Model name: model_name=Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.836713165044785
cohesive_energy=4.485771163676649
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -1.72571630673144e-17 eV

========================================
theta = 0.0
========================================

Energy: 0.015934877573322223
Energy: 0.017434183387701144
Energy: 0.016891676403288536
Energy: 2.010921042966281
Energy: 0.016891676403528625
Energy: 0.017434183386767478
Energy: 0.015934877573082134
Energy: 0.01743418338748774
Energy: 0.016891676403288536
Energy: 1.7638232735176662
Energy: 1.1425172392532348
Energy: 0.018313814888029075
Energy: 0.016953732105321372
Energy: 1.1108103638279547
Energy: 0.016953732105321372
Energy: 0.018313814888722656
Energy: 1.1425172392527547
Energy: 0.01831381488896274
Energy: 0.016953732104147617
Energy: 1.110810363827715
Energy: 0.015934877573322223
Energy: 0.017434183386767478
Energy: 0.016891676403288536
Energy: 2.459407488757563
Energy: 0.016891676403288536
Energy: 0.017434183387007564
Energy: 0.015934877573082134
Energy: 0.017434183386767478
Energy: 0.016891676403288536
Energy: 2.266855954602552
Energy: 1.142517239253715
Energy: 0.018313814889202834
Energy: 0.016953732105081287
Energy: 1.110810363827715
Energy: 0.016953732105081287
Energy: 0.01831381488848257
Energy: 1.142517239252995
Energy: 0.018313814888242484
Energy: 0.016953732105801544
Energy: 1.110810363827715
Energy: 0.015934877573322223
Energy: 0.017434183386767478
Energy: 0.01689167640518255
Energy: 2.170958074742684
Energy: 0.016891676404008796
Energy: 0.017434183387247646
Energy: 0.015934877573322223
Energy: 0.017434183386527392
Energy: 0.016891676403288536
Energy: 2.459407488756629
Energy: 1.142517239253475
Energy: 0.01831381488896274
Energy: 0.016953732105561455
Energy: 1.110810363828195
Energy: 0.016953732105321372
Energy: 0.018313814888722656
Energy: 1.142517239253475
Energy: 0.018313814888029075
Energy: 0.016953732105561455
Energy: 1.110810363827715
Energy: 0.015934877573322223
Energy: 0.017434183386767478
Energy: 0.016891676403528625
Energy: 1.763823273512758
Energy: 0.016891676404702377
Energy: 0.017434183387247646
Energy: 0.015934877573082134
Energy: 0.017434183386767478
Energy: 0.01689167640446229
Energy: 2.2668559546020717

minimum gb energy = 0.015934877573082134 eV
minimum distance =  2.04060878791057 Angstroms
sigma value = 3


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

Energy: 1.8342325917954407
Energy: 1.7512282054805608
Energy: 1.7366299143980124
Energy: 1.62022460093994
Energy: 1.7366795743690704
Energy: 1.75135840076378
Energy: 1.8342325917942908
Energy: 1.7512282054799857
Energy: 1.736629914398587
Energy: 1.6202245502451613
Energy: 1.8767257218090123
Energy: 1.6323472809342292
Energy: 1.6933342133415088
Energy: 1.7064384200461666
Energy: 1.6942325924513315
Energy: 1.630322544746493
Energy: 1.8767257218113125
Energy: 1.632347280931929
Energy: 1.6933342133426588
Energy: 1.7064384200467417
Energy: 1.7104476939971938
Energy: 1.6273250685257397
Energy: 1.6621201436585384
Energy: 1.623560543511257
Energy: 1.6545285656082964
Energy: 1.6188428407655122
Energy: 1.7104476939960438
Energy: 1.6390922562968884
Energy: 1.6621201436573887
Energy: 1.6235605435141318
Energy: 1.616055956543202
Energy: 1.630238139583231
Energy: 1.653473273331687
Energy: 1.6553441384955052
Energy: 1.6344308152941112
Energy: 1.6186259218351107
Energy: 1.6160559565409018
Energy: 1.630238139582081
Energy: 1.6534732733311124
Energy: 1.6553441384955052
Energy: 1.634479315167136
Energy: 1.62458935073117
Energy: 1.6851276218640319
Energy: 1.634580488981888
Energy: 1.629105094251758
Energy: 1.6254105485701524
Energy: 1.634479315167711
Energy: 1.6245893507294449
Energy: 1.6851276218640319
Energy: 1.634580488981313
Energy: 1.6270015861096063
Energy: 1.634370866998902
Energy: 1.6246029503768105
Energy: 1.6612634413477652
Energy: 1.620788742378042
Energy: 1.6631698727241757
Energy: 1.6248310194159403
Energy: 1.6343708670012023
Energy: 1.6246029503756605
Energy: 1.6612634413477652
Energy: 1.6232701013516324
Energy: 1.653719434273387
Energy: 1.6621541412151994
Energy: 1.6531876611898417
Energy: 1.6176323435120052
Energy: 1.838085900311036
Energy: 1.6232701013504822
Energy: 1.653719434273387
Energy: 1.6621541412157743
Energy: 1.6531876611892669
Energy: 1.6290906155074365
Energy: 1.736782337085412
Energy: 1.7068692978319526
Energy: 1.6864304103132755
Energy: 1.6851893571357621
Energy: 1.7493347451665795
Energy: 1.6290906155074365
Energy: 1.7367823370831124
Energy: 1.7068692978308024
Energy: 1.6864304103138505
Energy: 1.6345537850288512
Energy: 1.6934471113365983
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Energy: 1.7863516237962394
Energy: 1.6589968814832052
Energy: 1.9416010254873233
Energy: 1.6345537850271261
Energy: 1.6934471113342984
Energy: 1.6584539602797679
Energy: 1.7863516237950894
Energy: 1.726564386359262
Energy: 1.697399016425642
Energy: 1.6178039877302919
Energy: 1.8824126524878202
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Energy: 1.7817416025711534
Energy: 1.7243171368237311
Energy: 1.697399016425642
Energy: 1.617785068677781
Energy: 1.8824126524924205
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Energy: 1.686708591315524
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Energy: 1.6532916438510612
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Energy: 1.6720425515383173
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Energy: 1.6720425515394675
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Energy: 1.6280208263969624
Energy: 1.6557996888329456
Energy: 1.6346973254652484
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Energy: 1.6346973254652484
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Energy: 1.6244093811361149
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Energy: 1.6346598653845283
Energy: 1.6557996888312205
Energy: 1.6279643814917804
Energy: 1.6521649670008467
Energy: 1.6595363046028442
Energy: 1.6723327379239177
Energy: 1.6714853779927876
Energy: 1.6238287720596445
Energy: 1.6879347390292927
Energy: 1.6244582411697241
Energy: 1.6595363046022693
Energy: 1.6723327379227675
Energy: 1.6714853779922128
Energy: 1.6238287720607947
Energy: 1.653329275916764
Energy: 1.6865301477330472
Energy: 1.6920252844975734
Energy: 1.6290409279608922
Energy: 1.8221136899731576
Energy: 1.6186677759244306
Energy: 1.6533292759173388
Energy: 1.6865301477330472
Energy: 1.6920252844964234
Energy: 1.6290409279608922
Energy: 1.8824095714232298
Energy: 1.6180083659189313
Energy: 1.6973801827774033
Energy: 1.7265465482741862
Energy: 1.782171513721081
Energy: 1.7549942271619114
Energy: 1.8824095714226552
Energy: 1.6180083406896824
Energy: 1.6973801827762536
Energy: 1.726546548272461
Energy: 1.7862243133174411
Energy: 1.6584324997755953
Energy: 1.6933843489289444
Energy: 1.6343795592483543
Energy: 1.9414108345000403
Energy: 1.659232662126412
Energy: 1.7862243133174411
Energy: 1.6584324997796207
Energy: 1.6933843489312446
Energy: 1.634379559244329
Energy: 1.6864933308610068
Energy: 1.6822647467421323
Energy: 1.7363886148063903
Energy: 1.629370711189656
Energy: 1.7490825177743707
Energy: 1.6854866367867254
Energy: 1.6864933308610068
Energy: 1.682264746743282
Energy: 1.7363886148063903
Energy: 1.629370711189656
Energy: 1.6531494853659987
Energy: 1.664444762372395
Energy: 1.653782408874848
Energy: 1.62325127847738
Energy: 1.838124137596744
Energy: 1.6178552578324568
Energy: 1.6531494853665736
Energy: 1.66444476237067
Energy: 1.6537824088754232
Energy: 1.623251278475655
Energy: 1.6613316448565232
Energy: 1.6248828784341605
Energy: 1.63444924673544
Energy: 1.6270015861257072
Energy: 1.6631253878653385
Energy: 1.6284215134889604
Energy: 1.661331644855948
Energy: 1.6248828784347353
Energy: 1.6344492467348646
Energy: 1.627001586126282
Energy: 1.63465192267613
Energy: 1.6849014678342022
Energy: 1.624468899961059
Energy: 1.634247718731431
Energy: 1.6254105485799277
Energy: 1.6292665923776863
Energy: 1.6346519226767051
Energy: 1.6849014678347776
Energy: 1.624468899959334
Energy: 1.634247718733156
Energy: 1.6555318767264458
Energy: 1.6533743134949006
Energy: 1.6297485403270144
Energy: 1.6161180746531938
Energy: 1.6187569236604549
Energy: 1.6347593965089404
Energy: 1.6555318767270206
Energy: 1.6533743134966257
Energy: 1.6297485403252898
Energy: 1.6161180746543435
Energy: 1.6235605434928562
Energy: 1.6618063558444343
Energy: 1.617951021289688
Energy: 1.7103772435373794
Energy: 1.628834917481091
Energy: 1.6545501933028326
Energy: 1.6235605434963063
Energy: 1.6618063558432845
Energy: 1.617951021289113
Energy: 1.7103772435391045
Energy: 1.706243285515182
Energy: 1.6933467903479837
Energy: 1.6329836675133025
Energy: 1.876698770781476
Energy: 1.6309149307511093
Energy: 1.754576170304947
Energy: 1.706243285516332
Energy: 1.6933467903497088
Energy: 1.6329836675138771
Energy: 1.876698770782626
Energy: 1.637823691883326
Energy: 1.7366795743684955
Energy: 1.7513584007643548
Energy: 1.8342325917942908
Energy: 1.7512282054794108
Energy: 1.7366299143991621
Energy: 1.6378228515726483
Energy: 1.7366795743661956
Energy: 1.7513584007655048
Energy: 1.8342325917948659
Energy: 1.706438420056517
Energy: 1.6942325924496062
Energy: 1.630322544745343
Energy: 1.8767257218124622
Energy: 1.6323472809313542
Energy: 1.693334213344384
Energy: 1.706438420053067
Energy: 1.6942325924432808
Energy: 1.630322544745343
Energy: 1.8767257218124622
Energy: 1.623560543510682
Energy: 1.6545285656082964
Energy: 1.646248926629684
Energy: 1.7104476939971938
Energy: 1.6390922562974635
Energy: 1.6621201436619886
Energy: 1.623560543510682
Energy: 1.6545285656088713
Energy: 1.6188428407649373
Energy: 1.7104476939960438
Energy: 1.6553441385012555
Energy: 1.6344308152912361
Energy: 1.6186259218374106
Energy: 1.6160559565386017
Energy: 1.6302381395803558
Energy: 1.653473273331687
Energy: 1.6553441385006804
Energy: 1.634430815293536
Energy: 1.6186259218397108
Energy: 1.6160559565414767

minimum gb energy = 1.6160559565386017 eV
minimum distance =  2.07953277150037 Angstroms
sigma value = 75


