Model name: model_name=MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
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=3.889087237417698
cohesive_energy=3.910307542081986
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=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-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: 0.01474292612572475
Energy: 0.0184826738949249
Energy: 0.7342511923332627
Energy: 0.7343347559177482
Energy: 0.01785327593851742
Energy: 0.016163228038338546
Energy: 0.10565087363500392
Energy: 0.7333777178217914
Energy: 0.7353222527505595
Energy: 0.017374375582811616
Energy: 0.015053914700425518
Energy: 0.7323507989352576
Energy: 0.10621257602710418
Energy: 0.10650736769624344
Energy: 0.10652487357313192
Energy: 0.10714035375280641
Energy: 0.7324322457724957
Energy: 0.10592647256500987
Energy: 0.10885211455972478
Energy: 0.10629448386919571
Energy: 0.7357440480655176
Energy: 0.017782696018007808
Energy: 0.015315149438767802
Energy: 0.10597356764266781
Energy: 0.7338318039284005
Energy: 0.7357967943135718
Energy: 0.016988393324649267
Energy: 0.015107218406289622
Energy: 0.10624809475514602
Energy: 0.7332484552847576
Energy: 0.1068788964780075
Energy: 0.016034630392889933
Energy: 0.015951539427006355
Energy: 0.732823818736668
Energy: 0.1059939229121445
Energy: 0.10719189200167618
Energy: 0.015763190967850338
Energy: 0.015407064260309841
Energy: 0.7344312840096698
Energy: 0.10652509308473425
Energy: 0.10772838780122287
Energy: 0.1073026653687629
Energy: 0.733342551023149
Energy: 0.01614745032032904
Energy: 0.015674750914016853
Energy: 0.10657807192752065
Energy: 0.7347575519994398
Energy: 0.10901244243928025
Energy: 0.017075563059749582
Energy: 0.10552561973147019
Energy: 0.7339624426362702
Energy: 0.10765221692253037
Energy: 0.1059503548447909
Energy: 0.015712146636314935
Energy: 0.018697152312040093
Energy: 0.7350396727133669
Energy: 0.8448963704214365
Energy: 0.10776536237844983
Energy: 0.015818243640746733
Energy: 0.01949507826638769
Energy: 0.01953228614990368
Energy: 0.10691702415781958
Energy: 0.9029857916052348
Energy: 0.10713911176622695
Energy: 0.10698422755001964
Energy: 0.01925295650637091
Energy: 0.9156378537207293
Energy: 0.8804468246157191
Energy: 0.10779301441512867
Energy: 0.10812066979373877

minimum gb energy = 0.01474292612572475 eV
minimum distance =  2.71439557023296 Angstroms
sigma value = 3


