Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614960163831712
cohesive_energy=3.540273359443754
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71519271987346e-19, 3.1480047157822197e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.76381587293756e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61301755425658e-19, 5.639036902792739e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671689262593659e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40835841880722e-19, 2.84831757639252e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84601189592846e-20, -1.210229755318044e-19, -3.02069576044458e-19, -5.43416657660316e-19, -8.71540830126882e-19, -1.3221818476187938e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01544729419384197
Energy: 0.10179045315843839
Energy: 0.10343442235770917
Energy: 0.10312209642486414
Energy: 0.019286753226594736
Energy: 0.016899468685016298
Energy: 0.10169199443312599
Energy: 0.1035379370177304
Energy: 0.10269218731998868
Energy: 0.018635079898585146
Energy: 0.10165156080930526
Energy: 0.10117697732575917
Energy: 0.10236958026499467
Energy: 0.10322071579857853
Energy: 0.10316878770586885
Energy: 0.10192991638354179
Energy: 0.1014181904957705
Energy: 0.10201223642971688
Energy: 0.10319134343067034
Energy: 0.10267207902737352
Energy: 0.10338759335450903
Energy: 0.019309030271946803
Energy: 0.015787999131114408
Energy: 0.10149864847374561
Energy: 0.10362839616258233
Energy: 0.1035225608185038
Energy: 0.01863487182564395
Energy: 0.015867748185873835
Energy: 0.10140307796781191
Energy: 0.10318224411887761
Energy: 0.10263713834128636
Energy: 0.017045108397131747
Energy: 0.01680347939048557
Energy: 0.10108151501113034
Energy: 0.1020549174146165
Energy: 0.10302355132335683
Energy: 0.017642720781157077
Energy: 0.016135866912564793
Energy: 0.10102621751957934
Energy: 0.10199599458900718
Energy: 0.10225470790455038
Energy: 0.10267278773385637
Energy: 0.10374693701336403
Energy: 0.017256410350902848
Energy: 0.016107810232295027
Energy: 0.10200868510346275
Energy: 0.1032301001083858
Energy: 0.10321576797570259
Energy: 0.018310778769646246
Energy: 0.10120703357532204
Energy: 0.10391313008655695
Energy: 0.1025052056645349
Energy: 0.10203129968628954
Energy: 0.016534326263627247
Energy: 0.016050915894222143
Energy: 0.10119703184208821
Energy: 0.1015806459646405
Energy: 0.10260225103849484
Energy: 0.017185651033904095
Energy: 0.016131012197644106
Energy: 0.016089575292540757
Energy: 0.10409033574562404
Energy: 0.10270479122853947
Energy: 0.10331420501741653
Energy: 0.10385332486726885
Energy: 0.020731911324333958
Energy: 0.10428028103707333
Energy: 0.10235452972761781
Energy: 0.10388710143581659
Energy: 0.10345276705208975

minimum gb energy = 0.01544729419384197 eV
minimum distance =  2.52304937328838 Angstroms
sigma value = 3


