Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890356361865998
cohesive_energy=3.9103032749768927
mass=106.42
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=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43053399731068e-19, 2.8851035519091596e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.09479352198928e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.258294193600079e-19, 6.264510638939999e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.93023250602224e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8666916346066994e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.64459936349052e-18, -5.125090682138219e-18, -7.3104916544469e-18, -1.0682993360185199e-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: 0.014733292829943286
Energy: 0.018812069917704507
Energy: 0.10858843413526337
Energy: 0.10807572097659149
Energy: 0.018010049972152394
Energy: 0.016068221825515344
Energy: 0.10551508021252454
Energy: 0.10793174179641267
Energy: 0.10743799020436257
Energy: 0.01738954300460118
Energy: 0.015167762225647759
Energy: 0.10603047191990464
Energy: 0.10610259853228639
Energy: 0.10816247685408785
Energy: 0.10804466772390996
Energy: 0.1066629954882591
Energy: 0.10615556944429326
Energy: 0.10584379047016612
Energy: 0.1079598018996955
Energy: 0.10792312849492226
Energy: 0.10884521834179538
Energy: 0.018151501374173522
Energy: 0.015107707442941577
Energy: 0.10630536042137934
Energy: 0.10752161945577354
Energy: 0.1083863727077775
Energy: 0.017209802497255306
Energy: 0.015112140413663957
Energy: 0.10607526581573971
Energy: 0.10851500679484928
Energy: 0.10745857442176532
Energy: 0.016325316359799755
Energy: 0.015812919381239274
Energy: 0.10557389523110562
Energy: 0.10652691155219463
Energy: 0.10809370770016878
Energy: 0.01562851197432989
Energy: 0.015369826905556761
Energy: 0.10520972085832264
Energy: 0.10633642279631682
Energy: 0.10703567310157915
Energy: 0.10735820570381199
Energy: 0.10565944609568097
Energy: 0.016264370239177442
Energy: 0.015664377679779982
Energy: 0.10640543715338942
Energy: 0.10771762889219183
Energy: 0.10756166573526318
Energy: 0.017157816304077818
Energy: 0.10551845281900683
Energy: 0.10562609194990054
Energy: 0.10639359273522739
Energy: 0.10719331209460667
Energy: 0.015851233530366972
Energy: 0.015375043694544106
Energy: 0.10549673196445697
Energy: 0.10569431794382005
Energy: 0.10729173128620302
Energy: 0.015848253589028177
Energy: 0.015239372281283789
Energy: 0.015214905563926512
Energy: 0.10603477676477875
Energy: 0.10718332344642875
Energy: 0.10705186416459414
Energy: 0.10601601640190302
Energy: 0.020182359540929597
Energy: 0.10616842792545612
Energy: 0.10697855500434823
Energy: 0.10775162338272555
Energy: 0.1077752823670602

minimum gb energy = 0.014733292829943286 eV
minimum distance =  2.71576483073419 Angstroms
sigma value = 3


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

Energy: 1.1811676005068905
Energy: 0.8600455273051338
Energy: 0.8001539428837428
Energy: 0.7708266478147221
Energy: 0.8389235273099024
Energy: 0.8370386798209848
Energy: 0.7689878844264852
Energy: 0.8003740979043215
Energy: 0.8011773153662073
Energy: 0.8596437853311719
Energy: 0.6846487864391901
Energy: 0.9422669030541969
Energy: 0.802242575567911
Energy: 0.861919451520819
Energy: 0.8280156945463089
Energy: 0.7240492171319349
Energy: 0.8568030291775992
Energy: 0.8001604402456919
Energy: 0.7207908567384514
Energy: 0.7285397566433248
Energy: 0.8118996027296054
Energy: 0.9504320222918006
Energy: 0.7694753336409099
Energy: 0.7242710331266817
Energy: 0.8157494121499124
Energy: 0.7246376410236457
Energy: 0.9526869946150248
Energy: 0.7696749945998382
Energy: 0.7243461865912255
Energy: 0.7283029308639298
Energy: 0.7275591389280462
Energy: 0.7740389559371122
Energy: 0.8924340163767114
Energy: 0.7247224206530076
Energy: 0.7667520714177498
Energy: 0.7242467244814401
Energy: 0.8033628830644005
Energy: 0.772829291962051
Energy: 0.7693863491140338
Energy: 0.728486296059006
Energy: 0.9372301155852738
Energy: 0.8616892142049987
Energy: 0.8881224284166879
Energy: 0.7839482026385373
Energy: 0.7800314365351162
Energy: 0.8904720245079832
Energy: 0.8678035943503836
Energy: 0.8815623348804299
Energy: 0.7833072377727703
Energy: 0.7261071970914362
Energy: 0.8630919798457816
Energy: 0.8632289070191334
Energy: 0.8976117238426534
Energy: 0.7835380342305677
Energy: 0.9645981498338234
Energy: 0.862720798859058
Energy: 0.8650298443905229
Energy: 0.8281181797351606
Energy: 0.807087254599991
Energy: 0.9606110903263564
Energy: 0.9075679502864713
Energy: 0.795596188892204
Energy: 0.8619131872424348
Energy: 0.8510758558620403
Energy: 0.827305879531639
Energy: 0.8258734372317935
Energy: 0.9066093128346102
Energy: 0.7249648629738173
Energy: 0.7894297608056303
Energy: 0.8272259120379588
Energy: 0.8258512051104071
Energy: 0.8220802007899359
Energy: 0.8382460648565037
Energy: 1.0207528678563262
Energy: 0.8264344238113035
Energy: 0.8269833364268255
Energy: 0.823391679280299
Energy: 0.8404000552206197
Energy: 1.0176559003682133
Energy: 0.8267033368835061
Energy: 0.9130713529320874
Energy: 0.7030987641386302
Energy: 0.7813545372888159
Energy: 0.8789863731389885
Energy: 0.8188807596567483
Energy: 0.913143862291603
Energy: 0.7084639330548832
Energy: 0.6545513744207248
Energy: 0.9662468144101289
Energy: 0.8833862590694513
Energy: 0.9487697861822283
Energy: 0.7815685601830261
Energy: 0.7794319992179706
Energy: 0.7915204550702403
Energy: 0.7742775409555568
Energy: 0.799956911574704
Energy: 0.7847275013241872
Energy: 0.7863593313425645
Energy: 0.7248004668977007
Energy: 0.7892608561223371
Energy: 0.8969985899739636
Energy: 0.790493068647275
Energy: 0.7791577835325467
Energy: 0.8020867661538474
Energy: 0.8362609863988033
Energy: 0.7978407456784522
Energy: 0.7863034030335241
Energy: 0.7274119091773174
Energy: 0.7805618723839958
Energy: 0.8242128815930891
Energy: 0.9657796379350225
Energy: 0.8074563106728925
Energy: 0.8983275195738883
Energy: 0.9120399901442219
Energy: 0.8190380596374257
Energy: 0.9664575159867465
Energy: 0.7852478174671509
Energy: 0.8995921307439325
Energy: 0.9083996391033047
Energy: 0.8187457264771495
Energy: 0.9675777377851527
Energy: 0.7838298959324569
Energy: 0.8870516058275038
Energy: 0.8651226489644552
Energy: 0.8626276772221672
Energy: 0.9693207896043601
Energy: 0.7924699624736085
Energy: 0.8872425483840393
Energy: 0.8628240352021054
Energy: 0.8622592330173733
Energy: 0.7859803450609386
Energy: 0.8124086675318488
Energy: 0.8263420183419656
Energy: 0.8252772354387702
Energy: 0.8772669969477852
Energy: 0.7804673431615448
Energy: 0.7810365201771342
Energy: 0.911580189176426
Energy: 0.8798178099943502
Energy: 0.8873844353667723
Energy: 1.13963474590513
Energy: 0.8231920577845895
Energy: 0.8246021924115667
Energy: 0.8248662206004067
Energy: 0.839065535394096
Energy: 0.8368365268971869
Energy: 0.8235223882823929
Energy: 0.8243161704286355
Energy: 0.8256599451003599
Energy: 0.8390272527922359
Energy: 0.6481430445917556
Energy: 0.9682551461283082
Energy: 0.8247126723400382
Energy: 0.9152330275702458
Energy: 0.7814286340304547
Energy: 0.6482118323024488
Energy: 0.8201236905592799
Energy: 0.8244086498781261
Energy: 0.9167078327219528
Energy: 0.7873476160610507
Energy: 0.7869306672469936
Energy: 0.9518975705841172
Energy: 0.7697598761053367
Energy: 0.7861270064287097
Energy: 0.7861336358075429
Energy: 0.786170334383614
Energy: 0.7711432479701232
Energy: 0.7698324624003355
Energy: 0.7864851120735897
Energy: 0.8125197098387307
Energy: 0.7883065281682715
Energy: 0.7673652839833033
Energy: 0.7718891172678894
Energy: 0.7870515972427714
Energy: 0.684573873190727
Energy: 0.7827511331270735
Energy: 0.7648743075394643
Energy: 0.7708080650213842
Energy: 0.7854573522545601
Energy: 0.6842818133390525
Energy: 0.8784822658581156
Energy: 0.8253986140902632
Energy: 0.8870779734617835
Energy: 0.8805034029254593
Energy: 0.7852173262881605
Energy: 0.9859805172379543
Energy: 0.8246287832975983
Energy: 0.8838835733018965
Energy: 0.8060849382501918
Energy: 0.7780859696834264
Energy: 0.8624281532368583
Energy: 0.8619105355334589
Energy: 0.8827783704873734
Energy: 0.7807494116794134
Energy: 0.8287617846195993
Energy: 0.8628560917395413
Energy: 0.8617336587284468
Energy: 0.8944946102668078
Energy: 0.7880007741242147
Energy: 0.8857570657373679
Energy: 0.908470662776454
Energy: 0.9101344405809266
Energy: 0.9265900845444996
Energy: 0.7850832919906231
Energy: 0.7913713783981503
Energy: 0.8261670995415796
Energy: 0.9099731364841688
Energy: 0.7254569273455201
Energy: 0.811525043554047
Energy: 0.7723456472317536
Energy: 0.8269732367032158
Energy: 0.8249016679586232
Energy: 1.026312168377348
Energy: 1.0253540887983048
Energy: 0.8268246882309593
Energy: 0.8260502245038408
Energy: 0.8232959481821074
Energy: 0.6506237267831824
Energy: 1.0233487999731812
Energy: 0.8271027000572018
Energy: 0.9110463189222824
Energy: 0.7438048659036884
Energy: 0.6554471752907991
Energy: 0.647261021160989
Energy: 0.7943405047833657
Energy: 0.9110636698774548
Energy: 0.7465246478985073
Energy: 0.6550749353839336
Energy: 0.9684340726289594
Energy: 0.8252174006531228
Energy: 0.7981312070483098
Energy: 0.7874006888205146
Energy: 0.7843341931738377
Energy: 0.7246521731146185
Energy: 0.8230446490571481
Energy: 0.7280335845964946
Energy: 0.7802435675718875
Energy: 0.7866762733417096
Energy: 0.7242400332440012
Energy: 0.8243552214596953
Energy: 0.7149395396076013
Energy: 0.7814455805560344
Energy: 0.7809097884625713
Energy: 0.7251384576570269
Energy: 0.8339322414728827
Energy: 0.7905911374567098
Energy: 0.7788302274163982
Energy: 0.7834916684477933
Energy: 0.7841882149105044
Energy: 0.8240150485339235
Energy: 0.9090854825938179
Energy: 0.7861701643626658
Energy: 0.716061114835521
Energy: 0.8580670592334066
Energy: 0.7948085204799742
Energy: 0.9101140702488836
Energy: 0.7243364456396131
Energy: 0.7876229454115502
Energy: 0.9232321536563188
Energy: 0.796681779798584
Energy: 0.9084675750007954
Energy: 0.7878151762113977
Energy: 0.826723276930733
Energy: 0.8620963998931251
Energy: 0.8625956506712255
Energy: 0.9084282900613173
Energy: 0.7265596209301753
Energy: 0.8272268561114393
Energy: 0.8625366655167741
Energy: 0.8623113357835966
Energy: 0.8019039415867132
Energy: 0.7285936481560443
Energy: 0.8015018486963434
Energy: 0.7711487198086222
Energy: 0.8816631438149544
Energy: 0.723829846844958
Energy: 0.7268886507977482
Energy: 0.8883517560916918
Energy: 0.772781365887628
Energy: 0.9532171501839333
Energy: 0.8601702475871562
Energy: 0.7730000381094663
Energy: 0.8006522103537725
Energy: 0.7713924640464983
Energy: 0.8389001727443863
Energy: 0.8368562629058683
Energy: 0.7688014110345859
Energy: 0.7996904851421507
Energy: 0.8020958794862063
Energy: 0.8635464222376257