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

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Energy: 1.5397433228961361
Energy: 1.2678022260600565
Energy: 1.3313907306881267
Energy: 1.5592412951969077
Energy: 1.2921105042835057
Energy: 1.5203324687700528
Energy: 1.2697722265789528
Energy: 1.3920089477521242
Energy: 1.6423287619373674
Energy: 1.8541213572259427
Energy: 1.9241325588854268
Energy: 1.5994548229738301
Energy: 1.5701175917513825
Energy: 1.5874431147174934
Energy: 1.7680420269878876
Energy: 1.8483183190326704
Energy: 1.6051006392465352
Energy: 1.5541672871836576
Energy: 1.5431038920179223
Energy: 1.3918508002204983
Energy: 1.8053680208668395
Energy: 1.749834848202321
Energy: 1.3767369271355296
Energy: 1.3340015411051895
Energy: 1.3067636613100715
Energy: 1.7877109019585145
Energy: 1.745216064204938
Energy: 1.369432575479278
Energy: 1.38791597038342
Energy: 1.3812190225923355
Energy: 1.610895244161346
Energy: 1.8169827514142722
Energy: 1.5143837659941193
Energy: 1.4217552446512067
Energy: 1.3884639123709879
Energy: 1.6866624335940503
Energy: 1.8139281827349185
Energy: 1.458122860525497
Energy: 1.369122409595737
Energy: 1.6561919228349258
Energy: 1.538796545398942
Energy: 1.6241179200653848
Energy: 1.6741765460303957
Energy: 1.5480594843760918
Energy: 1.6551003096777643
Energy: 1.5121248818614041
Energy: 1.6195534896321835
Energy: 1.697291913740781
Energy: 1.5913942152809515
Energy: 1.7621666035313668
Energy: 1.3939250893196808
Energy: 1.607038155466058
Energy: 1.7800996365548898
Energy: 1.7217301386784545
Energy: 1.7571949851870097
Energy: 1.395109164242643
Energy: 1.583196925796306
Energy: 1.7091206435638604
Energy: 1.6716875352435991
Energy: 1.5897337350648284
Energy: 1.6137192025154599
Energy: 1.7752485070190995
Energy: 1.5516668164354341
Energy: 1.6908906623401279
Energy: 1.5900977237343792
Energy: 1.6324340245519826
Energy: 1.791169737138019
Energy: 1.5530058136595442
Energy: 1.6715227125678616
Energy: 1.2680815210337641
Energy: 1.5694873300894556
Energy: 2.0890378341554676
Energy: 2.077541833620225
Energy: 1.486114080079085
Energy: 1.26967299582591
Energy: 1.5647923077752097
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Energy: 1.6134029045288782
Energy: 1.482497167898259
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Energy: 1.6669332397146457
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Energy: 1.3992692430556062
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Energy: 1.759983535169901
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Energy: 1.7004780128234251
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Energy: 1.5809344301814297
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Energy: 1.5925153841151642
Energy: 1.7108084401546233
Energy: 1.6263599085634588
Energy: 1.5987521792038772
Energy: 1.7999963247079043
Energy: 1.3781376640161216
Energy: 1.5060232537984104
Energy: 1.2751200437398718
Energy: 1.3263443969978115
Energy: 1.69725485034888
Energy: 1.294068597872966
Energy: 1.5472293752476978
Energy: 1.2708265802702063
Energy: 1.3595604930402458
Energy: 1.728562698866772
Energy: 1.836611902526707
Energy: 1.912324864593783
Energy: 1.5624723155810096
Energy: 1.5680742327011645
Energy: 1.551720836801281
Energy: 1.7782202517724304
Energy: 1.8003084753720027
Energy: 1.4971037442772674
Energy: 1.5604228534791036
Energy: 1.577744955793467
Energy: 1.396253399865151
Energy: 1.8795870515960826
Energy: 1.744859024053703
Energy: 1.4439426624815026
Energy: 1.3433064634445988
Energy: 1.3626643362198465
Energy: 1.8744971986091856
Energy: 1.8621792126275742
Energy: 1.3810448467385723
Energy: 1.3620416850721695
Energy: 1.3459414076477445
Energy: 1.6697203376026906
Energy: 1.7741337269202349
Energy: 1.4936156338652837
Energy: 1.1829243233210647
Energy: 1.375130167291929
Energy: 1.6038843264127276
Energy: 1.8453418674913855
Energy: 1.4973938128649924
Energy: 1.1862713739379114
Energy: 1.6326629058132491
Energy: 1.6697459996730781
Energy: 1.6503593334784195
Energy: 1.7213436875968129
Energy: 1.5521234158716546
Energy: 1.636690621945374
Energy: 1.6415424697060277
Energy: 1.636998342793427
Energy: 1.7153859944839824
Energy: 1.598413952600709
Energy: 1.6024905083399645
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Energy: 1.7969912037207803
Energy: 1.660967534745825
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Energy: 1.3956397291953921
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Energy: 1.3812841318372453
Energy: 1.6363495050352699
Energy: 1.6040661446538553
Energy: 1.6268791414187462
Energy: 1.7736887612492234
Energy: 1.5698835346291842
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Energy: 1.597279687990059
Energy: 1.6604505976646733
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Energy: 1.5293688553403195
Energy: 1.6744387205530333
Energy: 1.2647416387258341
Energy: 1.5528510201492098
Energy: 1.8910153340569742
Energy: 1.7409109429821956
Energy: 1.4764717063964454
Energy: 1.2704118249278127
Energy: 1.5540937947514804
Energy: 1.888880603565752
Energy: 1.5947722375681102
Energy: 1.4769580422271773
Energy: 1.528443027548783
Energy: 1.5630483154125443
Energy: 1.521161897994588
Energy: 1.7914508189462808
Energy: 1.6735315780943378
Energy: 1.5523622138878572
Energy: 1.5755263854298502
Energy: 1.5698652012743288
Energy: 1.8638846792345158
Energy: 1.643945338569612
Energy: 1.6089459756527194
Energy: 1.3753474070950842
Energy: 1.3948823835528972
Energy: 1.492327625988899
Energy: 1.8170297197991516
Energy: 1.6003701836711588
Energy: 1.3788063815950848
Energy: 1.3763268456366187
Energy: 1.473627677451963
Energy: 1.7743598277762067
Energy: 1.503854693353349
Energy: 1.412726619585476
Energy: 1.3512109903503842
Energy: 1.604075730487501
Energy: 1.778259083613213
Energy: 1.520595566522912
Energy: 1.4474669553389845
Energy: 1.3504469983003033
Energy: 1.6256008643171658
Energy: 1.8359396949822802
Energy: 1.7747550520491362
Energy: 1.754645150382062
Energy: 1.6414865731718646
Energy: 1.7407611942176
Energy: 1.6958861774553171
Energy: 1.773828736881662
Energy: 1.6321851899035265
Energy: 1.6595725226866502
Energy: 1.7580267870214246
Energy: 1.729861625259786
Energy: 1.53196935864711
Energy: 1.2567897171931757
Energy: 1.6470286149728128
Energy: 1.3936381086498772
Energy: 1.5241277717845505
Energy: 1.4787051765962034
Energy: 1.702086190272356
Energy: 1.6036118824011945
Energy: 1.3905211288532184
Energy: 1.6245200605259602
Energy: 1.5893776061542477
Energy: 1.72801504963251
Energy: 1.6524218986056252
Energy: 1.5945767521382812
Energy: 1.7269153415712886
Energy: 1.4939796500426454
Energy: 1.7361096368170832
Energy: 1.6350202638455988
Energy: 1.5887877523926774
Energy: 1.8321333348146553
Energy: 1.4153307617778896
Energy: 1.4664747916946752
Energy: 1.2871773370353277
Energy: 1.3294473570327832
Energy: 1.70546414711233
Energy: 1.2968417857486687
Energy: 1.4928817771950915
Energy: 1.2624838957553495
Energy: 1.3429272946180397
Energy: 1.7326651758303981

minimum gb energy = 1.1829243233210647 eV
minimum distance =  2.42041899945641 Angstroms
sigma value = 75