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

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Energy: 0.6989124324601886
Energy: 0.7515870125226024
Energy: 0.7239735841657784
Energy: 0.6980426925989118
Energy: 0.6983466080836315
Energy: 0.7001432401700387
Energy: 0.7526776052792126
Energy: 0.7527559711824872
Energy: 0.7284102119598492
Energy: 0.5968769405514173
Energy: 0.7955347749482911
Energy: 0.7561859668258868
Energy: 0.8278201050717874
Energy: 0.5683025022956425
Energy: 0.5679307922689096
Energy: 0.8185462809514782
Energy: 0.7520253638506696
Energy: 0.6615264393307868
Energy: 0.5681049599674909
Energy: 0.6207927994066502
Energy: 0.7790326354002172
Energy: 0.6371610087299862
Energy: 0.5654600383792823
Energy: 0.5673921037215868
Energy: 0.5655073900091796
Energy: 0.7760905052987804
Energy: 0.6336971229487987
Energy: 0.5655215933495338
Energy: 0.6034490160858687
Energy: 0.5689381600334336
Energy: 0.8344888961748436
Energy: 0.6403752174060968
Energy: 0.5656752908103582
Energy: 0.5671763212643001
Energy: 0.5659021004337957
Energy: 0.754511311832749
Energy: 0.6413772430044555
Energy: 0.6182107133269444
Energy: 0.6582385007490317
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Energy: 0.7322873077638683
Energy: 0.81012928802049
Energy: 0.6142737406177451
Energy: 0.6555565832148843
Energy: 0.7503790131609832
Energy: 0.6942626754077985
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Energy: 0.6135606303891978
Energy: 0.6205297300216528
Energy: 0.7314209826550384
Energy: 0.730617172936871
Energy: 0.784298669969532
Energy: 0.6144185585415753
Energy: 0.8154189071950858
Energy: 0.7339997907686815
Energy: 0.730992218038679
Energy: 0.739183428552065
Energy: 0.6134895047050832
Energy: 0.7400817325739502
Energy: 0.768794123645563
Energy: 0.7740639840343877
Energy: 0.6909179545414992
Energy: 0.5694218472913627
Energy: 0.7730425900016589
Energy: 0.7730034667631621
Energy: 0.8331986432544036
Energy: 0.6158275155489757
Energy: 0.613622392511178
Energy: 0.76136642930032
Energy: 0.9170799692642381
Energy: 0.7619909322324713
Energy: 0.8026343389803229
Energy: 0.6957381659976907
Energy: 0.7673481731587098
Energy: 0.7676854677740264
Energy: 0.7512453113314115
Energy: 0.6991263552956172
Energy: 0.7805658783466907
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Energy: 0.856081105712804
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Energy: 0.5691455346505571
Energy: 0.8554347599922678
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Energy: 0.7530660828046868
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Energy: 0.6084624940728788
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Energy: 0.6143627463735544
Energy: 0.757122670687161
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Energy: 0.6583076809454911
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Energy: 0.7678775559670017
Energy: 0.7580693178355837
Energy: 0.7498783756084894
Energy: 1.1006384261616724
Energy: 0.7545343977970674
Energy: 0.7690070863348348
Energy: 0.770444202776076
Energy: 0.7475481144223551
Energy: 0.7559427038876126
Energy: 0.7537210500916204
Energy: 0.769062734733713
Energy: 0.7560009673048196
Energy: 0.752225738935995
Energy: 0.6120091287545573
Energy: 0.854585474181758
Energy: 0.7709790107641502
Energy: 0.8558798712365516
Energy: 0.6147783796157543
Energy: 0.6515003231088335
Energy: 0.8189018901723841
Energy: 0.7714688259482056
Energy: 0.8456085681057847
Energy: 0.6141598234123059
Energy: 0.612362558811377
Energy: 0.6800652481771264
Energy: 0.6364147876669837
Energy: 0.6172599623995915
Energy: 0.7500138748660619
Energy: 0.6593876017742405
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Energy: 0.6173573654244775
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Energy: 0.6463067873682211
Energy: 0.6049050534731903
Energy: 0.6381057019796452
Energy: 0.719145714338912
Energy: 0.6747075018697724
Energy: 0.6463682968071759
Energy: 0.6042531227094059
Energy: 0.6417113036079155
Energy: 0.6165034284268993
Energy: 0.7050942023404552
Energy: 0.811832446020295
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Energy: 0.7884258786169241
Energy: 0.6148070502011237
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Energy: 0.8654383677051727
Energy: 0.7540452264638278
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Energy: 0.7308956439503267
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Energy: 0.7386867917130977
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Energy: 0.7916621350656379
Energy: 0.7650987363642548
Energy: 0.737287436868093
Energy: 0.7711872118768157
Energy: 0.7616311842451918
Energy: 0.6558091609591904
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Energy: 0.7534413211438741
Energy: 0.7651762642258824
Energy: 0.7679459795026521
Energy: 0.6510505281829196
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Energy: 0.9152606935489112
Energy: 0.7544106273704234
Energy: 0.782888305152446
Energy: 0.709484545065117
Energy: 0.7492484364017467
Energy: 0.7687587072470203
Energy: 0.7446261476543551
Energy: 0.7454159351507916
Energy: 0.8276755991828285
Energy: 0.766926182532769
Energy: 0.8518212072514033
Energy: 0.6666530779224927
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Energy: 0.6489972817461973
Energy: 0.7552430757709124
Energy: 0.8539952152768818
Energy: 0.6763283159676616
Energy: 0.6831656681029036
Energy: 0.6778643443968235
Energy: 0.7712405857247444
Energy: 0.6975982815215652
Energy: 0.5908801017978991
Energy: 0.6152450984743446
Energy: 0.6365396901903316
Energy: 0.6344603570236853
Energy: 0.6570192199513595
Energy: 0.616551241889744
Energy: 0.6152778903533213
Energy: 0.6564670428396174
Energy: 0.6342635354227867
Energy: 0.654222251757124
Energy: 0.6171039431817671
Energy: 0.6153942815481973
Energy: 0.6513801629406651
Energy: 0.6420259300523526
Energy: 0.6663505626414734
Energy: 0.7432880225429921
Energy: 0.6158236825521796
Energy: 0.6895295035187129
Energy: 0.6345079113209315
Energy: 0.7501310110658753
Energy: 0.6205606823355151
Energy: 0.6180920437013867
Energy: 0.8106547056271936
Energy: 0.7478270764304223
Energy: 0.5678567453183602
Energy: 0.5706587880883413
Energy: 0.6185025323422887
Energy: 0.8519959558980696
Energy: 0.7539838826924222
Energy: 0.8895608163544106
Energy: 0.7664894942260247
Energy: 0.7281040798627796
Energy: 0.7313574057789437
Energy: 0.7723535378622542
Energy: 0.7475515179612782
Energy: 0.6059862315931489
Energy: 0.6683676261648106
Energy: 0.7819454392761395
Energy: 0.7307975743072059
Energy: 0.5920386408525552
Energy: 0.5678510095266097
Energy: 0.7524764715308933
Energy: 0.7548806792929553
Energy: 0.701122440823469
Energy: 0.5707927690134258
Energy: 0.5682290990274292
Energy: 0.7418576502862656
Energy: 0.742982346477555
Energy: 0.7462047377525194
Energy: 0.6964986727879999
Energy: 0.7396608879426456
Energy: 0.7526416314399754
Energy: 0.7015130685511975
Energy: 0.6979409481118479
Energy: 0.695293344483229
Energy: 0.699982896484274
Energy: 0.7515367219412469
Energy: 0.7348588942972777
Energy: 0.6932029114113071

minimum gb energy = 0.5654600383792823 eV
minimum distance =  2.25577978685433 Angstroms
sigma value = 75


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

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Energy: 0.8325652740437876
Energy: 0.7508930483038793
Energy: 0.7682482007415203
Energy: 0.8255031789250074
Energy: 0.8240353366423591
Energy: 0.8444100688410862
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Energy: 0.800012578642966
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Energy: 0.7528823205845268
Energy: 0.7536930685665088
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Energy: 0.779610557565166
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Energy: 0.6869396284690436
Energy: 0.7879192464629866
Energy: 0.8758600064852318
Energy: 0.8580108573153247
Energy: 0.774515001258447
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Energy: 0.6882695408064403
Energy: 0.874524165853033
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Energy: 0.7594782994732355
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Energy: 0.747277615195199
Energy: 0.7350665199398491
Energy: 0.6881554810717647
Energy: 0.6878118470972524
Energy: 0.7523300620452048
Energy: 0.7037816300987234
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Energy: 0.7257856575740456
Energy: 0.774474867029236
Energy: 0.7668867231906612
Energy: 0.7086641508355603
Energy: 0.6947095047379384
Energy: 0.8578866792997567
Energy: 0.7924164510080804
Energy: 0.6858144804296925
Energy: 0.7215096834876787
Energy: 0.7062518419420521
Energy: 0.8536719842504601
Energy: 0.7722149911425944
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Energy: 0.7307148353071146
Energy: 0.8877668007597757
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Energy: 0.7538299295466634
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Energy: 0.8861286868500401
Energy: 0.7819736369039286
Energy: 0.729534222352852
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Energy: 0.7633499623908053
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Energy: 0.7792969810300379
Energy: 0.6801445237131187
Energy: 0.7305676562047293
Energy: 0.7473948185379823
Energy: 0.7907326748469573
Energy: 0.6896376332305632
Energy: 0.7376010943460619
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Energy: 0.734903208485828
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Energy: 0.7643698370421796
Energy: 0.7535277479976193
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Energy: 0.8397042142362902
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minimum gb energy = 0.6565374556068622 eV
minimum distance =  2.346910102944 Angstroms
sigma value = 105