minimum gb energy = 0.647261021160989 eV
minimum distance =  2.42732329731222 Angstroms
sigma value = 75


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

Energy: 1.8086811488342365
Energy: 0.9524792487354715
Energy: 0.86003746566398
Energy: 0.8692718663579836
Energy: 0.9468329265061532
Energy: 0.8416984041452495
Energy: 0.835516910259002
Energy: 0.8624134631168885
Energy: 0.8716404398754697
Energy: 0.9605113942204714
Energy: 0.8394857871680564
Energy: 0.870005104959577
Energy: 0.8564109187663703
Energy: 0.8615375775520611
Energy: 0.8613249647470349
Energy: 0.8659559484264525
Energy: 0.8280971385981192
Energy: 0.860413601658941
Energy: 0.9100643472371371
Energy: 0.8508654383764737
Energy: 0.950058797109769
Energy: 1.038047774410619
Energy: 0.9202569428897777
Energy: 0.9197874499126618
Energy: 0.9157447312879391
Energy: 0.8307413111064973
Energy: 1.0379485640509
Energy: 0.919340858601025
Energy: 0.882603547689614
Energy: 0.8783827661861374
Energy: 0.8515300810817538
Energy: 0.8523639359740858
Energy: 0.890502302990072
Energy: 0.8457437373154211
Energy: 0.8756194638281188
Energy: 0.861556243508039
Energy: 0.8820117429151836
Energy: 0.8397972466520528
Energy: 0.9177296557661554
Energy: 0.915214322751691
Energy: 0.8474310530041439
Energy: 0.8296492914810322
Energy: 0.984939378466852
Energy: 0.9216728671147876
Energy: 0.856373156241148
Energy: 0.8737954572371376
Energy: 0.8633990918063402
Energy: 0.9728995399974483
Energy: 0.8704351452823939
Energy: 0.8657896703388273
Energy: 0.830315784595182
Energy: 0.8459870988139441
Energy: 0.9951091257421902
Energy: 0.9053359323425229
Energy: 0.8848668374204984
Energy: 0.8367507411477096
Energy: 0.8555589830922427
Energy: 0.8800864131321972
Energy: 0.9209025034337379
Energy: 0.893706043320787
Energy: 0.8513336587381076
Energy: 0.8978559264201477
Energy: 0.8785888715242726
Energy: 0.8447307351335652
Energy: 0.8546523257623618
Energy: 0.8564283320890443
Energy: 0.9091969515462953
Energy: 0.8567716437778866
Energy: 0.8267499331873153
Energy: 0.8569184658355722
Energy: 0.8836391452066519
Energy: 0.8716925569634639
Energy: 1.0328951586921729
Energy: 1.0329144965212598
Energy: 0.8599054232755357
Energy: 0.8751132452492997
Energy: 0.9403815049561857
Energy: 1.03289432780136
Energy: 1.0274880970687594
Energy: 0.9001324561402818
Energy: 0.8855012617052193
Energy: 0.8597170882842026
Energy: 0.8459075700383543
Energy: 0.8801420136422234
Energy: 0.911184975282318
Energy: 0.9122612143295037
Energy: 0.8789284335904601
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Energy: 0.8635844878831559
Energy: 0.8806553551646632
Energy: 0.8339914965031548
Energy: 0.8233336609675854
Energy: 0.8536144106482524
Energy: 0.963567514510458
Energy: 0.8343753092034735
Energy: 0.8376902236078873
Energy: 0.8324947558518345
Energy: 0.8415572468086734
Energy: 0.9558660371928517
Energy: 0.8728403534342687
Energy: 0.8509189005899483
Energy: 0.8511988596084629
Energy: 0.8356602239802665
Energy: 0.8354259568235562
Energy: 0.856030316893532
Energy: 0.8346415743507535
Energy: 0.8352434576648284
Energy: 0.830796023224858
Energy: 0.839368804111329
Energy: 0.8437808732345417
Energy: 0.8484481829398577
Energy: 0.8674928688615823
Energy: 0.9024965852477916
Energy: 0.8309585301008483
Energy: 0.8415898221439522
Energy: 0.8674638545124385
Energy: 0.841089889352225
Energy: 0.8887876166135532
Energy: 0.8345839415550289
Energy: 0.914581972710257
Energy: 0.9420782720198274
Energy: 0.9063298724377551
Energy: 0.8953438830425384
Energy: 1.0283647485347467
Energy: 0.9084554728941325
Energy: 0.8671205209650341
Energy: 0.908354553063357
Energy: 0.8962878754066006
Energy: 0.9211572016189773
Energy: 0.9599994224002933
Energy: 0.8651972890583768
Energy: 0.8421855863602532
Energy: 0.8552289304432406
Energy: 0.8435466486478167
Energy: 0.8718432453639253
Energy: 0.8285872861719361
Energy: 0.841102539550963
Energy: 0.9048796695096554
Energy: 0.8727828299119605
Energy: 0.825871932149258
Energy: 0.88679089381951
Energy: 0.8350909683355201
Energy: 0.8413784971219828
Energy: 0.8433546534609293
Energy: 0.9799275334897215
Energy: 0.9707358454959666
Energy: 0.8311612982930158
Energy: 0.8405261924138282
Energy: 0.8481284068807556
Energy: 0.9485436681859536
Energy: 0.8389293686159849
Energy: 0.8355715041537801
Energy: 0.8635592729836274
Energy: 0.8480959471514143
Energy: 0.8349596262770252
Energy: 0.8495413410710883
Energy: 0.8422086768464211
Energy: 0.850827809220629
Energy: 0.8343614672671016
Energy: 0.8409046050134663
Energy: 0.8784227941062839
Energy: 0.8612895276931929
Energy: 0.8436492206052179
Energy: 0.9309217904524307
Energy: 0.8795980803986267
Energy: 0.9357660182779031
Energy: 0.8657477982769647
Energy: 0.8342177754015333
Energy: 0.831669125595862
Energy: 0.8796909850541458
Energy: 0.9438706165630859
Energy: 0.9131891514961202
Energy: 0.9029085337438357
Energy: 0.9670155729993636
Energy: 0.8811999772642456
Energy: 0.9588577011472615
Energy: 0.9209809636797005
Energy: 0.9030565619680455
Energy: 0.9569139840673347
Energy: 0.9057779219609524
Energy: 0.8509989117350942
Energy: 0.8125323940844305
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minimum gb energy = 0.8083894897522643 eV
minimum distance =  2.4566276051852 Angstroms
sigma value = 105