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

Energy: 1.9078590577741263
Energy: 1.730063371213343
Energy: 1.5524576048562946
Energy: 1.5870147293197403
Energy: 1.7692976164531171
Energy: 1.7713458972512783
Energy: 1.6102473863211189
Energy: 1.537677809323786
Energy: 1.5947618186070167
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Energy: 1.7712115728504132
Energy: 1.9004060322346776
Energy: 1.6652352752689168
Energy: 1.5314224702997097
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Energy: 1.657661698567827
Energy: 1.5789891526480722
Energy: 1.5981973933796423
Energy: 1.606706224085653
Energy: 1.6885622057343705
Energy: 1.4583527094753115
Energy: 1.4971075798264015
Energy: 1.3322505134413318
Energy: 1.5679116921566125
Energy: 1.5920318999715684
Energy: 1.4579651265789304
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Energy: 1.2564837936936384
Energy: 1.6408215937851798
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Energy: 1.7445008109842224
Energy: 1.7093340797354177
Energy: 1.335419433264627
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Energy: 1.695893523107904
Energy: 1.7526750685961303
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Energy: 1.342966078269822
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Energy: 1.755719088832138
Energy: 1.809157288019401
Energy: 1.639275721384979
Energy: 1.6721689085965106
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Energy: 1.782932826517171
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Energy: 1.6461074448757098
Energy: 1.6766194019278196
Energy: 1.7061026684348652
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Energy: 1.7045473202940518
Energy: 1.611748301030748
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Energy: 1.6782507956424157
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Energy: 1.682813974359188
Energy: 1.6501704017152243
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Energy: 1.6520454621389231
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Energy: 1.6420741090817488
Energy: 1.8223993147166386
Energy: 1.6749474698560614
Energy: 1.6218920414340998
Energy: 1.5591268296082585
Energy: 1.7479689721415586
Energy: 1.7784353397099166
Energy: 1.6741084091805893
Energy: 1.584270164974024
Energy: 1.5864742979797488
Energy: 1.6523918044727721
Energy: 1.6947595728129674
Energy: 1.8266636535633165
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Energy: 1.5671353455979824
Energy: 1.6237514485051
Energy: 1.7134047742158904
Energy: 1.8081750520479707
Energy: 1.7071175971026828
Energy: 1.6384166175207662
Energy: 1.496997978159559
Energy: 1.456519996231197
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Energy: 1.6517436246150898
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Energy: 1.7158988078579982
Energy: 1.8019837247811108
Energy: 1.6091850040010252
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Energy: 1.3151229123758088
Energy: 1.4634985453032245
Energy: 1.4606147073044253
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Energy: 1.547720718413789
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Energy: 1.6364045660192827
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Energy: 1.6725303768268898
Energy: 1.552917610613055
Energy: 1.5696731057854973
Energy: 1.7327766129542812
Energy: 1.7139401213509817
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minimum gb energy = 1.2544960451926823 eV
minimum distance =  2.47336681837681 Angstroms
sigma value = 105


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

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Energy: 1.4745904178375053
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Energy: 1.5526744370431629
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Energy: 1.5294729478792548
Energy: 1.7910494809993307
Energy: 1.7801705208550154
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Energy: 1.515497673931687
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Energy: 1.7750737842581608
Energy: 1.7221739488455674
Energy: 1.4254880191131882
Energy: 1.3333794914274733
Energy: 1.7640228042231434
Energy: 1.9350959335141873
Energy: 1.6683309258822538
Energy: 1.4161665682343971
Energy: 1.3348886063323173
Energy: 1.784700010627358
Energy: 1.9087448039136383
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Energy: 1.4529572850960102
Energy: 1.4125774820315435
Energy: 1.500860482416421
Energy: 1.9378521529939754
Energy: 1.7963230487132784
Energy: 1.430656284091535
Energy: 1.4280926225039612
Energy: 1.500833228363269
Energy: 1.9385601471854934
Energy: 1.7371303979596675
Energy: 1.7381255562842506
Energy: 1.3726603171318577
Energy: 1.568706440114208
Energy: 1.6462796173840126
Energy: 1.7774810134264822
Energy: 1.7129594605120808
Energy: 1.4057719682795902
Energy: 1.556659633369013
Energy: 1.6260840317928908
Energy: 1.7016297143501806
Energy: 1.7734892311829726
Energy: 1.8045486486101967
Energy: 1.4682439713620752
Energy: 1.55137601302824
Energy: 1.662974934816091
Energy: 1.7268826700686253
Energy: 1.788334661052863
Energy: 1.3970882437370884
Energy: 1.5906396863550794
Energy: 1.654192012873468
Energy: 1.694662049922451
Energy: 1.3923124579474209
Energy: 1.633460194905684
Energy: 1.5550909764812604
Energy: 1.6628198649256645
Energy: 1.7169550842260568
Energy: 1.4146460945053847
Energy: 1.609657487029834
Energy: 1.6897635064274348
Energy: 1.9398053730691092
Energy: 1.5393326594016716
Energy: 1.3057121243383008
Energy: 1.3684061375370875
Energy: 1.5736630907751898
Energy: 1.8699895800876425
Energy: 1.4320303844180489
Energy: 1.2737556466243458
Energy: 1.3715370901886677
Energy: 1.873977927606259

minimum gb energy = 1.2636265468196135 eV
minimum distance =  2.45075955393037 Angstroms
sigma value = 165


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

Energy: 1.4226161611590047
Energy: 1.7942064654058685
Energy: 1.5309603301400942
Energy: 1.5285148101800887
Energy: 1.7762043383096147
Energy: 1.3353446787319343
Energy: 1.7588521486120334
Energy: 1.4976409943573452
Energy: 1.5351425654990514
Energy: 1.8062801077547221
Energy: 1.729158370648349
Energy: 1.4888249010847532
Energy: 1.519790962595811
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Energy: 1.3855026578179432
Energy: 1.340577840747066
Energy: 1.473850161859412
Energy: 1.602108273927624
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Energy: 1.3632080116731824
Energy: 1.4611361405892365
Energy: 1.5413463538194945
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Energy: 1.5952547492272895
Energy: 1.4502562949425097
Energy: 1.4882767904080128
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Energy: 1.496253326072281
Energy: 1.3856030950406362
Energy: 1.6574998845361142
Energy: 1.553613119111371
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Energy: 1.4278306804182204
Energy: 1.5625084257533002
Energy: 1.4314382069856664
Energy: 1.7035573544003186
Energy: 1.7686614061339816
Energy: 1.4276521954486658
Energy: 1.657420810156383
Energy: 1.5025621025678724
Energy: 1.380686569752345
Energy: 1.5151280826641973
Energy: 1.5531829978121376
Energy: 1.6904664368857356
Energy: 1.4719768039916654
Energy: 1.3692259398943272
Energy: 1.3566574352177787
Energy: 1.6242383170098609
Energy: 1.9676859702959233
Energy: 1.8538581389378337
Energy: 1.3310985398739756
Energy: 1.327525395761901
Energy: 1.4080252853853077
Energy: 1.9419711839753955
Energy: 1.8403801666971664
Energy: 1.3427082828066912
Energy: 1.323809258055292
Energy: 1.469164476883266
Energy: 1.7367013019386532
Energy: 1.7489103757509814
Energy: 1.4884243552120267
Energy: 1.2259352492485047
Energy: 1.3963900191746101
Energy: 1.7186434018304018
Energy: 1.747956694352356
Energy: 1.5595875492270759
Energy: 1.2143879383996028
Energy: 1.4604880703141947
Energy: 1.7739941483219888
Energy: 1.3811685513197145
Energy: 1.3501342297937908
Energy: 1.524302223056394
Energy: 1.464868487536025
Energy: 1.7770980078547383
Energy: 1.3106702614269667
Energy: 1.419463866422934
Energy: 1.4675097886838484
Energy: 1.5371947379893438

minimum gb energy = 1.2143879383996028 eV
minimum distance =  2.44842546374471 Angstroms
sigma value = 41