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

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Energy: 0.7880436889913678
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Energy: 0.7449992073906544
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Energy: 0.84923856280355
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Energy: 0.7562060709620795
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Energy: 0.721368529042023
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Energy: 0.8020015100691982
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Energy: 0.8467757743913715
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Energy: 0.8712224157913518
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Energy: 0.7318448341615758
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Energy: 0.7091191788215366
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Energy: 0.7559936532570146
Energy: 0.8496436647599542
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Energy: 0.7541504376540424
Energy: 0.8469753355967576
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Energy: 0.8041603744503317
Energy: 0.7991773001824466
Energy: 0.7876687609931802
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Energy: 0.762059387038636
Energy: 0.8328164017905934
Energy: 0.7749057811023864
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Energy: 0.7798929525847433
Energy: 0.8270554033871539
Energy: 0.7151430159831171
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Energy: 0.781338180681064
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Energy: 0.837333923686062
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Energy: 0.7876808641487446
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Energy: 0.7204518848095258
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Energy: 0.7662890421222824
Energy: 0.7669003341676393
Energy: 0.7381524240209615
Energy: 0.7979139592063148
Energy: 0.7970327516655543
Energy: 0.7651416429626401
Energy: 0.7675762182114262
Energy: 0.7379668756401067
Energy: 0.7985696760274119
Energy: 0.8437702005318756
Energy: 0.7995846321148987
Energy: 0.7541582039203997
Energy: 0.7640213422480071
Energy: 0.7879903467235864
Energy: 0.8395337049900011
Energy: 0.7965204683827375
Energy: 0.7457831811078998
Energy: 0.7679050348547992
Energy: 0.8082834438638563
Energy: 0.7668941776133098
Energy: 0.7688478597966433
Energy: 0.7731140971584097
Energy: 0.7607672054442522
Energy: 0.8325316648777683
Energy: 0.7636552501958156
Energy: 0.7492104560010386
Energy: 0.7503497490410097
Energy: 0.7491937493082902
Energy: 0.7414414969133478
Energy: 0.7679964471292545
Energy: 0.7297380785270567
Energy: 0.801351261847875
Energy: 0.7773671973461573
Energy: 0.7089565796358085
Energy: 0.7610776996787703
Energy: 0.7069419884548936
Energy: 0.7961876513902026
Energy: 0.76993650889721
Energy: 0.777415254468269
Energy: 0.863001906699192
Energy: 0.7213480923997797
Energy: 0.8025371540961087
Energy: 0.7925814750239201
Energy: 0.7182509433052541
Energy: 0.7696167866180983
Energy: 0.7222064416725973
Energy: 0.7754651338017938
Energy: 0.7532678560010214
Energy: 0.7547600275663446
Energy: 0.8658079682644777
Energy: 0.7999964229827952
Energy: 0.821627782906744
Energy: 0.828631615972153
Energy: 0.8033912970737364
Energy: 0.8755402816228471
Energy: 0.7992383362023522
Energy: 0.8328549312861567
Energy: 0.8239008607675321
Energy: 0.805937960981256
Energy: 0.8193870501009932
Energy: 0.870785255183284
Energy: 0.7167519422449645
Energy: 0.717383792677283
Energy: 0.8237751345504775
Energy: 0.7241301134824124
Energy: 0.7975833791561938
Energy: 0.7063955472910914
Energy: 0.7095858094928892
Energy: 0.8397943458327382
Energy: 0.7388243916620868
Energy: 0.7076164646899978
Energy: 0.7166706346315526
Energy: 0.7060252371011251
Energy: 0.7067166445602986
Energy: 0.7010286867965102
Energy: 0.7062569589408692
Energy: 0.7155095252306644
Energy: 0.7059242432167113
Energy: 0.7644749151238389

minimum gb energy = 0.7010286867965102 eV
minimum distance =  2.29376900227303 Angstroms
sigma value = 165


