1.6842831357071297
Energy: 1.7085660956552535
Energy: 1.8315097867568566
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Energy: 1.6722369052503845
Energy: 1.6619293179913208
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Energy: 1.681680000978465
Energy: 1.6937492573767028
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Energy: 1.6693106097814587
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Energy: 1.6429496791782106
Energy: 1.6716443818560356
Energy: 1.646723328613476
Energy: 1.6471760024363997
Energy: 1.7601923350882573
Energy: 1.6770732585647188
Energy: 1.6469150081181934
Energy: 1.7211457827401926
Energy: 1.7133125556897866
Energy: 1.7377302137301442
Energy: 1.6469707313328434
Energy: 1.645229981726115
Energy: 1.6283911769900001
Energy: 1.7104420734470136
Energy: 1.6303121003664325
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Energy: 1.7353940152863465
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Energy: 1.7171500625943057
Energy: 1.6302067887358394
Energy: 1.6315383398310075
Energy: 1.7568588441904724
Energy: 1.626529151060371
Energy: 1.7163891810223255
Energy: 1.6594382256407259
Energy: 1.6320196757413454
Energy: 1.629553515838903
Energy: 1.6467508436627416
Energy: 1.6902519768255682
Energy: 1.660251480879124
Energy: 1.6639670143282044
Energy: 1.6885316572933344
Energy: 1.6883192177381923
Energy: 1.6317531254986444
Energy: 1.6290203958019889
Energy: 1.6927475895214612
Energy: 1.629690859028865
Energy: 1.6390536079290032
Energy: 1.7391678138403721
Energy: 1.628694381696213
Energy: 1.6517143655600686
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Energy: 1.7038399704103722
Energy: 1.7462535191172184
Energy: 1.648307453614024
Energy: 1.7133285221294192
Energy: 1.7931283550510602
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Energy: 1.7071218679292763
Energy: 1.6477771394595224
Energy: 1.690488304689346
Energy: 1.6762645475763853
Energy: 1.6465585283321469
Energy: 1.6918339561926738
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Energy: 1.7218073193451384
Energy: 1.744779676866576
Energy: 1.646369084973145
Energy: 1.7157814362935184
Energy: 1.7285430777695772
Energy: 1.628507702491753
Energy: 1.706025038702267
Energy: 1.6483349936073564
Energy: 1.7493685828071743
Energy: 1.7200527352885238
Energy: 1.6300593779432095
Energy: 1.708546895355009
Energy: 1.6457198325128222
Energy: 1.7257514631440634
Energy: 1.722897215903651
Energy: 1.659655478230255
Energy: 1.8437029734589947
Energy: 1.9341466580812354
Energy: 1.8218544919923294
Energy: 1.6302058847185745
Energy: 1.6606226552678895
Energy: 1.8400218237186838
Energy: 1.8179733996537162
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Energy: 1.696729714832946
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Energy: 1.895123069561041
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Energy: 1.6439111748977968
Energy: 1.6470801137741238
Energy: 1.8059944986468561
Energy: 1.8263879154035938
Energy: 1.6471493439795986
Energy: 1.6481605320967587
Energy: 1.8057782638497033
Energy: 1.6671228911694955
Energy: 1.6320337751394134
Energy: 1.646225843493449
Energy: 1.6467577748058848
Energy: 1.8056287419556274
Energy: 1.6669381836664046
Energy: 1.6463103287128262
Energy: 1.6457861787505654
Energy: 1.6471278582692355
Energy: 1.6896110394305959
Energy: 1.8701794503778448
Energy: 1.6457981215483641
Energy: 1.6449531679798342
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Energy: 1.6890544701499306
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Energy: 1.6453707124042778
Energy: 1.6478797289060363
Energy: 1.646658808283307
Energy: 1.6465658842253417
Energy: 1.7148018376982634
Energy: 1.645629253091372
Energy: 1.6471977399699531
Energy: 1.6462756295449175
Energy: 1.6464457800152223
Energy: 1.72636434931092
Energy: 1.7262744994097245
Energy: 1.7451509443984399
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Energy: 1.6821430461950015
Energy: 1.7024396149433467
Energy: 1.726335216289457
Energy: 1.774630274637003
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Energy: 1.6445810733223243
Energy: 1.6471650050613529
Energy: 1.789188721729608