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

Energy: 2.188536256049726
Energy: 1.8169661345792925
Energy: 1.8387899021376584
Energy: 1.8442032223051588
Energy: 1.8940861274951453
Energy: 2.076632618880682
Energy: 2.1885362560502872
Energy: 1.8169661345812564
Energy: 1.8387899021385
Energy: 1.8037754426539654
Energy: 1.9418762452090637
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Energy: 1.9273947718692417
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Energy: 1.8170128016362372
Energy: 1.9418762452090637
Energy: 1.7895402209030957
Energy: 1.9809715569785338
Energy: 1.9655316789410113
Energy: 1.8593200224176174
Energy: 1.8153833741799796
Energy: 1.7826033157130097
Energy: 1.8266566859623363
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Energy: 1.7902898641153706
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Energy: 1.7826033157124481
Energy: 1.826656685962617
Energy: 1.8595678862359213
Energy: 1.7986657872417606
Energy: 1.8256624381634345
Energy: 1.7980793085465505
Energy: 1.798849817683205
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Energy: 1.8595678862359213
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Energy: 1.8256624381634345
Energy: 1.7980793085465505
Energy: 1.8151609849222448
Energy: 1.8603048114925997
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Energy: 1.824435949296153
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Energy: 1.8603048114923193
Energy: 1.8400233641733563
Energy: 1.8244359492967142
Energy: 1.8552111387056822
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Energy: 1.8314590451538177
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Energy: 1.981744682698333
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Energy: 1.8157151987618938
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Energy: 1.8826514563456676
Energy: 1.7906829976497487
Energy: 1.8603303270227705
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Energy: 1.8261379960071418
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Energy: 2.0858289243694315
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Energy: 1.852913275591366
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Energy: 1.8168899520519657
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Energy: 1.8657659176063695
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Energy: 1.8316045970887103
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Energy: 1.7832171585486518
Energy: 1.8594510723153281
Energy: 1.7881123959800342
Energy: 1.8524437621192655
Energy: 1.8316045970887103
Energy: 1.9130946380758271
Energy: 1.7832171585486518
Energy: 1.8594510723156088
Energy: 1.8330117962912922
Energy: 1.8255256757790894
Energy: 1.8442708703102515
Energy: 1.8195329263773081
Energy: 1.8604890510890957
Energy: 1.9009860851959666
Energy: 1.8330117962904502
Energy: 1.8255256757790894
Energy: 1.8442708703096904
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Energy: 1.8647444538618132
Energy: 1.8595384060155509
Energy: 1.7902700757579215
Energy: 1.9364127358221446
Energy: 1.9111488636704432
Energy: 1.8171318131478056
Energy: 1.8647444538626547
Energy: 1.84360578680312
Energy: 1.9602672385840865
Energy: 1.7960009929243306
Energy: 1.9811839902078163
Energy: 1.979897102957965
Energy: 1.894048227183748
Energy: 1.807584940813103
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minimum gb energy = 1.782501289431023 eV
minimum distance =  2.04818024713186 Angstroms
sigma value = 105


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

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Energy: 1.823808881289248
Energy: 1.8297826856503556
Energy: 2.0857743713714014
Energy: 1.8523863053605696
Energy: 1.787049877128705
Energy: 1.7872278445320695
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Energy: 1.8273723030196005
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Energy: 1.8506007968285285
Energy: 1.9014001132451017
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Energy: 1.9014001132451017
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Energy: 2.17396220410901
Energy: 1.8218202358741142
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Energy: 2.0675443971675542
Energy: 1.9101609751896425
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Energy: 1.9627739811280145
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Energy: 1.888164209199796
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Energy: 1.9697933124754987
Energy: 2.1521186899679394
Energy: 1.9102484950228928
Energy: 1.786749045966777
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Energy: 2.055002579928179
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Energy: 2.1521186899679394
Energy: 1.9102484950232095
Energy: 1.7867490459670936
Energy: 1.8518825423982994
Energy: 1.82461636953056
Energy: 1.8710082098589453
Energy: 1.8917739264261797
Energy: 1.8835675495369317
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Energy: 1.891773926426496
Energy: 1.8835675495369317
Energy: 1.8726436670711817
Energy: 1.7992885797436629
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Energy: 1.8205820186082848
Energy: 1.829710557041542
Energy: 1.8726436670705484
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Energy: 1.8158132241273295
Energy: 1.822030371032939
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Energy: 1.8604429920976036
Energy: 2.086324539146931
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Energy: 1.8220303710319892
Energy: 1.8199928709919493
Energy: 1.8604429920976036
Energy: 2.0863245391466143
Energy: 1.8835586656293906
Energy: 2.1279383375230947
Energy: 1.9098799447199524
Energy: 1.7876586486198964
Energy: 1.8388988761210363
Energy: 1.8319937778025264
Energy: 1.883558665629707
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Energy: 1.9098799447202692
Energy: 1.787658648618947
Energy: 1.8692772849109192
Energy: 1.786898356284555
Energy: 1.8717635223486906
Energy: 1.8149261828715253
Energy: 2.077869366756163
Energy: 1.9660185088183324
Energy: 1.869277284907437
Energy: 1.7868983562848717
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Energy: 1.941491766417043
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Energy: 1.7873502959954373
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Energy: 1.94149176641641
Energy: 1.8843316592027461
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Energy: 1.799062351139851
Energy: 1.7993108753579414
Energy: 1.8985675473091652
Energy: 1.8092488547211767
Energy: 1.8458409453470725
Energy: 1.9913041548979957
Energy: 1.7990623511395345
Energy: 1.7993108753576248
Energy: 1.8985675473091652
Energy: 1.8584687747021773
Energy: 1.7993089096832786
Energy: 1.798880135908507
Energy: 2.084250322117555
Energy: 1.8297019201343403
Energy: 1.8734711523401015
Energy: 1.8156123940009523
Energy: 1.7993089096832786
Energy: 1.7988801359081905
Energy: 2.084250322117238
Energy: 1.8297019201343403
Energy: 1.9002429613466951
Energy: 1.8761879927018954
Energy: 1.7897766406403257
Energy: 1.878124327889455
Energy: 1.8950341115143203
Energy: 1.883920952710648
Energy: 1.9002429613476446
Energy: 1.8761879927018954
Energy: 1.7897766406406423
Energy: 1.8781243278891384
Energy: 1.7891926158242335
Energy: 1.8710630748616461
Energy: 2.1499001097903454
Energy: 2.1274181184455827
Energy: 1.993143531307231
Energy: 1.8703477099121886
Energy: 1.7891926158242335
Energy: 1.8710630748613297
Energy: 2.1499001097906616
Energy: 2.1274181184458993
Energy: 1.8722886071098426
Energy: 1.883917474325942
Energy: 1.8819513547648883
Energy: 1.8734234733224415
Energy: 1.7989567914530584
Energy: 1.9100213446485013
Energy: 1.8722886071107925
Energy: 1.883917474325942
Energy: 1.8819513547652051
Energy: 1.873423473322758
Energy: 1.7948727044069759
Energy: 1.8838755784932109
Energy: 1.8243564828264314
Energy: 1.8298871405091872
Energy: 2.0863839008127494
Energy: 1.8524453324529304
Energy: 1.7948727044069759
Energy: 1.8838755784932109
Energy: 1.8243564828267482
Energy: 1.8298871405095039
Energy: 1.799225193195108
Energy: 1.8597113216862708
Energy: 1.787135026469499
Energy: 1.886117688976978
Energy: 1.8156256863119513
Energy: 1.798718533704425
Energy: 1.799225193195108
Energy: 1.859711321685638
Energy: 1.7871350264698156
Energy: 1.886117688976978
Energy: 1.8300180188662665
Energy: 1.8951899052900647
Energy: 1.8504093327034252
Energy: 1.8957849999003278
Energy: 1.8838871510918154
Energy: 1.8947138543986453
Energy: 1.8300180188659498
Energy: 1.8951899052897483
Energy: 1.8504093327034252
Energy: 1.8957849999000114

minimum gb energy = 1.7865973501529615 eV
minimum distance =  2.0482043715588 Angstroms
sigma value = 165