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

Energy: 1.0005965425368544
Energy: 0.7703958408218746
Energy: 0.6916226506675052
Energy: 0.76832886356849
Energy: 0.8148642197884651
Energy: 0.8078156710495732
Energy: 0.6940424534563943
Energy: 0.6917057401519128
Energy: 0.7694137272755228
Energy: 0.8150421691469638
Energy: 0.8337866753055914
Energy: 0.7605851050557256
Energy: 0.692788128165304
Energy: 0.7608406040437224
Energy: 0.8345934809558088
Energy: 0.7603177847812052
Energy: 0.7598463390606535
Energy: 0.7641590679970146
Energy: 0.7622488975417442
Energy: 0.8371406437577091
Energy: 0.7645576845811863
Energy: 0.8259742346904735
Energy: 0.7665882382571817
Energy: 0.7687013909518658
Energy: 0.8299940323199714
Energy: 0.7650166577029639
Energy: 0.8252188921658705
Energy: 0.77211049796516
Energy: 0.7684205845149417
Energy: 0.7679672708978833
Energy: 0.8161237579319216
Energy: 0.7648045802587219
Energy: 0.7628848216983013
Energy: 0.6931703475068998
Energy: 0.6825559779062864
Energy: 0.8370220667655375
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Energy: 0.7611553563290644
Energy: 0.6926633593144299
Energy: 0.8310597741361263
Energy: 0.7611172639903703
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Energy: 0.7605615076159241
Energy: 0.7605436885842985
Energy: 0.7634886237310251
Energy: 0.7657781830292707
Energy: 0.687462306980022
Energy: 0.7601310794859935
Energy: 0.7606044192442665
Energy: 0.7637188416612491
Energy: 0.8296158445884051
Energy: 0.7568515242760945
Energy: 0.7622446655365016
Energy: 0.6838228771189585
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Energy: 0.6952933653842952
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Energy: 0.6811556545425853
Energy: 0.760330227054551
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Energy: 0.7621669979804235
Energy: 0.7602982257467445
Energy: 0.6831472084313789
Energy: 0.6864264541869296
Energy: 0.8342929708884721
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Energy: 0.759098228163603
Energy: 0.8303253171925135
Energy: 0.6871051968445422
Energy: 0.7652664872439799
Energy: 0.6918563021945894
Energy: 0.7590955666836444
Energy: 0.8223109529034901
Energy: 0.8305641428556823
Energy: 0.7695807946931597
Energy: 0.7687188239882609
Energy: 0.7646316119935702
Energy: 0.7598116311509572
Energy: 0.827191770341616
Energy: 0.7688155711599672
Energy: 0.7700016352303314
Energy: 0.7654346774660271
Energy: 0.7593654103963132
Energy: 0.8317754987313797
Energy: 0.769140211248176
Energy: 0.7713084476769984
Energy: 0.8249262668623346
Energy: 0.8124938518086585
Energy: 0.768897954782665
Energy: 0.768523044285747
Energy: 0.7692344189097281
Energy: 0.8240845174707341
Energy: 1.0036081956771585
Energy: 0.7702363023403456
Energy: 0.7614958629187754
Energy: 0.7677140646019962
Energy: 0.7666120891015628
Energy: 0.6841056637206049
Energy: 0.7693954099137683
Energy: 0.7612356708220865
Energy: 0.7670366727828946
Energy: 0.763753495903677
Energy: 0.7680631088399403
Energy: 0.8167789351255736
Energy: 0.7609366320628171
Energy: 0.6949846464795111
Energy: 0.7610859184687923
Energy: 0.6918004039399135
Energy: 0.8159996669533538
Energy: 0.7617255992022117
Energy: 0.7630157839362303
Energy: 0.7600323930195254
Energy: 0.6921544805796976
Energy: 0.830307665122138
Energy: 0.7620840530879831
Energy: 0.6948643553272554
Energy: 0.6856112317770788
Energy: 0.7625668091489328
Energy: 0.8306238645938661
Energy: 0.7636906745567718
Energy: 0.6940491392929726
Energy: 0.6832464121780835
Energy: 0.7613656205090018
Energy: 0.7555361933888357
Energy: 0.7659222239319207
Energy: 0.7687252692609715
Energy: 0.693738402372069
Energy: 0.7602182538948411
Energy: 0.7519808711892764
Energy: 0.7632827428602991
Energy: 0.7686582331934321
Energy: 0.6938298925213524
Energy: 0.759805810428112

minimum gb energy = 0.6811556545425853 eV
minimum distance =  2.31207615820347 Angstroms
sigma value = 41


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

Energy: 0.6450877305407979
Energy: 0.642086649864636
Energy: 0.6298475886309874
Energy: 0.6374214454063157
Energy: 0.6216999191536371
Energy: 0.6452025070784456
Energy: 0.6477081740008743
Energy: 0.6343025086770966
Energy: 0.6494376948749429
Energy: 0.7265842017863442
Energy: 0.7236531865644151
Energy: 0.7087527216905535
Energy: 0.6375025913050586
Energy: 0.6375443013353975
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Energy: 0.7269269605096487
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Energy: 0.7043069904085911
Energy: 0.6780106372105001
Energy: 0.7083007811932338
Energy: 0.6966747175228993
Energy: 0.678397791279877
Energy: 0.6685665121455971
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Energy: 0.6461150557188432
Energy: 0.7238528280581755
Energy: 0.6403578762289683
Energy: 0.7066826255310185
Energy: 0.6926239926585489
Energy: 0.7653889792277074
Energy: 0.7246550397353547
Energy: 0.646958634152354
Energy: 0.6777355650805659
Energy: 0.6841902044982883
Energy: 0.7950201514400611
Energy: 0.732657403208617
Energy: 0.669554543965975
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Energy: 0.720696950594708
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Energy: 0.6768397528877844
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Energy: 0.72360656355449
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Energy: 0.735787969986974
Energy: 0.6337551165008404
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Energy: 0.7426912828892895
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Energy: 0.7021577379315751
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Energy: 0.6720315906327267
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Energy: 0.71012610961995
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Energy: 0.6471901501936864
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Energy: 0.6633176712110569
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Energy: 0.6579846877318444
Energy: 0.6577774965398612
Energy: 0.7077243582037005
Energy: 0.7217145369777654
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Energy: 0.6754555004618886
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Energy: 0.707720501761719
Energy: 0.6770889188044291
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Energy: 0.6973740666264637
Energy: 0.6921143489313478
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Energy: 0.7292859419526854
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Energy: 0.7127932547069284
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Energy: 0.7319413088024528
Energy: 0.728376886768947
Energy: 0.7120001867711565
Energy: 0.7209679984148525
Energy: 0.6761568401851761
Energy: 0.7029410013854259
Energy: 0.6976540390873762
Energy: 0.631136563466326
Energy: 0.7318713160738802
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Energy: 0.7022666978060292
Energy: 0.698306708163645
Energy: 0.6536421310579905
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Energy: 0.7326420609723617
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Energy: 0.6761350361892574
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Energy: 0.7220083980167529
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Energy: 0.6597711303842996
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Energy: 0.6290017041653226
Energy: 0.6300592147246314
Energy: 0.6482992252680675
Energy: 0.676732183008111
Energy: 0.7569296036141259
Energy: 0.6519373308199768
Energy: 0.6475550219899198
Energy: 0.6483529955688295
Energy: 0.6395285633128206
Energy: 0.6658470234183105
Energy: 0.6319553716840198
Energy: 0.6363562361557723
Energy: 0.6302754595321529
Energy: 0.6388459585491119
Energy: 0.7213117495489042
Energy: 0.6334349974780935
Energy: 0.6566449595371493
Energy: 0.6425154832485294
Energy: 0.6937830223272511
Energy: 0.7422951894025386
Energy: 0.6382546308338994
Energy: 0.6325438002804327
Energy: 0.6277535629442181
Energy: 0.7067257551559887
Energy: 0.7226382445447382
Energy: 0.6482024312101036
Energy: 0.6499953166908744
Energy: 0.6464256313061834
Energy: 0.6450522343813684
Energy: 0.6831064646567611
Energy: 0.6505135537337252
Energy: 0.6512971245351866
Energy: 0.6530616161013062
Energy: 0.7722528411773311
Energy: 0.6382203705658805
Energy: 0.6399587718391248
Energy: 0.6376024554347555
Energy: 0.7112515836696142

minimum gb energy = 0.6216999191536371 eV
minimum distance =  2.35604199748992 Angstroms
sigma value = 185