Energy: 1.6291593870517473
Energy: 1.7213298770408494
Energy: 1.6244621484264852
Energy: 1.6223522072571446
Energy: 1.7365791435538467
Energy: 1.6292798542041083
Energy: 1.7286270291749943
Energy: 1.6350014603050145
Energy: 1.636316970158351
Energy: 1.7663644719972116
Energy: 1.688459982908058
Energy: 1.688537398021047
Energy: 1.6269846574313722
Energy: 1.654797191423569
Energy: 1.7652796672974154
Energy: 1.670934364504677
Energy: 1.7003957428755725
Energy: 1.6362627353354842
Energy: 1.663977741880159
Energy: 1.6250329520657782
Energy: 1.7410169201796575
Energy: 1.6250790876404382
Energy: 1.6255761249543768
Energy: 1.7106330578109255
Energy: 1.6366109719674073
Energy: 1.7685724962154226
Energy: 1.637299732499084
Energy: 1.6362260502352133
Energy: 1.7113568184028807
Energy: 1.746943055848431
Energy: 1.6813788987323377
Energy: 1.6501601500073344
Energy: 1.7258109890243216
Energy: 1.7339241353513923
Energy: 1.772500225102672
Energy: 1.6256720142073546
Energy: 1.6465353033353323
Energy: 1.734672704357625
Energy: 1.7392569208514597
Energy: 1.643918595510166
Energy: 1.6814749206047839
Energy: 1.7436734286452946
Energy: 1.6864790904372662
Energy: 1.6494894220155067
Energy: 1.6440387682981488
Energy: 1.6825368365188516
Energy: 1.7405733719351255
Energy: 1.7173635443266289
Energy: 1.6488983240538415
Energy: 1.647539170196018
Energy: 1.6389693494890565
Energy: 1.6260683461327132
Energy: 1.6927591918258578
Energy: 1.6697578932352108
Energy: 1.6516563798064046
Energy: 1.6378899540838285
Energy: 1.6350822155656979
Energy: 1.6772244058791814
Energy: 1.647687029524819
Energy: 1.930035258278595
Energy: 1.8260576133467805
Energy: 1.625742348535461
Energy: 1.82652933131259
Energy: 1.669319445482357
Energy: 1.704347673641243
Energy: 1.8369316312170958
Energy: 1.6365849910372277
Energy: 1.8352165352985026
Energy: 1.6264644193972189
Energy: 1.626878594629566
Energy: 1.804361840376094
Energy: 1.799581899564258
Energy: 1.6816791913491125
Energy: 1.6814639321603382
Energy: 1.6269268745401895
Energy: 1.8491092931446276
Energy: 1.8622250925870307
Energy: 1.701534036346568
Energy: 1.6464295849844781
Energy: 1.845807040026996
Energy: 1.8578266493443123
Energy: 1.8252869048155669
Energy: 1.6525740334168753
Energy: 1.6437365942610744
Energy: 1.8583963156877106
Energy: 1.858235352729784
Energy: 1.8260992252992267
Energy: 1.6928862047926692
Energy: 1.6470596337072245
Energy: 1.6450254411233194
Energy: 1.647177160315237
Energy: 1.6924586521385612
Energy: 1.644098378663233
Energy: 1.6463787424376284
Energy: 1.6445848593468386
Energy: 1.6495662295471338
Energy: 1.6466060735944195
Energy: 1.6441105241642697
Energy: 1.647653971205471
Energy: 1.6472150140040147
Energy: 1.644577407663036
Energy: 1.7248937757514338
Energy: 1.6457935364261198
Energy: 1.6459963603143395
Energy: 1.7520241384607398
Energy: 1.6829707365846487
Energy: 1.7101997317864253
Energy: 1.644647973872752
Energy: 1.64711625463365
Energy: 1.7439223702184448
Energy: 1.6465320815993811
Energy: 1.651923616518624
Energy: 1.7338904837971447
Energy: 1.6931015632129396
Energy: 1.730960536911349
Energy: 1.6463579481399464
Energy: 1.652319163378806
Energy: 1.7467191178395416
Energy: 1.6929057237685479
Energy: 1.6525052594350615
Energy: 1.6531165642606331
Energy: 1.75244268857227
Energy: 1.6272105666032155
Energy: 1.64488031024368
Energy: 1.6329903480240764
Energy: 1.6338051286178825
Energy: 1.7632853009876106
Energy: 1.6274352931789315
Energy: 1.64442161100051
Energy: 1.653620324700276
Energy: 1.6556726542711697
Energy: 1.6523841108133985
Energy: 1.6439756940015016
Energy: 1.6596275722011082
Energy: 1.6849045929130684
Energy: 1.6480890397795291
Energy: 1.7060464587840782
Energy: 1.6439874556775953
Energy: 1.6540658115216815
Energy: 1.6521121541797368
Energy: 1.6334519388205806
Energy: 1.628738150282298
Energy: 1.8447793816450189
Energy: 1.7657792768804563
Energy: 1.6316092722434234
Energy: 1.752221698945987
Energy: 1.6291005126723312
Energy: 1.7221594466096615
Energy: 1.752262542226311
Energy: 1.788904505715982
Energy: 1.7553330851522064
Energy: 1.6978359219994992
Energy: 1.7162643303953518
Energy: 1.6237947446374412
Energy: 1.701414335948297