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

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Energy: 0.8687697227680163
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Energy: 0.908177151870028
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Energy: 0.8660763910623595
Energy: 0.909004853442629
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Energy: 0.8475010780463305
Energy: 0.9525759036743536
Energy: 0.9261592603727663
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Energy: 0.8867156603615486
Energy: 0.8612078320278538
Energy: 0.9533425282750715
Energy: 1.1215259575418244
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Energy: 0.8988172404481888
Energy: 0.8978874018589067
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Energy: 0.9244023631376762
Energy: 0.9035369533999565
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Energy: 0.8936828753690024
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Energy: 0.9490192433687977
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Energy: 0.9060038963815588
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Energy: 0.9062520227541269
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Energy: 0.8623297279216691
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Energy: 0.9169813708106527
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Energy: 0.8598921170908128
Energy: 0.9615227461284025
Energy: 0.8467070565545487
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Energy: 0.9600102189806222
Energy: 0.9394745892934898
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Energy: 0.8600451863247276
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Energy: 0.872496369795478
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Energy: 0.9202667054674761
Energy: 0.8521035116086845
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Energy: 0.9087846794419782
Energy: 0.8705520406253929
Energy: 0.9620349405995199
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Energy: 0.8600928484330219
Energy: 0.9090447895162889
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Energy: 0.9338239220571963
Energy: 0.9711383307981813
Energy: 0.9767803911497561
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Energy: 0.8849238844744379
Energy: 0.8860827171833134
Energy: 0.9599239434395599
Energy: 0.9761154215379965
Energy: 0.9753692823098014
Energy: 0.8762308517593097
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Energy: 0.8711922665021165
Energy: 0.8635374219287627
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Energy: 0.9273945447453319
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Energy: 0.8633659776687145
Energy: 0.9268461091360001
Energy: 0.8875366900664586
Energy: 0.8501020665905983
Energy: 0.869679240412128
Energy: 0.8698785896136814
Energy: 0.8688558019072726
Energy: 0.9297586948722837
Energy: 0.8498906885632095
Energy: 0.8674989092139329
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Energy: 0.8688559066915935
Energy: 0.8707389871662241
Energy: 0.8704647996551484
Energy: 0.8473258881457524
Energy: 0.90063888265336
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Energy: 0.8693340831464028
Energy: 0.8737968363954548
Energy: 0.9052214430226033
Energy: 0.9967705332385411
Energy: 0.8935702938242343
Energy: 0.9482929491544303
Energy: 0.9079371733858841
Energy: 0.8945810683680469
Energy: 0.997382814241034
Energy: 0.930224506640755
Energy: 0.9319619882766815
Energy: 0.9234673570700693
Energy: 0.9003227816411644
Energy: 0.8778224131247606
Energy: 0.9006091300380442
Energy: 0.9044392248640372
Energy: 0.8500025739268509
Energy: 0.947243768934447
Energy: 0.8748497483702264
Energy: 0.9353097773189635
Energy: 0.963933577537841
Energy: 0.856635346575192
Energy: 0.900885328387684
Energy: 0.9191402984081805
Energy: 0.9002016800388637
Energy: 0.9017577455453755
Energy: 0.8483843906083529
Energy: 0.9437691892842588
Energy: 0.8417970111968825
Energy: 0.9005275499865021
Energy: 0.9242542390219124
Energy: 0.8476533597049489
Energy: 0.9125116199005072
Energy: 0.9397126016991202
Energy: 0.8974605497867287
Energy: 0.9047604136883711
Energy: 0.8822943487397742
Energy: 0.9449941481043974
Energy: 0.935348175725598
Energy: 0.8963702065476822
Energy: 0.9048904757151841
Energy: 0.8888832923605074
Energy: 0.9410634461562168
Energy: 0.9754681798468714
Energy: 0.9124350931686728
Energy: 0.8837675266811097
Energy: 0.9027722545805863
Energy: 0.9002377926413825
Energy: 0.9450190817771145
Energy: 0.9092954289243506
Energy: 0.8755182095932408
Energy: 0.903661886484178
Energy: 0.9565721404944572
Energy: 0.9110423833343763
Energy: 0.9037480940228699
Energy: 0.9054388170927884
Energy: 0.9044795297629167
Energy: 0.9250743801288083
Energy: 0.9054187155862682
Energy: 0.8989505007927336
Energy: 0.8842531516661564
Energy: 0.9057746032095454
Energy: 0.8713867809188859
Energy: 0.9058734189759448
Energy: 0.8578847448057964
Energy: 0.9258393960969918
Energy: 0.9171525211281922
Energy: 0.8400696687571657
Energy: 0.9043518924360981
Energy: 0.8391366031092746
Energy: 0.9232071632675118
Energy: 0.9102127089453315
Energy: 0.8986082016581952
Energy: 0.8813593398893521
Energy: 0.8521490812524191
Energy: 0.905409666807744
Energy: 0.9150062080875837
Energy: 0.8445165792053853
Energy: 0.9345861015552205
Energy: 0.8490833515791595
Energy: 0.9083668850439822
Energy: 0.8984308518245573
Energy: 0.8942529829845901
Energy: 0.9605445824589375
Energy: 0.9446117256305023
Energy: 0.9462441712969493
Energy: 0.9017470672212655
Energy: 0.9485257372533743
Energy: 0.908507170637873
Energy: 0.9456859803843375
Energy: 0.9454648884596101
Energy: 0.9028262140060834
Energy: 0.9420494710038326
Energy: 0.9245244131887317
Energy: 0.9519691190148034
Energy: 0.8477253892264439
Energy: 0.8446001223215074
Energy: 0.9421254822706171
Energy: 0.854412101892025
Energy: 0.9171253769054882
Energy: 0.8375586243952078
Energy: 0.8442107728703899
Energy: 0.9541489921607612
Energy: 0.9180740715325075
Energy: 0.8370350999261819
Energy: 0.8369966409902919
Energy: 0.8366944372532489
Energy: 0.8696533610249407
Energy: 0.8336047742425301
Energy: 0.8372661868279889
Energy: 0.8472931182981175
Energy: 0.8367255271913064
Energy: 0.9088180195219304

minimum gb energy = 0.8336047742425301 eV
minimum distance =  2.4621236852955 Angstroms
sigma value = 165


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

Energy: 1.1476241688386597
Energy: 0.8149156061238676
Energy: 0.8253137026154946
Energy: 0.8738753229395263
Energy: 0.8149696290362796
Energy: 1.1469540246928507
Energy: 0.8246686631142031
Energy: 0.8245847844730746
Energy: 0.8736491304843628
Energy: 0.815382871183425
Energy: 0.814133767165946
Energy: 0.8692265934243739
Energy: 0.8729898082974261
Energy: 0.8707724685696531
Energy: 0.9218107193246197
Energy: 0.8685488158697243
Energy: 0.8686870773539693
Energy: 0.8727622723102054
Energy: 0.8718448239994345
Energy: 0.9207206376576622
Energy: 0.8743079067947875
Energy: 0.921456689989233
Energy: 0.8246907669046694
Energy: 0.8238186044571492
Energy: 0.915506016830587
Energy: 0.8735086822899365
Energy: 0.8264304565479377
Energy: 0.875318340421603
Energy: 0.8264781709892931
Energy: 0.9176451329034466
Energy: 0.9547214032589114
Energy: 0.8731822708803995
Energy: 0.8700073976847904
Energy: 0.8239358322619096
Energy: 0.8133461151035288
Energy: 0.8843059777714085
Energy: 0.8763147075720692
Energy: 0.874880308129905
Energy: 0.8239549902251317
Energy: 0.9170236953758599
Energy: 0.8670289342047852
Energy: 0.8935090220872526
Energy: 0.8696055364849125
Energy: 0.8668059416801146
Energy: 0.8697520287954137
Energy: 0.876178235752709
Energy: 0.8199129286156431
Energy: 0.8690489006917265
Energy: 0.8679932439621952
Energy: 0.8708115749291898
Energy: 0.8727631475331386
Energy: 0.8720070501206303
Energy: 0.8965598102022581
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Energy: 0.8279922153524502
Energy: 0.8731011756619618
Energy: 0.8718372027342379
Energy: 0.8255302414334676
Energy: 0.817155644263479
Energy: 0.8284072069856532
Energy: 0.8696115611502996
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Energy: 0.8742020827421794
Energy: 0.9213922947805894
Energy: 0.8249758924625815
Energy: 0.868518222270923
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Energy: 0.8256797529765486
Energy: 0.9194481107160369
Energy: 0.8669308819583704
Energy: 0.8675991505108773
Energy: 0.8675615402933404
Energy: 0.8668782790928884
Energy: 0.8182974027854416
Energy: 0.8669800662902268
Energy: 0.8668367428249031
Energy: 0.8676520754573365
Energy: 0.8157389787654048
Energy: 0.8188788376117142
Energy: 0.8678229246812159
Energy: 0.8242585225618418
Energy: 0.8683989654480768
Energy: 0.9200943575323302
Energy: 0.8195216974773945
Energy: 0.8277236998062008
Energy: 0.8243630527538143
Energy: 0.8667604909980151
Energy: 0.9062967322403371
Energy: 0.922763807572094
Energy: 0.8753177050424508
Energy: 0.8782286626393567
Energy: 0.8749219963032676
Energy: 0.8674065662120869
Energy: 0.9219212710021902
Energy: 0.8739156469964785
Energy: 0.8756438119574675
Energy: 0.8755393356516247
Energy: 0.8681090033323852
Energy: 0.9081176770585287
Energy: 0.8750370422322407
Energy: 0.8761527958061853
Energy: 0.8747555167961074
Energy: 0.9113033709528651
Energy: 0.8765077555405086
Energy: 0.8751809815734515
Energy: 0.8747691478842788
Energy: 0.9445452159639621
Energy: 1.1481457002511928
Energy: 0.8778462373552082
Energy: 0.8714018366459955
Energy: 0.8776366230129694
Energy: 0.8735502607551922
Energy: 0.8192014666702556
Energy: 0.8771532443954648
Energy: 0.8688242349435165
Energy: 0.8771066532376995
Energy: 0.8738354484805045
Energy: 0.8783886957576308
Energy: 0.9406739138972865
Energy: 0.8785288016616474
Energy: 0.827818048691769
Energy: 0.8687796154104538
Energy: 0.8232263876019694
Energy: 0.8919271660112471
Energy: 0.8712957442850334
Energy: 0.8272064469303987
Energy: 0.8686977088410387
Energy: 0.8236549173325425
Energy: 0.921100974407952
Energy: 0.8707592086468645
Energy: 0.8663625373785065
Energy: 0.8133457872485443
Energy: 0.8670066247934385
Energy: 0.9411321907795345
Energy: 0.870913449802729
Energy: 0.8263169037740459
Energy: 0.815330071290251
Energy: 0.8676620220254594
Energy: 0.8142000828234338
Energy: 0.8685550461343259
Energy: 0.8745828619107545
Energy: 0.8254999872832829
Energy: 0.8688584543002172
Energy: 0.8160736817851784
Energy: 0.868513183262808
Energy: 0.8748603316808115
Energy: 0.8256406752357177
Energy: 0.8671703032166298

minimum gb energy = 0.8133457872485443 eV
minimum distance =  2.47530803292824 Angstroms
sigma value = 41