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

Energy: 1.8640808308917152
Energy: 2.1005246780898403
Energy: 1.7999755118211787
Energy: 1.8659004279796572
Energy: 1.7998749405712677
Energy: 2.1005321915755877
Energy: 1.8640808308917152
Energy: 2.1005246780898403
Energy: 1.799975511827699
Energy: 1.7486899594413163
Energy: 1.9085242152854056
Energy: 1.728029645221115
Energy: 1.8009247714455103
Energy: 1.9222275775157924
Energy: 1.7373757261342244
Energy: 1.7282706342198224
Energy: 1.9085242152854056
Energy: 1.728029645221115
Energy: 1.800924771446597
Energy: 1.9222275775168791
Energy: 1.7683627442834313
Energy: 2.0717321002494766
Energy: 1.9186511899335317
Energy: 1.7281543429740396
Energy: 1.7266912105025052
Energy: 1.7724185663109169
Energy: 1.7683627442834313
Energy: 2.0717321002494766
Energy: 1.9186511899335317
Energy: 1.7281543429772994
Energy: 1.8147176817137058
Energy: 1.8925320492060373
Energy: 1.8927509011664712
Energy: 1.7287646136399235
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Energy: 1.7370071878630293
Energy: 1.8147176817137058
Energy: 1.8925320492049507
Energy: 1.8927509011642978
Energy: 1.7287646136388368
Energy: 2.0717327388398754
Energy: 1.7994567842904776
Energy: 1.9038883533143751
Energy: 1.8701033082310043
Energy: 1.72688517940898
Energy: 1.727531207901926
Energy: 2.0717327388398754
Energy: 1.799456784289391
Energy: 1.9038883533133377
Energy: 1.870103308232091
Energy: 1.8317870973303423
Energy: 1.9128614517111027
Energy: 1.8444607498056615
Energy: 1.7986848368100092
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Energy: 1.8011651258988064
Energy: 1.8317870973325159
Energy: 1.9128614517111027
Energy: 1.8444607498045749
Energy: 1.798684836811096
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Energy: 1.7648901367208616
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Energy: 1.7813204709962052
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Energy: 1.8151985810098343
Energy: 1.8150482903761502
Energy: 1.7285376738294411
Energy: 1.7278498521551642
Energy: 1.7277100522275481
Energy: 1.728611739060683
Energy: 1.8076176111151225
Energy: 1.7490984994554155
Energy: 1.7649013798883337
Energy: 1.816396923926322
Energy: 1.7997803623754727
Energy: 1.777249826371656
Energy: 1.8076176111140358
Energy: 1.7490984994554155
Energy: 1.7649013798883337
Energy: 1.8163969239252353
Energy: 1.7986482242544557
Energy: 1.84421546009878
Energy: 1.9128819289537013
Energy: 1.831768481712932
Energy: 1.8003493135117434
Energy: 1.907677916393715
Energy: 1.798648224257716
Energy: 1.8442154600998666
Energy: 1.9128819289537013
Energy: 1.831768481714019
Energy: 1.8700779645066197
Energy: 1.9038852492244682
Energy: 1.7995455669276248
Energy: 2.0717338302801234
Energy: 1.7273817756148018
Energy: 1.7547949999349335
Energy: 1.8700779645066197
Energy: 1.9038852492244682
Energy: 1.7995455669276248
Energy: 2.0717338302801234
Energy: 1.7285715643668207
Energy: 1.892769631563998
Energy: 1.8926053554228681
Energy: 1.8148460897009908
Energy: 1.73704729544367
Energy: 1.747665430073647
Energy: 1.7285715643646475
Energy: 1.892769631566171
Energy: 1.8926053554239548
Energy: 1.8148460897009908
Energy: 1.727952702152676
Energy: 1.9186511899346184
Energy: 2.071742831829651
Energy: 1.7683524915827693
Energy: 1.7724185663098302
Energy: 1.7266666826009671
Energy: 1.7279527021537626
Energy: 1.9186511899346184
Energy: 2.071742831829651
Energy: 1.768352491583856
Energy: 1.922321854999665
Energy: 1.800079496437676
Energy: 1.7281152583735284
Energy: 1.9085812596607168
Energy: 1.728421959835133
Energy: 1.737432735462166
Energy: 1.922321854999665
Energy: 1.8000794964365892
Energy: 1.728115258371355
Energy: 1.9085812596639768
Energy: 1.747712117196306
Energy: 1.7998749405658343
Energy: 2.1005321915755877
Energy: 1.8640808308906285
Energy: 2.100524678088754
Energy: 1.799975511820092
Energy: 1.7477121160481737
Energy: 1.7998749405756147
Energy: 2.1005321915755877
Energy: 1.8640808308917152

minimum gb energy = 1.7266666826009671 eV
minimum distance =  2.09572021138576 Angstroms
sigma value = 41


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

Energy: 1.9482449984948678
Energy: 1.9119239459824815
Energy: 1.6073584008241626
Energy: 1.9158087000036486
Energy: 1.6078656800710243
Energy: 1.8221527962119808
Energy: 1.9482449984940242
Energy: 1.9119239459824815
Energy: 1.6073584008241626
Energy: 1.7920859990044644
Energy: 1.8690060850076746
Energy: 1.884026778199902
Energy: 1.6081709927632495
Energy: 1.8127156483117381
Energy: 1.6447275327704711
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Energy: 1.608170992763671
Energy: 1.8127156483125813
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Energy: 1.898615879384577
Energy: 1.6089831053477446
Energy: 1.6089309113867964
Energy: 1.8035876395358967
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Energy: 1.8046416443476914
Energy: 1.8986158793849988
Energy: 1.6089831053477446
Energy: 1.8936471875099739
Energy: 1.696778534791754
Energy: 1.6071207474392604
Energy: 1.6084335497578728
Energy: 1.8339766256253405
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Energy: 1.893647187509552
Energy: 1.6967785347913322
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Energy: 1.6084335497578728
Energy: 1.834217799680829
Energy: 1.831183740545277
Energy: 1.8461444801050426
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Energy: 1.8337788541564881
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Energy: 1.8401429966956633
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Energy: 1.609280207633223
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Energy: 1.6493050390553716
Energy: 1.7060137368515977
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Energy: 1.6080759020478
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Energy: 1.6840948797652964
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Energy: 1.8828624292288108
Energy: 1.8059868067863407
Energy: 1.6399674178684065
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Energy: 1.8828624292279674
Energy: 1.8059868067863407
Energy: 1.8068439948211856
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Energy: 1.819116200546594
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Energy: 1.6351342517443916
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Energy: 1.7370906257007313
Energy: 1.7332230139152505
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Energy: 1.6451397224928972
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Energy: 1.8060847383339704
Energy: 1.638484019974891
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Energy: 1.7366914235737605
Energy: 1.737255441541903
Energy: 1.805518583274312
Energy: 1.8196448724623129
Energy: 1.8062543626534762
Energy: 1.6073817419777026
Energy: 1.8253460786598266
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Energy: 1.6075382968754428
Energy: 1.7336193431946847
Energy: 1.607857560240071
Energy: 1.6354781057654577
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Energy: 1.6354781057650363
Energy: 1.6374871996671267
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Energy: 1.8045028163080765
Energy: 1.696412350598654
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Energy: 1.8188404286465503
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Energy: 1.8045028163089198
Energy: 1.6964123505982323
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Energy: 1.6098669914372667
Energy: 1.8840072216637767
Energy: 1.8207043605341466
Energy: 1.7213161252128502
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Energy: 1.810246483687525
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Energy: 1.8840072216629333
Energy: 1.8207043605349897
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Energy: 1.6079209953283653
Energy: 1.6114037973432593
Energy: 1.643988120444279
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Energy: 1.8057505875083784
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Energy: 1.6079209953279434
Energy: 1.6114037973441027
Energy: 1.643988120444279
Energy: 1.8045896195488893
Energy: 1.8882515656697394
Energy: 1.6101528403438239
Energy: 1.645214851231459
Energy: 1.7369721023468876
Energy: 1.8077371082693605
Energy: 1.8045896195488893
Energy: 1.8882515656697394
Energy: 1.610152840344207
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Energy: 1.8678809149095665
Energy: 1.9745771550678115
Energy: 1.6093342484318434
Energy: 1.8257585882587317
Energy: 1.6077667469957144
Energy: 1.8830777294457985
Energy: 1.8678809149095665
Energy: 1.9745771550669682
Energy: 1.6093342484314217
Energy: 1.8257585882578882
Energy: 1.8268945715252067
Energy: 1.851912431142215
Energy: 1.6072608698244146
Energy: 1.8836456163529953
Energy: 1.7373677066430846
Energy: 1.8637566888980563
Energy: 1.826894571524785
Energy: 1.8519124311413717
Energy: 1.6072608698252577
Energy: 1.8836456163529953
Energy: 1.681513506545837
Energy: 1.8839369764995375
Energy: 1.6078813210048013
Energy: 1.7963348725614097
Energy: 1.64403107576512
Energy: 1.6425917734110964
Energy: 1.6815135065462588
Energy: 1.8839369765003806
Energy: 1.6078813210048013
Energy: 1.7963348725618313
Energy: 1.8044037475584829
Energy: 1.8040402960628579
Energy: 1.8644932660681353
Energy: 1.6093684536912474
Energy: 1.6449860899068423
Energy: 1.6798483662645278
Energy: 1.8044037475589045
Energy: 1.8040402960632795
Energy: 1.864493266067292
Energy: 1.6093684536912474
Energy: 1.8482040657059597
Energy: 1.8204319501643365
Energy: 1.8336544211232466
Energy: 1.6092400956188113
Energy: 1.8264595268686135
Energy: 1.6095376393851624
Energy: 1.8482040657055383
Energy: 1.8204319501643365
Energy: 1.8336544211232466
Energy: 1.6092400956196544
Energy: 1.8219495937832397
Energy: 1.8332415443964782
Energy: 1.911897791148751
Energy: 1.607384895203517
Energy: 1.928990591977099
Energy: 1.6080548094451086
Energy: 1.821949593782818
Energy: 1.8332415443956351
Energy: 1.911897791147486
Energy: 1.6073848952043603
Energy: 1.610594911358115
Energy: 1.8210549925757853
Energy: 1.9217820600435536
Energy: 1.6081228069810525
Energy: 1.7959986290415153
Energy: 1.6442876058936988
Energy: 1.6105949113564288
Energy: 1.8210549925766284
Energy: 1.921782060043132
Energy: 1.6081228069814741
Energy: 1.8231923092660698
Energy: 1.8045878585403572
Energy: 1.8053339697369029
Energy: 1.9098470232848532
Energy: 1.609155355699382
Energy: 1.6074437323013386
Energy: 1.8231923092660698
Energy: 1.8045878585403572
Energy: 1.8053339697369029
Energy: 1.9098470232856963
Energy: 1.6073109398797807
Energy: 1.8939142740076296
Energy: 1.8211697707296937
Energy: 1.6073748068712788
Energy: 1.6087877848463603
Energy: 1.8187394397476497
Energy: 1.6073109398789376
Energy: 1.8939142740076296
Energy: 1.821169770730115
Energy: 1.6073748068708573
Energy: 1.6080282043064338
Energy: 1.8334235656939155
Energy: 1.8332048390276177
Energy: 1.8467153390788784
Energy: 1.6077223846116047
Energy: 1.9289832820508028
Energy: 1.6080282043064338
Energy: 1.833423565692229
Energy: 1.8332048390276177
Energy: 1.8467153390784568
Energy: 1.647355499271724
Energy: 1.8409089265689218
Energy: 1.8199775530638125
Energy: 1.8940022729425776
Energy: 1.6079030109389707
Energy: 1.827302533149617
Energy: 1.6473554992725672
Energy: 1.8409089265685
Energy: 1.8199775530638125
Energy: 1.8940022729434212
Energy: 1.6091955292934481
Energy: 1.846901882050119
Energy: 1.804741532965053
Energy: 1.8048717769365208
Energy: 1.7911556231207044
Energy: 1.6090449776995916
Energy: 1.6091955292938698
Energy: 1.846901882050119
Energy: 1.804741532965053
Energy: 1.8048717769373643
Energy: 1.8318899831084894
Energy: 1.6072531462359398
Energy: 1.8936961619078763
Energy: 1.7245918194333236
Energy: 1.607028071899314
Energy: 1.6078197192972552
Energy: 1.8318899831089108
Energy: 1.6072531462355184
Energy: 1.8936961619074546
Energy: 1.724591819432902
Energy: 1.8945764442096402
Energy: 1.6081755677996592
Energy: 1.8335704867256457
Energy: 1.8295490571811046
Energy: 1.8458963767282448
Energy: 1.7373993237331513
Energy: 1.8945764442087971
Energy: 1.608175567798816
Energy: 1.8335704867256457
Energy: 1.829549057181526
Energy: 1.8261571106484482
Energy: 1.6108451757130875
Energy: 1.9500395041522853
Energy: 1.8190456858834938
Energy: 1.8844883612680134
Energy: 1.6073844802605957
Energy: 1.82615711064887
Energy: 1.610845175712666
Energy: 1.9500395041522853
Energy: 1.8190456858847586

minimum gb energy = 1.5976730956417313 eV
minimum distance =  2.22883671432634 Angstroms
sigma value = 185