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

Energy: 1.9467411971656765
Energy: 1.7511643008104534
Energy: 1.2826889242276038
Energy: 1.3564362350163603
Energy: 1.7764476761598258
Energy: 1.909954772778599
Energy: 1.7005311226641318
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Energy: 1.3698510891351283
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Energy: 1.3291496224381285
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Energy: 1.1792653024298079
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Energy: 1.3321213446587945
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Energy: 1.5679434283552818
Energy: 1.3279670569226139
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Energy: 1.2890955043610106
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Energy: 1.5887723707727408
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Energy: 1.5371054450106825
Energy: 1.4297021154281622
Energy: 1.3915004244673774
Energy: 1.1573118880564945
Energy: 1.2441443336799605
Energy: 1.5497182347476741
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Energy: 1.1992662398545817
Energy: 1.277844855238727
Energy: 1.4507729199218877
Energy: 1.5789497785534405
Energy: 1.4975609785757815
Energy: 1.1691442411699566
Energy: 1.3116145380122375
Energy: 1.5090587440564864
Energy: 1.759886092859167
Energy: 1.4602562809309867
Energy: 1.2139153472229276
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Energy: 1.783779176587593
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Energy: 1.8330300808089712
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Energy: 1.5049000061699693
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Energy: 1.5025249366801297
Energy: 1.6435766019331624
Energy: 1.1790654733373982
Energy: 1.2337454018602045
Energy: 1.4137511032541796
Energy: 1.6146535108470965
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Energy: 1.4704738086561537
Energy: 1.7523610893710422
Energy: 1.7514237294869515
Energy: 1.1721258696275554
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Energy: 1.355850598404212
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Energy: 1.5360337922272316
Energy: 1.3202354404973282
Energy: 1.1897385553554853
Energy: 1.3537662541754447
Energy: 1.3774267516175869
Energy: 1.326797326038892
Energy: 1.3407852820665962
Energy: 1.17946539217889
Energy: 1.436431593110392
Energy: 1.7429695130877036
Energy: 1.4637416184306682
Energy: 1.0842488056031494
Energy: 1.1102246671905085
Energy: 1.4599718744208483
Energy: 1.7683776630631902
Energy: 1.2903875795223823
Energy: 1.1025328202407645
Energy: 1.101457363949311
Energy: 1.3077394599167285
Energy: 1.719865347405275
Energy: 1.3165588758216482
Energy: 1.2680748019263663
Energy: 1.1723215265476323
Energy: 1.6558629533713594
Energy: 1.723318101600405
Energy: 1.3167826750733909
Energy: 1.2601141982432378
Energy: 1.1831951821310733
Energy: 1.5233928645016732
Energy: 1.3958478128822502
Energy: 1.2454991752997766
Energy: 1.1779793939823726
Energy: 1.2834181471503177
Energy: 1.568979413375512
Energy: 1.3703896228460173
Energy: 1.2718862989667055
Energy: 1.186457536435224
Energy: 1.2185409535548397
Energy: 1.770755766612946
Energy: 1.1865182129745406
Energy: 1.100359138188135
Energy: 1.10087831238658
Energy: 1.4866868714010049
Energy: 1.7359453809109402
Energy: 1.3809912661885428
Energy: 1.089883715129374
Energy: 1.0797402110303524
Energy: 1.5172032466310312

minimum gb energy = 1.0723792038876723 eV
minimum distance =  2.51061910400454 Angstroms
sigma value = 185


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

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Energy: 0.748706202298248
Energy: 1.8024251753533653
Energy: 1.0879736393737143
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Energy: 1.116339795742197
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Energy: 0.4498603129965984
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Energy: 0.5801262993549475
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Energy: 1.1043723025811225
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Energy: 0.47853079888310046
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Energy: 1.1869681121649127
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Energy: 1.0896536116388185
Energy: 1.8175946725184273
Energy: 1.0675036862438092
Energy: 1.1775164710504076
Energy: 0.5757634562160749
Energy: 1.088300665073366
Energy: 2.1020178815413417
Energy: 1.1297554395765728
Energy: 1.1748819496620142
Energy: 0.5949591901506627
Energy: 1.277761432655877
Energy: 2.1058911949500536
Energy: 1.1084462522936966
Energy: 0.4501281686695545
Energy: 0.45311589772437744
Energy: 1.1692447769377006
Energy: 1.772901082480715
Energy: 1.0995704537749544
Energy: 0.5370123679849295
Energy: 0.5421937787406688
Energy: 1.1087951070228226
Energy: 1.7899724061165323
Energy: 1.0780074655201806
Energy: 1.2044951035192522
Energy: 1.096733464635319
Energy: 1.0924734040011472
Energy: 1.8089765834369829
Energy: 1.0897510170240376
Energy: 1.1354754389185076
Energy: 1.1666508660563233
Energy: 1.1174186856673405
Energy: 1.7888240427999604
Energy: 1.1740845840375074
Energy: 0.7481702625481367
Energy: 1.2133494548659336
Energy: 1.8020887981442952
Energy: 1.1092599324034107
Energy: 1.0208361274947075
Energy: 0.4061861139115251
Energy: 1.055342020483938
Energy: 2.157268868079972
Energy: 1.0710780488055465
Energy: 0.7484966575745129

minimum gb energy = 0.4061861139115251 eV
minimum distance =  2.57307751298959 Angstroms
sigma value = 33