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

Energy: 0.7960472750047357
Energy: 0.7681444056209578
Energy: 0.7669297162669877
Energy: 0.7514709918600548
Energy: 0.7347355391898872
Energy: 0.744647621090804
Energy: 0.7346650656456593
Energy: 0.7716402878032629
Energy: 0.7674744433109797
Energy: 0.7483507036859974
Energy: 0.836877088271696
Energy: 0.8312713423460144
Energy: 0.7644187845325421
Energy: 0.7634141589380061
Energy: 0.7453904508075391
Energy: 0.7543584807742577
Energy: 0.7323214178910511
Energy: 0.7811553032513632
Energy: 0.781802731102086
Energy: 0.8135268639989925
Energy: 0.7644474996899792
Energy: 0.8339660233316026
Energy: 0.8592316885376924
Energy: 0.7804016179256804
Energy: 0.7993484705605464
Energy: 0.7864096872034091
Energy: 0.7665887590536102
Energy: 0.8698257142706942
Energy: 0.8614386818083901
Energy: 0.7999047733397965
Energy: 0.8235514388912364
Energy: 0.7474711044580494
Energy: 0.8313140986638538
Energy: 0.8065635879079217
Energy: 0.8874267107082915
Energy: 0.8208686544409595
Energy: 0.7462167151102967
Energy: 0.7708355053897
Energy: 0.8209716515686601
Energy: 0.8882000140051707
Energy: 0.8454064371001148
Energy: 0.8276803799952064
Energy: 0.8320736158580074
Energy: 0.7941579236463925
Energy: 0.7946200549244248
Energy: 0.764059621084278
Energy: 0.7653379608160777
Energy: 0.8329999158189824
Energy: 0.8335254324565832
Energy: 0.771961108906216
Energy: 0.8526926887648758
Energy: 0.7444890257697323
Energy: 0.7805011919306429
Energy: 0.772230449550993
Energy: 0.8291902889120614
Energy: 0.8454523766093426
Energy: 0.7508985624144309
Energy: 0.8421335187736234
Energy: 0.7739150913512394
Energy: 0.7744448980777043
Energy: 0.7689834822060212
Energy: 0.8448036906140566
Energy: 0.8245616295513819
Energy: 0.7970724651427292
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Energy: 0.7796995757373821
Energy: 0.7686570815048979
Energy: 0.7977102618574073
Energy: 0.8355316470660805
Energy: 0.7729553088655408
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Energy: 0.7998960935511689
Energy: 0.765184957205756
Energy: 0.8715099688049295
Energy: 0.7470798674889789
Energy: 0.7492174483905965
Energy: 0.7963792775263686
Energy: 0.8319368122280162
Energy: 0.7863633134897786
Energy: 0.8110090205267865
Energy: 0.7554344893062522
Energy: 0.7965848462803556
Energy: 0.747196400772162
Energy: 0.7721581581810169
Energy: 0.8071503870020277
Energy: 0.7538649855400831
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Energy: 0.8093235232216361
Energy: 0.7698967619408288
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Energy: 0.7979120410070332
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Energy: 0.8424100383389705
Energy: 0.7335877381465729
Energy: 0.7381073052470958
Energy: 0.7467063076495585
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Energy: 0.7531069482252367
Energy: 0.7981279787228117
Energy: 0.8201243238224193
Energy: 0.7672805345332926
Energy: 0.7998349960939902
Energy: 0.7845944646522371
Energy: 0.7352990795149181
Energy: 0.7675004588668259
Energy: 0.7459174904796572
Energy: 0.8710783341594633
Energy: 0.7467378090411189
Energy: 0.7996504371249143
Energy: 0.8263160254601944
Energy: 0.7293153931519828
Energy: 0.8296046517815068
Energy: 0.7636756941008842
Energy: 0.7622403674617462
Energy: 0.7293025408266044
Energy: 0.7654766157287219
Energy: 0.8288019074809068
Energy: 0.7453762115729687
Energy: 0.7664295232655117
Energy: 0.7320624789322595
Energy: 0.82064786827252
Energy: 0.744898476040682
Energy: 0.8029546478856914
Energy: 0.7892812637949611
Energy: 0.7317548549258919
Energy: 0.8088395534164757
Energy: 0.74962086050245
Energy: 0.7356622967506679
Energy: 0.779578275301179
Energy: 0.7341192772563131
Energy: 0.8040648920965626
Energy: 0.8408821893435013
Energy: 0.771098580865173
Energy: 0.7634850740206367
Energy: 0.7336054134387995
Energy: 0.7860192192809925
Energy: 0.749955368226841
Energy: 0.7335402170195169
Energy: 0.7802251811227467
Energy: 0.7486193386818782
Energy: 0.8515384758433983
Energy: 0.8273943024552133
Energy: 0.7327017912422985
Energy: 0.7640487898626264
Energy: 0.7450480322441696
Energy: 0.7882539431107979
Energy: 0.7736635462014753
Energy: 0.8432145112075876
Energy: 0.7871437347501156
Energy: 0.8006000006382719
Energy: 0.8069315191015816
Energy: 0.8355269763643791
Energy: 0.9373482713822227
Energy: 0.8209370310452608
Energy: 0.7986719452426608
Energy: 0.8066757641610413
Energy: 0.7880218138778555
Energy: 0.7697776423575305
Energy: 0.766034886025187
Energy: 0.8000030611549684
Energy: 0.8017282760500157
Energy: 0.7857640620209275
Energy: 0.831087512012595
Energy: 0.827459821299051
Energy: 0.7992055890631747
Energy: 0.8054999020411859
Energy: 0.8601711598673774
Energy: 0.830392961786912
Energy: 0.8354604740330374
Energy: 0.9104683664280113
Energy: 0.8433930336981933
Energy: 0.7981872570110538
Energy: 0.8317534448093606
Energy: 0.8342968789004191
Energy: 0.8390833339215816
Energy: 0.7999916577650245
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Energy: 0.7931435189528618
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Energy: 0.7650849989393588
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Energy: 0.8210861382234613
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Energy: 0.8438401015350175
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Energy: 0.8653050167056596
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Energy: 0.822867539871513
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Energy: 0.8347720965749982
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Energy: 0.8201172561357803
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Energy: 0.8220927580721811
Energy: 0.819168151256836
Energy: 0.8326805017961157
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Energy: 0.8245531589098812
Energy: 0.8312641226945353
Energy: 0.805885713461426
Energy: 0.7729832283441448
Energy: 0.8240109269602325
Energy: 0.790113074869555
Energy: 0.8343290822119841
Energy: 0.8115157339889508
Energy: 0.788133401306291
Energy: 0.8193572001452583
Energy: 0.8251247948043756
Energy: 0.7291046375685276
Energy: 0.7320140670024257
Energy: 0.793306243128144
Energy: 0.7460295643778686
Energy: 0.8732762145235422
Energy: 0.7661684632247808
Energy: 0.7990907189832168
Energy: 0.748801239957656
Energy: 0.7509467445214928
Energy: 0.7774418168532822
Energy: 0.7767400022182546
Energy: 0.7372902827908056
Energy: 0.7664650849874401
Energy: 0.7514167634915221
Energy: 0.7805569375548241
Energy: 0.7991592344974069
Energy: 0.7993176917691189
Energy: 0.7716319932254521
Energy: 0.8385788807566062
Energy: 0.8367318492696287
Energy: 0.7641839923962958
Energy: 0.7662785549157267
Energy: 0.7338752304657246
Energy: 0.7702533001678575
Energy: 0.8032820224997557
Energy: 0.7899265282949861
Energy: 0.735888070714754
Energy: 0.8014974491468485
Energy: 0.8068419892082095
Energy: 0.7443130281007495
Energy: 0.8069337747589321
Energy: 0.8033322585683432
Energy: 0.7319236078114055
Energy: 0.8554137699503428
Energy: 0.7453247453305799
Energy: 0.7680657859488078
Energy: 0.7632572714486988
Energy: 0.8097545272542807

minimum gb energy = 0.7291046375685276 eV
minimum distance =  2.52416889042375 Angstroms
sigma value = 185