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

Energy: 1.904540844271633
Energy: 1.7401257314916267
Energy: 1.9864257264925673
Energy: 2.0662636419364597
Energy: 1.986493909679447
Energy: 1.7063291035243364
Energy: 1.9045408442711322
Energy: 1.7401257314921272
Energy: 1.9864257264910659
Energy: 2.035387613797216
Energy: 2.0817418605071
Energy: 1.909093244912477
Energy: 1.7480614219808401
Energy: 1.740330111152755
Energy: 1.7354315404884597
Energy: 1.8685117996946317
Energy: 2.081741860506599
Energy: 1.9090932449139784
Energy: 1.7480614219818411
Energy: 1.740330111152755
Energy: 1.73996333985255
Energy: 1.7355591276977618
Energy: 2.0039137340197923
Energy: 1.9863354204592607
Energy: 1.735097397550635
Energy: 1.7794387566523335
Energy: 1.7399633398535508
Energy: 1.7355591276992635
Energy: 2.003913734018791
Energy: 1.9863354204597612
Energy: 1.8808669611654405
Energy: 1.7347412270999718
Energy: 1.7402196357472315
Energy: 1.7551001140075857
Energy: 1.733517377451156
Energy: 1.6861405668321658
Energy: 1.8808669611664415
Energy: 1.7347412270999718
Energy: 1.740219635746731
Energy: 1.7551001140070852
Energy: 1.7387910452723787
Energy: 1.7477684241341769
Energy: 1.7402174846716878
Energy: 1.9672703323789957
Energy: 1.9555365507018758
Energy: 1.6857210238458398
Energy: 1.73879104527388
Energy: 1.747768424133176
Energy: 1.7402174846726888
Energy: 1.9672703323789957
Energy: 1.9012139673340887
Energy: 1.9864835130818919
Energy: 1.835720438196923
Energy: 1.7468228648963706
Energy: 1.7585700357417093
Energy: 1.8815460069659908
Energy: 1.861237431021976
Energy: 1.9864835130813912
Energy: 1.7687381556867656
Energy: 1.7468228648948692
Energy: 1.7468138832602624
Energy: 1.808351009605316
Energy: 1.9864819842323584
Energy: 1.912734556582518
Energy: 1.8993660951254718
Energy: 1.7594714729815377
Energy: 1.7468138832612636
Energy: 1.789749857502278
Energy: 1.9864819842323584
Energy: 1.8970515645010895
Energy: 1.9674085007217497
Energy: 1.7201118422695536
Energy: 1.7480307795170293
Energy: 1.706727433747102
Energy: 1.726503631289604
Energy: 1.9868549529354518
Energy: 1.9674085007217497
Energy: 1.7201118422745583
Energy: 1.7480307795160284
Energy: 1.706727433747102
Energy: 1.7551317884710786
Energy: 1.7403113207962664
Energy: 1.7348969266322756
Energy: 1.9522596704972803
Energy: 1.8174438113820368
Energy: 1.7379585399623083
Energy: 1.7551317884710786
Energy: 1.740311320795766
Energy: 1.7348969266312744
Energy: 1.9522596713692253
Energy: 1.9862487827338762
Energy: 2.0786003534260016
Energy: 1.7357864770362101
Energy: 1.7512359055121425
Energy: 1.7405851490005952
Energy: 1.7350407703802908
Energy: 1.9862487827333757
Energy: 2.0786003534255006
Energy: 1.7357864770367106
Energy: 1.751235905513644
Energy: 1.7403611325677195
Energy: 1.747934901949642
Energy: 1.9470661263129525
Energy: 1.9675131809187665
Energy: 1.8224811109350727
Energy: 1.7356303179070554
Energy: 1.7403611325672192
Energy: 1.747934901949642
Energy: 1.9470661263134528
Energy: 1.9675131809187665
Energy: 2.130339582955887
Energy: 1.986424898798879
Energy: 1.758293509890451
Energy: 1.8115803015027
Energy: 1.8025661100606647
Energy: 1.9864257264915666
Energy: 2.0459518101794516
Energy: 1.986424898798879
Energy: 1.7339373018864472
Energy: 1.8115803014981957
Energy: 1.740330111151754
Energy: 1.7354315404860026
Energy: 1.8224811109355732
Energy: 1.9676930606802874
Energy: 1.9090932449149796
Energy: 1.7480614219808401
Energy: 1.740330111151299
Energy: 1.7354315404850016
Energy: 1.8224811109350727
Energy: 1.9676930606802874
Energy: 1.9862734247941793
Energy: 1.735097397551636
Energy: 1.7388098645749555
Energy: 1.73996333985255
Energy: 1.73551044322459
Energy: 2.0786003534189943
Energy: 1.9862734247936789
Energy: 1.735097397550635
Energy: 1.738809864575456
Energy: 1.7399633398520495
Energy: 1.755084219012107
Energy: 1.706318020081594
Energy: 1.8762564994643045
Energy: 1.8996139208982645
Energy: 1.7347750929481391
Energy: 1.740332470268861
Energy: 1.755084219013108
Energy: 1.7063180200830956
Energy: 1.876256499463804
Energy: 1.8996139208977638
Energy: 1.967270332376994
Energy: 1.9539543760478082
Energy: 1.7266123979061563
Energy: 1.7387910452753814
Energy: 1.7477684241346776
Energy: 1.7402174846716878
Energy: 1.9672703323784952
Energy: 1.9539543760463067
Energy: 1.726612397907157
Energy: 1.7387910452743804
Energy: 1.746822864896871
Energy: 1.7586981246423787
Energy: 1.8995219902576028
Energy: 1.9421586451691764
Energy: 1.986483513079389
Energy: 1.799997752826785
Energy: 1.7468228648958701
Energy: 1.7586981246418782
Energy: 1.8995219902576028
Energy: 1.9421586451696768
Energy: 1.7448876241212117
Energy: 1.8815066372504958
Energy: 1.7594714729845409
Energy: 1.746818386703846
Energy: 1.7826056779237556
Energy: 1.9864801863101016
Energy: 1.744887624122713
Energy: 1.8815066372504958
Energy: 1.7594714729820384
Energy: 1.7468183867033455
Energy: 1.7337048678328495
Energy: 1.6857147403686175
Energy: 1.956022195549878
Energy: 1.9674085007227504
Energy: 1.7416709336468625
Energy: 1.7479886614082483
Energy: 1.733704867832349
Energy: 1.685714740369118
Energy: 1.956022195549878
Energy: 1.9674085007222502
Energy: 1.880852727727156
Energy: 1.6860017700545453
Energy: 1.7379585399623083
Energy: 1.7551317884710786
Energy: 1.7403113207967669
Energy: 1.7348969266307739
Energy: 1.8808527282669574
Energy: 1.6860017700550458
Energy: 1.7379585399623083
Energy: 1.7551317884715791
Energy: 1.7579705499085065
Energy: 1.7405851490035982
Energy: 1.7353421370060034
Energy: 1.9862487827343769
Energy: 2.003913734013786
Energy: 1.7357864770372113
Energy: 1.7579705499080058
Energy: 1.7405851490030975
Energy: 1.735342137007505
Energy: 1.9862487827353776
Energy: 2.0819491420903025
Energy: 1.8685117996951324
Energy: 1.7355990422387957
Energy: 1.7402788196195913
Energy: 1.7479311175860561
Energy: 1.9745575956894734
Energy: 2.081949142090803
Energy: 1.8685117996966336
Energy: 1.7355990422377945
Energy: 1.7402788196195913
Energy: 1.904540844272634
Energy: 1.7401257314916267
Energy: 1.9864257264905654
Energy: 1.9818203520752335
Energy: 1.9864939096799474
Energy: 1.6771433750742835
Energy: 1.904540844273635
Energy: 1.7401257314911263
Energy: 1.9864257264920668
Energy: 1.9818203521242816
Energy: 2.0817418605076
Energy: 1.909093244912477
Energy: 1.7480614219803399
Energy: 1.740330111151299
Energy: 1.735431540487504
Energy: 1.8685117996956329
Energy: 2.0817418605076
Energy: 1.9090932449129774
Energy: 1.7480614219803399
Energy: 1.740330111151754
Energy: 1.7399633398535508
Energy: 1.7355591276992635
Energy: 2.0039137340252973
Energy: 1.9863354204607624
Energy: 1.7350973975501347
Energy: 1.7794387566528342
Energy: 1.739963339854552
Energy: 1.7355591277017202
Energy: 2.0039137340237962
Energy: 1.9863354204592607
Energy: 1.880866961165941
Energy: 1.734741227099471
Energy: 1.740219635746731
Energy: 1.7551001140100884
Energy: 1.7335173774516566
Energy: 1.6861405668326666
Energy: 1.8808669611644397
Energy: 1.7347412271004723
Energy: 1.7402196357492334
Energy: 1.7551001140095879
Energy: 1.73879104527388
Energy: 1.747768424133176
Energy: 1.7402174846736895
Energy: 1.9672703323794962
Energy: 1.9555365507028768
Energy: 1.6857210238403344
Energy: 1.738791045274881
Energy: 1.7477684241336764
Energy: 1.7402174846721883
Energy: 1.9672703323794962
Energy: 1.9257553406954462
Energy: 1.9864835130788885
Energy: 1.7687381556837627
Energy: 1.746822864893868
Energy: 1.7585700357422098
Energy: 1.8815460069669918
Energy: 1.925755340695947
Energy: 1.9864835130778877
Energy: 1.7687381556842632
Energy: 1.7468228648928672
Energy: 1.7468138832597622
Energy: 1.7897498575032793
Energy: 1.986481984232859
Energy: 1.8046836531854575
Energy: 1.8993660951269733
Energy: 1.759471472982539
Energy: 1.7468138832617643
Energy: 1.7897498575017776
Energy: 1.9864819842323584
Energy: 1.8046836531854575
Energy: 1.9674085007237514
Energy: 1.7201118422750588
Energy: 1.7480307795145271
Energy: 1.706727433745646
Energy: 1.7265036312901045
Energy: 1.9868549529344508
Energy: 1.9674085007237514
Energy: 1.7201118422705544
Energy: 1.7480307795140266
Energy: 1.706727433745646
Energy: 1.7551317884715791
Energy: 1.740311320795766
Energy: 1.7348969266307739
Energy: 1.952259677676587
Energy: 1.817443811379034
Energy: 1.7379585399603064
Energy: 1.7551317884720794
Energy: 1.7403113207952652
Energy: 1.734896926629773
Energy: 1.9522596786426245
Energy: 1.9862487827353776
Energy: 2.0786003534239996
Energy: 1.7357864770357097
Energy: 1.751235905511642
Energy: 1.7405851490030975
Energy: 1.7350407703802908
Energy: 1.9862487827338762
Energy: 2.0786003534239996
Energy: 1.7357864770352092
Energy: 1.7512359055141444
Energy: 1.7403611325687205
Energy: 1.7479349019491415
Energy: 1.947066126315455
Energy: 1.9675131809207684
Energy: 1.8224811109325703
Energy: 1.7356303179065549
Energy: 1.7403611325687205
Energy: 1.747934901948641
Energy: 1.9470661263149542
Energy: 1.9675131809217694

minimum gb energy = 1.6771433750742835 eV
minimum distance =  2.02170516371414 Angstroms
sigma value = 33