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

Energy: 1.6890439650313815
Energy: 1.4305519541102454
Energy: 1.1233549840643675
Energy: 1.1676191027120495
Energy: 1.5289764590590498
Energy: 1.6596697287845736
Energy: 1.3418387787257138
Energy: 1.1320748198528428
Energy: 1.153344297077247
Energy: 1.5543924081368006
Energy: 1.264138559545501
Energy: 1.1704180848729193
Energy: 0.9654112796824134
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Energy: 1.0679157281465064
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Energy: 1.0784645904234622
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Energy: 1.079844616215213
Energy: 1.1658594515357092
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Energy: 1.365774810262382
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Energy: 1.0725884443459888
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Energy: 1.3337095538346821
Energy: 1.65129661351721
Energy: 1.0794660051617313
Energy: 1.2692869873723995
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Energy: 1.0768379682447033
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Energy: 1.0148838610912279
Energy: 1.1505275800093877
Energy: 1.4396912087506821
Energy: 1.4330522649965813
Energy: 1.5556892853664517
Energy: 1.3520342873961466
Energy: 1.5509260853186635
Energy: 1.3409016091550252
Energy: 1.5059747617001151
Energy: 1.5675627488692734
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Energy: 1.022463922925639
Energy: 1.290744525340001
Energy: 1.5980582892548354
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Energy: 1.2182047967411649
Energy: 1.0777750510316864
Energy: 1.1700145730382199
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Energy: 1.948001223788922
Energy: 1.2600745332552492
Energy: 1.126345786456978
Energy: 1.0789852059031733
Energy: 1.5453382353019915

minimum gb energy = 0.9088962525955399 eV
minimum distance =  2.50050598835987 Angstroms
sigma value = 219


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

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Energy: 1.3801042116507194
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Energy: 1.5272411955725045
Energy: 1.5509264517117225
Energy: 1.6357655497266064
Energy: 1.498695578246003
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Energy: 1.607782608042906
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Energy: 1.4470839318588151
Energy: 1.3242198548443895
Energy: 1.7635062669662118
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Energy: 1.793084907384831
Energy: 1.4955207312683634
Energy: 1.3563108125943437
Energy: 1.4743023857237256
Energy: 1.3411945218654002

minimum gb energy = 1.1902594353539564 eV
minimum distance =  2.50753591891041 Angstroms
sigma value = 15


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

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Energy: 1.6221502548735403
Energy: 1.6177178457945491
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Energy: 1.5700335309412565
Energy: 1.8890853277898523
Energy: 1.6561539367528795
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Energy: 1.4513048319110686
Energy: 1.6169967612820824
Energy: 1.8978618326093244
Energy: 1.6630798512883345
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minimum gb energy = 1.269953184827497 eV
minimum distance =  2.49347067393781 Angstroms
sigma value = 293


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

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Energy: 1.6964043648472986
Energy: 1.929591829090321
Energy: 1.7415683607866923
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Energy: 1.6332296396780694
Energy: 1.6480063308434347
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Energy: 1.8636977739331586
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Energy: 1.4846365679661206
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Energy: 1.9340569707017996
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Energy: 1.553785580951588
Energy: 1.699793593038618
Energy: 1.57213552277529
Energy: 1.6546225937510128
Energy: 1.902785587951419
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Energy: 1.858366290792791
Energy: 1.829470865622992
Energy: 1.8974036385409274
Energy: 1.9701678504135582
Energy: 1.7389648267310756
Energy: 1.8415999463225852
Energy: 1.8269114951236907
Energy: 1.8003004617351424
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Energy: 1.4834820367016475
Energy: 1.6548494780524006
Energy: 1.757632572133903
Energy: 1.8377284859488259
Energy: 1.4401156701925997
Energy: 1.5583862383120788
Energy: 1.6946707495260702
Energy: 1.7563273272324538
Energy: 1.5457853321365016
Energy: 1.3490173507060501
Energy: 1.6579645618359413
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Energy: 1.815474282502279
Energy: 1.4647300767220335
Energy: 1.349468718365774
Energy: 1.657756684773605
Energy: 1.7419061162990976
Energy: 1.6970748066009782
Energy: 1.6335973667113308
Energy: 1.5714119817034529
Energy: 1.7298986380916135
Energy: 2.0625327634789365
Energy: 2.0554923065771127
Energy: 1.630505883535706
Energy: 1.6516203979995168
Energy: 1.8702374698553126
Energy: 2.055721544551221
Energy: 1.985251727030988
Energy: 1.6764625974177212
Energy: 1.2268482822764006
Energy: 1.7561795268907172
Energy: 1.7786806580150587
Energy: 1.6229267213015508
Energy: 1.5030060875474887
Energy: 1.2271772498017879
Energy: 1.7905370585179483
Energy: 1.8193926820183322
Energy: 1.580936784084859
Energy: 1.7154701870820248
Energy: 1.6898940653695067
Energy: 1.8255820325057313
Energy: 1.6111724217205527
Energy: 1.6124060439709917
Energy: 1.715044071841289
Energy: 1.656774324937731
Energy: 1.6871519453606214
Energy: 1.6117037359031379
Energy: 1.6330729859759574
Energy: 1.7767197467933038
Energy: 1.8748677417761281
Energy: 1.6275737211460248
Energy: 1.5774992030186041
Energy: 1.7236583917042347
Energy: 1.7769185628938227
Energy: 1.9484026316977827
Energy: 1.6267117346617552
Energy: 1.579864760468617
Energy: 1.580894464452119

minimum gb energy = 1.2247680386317348 eV
minimum distance =  2.4874038150799 Angstroms
sigma value = 293