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

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Energy: 0.6852961457826415
Energy: 0.4043120117388462
Energy: 0.38417577296108907
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Energy: 0.38805786007466025
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Energy: 0.40104502091719985
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Energy: 0.7040638030687055
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Energy: 0.3926121903646637
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Energy: 0.585428651077545
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Energy: 0.5790390265933356
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Energy: 0.556662112809997
Energy: 0.3897091913358685
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Energy: 0.6094305679638908
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Energy: 0.38681862395029365
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Energy: 0.48275080990901215
Energy: 0.5246747887540414
Energy: 0.39109484550665574
Energy: 0.39201359542946257
Energy: 0.37685961118685446
Energy: 0.40143171549109236
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Energy: 0.383573554389034
Energy: 0.3941566502125805
Energy: 0.3985262566608863
Energy: 0.5941446805336346
Energy: 0.4834035469502509
Energy: 0.4824191460476095
Energy: 0.38305480482880455
Energy: 0.3990218794824353
Energy: 0.5491293393911165
Energy: 0.3779828580622752
Energy: 0.38491783862287615
Energy: 0.39081295100507757
Energy: 0.5557485891091932
Energy: 0.5776702434608536
Energy: 0.39488796790873815
Energy: 0.41382726092496264
Energy: 0.49517759603425765
Energy: 0.5442199492704575
Energy: 0.5434264594344943
Energy: 0.3958621952300089
Energy: 0.4172619294741788
Energy: 0.4050263256163051
Energy: 0.48608320689466344
Energy: 0.3823485857553067
Energy: 0.4053458444558285
Energy: 0.3875437531619866
Energy: 0.37835531783893994
Energy: 0.3840379464195976
Energy: 0.38332623641014263
Energy: 0.4064724359341468
Energy: 0.3835793051806524
Energy: 0.37809995762536824
Energy: 0.7354613219184067
Energy: 0.3799354877130106
Energy: 0.38436760378037044
Energy: 0.37831576094279673
Energy: 0.39730718890004535
Energy: 0.47686988519876494
Energy: 0.3787086360134068
Energy: 0.3847231916316433
Energy: 0.38656749875324153
Energy: 0.6520073861308595

minimum gb energy = 0.3767577393065424 eV
minimum distance =  2.51721023842567 Angstroms
sigma value = 33


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

Energy: 0.7622420507150859
Energy: 0.7009696245634299
Energy: 0.7132850492347953
Energy: 0.7119880235782163
Energy: 0.6859049220149184
Energy: 0.6840477319747209
Energy: 0.6911550662857824
Energy: 0.7184891557247003
Energy: 0.706034961077113
Energy: 0.6975020712675262
Energy: 0.6990041866415208
Energy: 0.7244506599140994
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Energy: 0.7130969860337615
Energy: 0.6889795041012204
Energy: 0.6995613768693122
Energy: 0.733648625767659
Energy: 0.6940396454861575
Energy: 0.7075170518920727
Energy: 0.6911040576830929
Energy: 0.6968508863281162
Energy: 0.6960492141477987
Energy: 0.7227523825643799
Energy: 0.6982138585027484
Energy: 0.6917123372826854
Energy: 0.6835548498979431
Energy: 0.6944326713457468
Energy: 0.7239027818582836
Energy: 0.6960551250886151
Energy: 0.7434236737431555
Energy: 0.722925291146753
Energy: 0.7040032474886989
Energy: 0.6959317060308715
Energy: 0.7119669739017672
Energy: 0.7307835109577834
Energy: 0.7217386912583765
Energy: 0.6968245180237955
Energy: 0.704058508885643
Energy: 0.7121134081827925
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Energy: 0.6952429055400726
Energy: 0.7230002729129524
Energy: 0.711606724734601
Energy: 0.68470558389164
Energy: 0.7193554432330087
Energy: 0.738812464005865
Energy: 0.7210150236674966
Energy: 0.7120306817535677
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Energy: 0.7305732256742249
Energy: 0.7115895202159055
Energy: 0.7661693562328418
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Energy: 0.7228921709721196
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Energy: 0.7166341981873292
Energy: 0.7128008506967557
Energy: 0.6997837288639102
Energy: 0.7164323511330227
Energy: 0.709496306162979
Energy: 0.7138108931312502
Energy: 0.7124982940060963
Energy: 0.7044556303793782
Energy: 0.7635350274207336
Energy: 0.7099780938119742
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Energy: 0.69814487901904
Energy: 0.7121511304304114
Energy: 0.7148476429399252
Energy: 0.7104310203495416
Energy: 0.7276707162789405
Energy: 0.7116267044352818
Energy: 0.7124559701058901
Energy: 0.7232799850910103
Energy: 0.7095817765669111
Energy: 0.7289293421907046
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Energy: 0.77772883444572
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Energy: 0.6868531409809642
Energy: 0.689365781206513
Energy: 0.7211042579753167
Energy: 0.7354029678893427
Energy: 0.7102749644369604

minimum gb energy = 0.6757150255651764 eV
minimum distance =  2.49113139780262 Angstroms
sigma value = 219


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

Energy: 1.384579674148544
Energy: 0.9165704366009653
Energy: 0.8930142582014717
Energy: 0.924893422059541
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Energy: 0.9346858261564305
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Energy: 0.9347073259550329
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Energy: 0.9250977656866332
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Energy: 0.908488971632965
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Energy: 0.9352482337627697
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Energy: 0.929750257063731
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Energy: 0.9258441837298719
Energy: 0.9254475705769871
Energy: 0.9161325804685932
Energy: 0.9233937546682349
Energy: 0.9345627575603995
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Energy: 0.9254071794718755
Energy: 0.9348890768683122
Energy: 0.924089580068408
Energy: 0.9034294118077956
Energy: 0.9264453494112701
Energy: 0.9258482063883811
Energy: 0.9358455717230543
Energy: 0.9251818939795099
Energy: 0.893414737079753
Energy: 0.9253199102253068
Energy: 0.9276282279138414
Energy: 0.9173223672670432
Energy: 0.9354951706357235
Energy: 0.8971539863388075
Energy: 0.8960545636803554
Energy: 0.92262753849783
Energy: 0.9187312229887784
Energy: 0.935746806581301
Energy: 0.896171556266655
Energy: 0.8963526721176329
Energy: 0.9224617622478228

minimum gb energy = 0.8678408820303678 eV
minimum distance =  2.52412003786338 Angstroms
sigma value = 15


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

Energy: 1.014245524441347
Energy: 1.0363064650796898
Energy: 1.0477361777245333
Energy: 1.0319820522311278
Energy: 1.0660121600518224
Energy: 1.0148380702772266
Energy: 1.0307699398327044
Energy: 1.0459703334161485
Energy: 1.0663571325041843
Energy: 1.0321218203487244
Energy: 1.0410617047415438
Energy: 1.0362411978647657
Energy: 1.0263773760900028
Energy: 1.0288964144054495
Energy: 1.0397881951171704
Energy: 1.0249276669864082
Energy: 1.0260462176571081
Energy: 1.03400218350783
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minimum gb energy = 0.9976478710490626 eV
minimum distance =  2.47662185461264 Angstroms
sigma value = 293