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

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Energy: 0.4222726105827762
Energy: 0.45514564950140685
Energy: 0.4136007726349171
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Energy: 0.33441356864215116
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Energy: 0.44386096805433173
Energy: 0.4630546859218555
Energy: 0.3196412417521944
Energy: 0.33740652271612953
Energy: 0.44829152437730957
Energy: 0.4384489947179637
Energy: 0.4382412243733015
Energy: 0.3383441394810942
Energy: 0.3409151865653883
Energy: 0.4352596276779212
Energy: 0.45416361353600426
Energy: 0.4895688182760977
Energy: 0.48022924083156265
Energy: 0.4635457411398083
Energy: 0.4645576952526688
Energy: 0.4983487522029718
Energy: 0.4211300411902707
Energy: 0.4207149036939094
Energy: 0.4131338465557787
Energy: 0.42483763679369513
Energy: 0.42825544818978245
Energy: 0.503970843283215
Energy: 0.417607619132878
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Energy: 0.4192085422048705
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Energy: 0.4351398234645159
Energy: 0.40995711478991403
Energy: 0.4131988279594558
Energy: 0.4124941337353556
Energy: 0.47010184006817823
Energy: 0.4206146961930459

minimum gb energy = 0.2485929263218386 eV
minimum distance =  2.38371905108073 Angstroms
sigma value = 33


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

Energy: 0.6444494193443739
Energy: 0.5819706499500094
Energy: 0.599917943947371
Energy: 0.6097049379065849
Energy: 0.5983694363869765
Energy: 0.597026179708073
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Energy: 0.6261600985235386
Energy: 0.6303599375364285
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Energy: 0.6134922719308978
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Energy: 0.5867035556012267
Energy: 0.6461233177620522
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Energy: 0.604046298635926
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Energy: 0.5865635010577065
Energy: 0.6022805865982048
Energy: 0.6021491004187007
Energy: 0.6019788688787305
Energy: 0.5967785750023797
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Energy: 0.6101973063616677
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Energy: 0.598638941221317
Energy: 0.5936335060768289
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Energy: 0.5974372424966097
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Energy: 0.59365274413594
Energy: 0.6074073506286515
Energy: 0.6185403231506781
Energy: 0.6205027180272085

minimum gb energy = 0.55926442681013 eV
minimum distance =  2.33463535016536 Angstroms
sigma value = 219


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

Energy: 0.7809572048694918
Energy: 0.8184100268126179
Energy: 0.79772199574324
Energy: 0.7620858180066317
Energy: 0.833290206600708
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Energy: 0.7550123162153473
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Energy: 0.8165304967228283
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Energy: 0.7910068603395976
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Energy: 0.8182792759933323
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Energy: 0.8059002336358797
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Energy: 0.7299009396090683
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Energy: 0.8482421795616144
Energy: 0.7419673556882285
Energy: 0.8170755922988862
Energy: 0.853838190568491
Energy: 0.7769423066329145
Energy: 0.7622690442217278
Energy: 0.8174797184461701
Energy: 0.8169298034606284
Energy: 0.817819223770544
Energy: 0.7784922047712789
Energy: 0.7973721961795448
Energy: 0.8165792361386792
Energy: 0.8151003804476886
Energy: 0.8329047375402262
Energy: 0.7974436751387787
Energy: 0.7654359174092171
Energy: 0.7657403031409016
Energy: 0.8208095621710243
Energy: 0.8441264988715352
Energy: 0.8011540180797607
Energy: 0.7632090026788052
Energy: 0.7620949426357234
Energy: 0.8194054178875888

minimum gb energy = 0.7213425033051231 eV
minimum distance =  2.35256869393128 Angstroms
sigma value = 15


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

Energy: 0.9259688851386141
Energy: 0.8926798288336119
Energy: 0.9445963420123923
Energy: 0.881244656988482
Energy: 0.8980425111766469
Energy: 0.9106131628031536
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Energy: 0.9030420435887266
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Energy: 0.9079058874714373
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Energy: 0.9042478767889527
Energy: 0.8706383913182779
Energy: 0.8714533758032258
Energy: 0.9567038289225669
Energy: 0.8802384004652666
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Energy: 0.8719930908021721
Energy: 0.895060531941313
Energy: 0.9078463491709647
Energy: 0.9089959545423685
Energy: 0.9264996076019052
Energy: 0.9025104460664304
Energy: 0.889335198365766
Energy: 0.9337526727721651
Energy: 0.890502216736549
Energy: 0.9423537907935866
Energy: 0.8654516937344129
Energy: 0.8924341153640467
Energy: 0.8823679973626777
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minimum gb energy = 0.8533501059104397 eV
minimum distance =  2.3002754032678 Angstroms
sigma value = 293