Energy: 1.7701620855035762
Energy: 1.6472480379751642
Energy: 1.7467417671828764
Energy: 1.6297193717220122

minimum gb energy = 1.6223522072571446 eV
minimum distance =  2.24358401657198 Angstroms
sigma value = 437


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

Energy: 1.6528236830690861
Energy: 1.4626984406439831
Energy: 1.5229129525004128
Energy: 1.6475727710025339
Energy: 1.4629185626977437
Energy: 1.627621538424309
Energy: 1.5642469370696463
Energy: 1.5237946538911566
Energy: 1.6453350906918416
Energy: 1.6291728845440503
Energy: 1.4567082733673815
Energy: 1.7127828620523262
Energy: 1.4603490141907705
Energy: 1.7980587640324441
Energy: 1.465463251858261
Energy: 1.4619235729290692
Energy: 1.7138980404290645
Energy: 1.4614693104376482
Energy: 1.7123325595417982
Energy: 1.465805310323865
Energy: 1.6326866841009922
Energy: 1.4645937305272634
Energy: 1.5480313498630176
Energy: 1.5204592256652263
Energy: 1.4638622795326255
Energy: 1.6329245245244375
Energy: 1.6683406098447218
Energy: 1.5489683431853964
Energy: 1.5196762433155324
Energy: 1.4626999684408086
Energy: 1.5210525024875634
Energy: 1.5289000972026041
Energy: 1.7018995238529318
Energy: 1.6312255348783113
Energy: 1.46305401319916
Energy: 1.5215338824147215
Energy: 1.5189283584877535
Energy: 1.7009082256626733
Energy: 1.6310284608812935
Energy: 1.5458473087651974
Energy: 1.6127105492662086
Energy: 1.5635879051821269
Energy: 1.4793942084876555
Energy: 1.48452664193265
Energy: 1.631573249296713
Energy: 1.6124773991843069
Energy: 1.563559220901416
Energy: 1.4797066552513798
Energy: 1.4817821307581396
Energy: 1.630106453504309
Energy: 1.4616481493236595
Energy: 1.5294639958687721
Energy: 1.5474685286660244
Energy: 1.4841270062463194
Energy: 1.6269023421120075
Energy: 1.5636435423354857
Energy: 1.4692731365253044
Energy: 1.623402323923443
Energy: 1.4850955730753541
Energy: 1.6280440048072558
Energy: 1.6369693546231683
Energy: 1.6302027368812106
Energy: 1.6343468480506702
Energy: 1.4650855675517915
Energy: 1.5449172127285362
Energy: 1.6346659469569236
Energy: 1.6312500101403535
Energy: 1.6329638549426422
Energy: 1.5230431174889671
Energy: 1.5451073253658607
Energy: 1.6484060045166364
Energy: 1.4613128000352131
Energy: 1.4687551564799743
Energy: 1.5211324356551148
Energy: 1.715997120416495
Energy: 1.6508418226439785
Energy: 1.4605948518725744
Energy: 1.4700158650979587
Energy: 1.5213569697180034
Energy: 1.7156754633522389
Energy: 1.5207668393822975
Energy: 1.7024709449189832
Energy: 1.565228913843629
Energy: 1.4624141082054176
Energy: 1.5200278717596194
Energy: 1.5199395659334045
Energy: 1.7031555644395922
Energy: 1.564085525124635
Energy: 1.740723498559372
Energy: 1.5183888913091215
Energy: 1.5678986510997834
Energy: 1.479110084447609
Energy: 1.4620957529640788
Energy: 1.8075840193513497
Energy: 1.56682311279942
Energy: 1.4806463899439082
Energy: 1.6311222256099183
Energy: 1.4629933133682513
Energy: 1.8038042137419439
Energy: 1.5665523470672775
Energy: 1.461306130735493
Energy: 1.462502555154903
Energy: 1.5646973415975438
Energy: 1.6276419108826363
Energy: 1.4623969323679054
Energy: 1.4613235058933431
Energy: 1.4627478846153659
Energy: 1.5654923111364007
Energy: 1.6287837266122436
Energy: 1.5271024233731931
Energy: 1.4628662088201745
Energy: 1.462917970749683
Energy: 1.4609489746977247
Energy: 1.7368673939017025
Energy: 1.4624331588186106
Energy: 1.4629476062770814
Energy: 1.462707969411191
Energy: 1.4603283454031752
Energy: 1.7102574880304657
Energy: 1.4625544297649369
Energy: 1.4616770579920244
Energy: 1.464945028647515
Energy: 1.5464017683925966
Energy: 1.7158377628884318
Energy: 1.5662541810444488
Energy: 1.4613077281331346
Energy: 1.4690610596746676
Energy: 1.5463741079656586
Energy: 1.7134802317660078
Energy: 1.4642584611095777
Energy: 1.4619486413661524
Energy: 1.5665676784298468
Energy: 1.8410815615123455
Energy: 1.4616401666898609
Energy: 1.4665771870334383
Energy: 1.7552149356965323
Energy: 1.5668033611635657
Energy: 1.6573603874899776
Energy: 1.4614024687284857
Energy: 1.557502927948986

minimum gb energy = 1.4567082733673815 eV
minimum distance =  2.29595814990253 Angstroms
sigma value = 33