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

Energy: 2.020815057555141
Energy: 1.954892981552157
Energy: 1.9666045685433764
Energy: 2.00075656578965
Energy: 1.966594753611527
Energy: 1.9248930048494244
Energy: 2.020815057554591
Energy: 1.9548929815524314
Energy: 1.9666045685428268
Energy: 1.9935580613838946
Energy: 2.034937253678995
Energy: 1.9553029413596006
Energy: 1.8402136459962861
Energy: 1.848467677023024
Energy: 1.8102161513868293
Energy: 1.8411837399150794
Energy: 2.034937253678995
Energy: 1.955302941359051
Energy: 1.8402136459968355
Energy: 1.8484676770227495
Energy: 1.8142291344663917
Energy: 1.8037679016640653
Energy: 1.9495425286333976
Energy: 1.9856108102044816
Energy: 1.810220504895552
Energy: 1.8649300093179013
Energy: 1.8142291344661168
Energy: 1.8037679016640653
Energy: 1.9495425286336723
Energy: 1.9856108102044816
Energy: 1.941780374923131
Energy: 1.8034557293322708
Energy: 1.818245291039459
Energy: 1.848343278030625
Energy: 1.8973931217081899
Energy: 1.9942631525506356
Energy: 1.9417803749228562
Energy: 1.803455729331721
Energy: 1.8182452910397338
Energy: 1.8483432780309
Energy: 1.8190217033886398
Energy: 1.8037135051333373
Energy: 1.9454940305543644
Energy: 1.9941805813309483
Energy: 1.898761696774601
Energy: 1.9623043800397955
Energy: 1.8190217033911127
Energy: 1.8037135051333373
Energy: 1.9454940305551887
Energy: 1.9941805813312234
Energy: 1.9693880864438322
Energy: 1.8035030181142289
Energy: 1.8085845968217549
Energy: 1.8644674947852773
Energy: 1.810897711332823
Energy: 1.9856000626536794
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Energy: 1.8035030181145035
Energy: 1.808584596820656
Energy: 1.8644674947852773
Energy: 1.883564070141393
Energy: 1.9818862401260302
Energy: 2.043626973410218
Energy: 1.8578884056337512
Energy: 1.8101764651311847
Energy: 1.8117804091983274
Energy: 1.8835640701422174
Energy: 1.9818862401260302
Energy: 2.043626973410218
Energy: 1.8578884056348501
Energy: 1.9665722390567437
Energy: 1.9581893497230485
Energy: 1.953574329570415
Energy: 1.8951421478373984
Energy: 1.9668494370874163
Energy: 1.9470427935784462
Energy: 1.9665722390572933
Energy: 1.9581893497230485
Energy: 1.9535743295695909
Energy: 1.895142147837948
Energy: 1.8100134650975355
Energy: 1.819364564312032
Energy: 2.0124685421044384
Energy: 1.955853955543067
Energy: 1.839750957830753
Energy: 1.8486495851293152
Energy: 1.810013465098085
Energy: 1.8193645643114824
Energy: 2.0124685421041635
Energy: 1.9558539555433414
Energy: 1.8100665082561656
Energy: 1.865683992803844
Energy: 1.8142792007072694
Energy: 1.802250532384623
Energy: 1.9747173570680052
Energy: 1.9856941291167314
Energy: 1.81006650825644
Energy: 1.8656839928041187
Energy: 1.8142792007075443
Energy: 1.8022505323840738
Energy: 1.9184327186321144
Energy: 1.9581979331596318
Energy: 1.9720576789469322
Energy: 1.803396975891478
Energy: 1.8181744474221595
Energy: 1.8502750050572176
Energy: 1.918432718632664
Energy: 1.9581979331596318
Energy: 1.9720576789466575
Energy: 1.803396975891478
Energy: 1.9055052621472186
Energy: 1.9617915917365578
Energy: 1.8545818611557714
Energy: 1.8021670418508957
Energy: 1.9491058480036392
Energy: 1.994475317274958
Energy: 1.9055052621480428
Energy: 1.9617915917362831
Energy: 1.8545818611554965
Energy: 1.8021670418506206
Energy: 1.810989281859417
Energy: 1.9081167634634681
Energy: 1.968232210035874
Energy: 1.8034881845160036
Energy: 1.8670294297202361
Energy: 1.8647772058516754
Energy: 1.8109892818599669
Energy: 1.9081167634637428
Energy: 1.9682322100364233
Energy: 1.803488184515454
Energy: 1.8104823303318325
Energy: 1.8115965920049037
Energy: 1.8159597862200163
Energy: 2.0000914348795225
Energy: 2.0437922237342487
Energy: 1.848298708225581
Energy: 1.8104823303315578
Energy: 1.8115965920046289
Energy: 1.8159597862178183
Energy: 2.0000914348786982
Energy: 1.9767428525170905
Energy: 1.947195153573832
Energy: 1.9667390097217992
Energy: 1.9583481815906687
Energy: 1.8731105115608793
Energy: 1.8673274055423106
Energy: 1.9767428525170905
Energy: 1.9471951535741068
Energy: 1.9667390097220736
Energy: 1.958348181591493
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Energy: 1.8610889958183052
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Energy: 1.8976300033668212
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Energy: 1.810018067591856
Energy: 1.8625512399836435
Energy: 1.9733210934334968
Energy: 1.9473794004226639
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Energy: 1.810018067591856
Energy: 1.862551239983094
Energy: 1.9733210934340464
Energy: 1.9473794004221143
Energy: 1.9286163097431723
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Energy: 1.864530705838296
Energy: 1.8860009708542902
Energy: 2.0397260091312828
Energy: 2.007913869315489
Energy: 1.9286163097423483
Energy: 1.885230088780321
Energy: 1.864530705838296
Energy: 1.8860009708562135
Energy: 1.8837804121083517
Energy: 1.889544575360887
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Energy: 2.009155174085482
Energy: 2.0066943790422953
Energy: 1.8916298221589787
Energy: 1.8837804121072526
Energy: 1.8895445753611617
Energy: 2.031325394493483
Energy: 2.0091551740852065
Energy: 1.9665664684272632
Energy: 1.9061957628678086
Energy: 1.8684475593189027
Energy: 1.8174197645483092
Energy: 1.817994703671997
Energy: 1.9472065301416361
Energy: 1.9665664684278128
Energy: 1.9061957628678086
Energy: 1.8684475593189027
Energy: 1.817419764547485
Energy: 1.9204826820680514
Energy: 1.9580114811635168
Energy: 1.9481596286163627
Energy: 1.8177264944651284
Energy: 1.8236772478605285
Energy: 1.8015764680953554
Energy: 1.9204826820771181
Energy: 1.9580114811637916
Energy: 1.9481596286166374
Energy: 1.817726494465678
Energy: 1.8966988152580633
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Energy: 1.849060202407141
Energy: 1.8442214380788773
Energy: 1.9685603900575674
Energy: 1.981074241412884
Energy: 1.8966988152542166
Energy: 1.9619819753347532
Energy: 1.8490602024065914
Energy: 1.8442214380777782

minimum gb energy = 1.8015764680953554 eV
minimum distance =  2.11721198729137 Angstroms
sigma value = 219


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

Energy: 1.816737412682576
Energy: 1.8803824003109404
Energy: 1.7164494012482818
Energy: 2.008482888159145
Energy: 1.7164258705019397
Energy: 1.8723445734532487
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Energy: 1.8808141790027109
Energy: 1.9932753416050328
Energy: 1.8824540373079155
Energy: 1.7163678734633119
Energy: 1.7120931759705544
Energy: 1.716396227507866
Energy: 1.7173378454666837
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Energy: 1.872639439534171
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Energy: 1.7175808328218893
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Energy: 1.8802824273959948
Energy: 1.883588309582197
Energy: 1.7173637387912188
Energy: 1.716615766421487
Energy: 1.7173031644461338
Energy: 1.716595635880316
Energy: 1.847046030832681
Energy: 1.8728937606000662
Energy: 1.7173637387894005
Energy: 1.716615766401485
Energy: 1.7173031644461338
Energy: 1.716595635880316
Energy: 1.7167452516246173
Energy: 1.872660399490026
Energy: 1.7178249920372726
Energy: 1.7174322218096822
Energy: 1.717124550805621
Energy: 1.8214735116104255
Energy: 1.7167452516246173
Energy: 1.872660399490026
Energy: 1.7178249920372726
Energy: 1.7174322218096822
Energy: 1.7164165255121553
Energy: 1.7890766145972095
Energy: 1.7163377209913322
Energy: 1.7948687003276718
Energy: 1.9932750271372561
Energy: 1.8808145323100007
Energy: 1.7164165255121553
Energy: 1.7890766145972095
Energy: 1.7163377209913322
Energy: 1.7948687003276718

minimum gb energy = 1.7120931759705544 eV
minimum distance =  2.13361267727791 Angstroms
sigma value = 15


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

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Energy: 1.8998892181715048
Energy: 1.898404382258024
Energy: 1.9915678495288174
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Energy: 2.0097093763916583
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Energy: 1.8980088899373486
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Energy: 1.8984737726194418
Energy: 2.02149460728988
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Energy: 1.8980990789911691
Energy: 1.8999437778801154
Energy: 2.1171085735363286
Energy: 1.929634801651271
Energy: 1.9760915819736993
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Energy: 1.8980990789945227
Energy: 1.8999437778767618
Energy: 2.117108573539621
Energy: 1.8987702054582003
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Energy: 1.8987702054548465
Energy: 1.8981431118479533
Energy: 1.9017963100264483
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Energy: 1.8989552298897532
Energy: 2.161065016671339
Energy: 2.1241203636432857
Energy: 1.9967388103010981
Energy: 1.899346042222216
Energy: 1.897807110108249
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Energy: 2.1610650166679855
Energy: 2.1241203636466395
Energy: 1.9967388103010981
Energy: 2.1263766862528475
Energy: 1.9203808178186
Energy: 1.927246329953901
Energy: 1.8987552812498847
Energy: 2.1212147164838657
Energy: 1.8996082901672104
Energy: 2.1263766862528475
Energy: 1.920380817821954
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Energy: 1.898438834200388

minimum gb energy = 1.8971898463952113 eV
minimum distance =  2.0856610674808 Angstroms
sigma value = 293