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

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Energy: 0.954358244506469
Energy: 0.8762805050097207
Energy: 0.9197970708403109
Energy: 0.877229169780166
Energy: 0.917544299196742
Energy: 0.9507705877893176
Energy: 0.8768589442133742
Energy: 0.8962679034185025
Energy: 0.9185365347705257
Energy: 0.9231447429218885
Energy: 0.8783344731854019
Energy: 0.877934891045627
Energy: 0.924161064792052
Energy: 0.9190195552035821
Energy: 0.9235572989206433
Energy: 0.876708699191306
Energy: 0.8782751737675617
Energy: 0.9225888017809727
Energy: 0.8457871156752215
Energy: 0.9313852041572888
Energy: 0.8766249287777422
Energy: 0.8765543604416718
Energy: 0.9009948093621383
Energy: 0.8493381186331639
Energy: 0.8996997662501799
Energy: 0.8770007361891788
Energy: 0.8775462348143326
Energy: 0.9054426298470706
Energy: 0.9052779668267492
Energy: 0.879138105130186
Energy: 0.8757008418487924
Energy: 0.8780802594738729
Energy: 0.8764149986227281
Energy: 0.9049341277377287
Energy: 0.8794072774384792
Energy: 0.8756029317200932
Energy: 0.8773231276878644
Energy: 0.8786539851965313
Energy: 0.8869503896642628
Energy: 0.8744155889884461
Energy: 0.8944124548357749
Energy: 0.9281893198866494
Energy: 0.9116582457401218
Energy: 0.9177340437270104
Energy: 0.8744013374588642
Energy: 0.8965234639070566
Energy: 0.8837134896498767
Energy: 0.918351541018823
Energy: 0.8902059078855331
Energy: 0.8554960562313776
Energy: 0.8469854059968426
Energy: 0.9247523854767008
Energy: 0.9071924096888464
Energy: 0.890670747803562
Energy: 0.8543898647010545
Energy: 0.8471438170068853
Energy: 0.9236012991997983
Energy: 0.9134397530562158
Energy: 0.8963964045244143
Energy: 0.8480404668202993
Energy: 0.9290145591077509
Energy: 0.8773451348650027
Energy: 0.8871867767353797
Energy: 0.898851992494154
Energy: 0.8473259755005128
Energy: 0.8542519598853998
Energy: 0.8779734440022311
Energy: 0.8787905864491101
Energy: 0.8772688338436956
Energy: 0.8803158610315304
Energy: 0.9131843967198559
Energy: 0.8774592515698687
Energy: 0.8762955574060025
Energy: 0.8749609820447843
Energy: 0.8978593006113657
Energy: 0.9118394005992786
Energy: 0.8756090921440183
Energy: 0.8772539598925915
Energy: 0.9309158535609383
Energy: 0.8723261098022702
Energy: 0.9008672167051471
Energy: 0.8789808699469411
Energy: 0.9104056499607391
Energy: 0.8704037122708262
Energy: 0.8700370398630257
Energy: 0.9014653780712136
Energy: 0.8789464640744326
Energy: 0.910592947046102
Energy: 0.8795238359612555
Energy: 0.9225320355349884
Energy: 0.9258036902757691
Energy: 0.8970612796966831
Energy: 0.9035756536298242
Energy: 0.8860043636731624
Energy: 0.9240986112256347
Energy: 0.9263017020820117
Energy: 0.8961510644565577
Energy: 0.8813802676147628
Energy: 0.9018248185500406
Energy: 0.9276790324270322
Energy: 0.9224068074526302
Energy: 0.9031843541088886
Energy: 0.9222046534569924
Energy: 0.9009997791057567
Energy: 0.9251936097694683
Energy: 0.9243613617963459
Energy: 0.9097359510527927
Energy: 0.9557963892051573
Energy: 0.8775947824082543
Energy: 0.8803103644097948
Energy: 0.9346405636726083
Energy: 0.8951052801341973
Energy: 0.8765137561286923
Energy: 0.8793163234327536
Energy: 0.8820658324261279
Energy: 0.895650801891026
Energy: 0.9056246733945383
Energy: 0.8761963264327128
Energy: 0.8767933966793994
Energy: 0.9028522900759424
Energy: 0.8436130045574289
Energy: 0.8438196810611104
Energy: 0.8827863522251562
Energy: 0.8766750597415689
Energy: 0.9006581407234687
Energy: 0.8434949164009748
Energy: 0.8436904262978511
Energy: 0.8816785043378803
Energy: 0.8768969269503953
Energy: 0.8789906215466792
Energy: 0.8949509968189229
Energy: 0.8750693953844224
Energy: 0.8867649644968225
Energy: 0.8785011544394099
Energy: 0.8793351967016397
Energy: 0.8969986814379091
Energy: 0.8751307230459546
Energy: 0.8801211509871099
Energy: 0.889976011641775
Energy: 0.8716327217230673
Energy: 0.8734282926344777
Energy: 0.9223559990290816
Energy: 0.8769455573551312
Energy: 0.8863070634971852
Energy: 0.871461327128594
Energy: 0.8703562415259567
Energy: 0.9218586074073312
Energy: 0.8795196551769923
Energy: 0.8480893073866353
Energy: 0.87777692221755
Energy: 0.9030542605093803
Energy: 0.9262468572807145
Energy: 0.8482043709320671
Energy: 0.8878658563758574
Energy: 0.8761704376515569
Energy: 0.9257133076512984
Energy: 0.920387070641742
Energy: 0.8519333801764033
Energy: 0.9264446993952763
Energy: 0.8790115532892165
Energy: 0.8727744609393255
Energy: 0.9269899418875305
Energy: 0.848997792320341
Energy: 0.9254397399968874
Energy: 0.889398686898822
Energy: 0.8721199692669204
Energy: 0.946492127612053
Energy: 0.8481886405240142
Energy: 0.880541695469652
Energy: 0.8753339176965746
Energy: 0.8878568129715886
Energy: 0.9247646563288322
Energy: 0.8829810514922664
Energy: 0.8793062292175405
Energy: 0.8789374327668746
Energy: 0.8838458618888475
Energy: 0.9227045974806802
Energy: 0.8760777796189867
Energy: 0.9111601795467807
Energy: 0.8786541104841101
Energy: 0.9014269916291741
Energy: 0.8706389260080819
Energy: 0.8705368185859219
Energy: 0.9117877379409125
Energy: 0.8793906524258747
Energy: 0.9017798711343148
Energy: 0.8705456551668685
Energy: 0.8696788619147594
Energy: 0.8759093084541909
Energy: 0.8963173076392873
Energy: 0.9505780260382973
Energy: 0.8982331475687543
Energy: 0.920965011121798
Energy: 0.9040311439193629
Energy: 0.8971283304942618
Energy: 0.9506995178196296
Energy: 0.8801565198142327
Energy: 0.9214957577136489
Energy: 0.8845631916071134
Energy: 0.890882821154728
Energy: 0.8805241999258968
Energy: 0.8752180780578269
Energy: 0.9192764704538053
Energy: 0.8791984086107549
Energy: 0.8989532218647374
Energy: 0.9489472564235143
Energy: 0.8759378667208246
Energy: 0.9200582376108356
Energy: 0.8438625068793586
Energy: 0.9236466352397301
Energy: 0.874735831524512
Energy: 0.8794680898760918
Energy: 0.9466587982058284
Energy: 0.9225682666947421
Energy: 0.9246642502654697
Energy: 0.8836865178150564
Energy: 0.8782160145892632
Energy: 0.9311321872318572

minimum gb energy = 0.8434949164009748 eV
minimum distance =  2.31702627751668 Angstroms
sigma value = 293