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

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Energy: 1.0429697863954712
Energy: 1.0561105054092423
Energy: 1.0368089936239855
Energy: 1.0547009102510785
Energy: 1.042200047738038
Energy: 1.0432865944092666
Energy: 1.054923218514794
Energy: 1.0352241096745662
Energy: 1.0555373889777144
Energy: 1.0264841864648164
Energy: 1.0370466008052495
Energy: 1.091455490847928
Energy: 1.0163896959051142
Energy: 1.0535194728727073
Energy: 1.0203377750283846
Energy: 1.041353854999044
Energy: 1.0660673193000931
Energy: 1.018925324503493
Energy: 1.1918232616115603
Energy: 1.0616418653899082
Energy: 1.0597064408305008
Energy: 1.0138364695234818
Energy: 1.0205338802108013
Energy: 1.0565073221982781
Energy: 1.0260307812910703
Energy: 1.061958663128037
Energy: 1.018919700944278
Energy: 1.0289204068989255
Energy: 1.0556533742572838
Energy: 0.9899476129984143
Energy: 1.0302992503575072
Energy: 1.0117489097634516
Energy: 1.0177254719447497
Energy: 1.032508284333502
Energy: 0.983898135511702
Energy: 1.0302891589992025
Energy: 1.011798953332162
Energy: 1.019196108266114
Energy: 1.034753602189505
Energy: 1.0276240156893743
Energy: 1.0107006799054716
Energy: 1.0137568856327792
Energy: 1.0177106270209062
Energy: 1.0179520062548153
Energy: 1.0289486328369593
Energy: 1.0106579653483299
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Energy: 1.0186940028040437
Energy: 1.016995616729242
Energy: 1.0282936211669556
Energy: 1.013433691654842
Energy: 1.0129114936460966
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Energy: 1.0287412358092236
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Energy: 1.0130382841705485
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Energy: 1.0132242572649828
Energy: 1.0188666969116122
Energy: 0.987482410881682
Energy: 0.9869301416321036
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Energy: 1.0472622770689135
Energy: 1.0222427366384021
Energy: 0.9868758460879602
Energy: 0.9876483464549852
Energy: 1.0408397514892043
Energy: 1.0523051639605616
Energy: 1.0422196186441515
Energy: 0.9879614822612791
Energy: 1.0308313677031813
Energy: 1.0160828626556055
Energy: 1.0149501971937838
Energy: 1.0425193308577185
Energy: 0.988406533044477
Energy: 1.0715082414903192
Energy: 1.016909686086395
Energy: 1.0168156838481328
Energy: 1.011403239266248
Energy: 1.022886792447492
Energy: 1.0522345742971986
Energy: 1.0169041108297323
Energy: 1.0118675590264392
Energy: 1.0121456886830706
Energy: 1.0130702807474157
Energy: 1.0175955657710725
Energy: 1.014556947710608
Energy: 1.0167402702603716
Energy: 1.0097277660951374
Energy: 1.0073741701407988
Energy: 1.0300099509587881
Energy: 1.0146741033363722
Energy: 1.0361858842609872
Energy: 1.0096321074919608
Energy: 1.0082012644941245
Energy: 1.0318325887129363
Energy: 1.0128859452036922
Energy: 1.0370566820026348
Energy: 1.0166182244236026
Energy: 1.033090994785663
Energy: 1.0582281920278485
Energy: 1.0407188616361787
Energy: 1.038623185161798
Energy: 1.0138988126474557
Energy: 1.0564748075860542
Energy: 1.0589193115058697
Energy: 1.0414451983687116
Energy: 1.016404964143842
Energy: 1.0386442507622384
Energy: 1.0603547371173596
Energy: 1.0550477938140848
Energy: 1.0396054002328154
Energy: 1.0547620122873616
Energy: 1.0404477134257855
Energy: 1.0570238589002063
Energy: 1.0561328536682788
Energy: 1.0391209243783448
Energy: 1.1085927919344092
Energy: 1.0181646856333082
Energy: 1.0252183674558093
Energy: 1.0716264793575938
Energy: 1.0304344937610543
Energy: 1.0287250557390575
Energy: 1.0169542311808002
Energy: 1.074429537003181
Energy: 1.0249332904713953
Energy: 1.0357208534920683
Energy: 1.0256870665222109
Energy: 1.0115091365780722
Energy: 1.0346430058903315
Energy: 0.984082945569215
Energy: 0.9970049456452664
Energy: 1.0179083910702016
Energy: 1.012211481603609
Energy: 1.03179140551505
Energy: 0.9832802716672951
Energy: 0.9871690582664148
Energy: 1.0178057248139682
Energy: 1.0167584802113063
Energy: 1.0221563709356456
Energy: 1.0213949134719145
Energy: 1.04245914583611
Energy: 1.0143565142579773
Energy: 1.0162862924200733
Energy: 1.022440524576465
Energy: 1.0428302067687403
Energy: 1.0128164571436535
Energy: 1.0161630557885721
Energy: 1.0496503400928119
Energy: 1.0162386906543708
Energy: 1.0106478360178524
Energy: 1.054562841195351
Energy: 1.018348136983138
Energy: 1.0516772128484466
Energy: 1.0132883991579766
Energy: 1.009701771783603
Energy: 1.0424077762923516
Energy: 1.0172303705100836
Energy: 0.9892284030454138
Energy: 1.0127904572950335
Energy: 1.03468105277728
Energy: 1.0151906046507575
Energy: 0.9881319536049573
Energy: 1.0286253356239137
Energy: 1.0181702305012739
Energy: 1.0560006850694923
Energy: 1.020771523792917
Energy: 0.9939918143047964
Energy: 1.0660733644591789
Energy: 1.0108102604972218
Energy: 1.0108190190747421
Energy: 1.056064470707541
Energy: 0.9904203074056381
Energy: 1.0656489690200006
Energy: 1.0105188195380703
Energy: 1.011487950065468
Energy: 1.0297683719288175
Energy: 0.9890939261377081
Energy: 1.0178081915290582
Energy: 1.0148400039196581
Energy: 1.0132917306155722
Energy: 1.0598749262215956
Energy: 1.0145501157008872
Energy: 1.0222971809429282
Energy: 1.0172276293609568
Energy: 1.0123429428085604
Energy: 1.0346105007292223
Energy: 1.0171222465214915
Energy: 1.0371830947992582
Energy: 1.0398829871753936
Energy: 1.0313529046679575
Energy: 1.0079957400832567
Energy: 1.009820105355039
Energy: 1.0108337495334245
Energy: 1.0406955204771233
Energy: 1.0299485751470534
Energy: 1.0071833781046526
Energy: 1.0098010622578801
Energy: 1.025589363585049
Energy: 1.041572851062594
Energy: 1.074450078355481
Energy: 1.0179210439342674
Energy: 1.0535497838371213
Energy: 1.0390333020877025
Energy: 1.0417720409198916
Energy: 1.076362197676851
Energy: 1.0474028160129063
Energy: 1.0546331804979534
Energy: 1.0265223346113956
Energy: 1.0420092956474774
Energy: 1.0998585490445625
Energy: 1.0165130280131092
Energy: 1.0538191224986155
Energy: 1.0218372766448596
Energy: 1.0116487176634816
Energy: 1.090716029651323
Energy: 1.018415598675616
Energy: 1.0536105694023663
Energy: 0.9868388961283703
Energy: 1.0577043498647933
Energy: 1.0144433354099405
Energy: 1.0166219465859363
Energy: 1.0573790684061173
Energy: 1.0269995165403218
Energy: 1.05741852883571
Energy: 1.0134436030875584
Energy: 1.016924322183537
Energy: 1.0438145900061224

minimum gb energy = 0.9832802716672951 eV
minimum distance =  2.47162398117446 Angstroms
sigma value = 293


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

Energy: 0.9833883938091413
Energy: 1.0212094452118612
Energy: 1.0989019101767288
Energy: 1.0173820655516463
Energy: 0.988003855258918
Energy: 0.9842838993334863
Energy: 1.0192071279265593
Energy: 1.089044844133124
Energy: 1.0184137622578804
Energy: 0.9873168385607752
Energy: 0.9869780445871132
Energy: 1.0097725656538137
Energy: 1.0085792882388038
Energy: 1.014749254012616
Energy: 1.018294946318918
Energy: 1.0594836215741321
Energy: 1.0133042253070965
Energy: 0.99142589463359
Energy: 1.0151548619251378
Energy: 1.02024560180257
Energy: 1.0167970192868054
Energy: 1.0153187345933137
Energy: 1.015268762365682
Energy: 1.017404934861249
Energy: 1.0582890737330504
Energy: 1.0167148864273945
Energy: 1.0143843197827078
Energy: 1.0136035133202839
Energy: 1.0905148404405625
Energy: 1.0595720814864893
Energy: 1.093598971006295
Energy: 0.9865834736803784
Energy: 0.991126123242132
Energy: 1.0247882897200984
Energy: 1.0719276292039086
Energy: 1.0976961869725412
Energy: 0.9858302040623024
Energy: 0.9942589532565534
Energy: 1.0177738174847728
Energy: 0.9895100230248236
Energy: 1.0165131097951061
Energy: 0.99099051338891
Energy: 0.986007574580673
Energy: 1.057989110599784
Energy: 1.0154822956813825
Energy: 1.0156273050682563
Energy: 0.9903177592386414
Energy: 0.9868351896320011
Energy: 1.0051924370300476
Energy: 1.0136121881449829
Energy: 1.0142390197043025
Energy: 1.0890528974787135
Energy: 1.0187579140405585
Energy: 1.0143638164218582
Energy: 0.9878535271151486
Energy: 1.0158844731560124
Energy: 1.0898993400041717
Energy: 1.0188213850774883
Energy: 1.0148900752642966
Energy: 1.0213932993261439
Energy: 1.01669698219963
Energy: 0.9890330042573384
Energy: 1.0186791550436374
Energy: 1.0051478149546076
Energy: 1.0091089736252035
Energy: 1.0154500579600816
Energy: 0.9881552912826961
Energy: 1.02218249313396
Energy: 1.0054994050549106
Energy: 1.0050246310463447
Energy: 1.0213584052313345
Energy: 1.0547219607456297
Energy: 1.0180767726072946
Energy: 0.9856016033257766
Energy: 1.0243950544716336
Energy: 1.0213386755386689
Energy: 1.0541490086739709
Energy: 1.0175317028743516
Energy: 0.9852647874605605
Energy: 1.0281481176594636
Energy: 1.0074224672995824
Energy: 0.9903860976578582
Energy: 1.0181746619308985
Energy: 0.988971518102033
Energy: 1.067857364675593
Energy: 1.004836772069576
Energy: 1.0145163070593475
Energy: 1.0213682414323388
Energy: 0.987646424755655
Energy: 1.0698246987923286
Energy: 1.0149954397045249
Energy: 1.0164998011263118
Energy: 1.054968590814173
Energy: 1.061275906998046
Energy: 1.018369823693113
Energy: 1.01573017406409
Energy: 1.0174781134245037
Energy: 1.056663020695446
Energy: 1.030232257365306
Energy: 1.0154128597870111
Energy: 0.9874198736126032
Energy: 1.023098531793376
Energy: 1.0111447822243762
Energy: 1.0114402103926206
Energy: 1.0635840282954665
Energy: 0.987928271088434
Energy: 1.025703099973114
Energy: 0.9889142367611696
Energy: 1.0157306015309033
Energy: 1.0608010596810074
Energy: 0.9836157638462814
Energy: 1.0184896871897207
Energy: 1.0874983905859814
Energy: 1.0177424386939724
Energy: 0.9881377353224831
Energy: 0.9845707995807751
Energy: 1.01935002220717
Energy: 1.097308400608767
Energy: 1.0181337728441078
Energy: 0.987820933158347
Energy: 1.0664981314886577
Energy: 1.0091814318129089
Energy: 1.0099067095241627
Energy: 1.0145785943480339
Energy: 1.0179371711122867
Energy: 1.0607260509375651
Energy: 1.013016051588035
Energy: 0.9909695974290361
Energy: 1.0148595310800161
Energy: 1.0285797621033725
Energy: 1.0166199036433217
Energy: 1.0152428454098719
Energy: 1.0157994373953119
Energy: 1.0981911426815767
Energy: 1.058244302232534
Energy: 1.016491037197895
Energy: 1.0148763584343674
Energy: 1.013599259178757
Energy: 1.0886869782127517
Energy: 1.0593103283366885
Energy: 1.089682597277836
Energy: 0.9866352752573336
Energy: 0.9909004580145807
Energy: 1.0260090622726323
Energy: 1.0637443261394284
Energy: 1.095395809455833
Energy: 0.9862840730655839
Energy: 0.9862107358159308
Energy: 1.0221388260410533
Energy: 1.0587991426718484
Energy: 1.016392590403688
Energy: 0.9920153008164299
Energy: 0.9858526003497268
Energy: 1.0083279504870821
Energy: 1.0159877253573846
Energy: 1.0158605587292933
Energy: 0.9905969193967079
Energy: 0.9864694665946793
Energy: 1.0053148314409377
Energy: 1.0146084632133823
Energy: 1.0120584904770848
Energy: 1.0888573647942656
Energy: 1.0188128637212777
Energy: 1.0143901261052406
Energy: 0.9875177189530111
Energy: 1.015043955814557
Energy: 1.0906597266085583
Energy: 1.0184750912335443
Energy: 1.0146389889598426
Energy: 1.018237761119969
Energy: 1.0165478447282708
Energy: 0.9891310561032163
Energy: 1.0194049134417158
Energy: 1.005075119940023
Energy: 1.0584327483472011
Energy: 1.0154235523265687
Energy: 0.9883147005544811
Energy: 1.022905258831475
Energy: 1.00481050242971
Energy: 1.004081624135446
Energy: 1.0238509434360719
Energy: 1.0549543906833332
Energy: 1.0179054372892602
Energy: 0.9856755727507132
Energy: 1.0238421923463286
Energy: 1.0245280932148837
Energy: 1.0538818830604273
Energy: 1.0176070478717592
Energy: 0.985153159964842
Energy: 1.0280088739784048
Energy: 1.0103017009538096
Energy: 0.9904416754854474
Energy: 1.0155914882422268
Energy: 0.9891961880360762
Energy: 1.0624650916524592
Energy: 1.0056166267198183
Energy: 1.0156198705064197
Energy: 1.0160959683224626
Energy: 0.9878635583983537
Energy: 1.0065530094319364
Energy: 1.0149336659943828
Energy: 1.0162312066695929
Energy: 1.0540022247824479
Energy: 1.0934531809963206
Energy: 1.0170039224662548
Energy: 1.0158039641646108
Energy: 1.0172530649939298
Energy: 1.0571810347340913
Energy: 1.023978297809887
Energy: 1.0160794770031654
Energy: 0.9870870582926522
Energy: 1.0218021541589264
Energy: 1.0114186395514353
Energy: 1.0091630679323935
Energy: 1.0660455533360442
Energy: 0.9877626069722387
Energy: 1.0246419449202744
Energy: 0.9887449901632193
Energy: 1.01512701470995
Energy: 1.0618699780616814