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

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Energy: 1.9401999585838026
Energy: 1.955982116722786
Energy: 1.956207740910869
Energy: 2.0025979418660604
Energy: 2.0074968508816733
Energy: 2.039952191172183
Energy: 1.9564092977759209
Energy: 1.9036263950203898
Energy: 2.216650594817461
Energy: 1.9152417285797685
Energy: 1.9100982737129504
Energy: 2.1409202919244277
Energy: 1.9564092977750993
Energy: 1.9036263950212113
Energy: 2.216650594817461
Energy: 1.9152417285793577
Energy: 2.035422554201436
Energy: 1.9132645633604881
Energy: 2.0269119845848778
Energy: 1.9430505295843659
Energy: 2.0042397615431287
Energy: 1.9356092602582584
Energy: 2.0354225542022575
Energy: 1.9132645633600776
Energy: 2.0269119845824135
Energy: 1.9430505295847764
Energy: 2.0516839265664926
Energy: 2.0101713514901163
Energy: 1.9915132347113074
Energy: 1.9125288268999068
Energy: 2.0552796848365866
Energy: 1.9353250303160743
Energy: 2.0516839265644387
Energy: 2.0101713514897055
Energy: 1.98658785499249
Energy: 1.9125288268990854
Energy: 1.9332660299597797
Energy: 1.9139128731603627
Energy: 2.1025163800197206
Energy: 1.960416726881897
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Energy: 2.214602454234553
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Energy: 2.0952281806735202
Energy: 1.9852561745773691
Energy: 1.9231731071201739
Energy: 1.9826517284657141
Energy: 1.9230902688832812
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Energy: 2.095228180673931
Energy: 1.9852561745781905
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Energy: 1.9826517285843772
Energy: 1.9332924565788405
Energy: 2.214536981259849
Energy: 1.9220619136189183
Energy: 1.960413105239495
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Energy: 1.9139251245066784
Energy: 1.9332924565776084
Energy: 2.214536981260671
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Energy: 1.960413105239495
Energy: 2.1182608010186885
Energy: 1.9353353879944664
Energy: 2.055292662751981
Energy: 1.9125590925216387
Energy: 1.9915132347096645
Energy: 2.0101802975570777
Energy: 2.1598631928090803
Energy: 1.9353353879948771
Energy: 2.055292662754035
Energy: 1.912559092521228
Energy: 2.0354304364678004
Energy: 1.9355888018166738
Energy: 2.004937367445586
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Energy: 1.9355888018162628
Energy: 2.0049373674447644
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Energy: 1.956379714867115
Energy: 2.140920291926892
Energy: 1.9099761073906532
Energy: 1.9152271882553071
Energy: 2.216650594834301
Energy: 1.903690339509423
Energy: 1.9563797148675255
Energy: 2.1409202919264816
Energy: 1.9099761073914747
Energy: 1.9152271882540748
Energy: 1.9562248651509166
Energy: 1.9559884815262707
Energy: 1.940196155695204
Energy: 2.039892792046206
Energy: 2.0075055065710616
Energy: 2.0032484538142823
Energy: 1.956224865150095
Energy: 1.9559884815279136
Energy: 1.9401961556976686
Energy: 2.03989279204826
Energy: 1.9119499852394164
Energy: 1.9085391115985362
Energy: 1.9057530931457272
Energy: 2.144181000845534
Energy: 1.9607507325305862
Energy: 2.0771327686677084
Energy: 1.9119499852406485
Energy: 1.9085391115977524
Energy: 1.9057530931453164
Energy: 2.1441810008467663
Energy: 1.9124693978467708
Energy: 2.1113025117059387
Energy: 2.1113068673080644
Energy: 1.9124708067145366
Energy: 1.9600644553926274
Energy: 1.9600931326538706
Energy: 1.9124693978484135
Energy: 2.1113025117067603
Energy: 2.1113068673080644
Energy: 1.9124708067149474
Energy: 2.1441753761460074
Energy: 1.9057497585685603
Energy: 1.9085909806520143
Energy: 1.9119485997978019
Energy: 2.076987325053727
Energy: 1.9606945331835022
Energy: 2.1441753761460074
Energy: 1.9057497585681498
Energy: 1.908590980651193
Energy: 1.9119485997998558
Energy: 2.039952191171361
Energy: 1.9401999585858563
Energy: 1.9559821167207323
Energy: 1.9562077409088152
Energy: 2.0025979418689355
Energy: 2.007496850882905
Energy: 2.0399521911680756
Energy: 1.9401999585854455
Energy: 1.9559821167223752
Energy: 1.9562077409079937
Energy: 1.9152417285764827
Energy: 1.9100982737125396
Energy: 2.1409202919236066
Energy: 1.9564092977746885
Energy: 1.903626395022033
Energy: 2.216650594817872
Energy: 1.915241728575661
Energy: 1.910098273712129
Energy: 2.140920291924017
Energy: 1.9564092977738672
Energy: 1.9430505295847764
Energy: 2.0042397615410747
Energy: 1.935609260257437
Energy: 2.0354225542010256
Energy: 1.913264563359256
Energy: 2.02691198458611
Energy: 1.9430505295839549
Energy: 2.004239761539843
Energy: 1.9356092602570263
Energy: 2.0354225542002036

minimum gb energy = 1.9036263950203898 eV
minimum distance =  2.03716332877188 Angstroms
sigma value = 293


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

Energy: 1.8525804098435452
Energy: 1.8059447610928734
Energy: 1.8087670924981674
Energy: 2.195274600209423
Energy: 1.808775421605717
Energy: 1.900286929113579
Energy: 1.8525804098420604
Energy: 1.8059447610839656
Energy: 1.8087670924981674
Energy: 2.143272641971098
Energy: 1.8083199571198818
Energy: 2.3970968926726903
Energy: 1.8087283449532228
Energy: 1.9618105800397767
Energy: 2.273015767590141
Energy: 1.8063475406035112
Energy: 1.8083199571183974
Energy: 2.3970968926726903
Energy: 1.8087283449524805
Energy: 1.8157091122547708
Energy: 1.8118059362981487
Energy: 1.8513775731947735
Energy: 2.480084193105087
Energy: 1.8518135827929727
Energy: 1.8064846310258549
Energy: 1.8695624632492671
Energy: 1.8118059362974064
Energy: 1.851377573196258
Energy: 2.480084193106572
Energy: 1.8518135828055926
Energy: 2.480198795541185
Energy: 1.8511266036706933
Energy: 1.8117892558996904
Energy: 1.8694900383129658
Energy: 1.8064687820009764
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Energy: 1.8511266036654968
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Energy: 1.8083165436170632
Energy: 1.8063530748898713
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Energy: 2.1991637563833044
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Energy: 2.1311645390744647
Energy: 1.8083165436178055
Energy: 1.8063530748883865
Energy: 1.8087754216064595
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Energy: 1.900286929113579
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Energy: 1.805944761087677
Energy: 2.2730157675886558
Energy: 1.8063475406020264
Energy: 1.808319957120624
Energy: 2.372262325009568
Energy: 1.8087283449532228
Energy: 1.896333514929175
Energy: 2.2730157675893983
Energy: 1.8063475406012843
Energy: 1.8083199571191395
Energy: 2.397096892673433
Energy: 1.8064846310295666
Energy: 1.8695624632500092
Energy: 1.811805936301118
Energy: 1.8513775731970006
Energy: 2.48008419310286
Energy: 1.8518135828189548
Energy: 1.8064846310295666
Energy: 1.8695624632485246
Energy: 1.8118059363018604
Energy: 1.8513775731992277
Energy: 1.8064687819987495
Energy: 1.8517878660692308
Energy: 2.4801987955374734
Energy: 1.851126603667724
Energy: 1.8117892559026598
Energy: 1.8694900383129658
Energy: 1.806468782001719
Energy: 1.8517878661308458
Energy: 2.4801987955382154
Energy: 1.851126603672178
Energy: 2.2730202914733773
Energy: 2.199163756384047
Energy: 1.808719119216806
Energy: 2.195919523457496
Energy: 1.8083165436155784
Energy: 1.8063530748883865
Energy: 2.2730202914733773
Energy: 2.199163756384047
Energy: 1.808719119216806
Energy: 2.1311645390737226
Energy: 1.808767092497425
Energy: 2.104720562113066
Energy: 1.8087754216064595
Energy: 2.009716868570212
Energy: 1.8525804098435452
Energy: 1.8059447610861925
Energy: 1.8087670924959403
Energy: 2.1432726419733257
Energy: 1.808775421605717
Energy: 1.8583596866733023
Energy: 1.8087283449524805
Energy: 2.0659641325981917
Energy: 2.2730157675893983
Energy: 1.8063475406012843
Energy: 1.8083199571213666
Energy: 2.3970968926726903
Energy: 1.8087283449524805
Energy: 1.9821299761863531
Energy: 2.273015767591625
Energy: 1.806347540600542
Energy: 2.480084193105087
Energy: 1.8518135827877762
Energy: 1.8064846310317932
Energy: 1.8695624632492671
Energy: 1.811805936299633
Energy: 1.8513775731970006
Energy: 2.480084193104345
Energy: 1.8518135828055926
Energy: 1.8064846310258549
Energy: 1.8695624632477823
Energy: 1.8117892559034021
Energy: 1.8694900383129658
Energy: 1.8064687820002343
Energy: 1.8517878661404963
Energy: 2.4801987955382154
Energy: 1.8511266036699507
Energy: 1.8117892559011748
Energy: 1.8694900383122233
Energy: 1.806468781998007
Energy: 1.8517878661256493
Energy: 1.8083165436170632
Energy: 1.8063530748883865
Energy: 2.2730202914733773
Energy: 2.1991637563847894
Energy: 1.8087191192160634
Energy: 2.1311645390796614
Energy: 1.8083165436155784
Energy: 1.8063530748883865
Energy: 2.2730202914733773
Energy: 2.0850099520433107
Energy: 1.8525804098435452
Energy: 1.8059447610951007
Energy: 1.8087670924959403
Energy: 2.1432726419740673
Energy: 1.808775421605717
Energy: 1.9002869291143214
Energy: 1.8525804098428027
Energy: 1.8059447610943582
Energy: 1.8087670924959403
Energy: 2.143272641964417
Energy: 1.808319957120624
Energy: 2.3970968926726903
Energy: 1.8087283449524805
Energy: 2.013233110530582
Energy: 2.2730157675893983
Energy: 1.806347540600542
Energy: 1.8083199571213666
Energy: 2.3970968926719483
Energy: 1.8087283449532228
Energy: 1.8157091122592248
Energy: 1.8118059363018604
Energy: 1.851377573196258
Energy: 2.480084193104345
Energy: 1.8518135828033655
Energy: 1.8064846310295666
Energy: 1.8695624632477823
Energy: 1.8118059363018604
Energy: 1.8513775731910618
Energy: 2.4800841931073143
Energy: 1.851813582795942
Energy: 2.4801987955397
Energy: 1.8511266036669816
Energy: 1.8117892558959787
Energy: 1.869490038311481
Energy: 1.806468782002461
Energy: 1.8517878661345575
Energy: 2.4801987955382154
Energy: 1.8511266036684664
Energy: 1.811789255904887
Energy: 1.8694900383122233
Energy: 1.8087191192182903
Energy: 2.1311645390744647
Energy: 1.8083165436170632
Energy: 1.806353074889129
Energy: 2.2730202914726347
Energy: 2.2013793187232116
Energy: 1.808719119216806
Energy: 2.1311645390759497
Energy: 1.8083165436163207
Energy: 1.806353074889129
Energy: 1.808775421605717
Energy: 1.8059457576098867
Energy: 1.8525804098420604
Energy: 1.8059447610884196
Energy: 1.8087670924966825
Energy: 2.1432726419673864
Energy: 1.8087754216049747
Energy: 1.8657741608673752
Energy: 1.8525804098420604
Energy: 1.805944761091389
Energy: 2.2730157675893983
Energy: 1.8063475406020264
Energy: 1.8083199571191395
Energy: 2.397096892673433
Energy: 1.808728344953965
Energy: 2.0132331105298396
Energy: 2.273015767590883
Energy: 1.806347540600542
Energy: 1.8083199571198818
Energy: 2.3970968926719483

minimum gb energy = 1.8059447610839656 eV
minimum distance =  2.15712012455712 Angstroms
sigma value = 15