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

Energy: 1.0882016258410898
Energy: 1.0914695228507005
Energy: 1.5658443011493337
Energy: 1.7696732995308515
Energy: 1.0920437104489564
Energy: 1.0893500006910146
Energy: 1.6531385652002668
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Energy: 1.769446290699286
Energy: 1.0921002374557411
Energy: 1.3179786759453929
Energy: 1.6419808503250126
Energy: 1.107581662653403
Energy: 1.5004122257884336
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Energy: 1.6530349408350615
Energy: 1.6554334447835966
Energy: 1.4343787156169667
Energy: 1.5817183871156786
Energy: 1.2633487225653697
Energy: 1.7751228256709122
Energy: 1.4940567387335049
Energy: 1.4336655450592106
Energy: 1.4324795927645655
Energy: 1.4464334172335742
Energy: 1.7754589241693064
Energy: 1.4955644592786346
Energy: 1.401636962305337
Energy: 1.093086119859211
Energy: 1.0911639383683271
Energy: 1.112806880359786
Energy: 1.6540684938458639
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Energy: 1.4325345952267268
Energy: 1.1286679558848354
Energy: 1.9547798164702277
Energy: 1.0966780347505851
Energy: 1.4342275254003523
Energy: 1.451488123119412
Energy: 1.1126438156600895
Energy: 1.7299741137706597
Energy: 1.0956387313995553
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Energy: 1.6466086646955638
Energy: 1.598122492715286
Energy: 1.679302449811349
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Energy: 1.6013540259930628
Energy: 1.0898259675250668
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Energy: 1.4309086786333707
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Energy: 1.0913808135172376
Energy: 1.652397783552245
Energy: 1.1138594748334791
Energy: 1.4998267097137294
Energy: 1.662836865745316
Energy: 1.0912693464953702
Energy: 1.65203816144426
Energy: 1.1130356339710834
Energy: 1.1147718394183455
Energy: 1.5618277764834183
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Energy: 1.4333754528522704
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Energy: 1.8502782382641583
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Energy: 1.0884492633052985
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Energy: 1.56585562123323
Energy: 1.769389014627403
Energy: 1.091626573865975
Energy: 1.0891405246555843
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Energy: 1.77013076745161
Energy: 1.0921856174345441
Energy: 1.5648733664886896
Energy: 1.4463447854666802
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Energy: 1.5602493098048973
Energy: 1.0929076916498643
Energy: 1.0911939775489587
Energy: 1.1130151932817585
Energy: 1.833697550982235
Energy: 1.7758433255273423
Energy: 1.0925128845483514
Energy: 1.0913037696429537
Energy: 1.3206314153334582
Energy: 1.4953945102383024
Energy: 1.4510025948969856
Energy: 1.091092629617299
Energy: 1.0900173769081256
Energy: 1.6407350472368258
Energy: 1.2652018795635642
Energy: 1.5149854562898106
Energy: 1.0908752727662843
Energy: 1.09063381618476
Energy: 1.443519179084809
Energy: 1.431676372983541
Energy: 1.5986728456827815
Energy: 1.7874988004118957
Energy: 1.65049711328788
Energy: 1.4317674480423697
Energy: 1.1284825335956972
Energy: 1.7656569365758648
Energy: 1.631418045227745
Energy: 1.6500854424577347
Energy: 1.4329633354016684
Energy: 1.128304350001603
Energy: 1.9546682865192273
Energy: 1.0967580141006041
Energy: 1.434201471718173
Energy: 1.6507400260993872
Energy: 1.1131334237289792
Energy: 1.7312777544078575
Energy: 1.0956060183049365
Energy: 1.5840757903003535
Energy: 1.6469992486859504
Energy: 1.5978354752310933
Energy: 1.6795732712515465
Energy: 1.5649265730927238
Energy: 1.6535568396315143
Energy: 1.0902434808777584
Energy: 1.091340841949357
Energy: 1.991794955085057
Energy: 1.5613445459658828
Energy: 1.7533027008236892
Energy: 1.0896780907118202
Energy: 1.0910466012520321
Energy: 1.1129409242010908
Energy: 1.4270917121962712
Energy: 1.6606533338228082
Energy: 1.091053032750163
Energy: 1.6526384834945276
Energy: 1.1115975165368697
Energy: 1.4993219868051821
Energy: 1.5143378904093543
Energy: 1.091074535614505
Energy: 1.6516184685697646
Energy: 1.2647548925226142
Energy: 1.113912200421115
Energy: 1.5614077852414967
Energy: 1.9587101989852742
Energy: 1.4336181097962448
Energy: 1.263554939355005
Energy: 1.1128586543591594
Energy: 1.5616838076387494
Energy: 1.958068808856163
Energy: 1.4334274017243303
Energy: 1.093015484348049
Energy: 1.621174722280898
Energy: 1.1873910330272968
Energy: 1.6546501659142416
Energy: 1.5601030992040452
Energy: 1.0929966607595405
Energy: 1.6226832212225122
Energy: 1.8509839178522014
Energy: 1.652645242852502
Energy: 1.56649915515345

minimum gb energy = 1.0882016258410898 eV
minimum distance =  2.46991201957162 Angstroms
sigma value = 15