minimum gb energy = 0.9833883938091413 eV
minimum distance =  2.47642611492927 Angstroms
sigma value = 15


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

Energy: 0.9718518856167219
Energy: 1.061905488257435
Energy: 1.0610841770314874
Energy: 1.0005934752327985
Energy: 1.0748527869373619
Energy: 0.992715570446471
Energy: 1.0686635404741371
Energy: 1.0589043233536695
Energy: 0.9885484767194148
Energy: 1.0780810657892606
Energy: 0.9661904417025344
Energy: 1.034268624537858
Energy: 1.0142631810682008
Energy: 1.0577071835451999
Energy: 1.0325553600598862
Energy: 0.9675916107254099
Energy: 1.035367802584296
Energy: 1.0141311426407071
Energy: 1.0606323994886695
Energy: 1.0386617982410562
Energy: 1.1086959943625703
Energy: 1.0332855621885113
Energy: 1.0024640564438316
Energy: 1.0526406223060931
Energy: 1.0034382176374692
Energy: 1.095228575583701
Energy: 1.0508167957347587
Energy: 0.9964602821201602
Energy: 1.0411419758334932
Energy: 1.1259560007649876
Energy: 0.9883162290763977
Energy: 0.9926462143510686
Energy: 1.0428651158429494
Energy: 1.0850752710260023
Energy: 1.1396324634667245
Energy: 1.0549251752674562
Energy: 0.9875433774995092
Energy: 1.0433423801851394
Energy: 1.1076885009094668
Energy: 0.9857898324471608
Energy: 1.099190264855978
Energy: 1.0864642355967011
Energy: 0.9757412056314847
Energy: 0.9826691781589504
Energy: 0.9654986492088616
Energy: 1.091169308470743
Energy: 1.0865389073920482
Energy: 1.010891796418481
Energy: 0.9833300336871825
Energy: 0.9662613304596666
Energy: 0.9682388251876457
Energy: 0.9807014383570933
Energy: 0.980954503595068
Energy: 1.0918625712190664
Energy: 1.18641144313169
Energy: 0.987750762183311
Energy: 0.9815984078192496
Energy: 0.9810602481213806
Energy: 1.1038454188536335
Energy: 1.1848402422668929
Energy: 0.9883610704677703
Energy: 0.9805456563984711
Energy: 0.9889193620084311
Energy: 1.0018721056776108
Energy: 1.0423503190209422
Energy: 0.9848468834250942
Energy: 0.9832999810549229
Energy: 0.9889414596464726
Energy: 1.01442166665436
Energy: 1.0984473797834495
Energy: 1.0302734194775565
Energy: 0.9809156488364904
Energy: 1.004118862217394
Energy: 0.9766574688199843
Energy: 1.0566366614485048
Energy: 0.9893370715984565
Energy: 0.9806498660698656
Energy: 1.0157630655835275
Energy: 0.9788098406888999
Energy: 1.1176802288685794
Energy: 0.9831134835757316
Energy: 1.184555099641084
Energy: 1.0426498232402517
Energy: 0.9821401768282468
Energy: 0.9914588825401214
Energy: 0.9809017979747844
Energy: 1.1813900873895842
Energy: 1.1185877773622248
Energy: 0.9765441155080625
Energy: 0.9952471048593203
Energy: 1.046618287748508
Energy: 1.0233229700950202
Energy: 0.9823116615105403
Energy: 0.9819107851457556
Energy: 1.0087100875548085
Energy: 1.0454993214549677
Energy: 0.9927429785233886
Energy: 0.9759290400685492
Energy: 0.9898607865265124
Energy: 1.0160719519741914
Energy: 1.0405389111374137
Energy: 1.0585499000051126
Energy: 0.9947599974865693
Energy: 1.014766187681691
Energy: 0.9959644560364977
Energy: 1.050077164358481
Energy: 0.998253592640881
Energy: 1.0048594539456783
Energy: 1.0097822780738468
Energy: 0.991945120397901
Energy: 1.1916413637670888
Energy: 1.0336375294662237
Energy: 1.0015960418905399
Energy: 0.9601246197465285
Energy: 1.0933330889452852
Energy: 1.191853081666631
Energy: 1.0384700960333388
Energy: 0.968715981492698
Energy: 0.9607741999363422
Energy: 1.0814031326268552
Energy: 1.0801307754931353
Energy: 1.0072449363467617
Energy: 1.0036327634602513
Energy: 1.0810973094327587
Energy: 1.0418095373907046
Energy: 1.0722048617275335
Energy: 0.9943827431028543
Energy: 1.0076126084618306
Energy: 1.0830484046047997
Energy: 1.0321847832794564
Energy: 1.0532596304360664
Energy: 1.0416333692370368
Energy: 1.0889313112228907
Energy: 1.0238677016981528
Energy: 1.0090115330708262
Energy: 1.053213119137791
Energy: 1.0394023188594812
Energy: 0.9600252245473693
Energy: 1.0244615766538194
Energy: 1.0071391815392607
Energy: 0.9791014929907984
Energy: 1.0500700042838778
Energy: 1.1514827603532507
Energy: 1.0110681805327335
Energy: 1.0052177234984478
Energy: 0.9778810159751357
Energy: 0.9691566986003676
Energy: 1.1472243559950668
Energy: 1.0330563379355107
Energy: 1.004587370334655
Energy: 1.1426210253928317
Energy: 1.1518638654943019
Energy: 0.9790885452274797
Energy: 1.0250564782231193
Energy: 1.0130013952275991
Energy: 1.1348823813014721
Energy: 1.1471488082234953
Energy: 0.9693598350585355
Energy: 1.022736622822031
Energy: 0.9615016762456382
Energy: 0.9673429021501274
Energy: 1.0427362221734946
Energy: 0.9598282460925628
Energy: 1.1289934985174543
Energy: 1.057729883901835
Energy: 0.9688592248851915
Energy: 1.014990517989362
Energy: 0.9781047986425361
Energy: 1.1253115008406676
Energy: 1.0168749945459743
Energy: 1.0564756738835739
Energy: 1.1351493256208691
Energy: 1.1411841324360166
Energy: 0.9901578662695899
Energy: 0.987345311140476
Energy: 1.1419455801836862
Energy: 1.135401680821044
Energy: 1.1412892226617743
Energy: 0.9902064867254735
Energy: 0.9856886563289857
Energy: 0.9812898275980559
Energy: 0.9883700803922116
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Energy: 0.9764521084592416
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Energy: 0.9669975763551915
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Energy: 1.1125696105008402
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Energy: 0.9830554938765624
Energy: 0.9828437582688682
Energy: 1.1381118627931301
Energy: 1.157703552435854
Energy: 0.9872394498909007
Energy: 0.9837335000534957
Energy: 0.989442956328945
Energy: 1.0226605790664152
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Energy: 0.9843401746423677
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Energy: 1.029079401934759
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Energy: 1.0151909172400582
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Energy: 1.0455639399483616
Energy: 0.9642420980460111
Energy: 1.003320120754721
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Energy: 1.0445672736770424
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Energy: 1.0313739734847711
Energy: 0.9775577183031848
Energy: 0.9989494130968614
Energy: 1.0532766923152255
Energy: 0.987137375604937
Energy: 0.9955920177855965
Energy: 1.006579367479612
Energy: 0.9724299567584039
Energy: 1.0497564849063115
Energy: 1.0062464166167222
Energy: 1.0042619722089499
Energy: 1.0148904581915767
Energy: 0.9798745467142549
Energy: 1.1917818990831799
Energy: 1.0594488728856084
Energy: 0.9834734737511625
Energy: 0.9685316244636886
Energy: 0.9959832569203892
Energy: 1.1909872495339182
Energy: 1.0566825938037865
Energy: 0.9590603676151764
Energy: 0.9596998621000605
Energy: 0.9967282985791214
Energy: 1.04053628164214
Energy: 0.9786480824559947
Energy: 0.9757296624597701
Energy: 1.0278926420032966
Energy: 1.0748009392787203
Energy: 1.0524233332323365
Energy: 0.9613008258196128
Energy: 0.9774416256254752
Energy: 1.020697967362634
Energy: 1.0451234276220716
Energy: 1.0510231895390474
Energy: 1.0413232150391252
Energy: 1.0672577456598087
Energy: 1.0185679223230042
Energy: 1.0076891470996108
Energy: 1.0504137560165425
Energy: 1.0385666516990706
Energy: 0.9905289118672058
Energy: 0.9927209160018249
Energy: 1.0061027623094358
Energy: 0.9976538706986778
Energy: 1.0342988217414446
Energy: 0.9890098624477819
Energy: 1.0639895409573887
Energy: 1.021055689303889
Energy: 0.9978793085441957
Energy: 1.0333648669904736
Energy: 1.1168864020762943
Energy: 1.019014292463584
Energy: 1.0375671883863677
Energy: 1.1834241639796033
Energy: 1.150003654456132
Energy: 1.013429478401264
Energy: 1.1056544352415372
Energy: 1.012939674078357
Energy: 1.1495307214809516
Energy: 1.1527355297595914
Energy: 1.017993984877434
Energy: 1.102024038649618
Energy: 0.9612285356353047
Energy: 1.0323472505343878
Energy: 1.1487524515440826
Energy: 1.0297028786211264
Energy: 1.1206342239017089
Energy: 1.0597974190934007
Energy: 0.9754156502360113
Energy: 1.141419553010369
Energy: 1.0236760726443341
Energy: 1.1042301568282986
Energy: 1.0579364656055417
Energy: 1.151815451938818
Energy: 1.1408495872039675
Energy: 1.1419331505582415
Energy: 1.0899681904159881
Energy: 0.986267126953305
Energy: 1.1307848487063612
Energy: 1.142689928545141
Energy: 1.1565416279088312
Energy: 1.0475488166216949
Energy: 0.9834895467648875
Energy: 0.9809240745294149
Energy: 0.991209357896661
Energy: 0.9993276604429366
Energy: 0.9794630592387085
Energy: 0.9933850543901672
Energy: 0.9798024100684232
Energy: 0.9690633251722757
Energy: 0.990744685224985
Energy: 0.9803560934282591
Energy: 0.9930257241576399
Energy: 0.9962848152252949
Energy: 1.0152678923121183
Energy: 1.0515997005381315
Energy: 0.9803793032913907
Energy: 0.9845750540339939
Energy: 0.995294322218114
Energy: 1.0589994324455916
Energy: 1.0371121302810153
Energy: 0.9809822225666941
Energy: 0.9860478843076755
Energy: 1.0726169113271544
Energy: 0.9752183428863246
Energy: 0.9992516177728384
Energy: 1.0716549391355608
Energy: 1.038463881478187
Energy: 1.0451324103225974
Energy: 0.9757054562768508
Energy: 0.9963225472505036
Energy: 1.0778426562332295
Energy: 1.073896192871399
Energy: 0.9900026698015159
Energy: 0.9838936655575541
Energy: 1.0391715139342306
Energy: 1.1819297104784579
Energy: 0.9824542206980474
Energy: 0.9679143380737412
Energy: 0.966990860268568
Energy: 1.0629710314968632
Energy: 1.1836103310690103
Energy: 0.9827330499962984
Energy: 1.0009573471073383
Energy: 0.9863089742047572
Energy: 0.9976846158894972
Energy: 0.979474133338627
Energy: 0.968180464677654
Energy: 1.0031879792471998
Energy: 1.0013889879913032
Energy: 1.0111323173953122
Energy: 0.9808401600229345
Energy: 0.9934045898836568
Energy: 0.989506208168094
Energy: 0.9698997449616489
Energy: 0.9995557126057071
Energy: 1.1735911798176146
Energy: 1.0652066575736103
Energy: 0.971346549649764
Energy: 1.0282386646346162
Energy: 1.0017300195452319
Energy: 1.062867440158925
Energy: 1.0959100873555505
Energy: 1.0155322163406957
Energy: 1.0883990345913717
Energy: 1.0378657961296631
Energy: 1.0008370310035013
Energy: 0.9603692768020479
Energy: 0.9957039423612639
Energy: 1.0827259953753174
Energy: 0.9819661109259921
Energy: 1.0037663011333595
Energy: 0.9646678405112781