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

Energy: 0.8632561707905321
Energy: 0.8843495548357178
Energy: 0.9552524634066843
Energy: 0.8837355371050356
Energy: 0.8739817798288355
Energy: 0.8633792357278908
Energy: 0.8862747792852674
Energy: 0.9542174671218959
Energy: 0.8848429589434313
Energy: 0.8721642121806978
Energy: 0.938551196519761
Energy: 0.8792717903527921
Energy: 0.8780299255648027
Energy: 0.8774629070199848
Energy: 0.8801877634958871
Energy: 0.9346386319234461
Energy: 0.879533690827588
Energy: 0.8710690102592814
Energy: 0.8781911154059667
Energy: 0.8810464869334863
Energy: 0.8800474289378835
Energy: 0.8791705462767607
Energy: 0.8808231021111788
Energy: 0.8849302240093304
Energy: 0.9359361584130008
Energy: 0.8789709215972269
Energy: 0.8776983766198488
Energy: 0.8794193497965339
Energy: 0.9571128901930358
Energy: 0.9374321098367396
Energy: 0.9547634703660018
Energy: 0.8670370434413021
Energy: 0.8695783061826556
Energy: 0.879818442410951
Energy: 0.9376761995910964
Energy: 0.9543682257246255
Energy: 0.8663952345367086
Energy: 0.8713575257866364
Energy: 0.8795034053854001
Energy: 0.8664653576248968
Energy: 0.8801657640651386
Energy: 0.8733981988966194
Energy: 0.8661877568936249
Energy: 0.9325867039817087
Energy: 0.8818480476914384
Energy: 0.8794594515695738
Energy: 0.8707618985497207
Energy: 0.8665077402109197
Energy: 0.941733678481838
Energy: 0.879941164110757
Energy: 0.8797218580319339
Energy: 0.9551002203243565
Energy: 0.8870849173196246
Energy: 0.8791127247916904
Energy: 0.8763986717258113
Energy: 0.8803512556176272
Energy: 0.9519187765529472
Energy: 0.885069651130099
Energy: 0.8796116284367638
Energy: 0.8785459245048006
Energy: 0.8818864287424105
Energy: 0.866189655736637
Energy: 0.8795669718567936
Energy: 0.8795847224446258
Energy: 0.937126492814823
Energy: 0.8818098126869134
Energy: 0.8650054170178201
Energy: 0.880103983316506
Energy: 0.8790497604058517
Energy: 0.8843697198079902
Energy: 0.881725356637544
Energy: 0.9305331214124031
Energy: 0.885314965290553
Energy: 0.8658169476047204
Energy: 0.8757547578527596
Energy: 0.8900204698338189
Energy: 0.9292449178337139
Energy: 0.8835618334414315
Energy: 0.8655791021490834
Energy: 0.8734564363294421
Energy: 0.8789612362870985
Energy: 0.8703502709301815
Energy: 0.8773470623626242
Energy: 0.8683106212387613
Energy: 0.9392705533841395
Energy: 0.8786903257246718
Energy: 0.8779905646030182
Energy: 0.8782077808968132
Energy: 0.8673888622124585
Energy: 0.9440424296854731
Energy: 0.8796202665577205
Energy: 0.8817333961153558
Energy: 0.9299652577885947
Energy: 0.8864710866213715
Energy: 0.8840065891008555
Energy: 0.8819310777215439
Energy: 0.8829333446088989
Energy: 0.9303272088505999
Energy: 0.9473572110140793
Energy: 0.8790787182670998
Energy: 0.867972409339186
Energy: 0.8917058496722841
Energy: 0.876488678267369
Energy: 0.8799373097276789
Energy: 0.9393257861350298
Energy: 0.8684050677508008
Energy: 0.8830899137651835
Energy: 0.864694844826169
Energy: 0.8805427045751902
Energy: 0.9377628887908034
Energy: 0.8634070510188253
Energy: 0.8843722635211424
Energy: 0.9585239572965515
Energy: 0.8834582205937099
Energy: 0.8739475115136738
Energy: 0.8638009028127324
Energy: 0.8861318333029837
Energy: 0.8895854482266798
Energy: 0.8848600004108977
Energy: 0.8728334921704916
Energy: 0.9387582168425527
Energy: 0.878994684815467
Energy: 0.8781646371715022
Energy: 0.878014674141633
Energy: 0.8808463107555765
Energy: 0.9349251803677727
Energy: 0.8792865790238291
Energy: 0.8716089172291175
Energy: 0.8781148168548697
Energy: 0.8847348305681635
Energy: 0.8801106645779802
Energy: 0.8795637604442286
Energy: 0.8806054898310116
Energy: 0.8884443368883248
Energy: 0.9361046412873737
Energy: 0.8790230064439123
Energy: 0.8780537116147672
Energy: 0.8797353142211987
Energy: 0.9511542714660224
Energy: 0.9375855395463417
Energy: 0.954788519190406
Energy: 0.8668385597077245
Energy: 0.869286682883093
Energy: 0.8793061267326852
Energy: 0.9377968790774278
Energy: 0.9541406670176796
Energy: 0.8663034159075385
Energy: 0.8710381096783326
Energy: 0.8794890187041842
Energy: 0.9369274372372999
Energy: 0.8801444462428222
Energy: 0.8726262050351594
Energy: 0.8661207499842185
Energy: 0.9351500747471538
Energy: 0.8810152568814655
Energy: 0.879424580574019
Energy: 0.8711010722086353
Energy: 0.8664663886207339
Energy: 0.8833392904188135
Energy: 0.8800551041608552
Energy: 0.8796966685718953
Energy: 0.9528454206449545
Energy: 0.8873226458934471
Energy: 0.8787733154231014
Energy: 0.8753351139636755
Energy: 0.8801488570411493
Energy: 0.9508245730676165
Energy: 0.8852074656354761
Energy: 0.8792234103377438
Energy: 0.8787086927966127
Energy: 0.8825276989149287
Energy: 0.8660984432582374
Energy: 0.8798666043318448
Energy: 0.8795065207214176
Energy: 0.9339500711104762
Energy: 0.8813323851847931
Energy: 0.8650762572075767
Energy: 0.8809551755223245
Energy: 0.8788345645136847
Energy: 0.8850176027116113
Energy: 0.8825914371951775
Energy: 0.9305296775722071
Energy: 0.8856291074107083
Energy: 0.8659141010574067
Energy: 0.8751764663580418
Energy: 0.8950381345876681
Energy: 0.9289738842936852
Energy: 0.8839183225329207
Energy: 0.8655068435554861
Energy: 0.8736150637557734
Energy: 0.8792064186537547
Energy: 0.8714274615744398
Energy: 0.8779687678815286
Energy: 0.8685179120719091
Energy: 0.940427009591316
Energy: 0.8788624797722613
Energy: 0.8776959893370143
Energy: 0.8787486507577775
Energy: 0.8674928524025104
Energy: 0.882595255380322
Energy: 0.8798189865542964
Energy: 0.881277529741492
Energy: 0.9292854980247452
Energy: 0.8867972914211625
Energy: 0.8829954943433216
Energy: 0.8815990803748888
Energy: 0.8826617263220281
Energy: 0.9315288814004076
Energy: 0.9416527419350331
Energy: 0.8798368475388962
Energy: 0.8673283210523973
Energy: 0.8913410433966328
Energy: 0.8767104909581402
Energy: 0.8805633171577633
Energy: 0.9401517252700962
Energy: 0.8678919411796899
Energy: 0.8820621350372003
Energy: 0.8645991595470455
Energy: 0.8804173425185639
Energy: 0.9382512460477831