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

Energy: 1.9925013751427378
Energy: 2.108397651252328
Energy: 1.846353077524824
Energy: 1.7693790054688698
Energy: 2.0841274758347663
Energy: 1.9418126849554136
Energy: 2.0245974191415708
Energy: 1.8456001883330233
Energy: 1.878886710216988
Energy: 1.9552912247976149
Energy: 1.7664203162538206
Energy: 1.7826877008923105
Energy: 1.288994937867528
Energy: 1.312104490200251
Energy: 1.8036007332714508
Energy: 1.742718033517442
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Energy: 1.8614301835580103
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Energy: 1.6700063891294732
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Energy: 1.577394388335689
Energy: 1.6862557119352297
Energy: 1.5988053251401375
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Energy: 1.4046119286926846
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Energy: 1.807060488440205
Energy: 1.9883899359913622
Energy: 1.7874440822526003
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Energy: 1.8534557083274101
Energy: 1.7445093442902568
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Energy: 1.7743319894094114
Energy: 1.6573405692744403
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Energy: 1.368602813650499
Energy: 1.8357115735497964
Energy: 1.8210496671036567
Energy: 1.88406916356692
Energy: 1.6897963818536215
Energy: 1.9357618809441377
Energy: 1.838549713967456
Energy: 1.7790657693819776
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Energy: 1.6500592724096088
Energy: 1.9176837006112326
Energy: 1.351002619137121
Energy: 1.5209168117135823
Energy: 1.68136934090416
Energy: 1.5806115770436389
Energy: 1.703638108858608
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Energy: 1.7556643640353926
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Energy: 1.7109104627271698
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Energy: 1.6912374040651557
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Energy: 1.5669572239966794
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Energy: 1.6521811717777393
Energy: 1.3609882969762577
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Energy: 2.003985159353109
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Energy: 1.8172565914959637
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Energy: 1.7708346454197494
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Energy: 1.7044821496582845
Energy: 1.7769755986321178
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Energy: 1.761278931251292
Energy: 1.6976922124403877
Energy: 1.6948327585124103
Energy: 1.8234277080636199
Energy: 1.4839693573817294
Energy: 1.631058122779704
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Energy: 1.7715076761994184
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Energy: 1.759353665433587
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Energy: 1.6048809718374217
Energy: 1.8053392757224052
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Energy: 1.605120104379818
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Energy: 1.7570124387690804
Energy: 1.9268011447702784
Energy: 1.5050812595888199
Energy: 1.5174632391149807
Energy: 1.408998988245103
Energy: 1.5869630010094633
Energy: 1.9067213076873706
Energy: 1.5927035678475452
Energy: 1.5384839432962392
Energy: 1.3362385407219546
Energy: 1.6339637822810436
Energy: 1.7577809453567126
Energy: 1.7738362051791396
Energy: 1.5430614765672548
Energy: 1.282196833511157
Energy: 1.5990601031843457
Energy: 1.8034453027667567
Energy: 1.7342693369126283
Energy: 1.5229744065681197
Energy: 1.2750402229390365
Energy: 1.5970313033495807
Energy: 1.3427412020766427
Energy: 1.7717346471008244
Energy: 1.6938182623740081
Energy: 1.4860555802195505
Energy: 1.8137131953627614
Energy: 1.3597951076995098
Energy: 1.8673713610533675
Energy: 1.7047311463411259
Energy: 1.5683581103889743
Energy: 1.8013170991875485
Energy: 1.719973238574316
Energy: 1.8833421588157293
Energy: 1.8566099017707127
Energy: 1.8587431972904367
Energy: 1.807518436446373
Energy: 1.7486451324927588
Energy: 1.977154708981996
Energy: 2.0090031986471377
Energy: 1.8832071401643422
Energy: 1.8212255424883046
Energy: 1.2750172201574104
Energy: 1.6880122740036503
Energy: 1.9263390408211725
Energy: 1.838978449485071
Energy: 1.582005493176747
Energy: 1.2771441338764355
Energy: 1.6859285933368182
Energy: 1.951840614317507
Energy: 1.8465495241804828
Energy: 1.5679068758573447
Energy: 1.4112552719870162
Energy: 1.609306365525146
Energy: 1.5361013647776052
Energy: 1.6709724700553108
Energy: 1.5795740072983764
Energy: 1.4385533674701743
Energy: 1.5816945916886862
Energy: 1.6381680098658888
Energy: 1.6918500481201717
Energy: 1.6005476937912764
Energy: 1.7826789501503586
Energy: 1.5741840230952906
Energy: 1.3824440177001138
Energy: 1.706284924987794
Energy: 1.733831113339955
Energy: 1.7604321177880227
Energy: 1.4913147964120481
Energy: 1.477663130412999
Energy: 1.7699364781607558
Energy: 1.7653296352850478
Energy: 2.0074991087094824
Energy: 1.8654487677134937
Energy: 1.790081078204335
Energy: 1.970964561879051
Energy: 1.7401366956663606
Energy: 1.9987050235409032
Energy: 1.8646130107011345
Energy: 1.789646702912608
Energy: 1.9645390360903523
Energy: 1.739836314238226
Energy: 1.8340286472768303
Energy: 1.649780466125397
Energy: 1.491439575725334
Energy: 1.8000357263188758
Energy: 1.7089887125770853
Energy: 1.8610808138431638
Energy: 1.5119121103923776
Energy: 1.4936878942445468
Energy: 1.7399275464360435
Energy: 1.62769987941217
Energy: 1.593676624025434
Energy: 1.7616082900734158
Energy: 1.7148255716562748
Energy: 1.2832985056521296
Energy: 1.363270751560784
Energy: 1.609377269042779
Energy: 1.784818032809769
Energy: 1.6798394749401526
Energy: 1.282358958345336
Energy: 1.3920790602693212
Energy: 1.6542393677390987
Energy: 1.7864499590899499
Energy: 1.6632462288152607
Energy: 1.4162749371872825
Energy: 1.360395548867343
Energy: 1.7760301539536678
Energy: 1.7849316208566008
Energy: 1.620921724493347
Energy: 1.4227077352113175
Energy: 1.3499397692683128
Energy: 1.9506093047799047
Energy: 1.732841639845063
Energy: 1.8802301959892567
Energy: 1.7539467624055107
Energy: 1.928976883456328
Energy: 1.985404224418054
Energy: 1.7468747030779943
Energy: 1.8710181909786445
Energy: 1.7719691941428826
Energy: 1.8800100529576294
Energy: 1.467872237931873
Energy: 1.5377451643828732
Energy: 1.765834242938172
Energy: 1.4857606975606108
Energy: 1.83322550264534
Energy: 1.5337287551913041
Energy: 1.5468207153504916
Energy: 1.7701501874529844
Energy: 1.4897789356142934
Energy: 1.8337843494152877
Energy: 1.4068390510647528
Energy: 1.2833320059943478
Energy: 1.6797456710453949
Energy: 1.7992702138052947
Energy: 1.6004854473401597
Energy: 1.359901772762342
Energy: 1.330920908708485
Energy: 1.7219133295292137
Energy: 1.7882114462298067
Energy: 1.6117261752277312
Energy: 1.5396442087435034
Energy: 1.5062028509442775
Energy: 1.5099898254572441
Energy: 1.4893791732035084
Energy: 1.7597401835049535
Energy: 1.4299890959776598
Energy: 1.499659726159588
Energy: 1.3426125457672065
Energy: 1.7762116074928713
Energy: 1.763980884654692
Energy: 2.009216815343321
Energy: 2.078437443621825
Energy: 1.8189484060650698
Energy: 1.779592711904099
Energy: 1.9855606165667867
Energy: 1.9501606707781238
Energy: 1.9969672967338292
Energy: 1.8077490550543118
Energy: 1.8271818563844813
Energy: 1.9909334744320968