minimum gb energy = 0.9590603676151764 eV
minimum distance =  2.4502476806355 Angstroms
sigma value = 437


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

Energy: 1.3816705601533725
Energy: 0.9947649602222377
Energy: 1.0404908512154891
Energy: 0.9662565675511543
Energy: 0.9952981320232287
Energy: 1.3803469954403342
Energy: 0.9392197284237781
Energy: 1.0397851026773384
Energy: 0.9658997937785652
Energy: 1.037174301564059
Energy: 0.8874072038417098
Energy: 1.0201050541511134
Energy: 0.8938515093735451
Energy: 1.0871875769940151
Energy: 0.9247802160878615
Energy: 0.8935580600539832
Energy: 1.0212273361934785
Energy: 0.8942165722628443
Energy: 1.020261951484681
Energy: 0.9258046833425227
Energy: 0.9961799985923377
Energy: 1.008647481414659
Energy: 0.9230062364872961
Energy: 0.9309131345275542
Energy: 0.9002774639693003
Energy: 0.9953340427288759
Energy: 1.0095042796140214
Energy: 0.9234245653486045
Energy: 0.9289116391523374
Energy: 0.9949237192950207
Energy: 0.9282933008954797
Energy: 0.932032744267047
Energy: 0.9196080480574702
Energy: 0.994830590732834
Energy: 0.8935414941375888
Energy: 0.9298037449515663
Energy: 0.9306828528483505
Energy: 1.0019771643996132
Energy: 0.9940771497296589
Energy: 0.894285498580423
Energy: 0.9117079615400562
Energy: 1.0302566164480633
Energy: 0.930040488283528
Energy: 0.9268684370809449
Energy: 0.8935051115491602
Energy: 0.9192329012154621
Energy: 1.0304493153612937
Energy: 0.9347050828127776
Energy: 0.925671839761058
Energy: 0.8975751453397834
Energy: 0.9483877340774993
Energy: 0.9266829408808287
Energy: 0.8918037105051089
Energy: 1.0039185111859539
Energy: 0.9487927037878039
Energy: 0.949051052100715
Energy: 0.9257981566548827
Energy: 0.8916413060463809
Energy: 1.0076277627904475
Energy: 0.9491662812432857
Energy: 0.9981787189016431
Energy: 0.9914089986560032
Energy: 0.9903017205553974
Energy: 0.9251732197964403
Energy: 0.9216849377279271
Energy: 0.9969499418122952
Energy: 0.9903003624290131
Energy: 0.9899905358624647
Energy: 0.9257957675748055
Energy: 0.9205746514252768
Energy: 1.0068578212377108
Energy: 0.8964640426553879
Energy: 0.9252995628241394
Energy: 0.9352546353531728
Energy: 1.0229378451523767
Energy: 1.006977216476188
Energy: 0.8919833412436904
Energy: 0.9256700840948506
Energy: 0.9340193710884745
Energy: 1.0233509567842325
Energy: 0.9270917861236381
Energy: 0.9224188532583729
Energy: 0.9393892073802069
Energy: 0.9238301994172747
Energy: 0.9275748651477719
Energy: 0.9255814599530223
Energy: 1.017559627831133
Energy: 0.9387901677590428
Energy: 0.9273536629316318
Energy: 0.9260173231660112
Energy: 0.9463775770957761
Energy: 0.9377931365183961
Energy: 0.9018089441237925
Energy: 0.8966591094236888
Energy: 0.9382898845370194
Energy: 1.0063251112046572
Energy: 0.9333379845596942
Energy: 0.898253786366222
Energy: 1.0860543608771895
Energy: 0.9394496912275816
Energy: 0.8939945780332484
Energy: 0.8924615032308969
Energy: 0.939265953488768
Energy: 0.9496717413026421
Energy: 0.8987413991349794
Energy: 0.8930675334392467
Energy: 0.8919141989454761
Energy: 1.0300684896991885
Energy: 0.950127137302094
Energy: 0.9265213067244155
Energy: 0.8994424115938854
Energy: 0.9006609729748748
Energy: 0.9007221602710039
Energy: 0.9967272154679522
Energy: 0.8973043080045646
Energy: 0.8999279582114763
Energy: 0.8935150558478383
Energy: 0.9014863291868054
Energy: 0.9945161255606714
Energy: 0.8954211256339991
Energy: 0.8944906475626901
Energy: 0.898207072956483
Energy: 0.9241630222002076
Energy: 1.019609152646009
Energy: 0.9381495901766356
Energy: 0.8957169172225766
Energy: 0.9048929798213222
Energy: 0.9247416241922781
Energy: 1.01838804622769
Energy: 0.8956890247398991
Energy: 1.091973532494028
Energy: 0.9493859764501
Energy: 1.053417078495853
Energy: 0.8992003770950592
Energy: 0.9071159543505687
Energy: 0.8979057890022352
Energy: 0.9424933967921054
Energy: 1.1089987122232363
Energy: 0.8962733158767351
Energy: 0.9458476968518243

minimum gb energy = 0.8874072038417098 eV
minimum distance =  2.52946111532118 Angstroms
sigma value = 33