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

Energy: 2.0240570182798514
Energy: 1.9733852307530166
Energy: 1.8430375772822412
Energy: 2.3270808647535417
Energy: 1.8430386889166501
Energy: 2.004082559942943
Energy: 2.0240570182801876
Energy: 1.9733852307536897
Energy: 1.8430375772819048
Energy: 2.075696194881026
Energy: 2.0138687737230634
Energy: 2.362658881984517
Energy: 1.8443180381701567
Energy: 1.848392417718999
Energy: 1.944715762345779
Energy: 1.8455179969150868
Energy: 2.01386877372239
Energy: 2.36265888198418
Energy: 1.844318038169484
Energy: 1.848392417718999
Energy: 2.058793417802855
Energy: 1.878715589235729
Energy: 2.184043504111655
Energy: 1.835263603931028
Energy: 1.8362842333156786
Energy: 1.922024334551404
Energy: 2.058793417803865
Energy: 1.878715589235729
Energy: 2.184043504110309
Energy: 1.8352636039300187
Energy: 2.024456369193082
Energy: 1.8788556299270593
Energy: 1.9420655444740114
Energy: 1.8400840235767522
Energy: 1.8408920979347825
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Energy: 1.8788556299270593
Energy: 1.9420655444746844
Energy: 1.8400840235770883
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Energy: 1.8558222203966483
Energy: 1.8462229963837458
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Energy: 1.8524531188487412
Energy: 1.8745909688665316
Energy: 2.1247329242492476
Energy: 1.8558222203969845
Energy: 1.8462229963837458
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Energy: 2.096311451951082
Energy: 1.872264284486099
Energy: 1.8387271766313344
Energy: 1.8431342648835467
Energy: 1.908414742939645
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Energy: 1.8722642844857624
Energy: 1.8387271766309978
Energy: 2.236686781833918
Energy: 1.8877545537114115
Energy: 1.8542963725931727
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Energy: 1.8354238820745394
Energy: 2.236686781833581
Energy: 1.8877545537114115
Energy: 1.8542963725938457
Energy: 2.033731935071313
Energy: 1.9318831197650101
Energy: 1.8999594653519596
Energy: 1.9757330094738814
Energy: 1.855343510950047
Energy: 1.8400752606460877
Energy: 1.8362694532656922
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Energy: 1.8999594653512866
Energy: 1.9757330094745544
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Energy: 2.0050404970945035
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Energy: 1.855159557529573
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Energy: 2.0050404970945035
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Energy: 1.843347268280638
Energy: 1.8559416927187178
Energy: 1.98327143697895
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Energy: 1.9617808492106523
Energy: 1.8438089680960328
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Energy: 1.8559416927183812
Energy: 1.98327143697895
Energy: 1.899716031511715
Energy: 1.9617808492079605
Energy: 1.8434237025191422
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Energy: 1.8872894629058208
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Energy: 1.8469879059001248
Energy: 1.8618145176491274
Energy: 1.8434237025191422
Energy: 1.9519845331358332
Energy: 1.8872894629058208
Energy: 2.0142525647198157
Energy: 1.8424722545647807
Energy: 1.8718620837317392
Energy: 2.225222260920051
Energy: 1.8671850900036429
Energy: 1.8539374276145855
Energy: 1.843963050970664
Energy: 1.8424722545647807
Energy: 1.8718620837310664
Energy: 2.2252222609207237
Energy: 1.8671850900039793
Energy: 1.8351472558826638
Energy: 1.8610312933941249
Energy: 2.0525657279695357
Energy: 1.874731870241887
Energy: 1.8947164999408295
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Energy: 1.8610312933937883
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Energy: 1.8747318702415503
Energy: 1.8393228742784453
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Energy: 1.8837412566744882
Energy: 1.9946490821130924
Energy: 1.944586625482297
Energy: 1.8359729031302512
Energy: 1.8393228742781087
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Energy: 1.8837412566741518
Energy: 1.994649082112083
Energy: 1.8352027388445908
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Energy: 1.9831382627614316
Energy: 1.8550983855640317
Energy: 1.8370669487893991
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Energy: 1.900025642712158
Energy: 1.8960761731984397
Energy: 1.9831382627607586
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Energy: 1.8365773857408614
Energy: 2.0790402995423274
Energy: 2.144873376863706
Energy: 1.8478110966482104
Energy: 1.9478083369596226
Energy: 1.8517852675092148
Energy: 1.836577385740525
Energy: 2.079040299543337
Energy: 2.144873376863706
Energy: 1.8656616678994766
Energy: 1.8432052738020095
Energy: 1.9370124265439417
Energy: 1.925579094905937
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Energy: 1.8351275000970644
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Energy: 1.9255790949056006
Energy: 1.8360148356946173
Energy: 1.9446450221563196
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Energy: 1.9084597065817324
Energy: 2.2343228862548474
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Energy: 1.8360148356946173
Energy: 1.9446450221566562
Energy: 1.9053679348586514
Energy: 1.9084597065813957
Energy: 1.8526660881018526
Energy: 1.8359865680172083
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Energy: 1.8791857520362738
Energy: 1.8378353309047826
Energy: 1.852666088102189
Energy: 1.8359865680165353
Energy: 1.8552268431298566
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Energy: 1.8400439111172162
Energy: 1.8413037416346776
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Energy: 1.853782855728391
Energy: 1.8400439111172162
Energy: 1.841303741634035
Energy: 1.8474932267635242
Energy: 2.125844179166671
Energy: 1.8320470070291173
Energy: 1.8456353890826986
Energy: 1.9442281693546077
Energy: 1.8628477608213374
Energy: 2.079899165576139
Energy: 1.8542320741381033
Energy: 1.8320470070291173
Energy: 1.8456353890826986
Energy: 1.9442281693546077
Energy: 1.8628477608210008
Energy: 1.8394409539144487
Energy: 1.8439292093741912
Energy: 1.8939119427133502
Energy: 1.874641095432004
Energy: 1.99251955711276
Energy: 1.8721021545123595
Energy: 1.8394409539144487
Energy: 1.8439292093741912
Energy: 1.8939119427130138
Energy: 1.874641095432004
Energy: 1.950503001443178
Energy: 1.8466549614603955
Energy: 1.8356538925467771
Energy: 2.2389771170568005
Energy: 2.0028774123887207
Energy: 1.8559202367342185
Energy: 1.950503001443514
Energy: 1.8466549614597225
Energy: 1.8356538925461041
Energy: 2.2389771170561277
Energy: 1.8460714119932506
Energy: 1.903595604784208
Energy: 1.846729820893467
Energy: 1.9623846258474926
Energy: 1.8997886555413606
Energy: 2.0823560929261173
Energy: 1.8460714119925776
Energy: 1.903595604784208
Energy: 1.8467298208938037
Energy: 1.9623846258471564
Energy: 1.842491603510842
Energy: 1.8409322044621361
Energy: 1.9637791011618444
Energy: 1.843802870096772
Energy: 1.8874018834883004
Energy: 2.364694712032416
Energy: 1.8424916035111787
Energy: 1.8409322044617995
Energy: 1.9637791011618444
Energy: 1.8438028700964353
Energy: 1.9647204273616488
Energy: 1.8431803320647775
Energy: 1.8618865111001586
Energy: 1.856023364046082
Energy: 2.0428178981003775
Energy: 1.8999794288493705
Energy: 1.9647204273683787
Energy: 1.8431803320647775
Energy: 1.8618865111004952
Energy: 1.856023364046082
Energy: 1.958577921099919
Energy: 1.8918271281707573
Energy: 1.8651713145131512
Energy: 1.8426025743476049
Energy: 2.0115374416499177
Energy: 1.8997796495019752
Energy: 1.958577921100898
Energy: 1.8918271281704209
Energy: 1.865171314513824
Energy: 1.8426025743472683
Energy: 1.8599720811087825
Energy: 1.8387932561122278
Energy: 1.8438976518059973
Energy: 1.8556159886907335
Energy: 1.8577773406442948
Energy: 2.129780201863198
Energy: 1.8599720811094556
Energy: 1.8387932561115548
Energy: 1.8438976518066703
Energy: 1.8556159886900605
Energy: 1.9556828442714052
Energy: 1.8942383142741412
Energy: 1.8352791299837738
Energy: 1.957333789593931
Energy: 1.8578408555184096
Energy: 2.044906597880898
Energy: 1.9556828442710685
Energy: 1.8942383142734682
Energy: 1.8352791299837738
Energy: 1.9573337895966227
Energy: 1.8599608045960832
Energy: 2.0559519658952015
Energy: 1.837913161341025
Energy: 1.8405442367607925
Energy: 2.1324989474807823
Energy: 1.9351578621875862
Energy: 1.8599608045960832
Energy: 2.0559519658952015
Energy: 1.8379131613413615
Energy: 1.8405442367607925
Energy: 1.9733438805062662
Energy: 1.8548431392658224
Energy: 2.1465377051079213
Energy: 1.8426744341148524
Energy: 1.9005760067463027
Energy: 1.9768555676639674
Energy: 1.9733438805072754
Energy: 1.8548431392664955
Energy: 2.146537705108258
Energy: 1.8426744341141794
Energy: 2.2358270445466486
Energy: 1.8586832672223426
Energy: 1.8483728887026096
Energy: 1.8536506127861407
Energy: 1.8367440120593839
Energy: 1.9569282005276472
Energy: 2.235827044546985
Energy: 1.8586832672223426
Energy: 1.8483728887019364
Energy: 1.8536506127861407
Energy: 1.907333841000776
Energy: 1.999623977817253
Energy: 1.8350534977892654
Energy: 1.834282245581588
Energy: 1.898266203072878
Energy: 1.9991255081264863
Energy: 1.9073338410011127
Energy: 1.999623977819945
Energy: 1.8350534977899384
Energy: 1.834282245581588
Energy: 1.907374553222367
Energy: 2.0950919747060888
Energy: 1.8437684904406215
Energy: 1.8341482187567104
Energy: 1.8448509842373955
Energy: 1.9246789501286685
Energy: 1.9073745532220308
Energy: 2.0950919747060888
Energy: 1.843768490440958
Energy: 1.8341482187563736
Energy: 2.23612814446197
Energy: 1.8717024665944324
Energy: 1.8463501350432843
Energy: 1.9537246296367885
Energy: 1.8449084949584524
Energy: 1.854825578525894
Energy: 2.2361281444623065
Energy: 1.871702466594769
Energy: 1.8463501350429479
Energy: 1.9537246296361155
Energy: 2.0964500841319635
Energy: 1.896329063697739
Energy: 1.9004878148781827
Energy: 1.8392214219712137
Energy: 1.9478780401038074
Energy: 1.8585318385861542
Energy: 2.0964500841323
Energy: 1.896329063698412
Energy: 1.9004878148781827
Energy: 1.8392214219712137
Energy: 1.8675582205705705
Energy: 1.934944704333291
Energy: 2.1414434663009425
Energy: 1.832990608510553
Energy: 1.839966361166293
Energy: 2.060025670584273
Energy: 1.8675582205705705
Energy: 1.9349447043336276
Energy: 2.1414434663019524
Energy: 1.8329906085108896
Energy: 1.8749432575499434
Energy: 2.0079118166689573
Energy: 1.8718823183841087
Energy: 1.8926509813409678
Energy: 1.8362485078970685
Energy: 1.8944051214843693
Energy: 1.8749432575499434
Energy: 2.0079118166686207
Energy: 1.8718823183844455
Energy: 1.8926509813423138
Energy: 1.9456681433105805
Energy: 2.147511180523712
Energy: 1.8612197188200206
Energy: 1.8551812977753115
Energy: 1.8432027547318866
Energy: 1.8322275314739682
Energy: 1.9456681433112533
Energy: 2.1475111805240488
Energy: 1.86121971882103
Energy: 1.855181297774302
Energy: 1.9464478010896618
Energy: 1.899761641564784
Energy: 2.165306056708476
Energy: 1.8437998611772801
Energy: 1.8656620558046848
Energy: 1.847412256065132
Energy: 1.9464478010899984
Energy: 1.899761641565457
Energy: 2.165306056708476
Energy: 1.8437998611776167
Energy: 1.9428313077639225
Energy: 1.8873737268841517
Energy: 2.051204846886792
Energy: 1.8555213876371095
Energy: 1.861725607086714
Energy: 1.8432995384927129
Energy: 1.9428313077642592
Energy: 1.8873737268838153
Energy: 2.051204846886792
Energy: 1.8555213876374463
Energy: 1.855360644538763
Energy: 2.3626574201635093
Energy: 1.8881500169343903
Energy: 1.8568030463245178
Energy: 1.8567384528679547
Energy: 1.838246474411457
Energy: 1.8553606445384263
Energy: 2.3626574201631723
Energy: 1.8881500169343903
Energy: 1.8568030463248544
Energy: 1.8429744571605347
Energy: 2.085006163190757
Energy: 1.8997841655407939
Energy: 1.946880357047699
Energy: 1.8469984170969835
Energy: 1.8664904382912448
Energy: 1.8429744571608708
Energy: 2.0850061631897465
Energy: 1.8997841655404573
Energy: 1.9468803570473623
Energy: 1.9547809989009755
Energy: 1.8600916971326276
Energy: 2.1355726201271605
Energy: 2.0515376592217107
Energy: 1.8346616246412286
Energy: 1.8431578285721208
Energy: 1.9547809989009755
Energy: 1.8600916971333008
Energy: 2.135572620127497
Energy: 2.0515376592217107
Energy: 1.839820471312132
Energy: 1.8720463548407693
Energy: 1.9938159870708358
Energy: 1.8747166795327885
Energy: 1.8946711483802572
Energy: 1.835264243742233
Energy: 1.8398204713117958
Energy: 1.872046354840433
Energy: 1.9938159870708358
Energy: 1.874716679532452
Energy: 1.8318760477835567
Energy: 1.9433305311173386
Energy: 1.9970104396826318
Energy: 1.867312283432856
Energy: 2.0596371055542018
Energy: 1.844803098136932
Energy: 1.8318760477842297
Energy: 1.943330531117002
Energy: 1.997010439682295
Energy: 1.8673122834325195
Energy: 1.8395757679633742
Energy: 1.8769238881584966
Energy: 1.8961760372152672
Energy: 2.119082373847649
Energy: 1.8487481428618393
Energy: 1.8415208006277617
Energy: 1.8395757679623645
Energy: 1.8769238881571508
Energy: 1.8961760372145942
Energy: 2.1190823738479856
Energy: 1.853830671233114
Energy: 1.8642547799051337
Energy: 1.883658625403941
Energy: 2.1489515913311075
Energy: 1.8550731508779548
Energy: 1.8361072576524082
Energy: 1.853830671233787
Energy: 1.8642547799054703
Energy: 1.883658625403941
Energy: 2.1489515913304342
Energy: 1.8340584848910912
Energy: 1.8430759501338205
Energy: 2.1158046836316178
Energy: 1.908009820131519
Energy: 1.9236396272841365
Energy: 1.8526444222199125
Energy: 1.8340584848914276
Energy: 1.8430759501334841
Energy: 2.1158046836322906
Energy: 1.9080098201325284