minimum gb energy = 1.2660179997621583 eV
minimum distance =  2.44000747732755 Angstroms
sigma value = 437


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

Energy: 1.5319331448594233
Energy: 2.057974582012981
Energy: 1.870339525072909
Energy: 1.786660979708091
Energy: 2.0418712622001682
Energy: 1.5329063657077562
Energy: 1.9382602727406226
Energy: 1.8514894669908057
Energy: 1.817588503799347
Energy: 1.9856258799189024
Energy: 1.5945800370470322
Energy: 1.682848622086388
Energy: 1.3888480113749424
Energy: 1.5002999154532712
Energy: 1.703730546621553
Energy: 1.6186398225063587
Energy: 1.6978128958242258
Energy: 1.3821430015879708
Energy: 1.6595475544488605
Energy: 1.7554095808663919
Energy: 1.4082726089826305
Energy: 1.4648913963063612
Energy: 1.731975813277781
Energy: 1.6060945185325315
Energy: 1.3029020926022197
Energy: 1.4303985900700593
Energy: 1.4736593962398485
Energy: 1.7024077622576212
Energy: 1.5803890510619225
Energy: 1.3020074680079787
Energy: 1.3904572381895532
Energy: 1.6686892853023532
Energy: 1.8665181053596014
Energy: 1.5561164737153836
Energy: 1.319213055563776
Energy: 1.3879651134386823
Energy: 1.781667264273044
Energy: 1.8870694644621286
Energy: 1.5730645559732654
Energy: 1.317789734839567
Energy: 1.8230316702192004
Energy: 1.867720656710486
Energy: 1.7848573956172007
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Energy: 1.753882347194924
Energy: 1.8101519230280616
Energy: 1.8474214413688534
Energy: 1.8361459885740838
Energy: 1.7487005475318484
Energy: 1.9298448953296354
Energy: 1.890178115838286
Energy: 1.6999696312896526
Energy: 1.6645655760826306
Energy: 1.8210637805143275
Energy: 1.5351324468325185
Energy: 1.8185536534164874
Energy: 1.5086975152191147
Energy: 1.6539540917764783
Energy: 1.7370590897090372
Energy: 1.5350247848269103
Energy: 1.5206758103090856
Energy: 1.3900382801613174
Energy: 1.3221601004529009
Energy: 1.6697675485546046
Energy: 1.680888467729375
Energy: 1.5098020963090988
Energy: 1.3908850251613725
Energy: 1.3237901788218562
Energy: 1.7374039875765448
Energy: 1.6730198540762768
Energy: 1.5848192798860294
Energy: 1.5088879156035453
Energy: 1.7225246848995404
Energy: 1.4884387001104604
Energy: 1.6320721835195229
Energy: 1.5833759722501384
Energy: 1.5085591180571956
Energy: 1.6743902703887537
Energy: 1.4872719007750188
Energy: 1.6542055870399008
Energy: 1.7358818140299863
Energy: 1.7971020197476855
Energy: 1.7371802734652895
Energy: 1.7179777132272616
Energy: 1.6191849977707804
Energy: 1.7236498268106908
Energy: 1.7982142544108741
Energy: 1.7335455840339784
Energy: 1.719213767845654
Energy: 1.6722109402747474
Energy: 1.9726700520380664
Energy: 1.902568206393153
Energy: 1.7767328312337634
Energy: 1.6972576154247974
Energy: 1.7059097619526842
Energy: 2.0237309686977394
Energy: 1.8144699969980123
Energy: 1.8043374654534905
Energy: 1.6766412970124291
Energy: 1.7562989215192828
Energy: 1.2744776927990396
Energy: 1.4888787587738446
Energy: 1.646737770388969
Energy: 1.6429732424819745
Energy: 1.7326096638815245
Energy: 1.3391613873647754
Energy: 1.5366518641030256
Energy: 1.6416388326300548
Energy: 1.642781235518554
Energy: 1.7623637750947219
Energy: 1.2785293352784342
Energy: 1.3145938723897241
Energy: 1.6598024868253936
Energy: 1.8089352018997993
Energy: 1.531238832624781
Energy: 1.2921874968805784
Energy: 1.3407969439567116
Energy: 1.6788782760052032
Energy: 1.7851788612535917
Energy: 1.5073956020230095
Energy: 1.416251606823932
Energy: 1.679510848534509
Energy: 1.6081780506581822
Energy: 1.5992061898566035
Energy: 1.6722673199386187
Energy: 1.3164016074016185
Energy: 1.6814425527315418
Energy: 1.4978854262420938
Energy: 1.6016509021044194
Energy: 1.6265190982776023
Energy: 2.046607276415643
Energy: 2.075431028315204
Energy: 1.8768542870355396
Energy: 1.8465148088616745
Energy: 1.8940807503336716
Energy: 2.062746303640143
Energy: 2.0405796077312983
Energy: 1.8675992081563357
Energy: 1.8190355046419675
Energy: 1.9678200839401314

minimum gb energy = 1.2744776927990396 eV
minimum distance =  2.41425735720914 Angstroms
sigma value = 33