minimum gb energy = 1.8318760477835567 eV
minimum distance =  2.08417681599023 Angstroms
sigma value = 437


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

Energy: 2.0006703772492904
Energy: 2.0183957187005444
Energy: 1.8008547706030138
Energy: 2.6375526439054404
Energy: 1.800813026600207
Energy: 1.8823145219341622
Energy: 2.000670377250516
Energy: 2.0183957187005444
Energy: 1.8008547706030138
Energy: 1.8718172347904922
Energy: 1.8680995169297099
Energy: 2.055814329703378
Energy: 1.801628751398744
Energy: 1.8113944655553564
Energy: 1.93769926160882
Energy: 1.8265094884978315
Energy: 1.8680995169297099
Energy: 2.055814329702152
Energy: 1.8016287513975178
Energy: 1.8113944655541305
Energy: 1.857450346049378
Energy: 1.8433429028907788
Energy: 2.011021473020077
Energy: 1.7976537076219334
Energy: 1.8015131105375461
Energy: 1.8994820963862535
Energy: 1.857450346049378
Energy: 1.8433429028907788
Energy: 2.011021473018851
Energy: 1.7976537076207073
Energy: 1.977742698956098
Energy: 1.845539043220134
Energy: 1.802189848661249
Energy: 1.8110444716420437
Energy: 1.8017534769852965
Energy: 1.8263438761762563
Energy: 1.9777426989536462
Energy: 1.845539043220134
Energy: 1.802189848661249
Energy: 1.8110444716420437
Energy: 1.8104769962234435
Energy: 1.84189060386154
Energy: 1.8013623689318294
Energy: 1.811721712293174
Energy: 1.8785583159332568
Energy: 1.9479957720419643
Energy: 1.8104769962234435
Energy: 2.0711050781627054
Energy: 1.8013623689318294
Energy: 1.811721712293174
Energy: 1.8105695416561047
Energy: 2.210867606786376
Energy: 1.818685982717487
Energy: 1.8529622176376517
Energy: 1.7874132479138234
Energy: 1.8641938133859288
Energy: 1.8105695416561047
Energy: 2.210867606786376
Energy: 1.818685982717487
Energy: 1.8529622176364258
Energy: 2.086601988766593
Energy: 1.8439408952867604
Energy: 1.8807192971958275
Energy: 1.8390994707694228
Energy: 1.8014064332536055
Energy: 1.8434041992187777
Energy: 2.086601988767819
Energy: 1.8439408952867604
Energy: 1.8807192971946016
Energy: 1.8390994707694228
Energy: 1.8591306599943078
Energy: 1.8433277658277798
Energy: 1.8006452681039031
Energy: 1.8110624308885925
Energy: 1.8023406703273717
Energy: 1.8452543710538092
Energy: 1.8591306599955337
Energy: 1.8433277658277798
Energy: 1.8006452681026772
Energy: 1.8110624308873666
Energy: 1.8685254839632812
Energy: 1.828514526013458
Energy: 2.206182793755854
Energy: 1.810755598836499
Energy: 1.8009600442700788
Energy: 2.2000068588362027
Energy: 1.8685254839632812
Energy: 1.8285145260146283
Energy: 2.2061827937570797
Energy: 1.8107555988377249
Energy: 1.8932748957287495
Energy: 1.9227704349551697
Energy: 1.8192416253847692
Energy: 1.8523004094669064
Energy: 1.8020053814898969
Energy: 2.0249076781378545
Energy: 1.8932748957299754
Energy: 1.9227704349551697
Energy: 1.8192416253847692
Energy: 1.8523004094656803
Energy: 2.206062475005623
Energy: 1.9562505507935557
Energy: 1.8027322137109316
Energy: 1.8118310862549967
Energy: 1.859890523601909
Energy: 1.8437969555405265
Energy: 2.206062475005623
Energy: 1.95625055079233
Energy: 1.8027322137109316
Energy: 1.8118310862549967
Energy: 1.8679858782250078
Energy: 1.8433605577414471
Energy: 1.9779144413793026
Energy: 1.797511510597941
Energy: 1.800968428195532
Energy: 1.8434644760652124
Energy: 1.8679858782250078
Energy: 1.8433605577414471
Energy: 1.9779144413793026
Energy: 1.797511510599167
Energy: 1.781963017681434
Energy: 1.8439739453986492
Energy: 1.935652708885964
Energy: 1.8118514875201217
Energy: 1.8013324022247834
Energy: 1.828499046444486
Energy: 1.781963017681434
Energy: 1.8439739453974233
Energy: 1.9356527088847382
Energy: 1.8118514875213476
Energy: 1.846073535408331
Energy: 1.9317023190061493
Energy: 1.8019073031502515
Energy: 1.910693329709772
Energy: 1.8189755423362273
Energy: 1.898348610021889
Energy: 1.8460735354095572
Energy: 1.9317023190049234
Energy: 1.8019073031490254
Energy: 1.910693329709772

minimum gb energy = 1.781963017681434 eV
minimum distance =  2.11178269777432 Angstroms
sigma value = 33