minimum gb energy = 0.8632561707905321 eV
minimum distance =  2.32275156391532 Angstroms
sigma value = 15


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

Energy: 0.8423082679728753
Energy: 0.8803684855748333
Energy: 0.9340302329055191
Energy: 0.8443809457247008
Energy: 0.9160755675066006
Energy: 0.8539741813668732
Energy: 0.8983871246473127
Energy: 0.9340613439026215
Energy: 0.8455352202480132
Energy: 0.8929242421413366
Energy: 0.8475310603316867
Energy: 0.8987799693506442
Energy: 0.8625925554983467
Energy: 0.8986771857281592
Energy: 0.9424331948807757
Energy: 0.8404211707771356
Energy: 0.9000529781435632
Energy: 0.8615313538773468
Energy: 0.9473246186450485
Energy: 0.9526238538568456
Energy: 0.8570257424808241
Energy: 0.8870604953713437
Energy: 0.8440388720085662
Energy: 0.9100526132536696
Energy: 0.8586949512852372
Energy: 0.8408038461968578
Energy: 0.882119180787007
Energy: 0.8558782857336427
Energy: 0.896539631948161
Energy: 0.972692416297835
Energy: 0.9081046197499556
Energy: 0.855487264704678
Energy: 0.9024294660081593
Energy: 0.8486842766577968
Energy: 0.9668861334491659
Energy: 0.9074180471485643
Energy: 0.8552405230097815
Energy: 0.911119710944275
Energy: 0.9808896905864732
Energy: 0.8461930845447526
Energy: 0.8780176492833695
Energy: 0.9302118886423154
Energy: 0.8386910968974493
Energy: 0.8438075865509441
Energy: 0.8310640054333875
Energy: 0.8662125100993959
Energy: 0.9335006844883619
Energy: 0.8750506375831186
Energy: 0.844195471214863
Energy: 0.8433000313658858
Energy: 0.8316152817572869
Energy: 0.8424740027372135
Energy: 0.8416379974151165
Energy: 0.9746954216202101
Energy: 1.0444190451085043
Energy: 0.848799139747232
Energy: 0.8432657290441975
Energy: 0.8425139336368047
Energy: 0.9890017615150601
Energy: 1.0235546382394616
Energy: 0.8454051736508004
Energy: 0.8415278532959461
Energy: 0.8433769038985639
Energy: 0.8606071157038928
Energy: 0.9255792351419327
Energy: 0.8450873608884204
Energy: 0.8425708096005383
Energy: 0.84340082610117
Energy: 0.8837222954767909
Energy: 0.9246778078720176
Energy: 0.8718582102404018
Energy: 0.8433955831439811
Energy: 0.8663581548318535
Energy: 0.8401679597842063
Energy: 0.9432162597141317
Energy: 0.8473742202260809
Energy: 0.8434987520177771
Energy: 0.8812915722500376
Energy: 0.8406229775061864
Energy: 0.9439495864357995
Energy: 0.8470281692301037
Energy: 1.0197258063587098
Energy: 0.9367335171317415
Energy: 0.8991614933614438
Energy: 0.8548714721063568
Energy: 0.8461289240946248
Energy: 1.037158580062658
Energy: 0.9431602100015113
Energy: 0.9001852278674541
Energy: 0.8529814292503896
Energy: 0.9080494895082681
Energy: 0.8821799343553155
Energy: 0.8761999780765055
Energy: 0.8509815448528215
Energy: 0.8530619124098257
Energy: 0.8893362001070566
Energy: 0.8543439187620576
Energy: 0.8734242012430836
Energy: 0.8522401163025841
Energy: 0.8586158258829241
Energy: 0.9033347450006916
Energy: 0.8949108739126952
Energy: 0.8316940504329537
Energy: 0.8689932052582524
Energy: 0.8509066048649084
Energy: 0.9015657133082107
Energy: 0.8916364322779736
Energy: 0.867387888751446
Energy: 0.8702291769091738
Energy: 0.8510939272193855
Energy: 1.0265626420063074
Energy: 0.8867364998940626
Energy: 0.8526529073768655
Energy: 0.8323118930431402
Energy: 0.957901419116823
Energy: 1.0272675809049963
Energy: 0.9134703222612437
Energy: 0.831826360935578
Energy: 0.8327646558010232
Energy: 0.9575949019198347
Energy: 0.9367579273237849
Energy: 0.8938684845558568
Energy: 0.8462004434505013
Energy: 0.933284146197333
Energy: 0.9171568529801907
Energy: 0.936932789627773
Energy: 0.8573297386866254
Energy: 0.8457869707066998
Energy: 0.9330879585334174
Energy: 0.9321271142683096
Energy: 0.8967083717300987
Energy: 0.8952617573410048
Energy: 0.949901426328501
Energy: 0.8776238771045396
Energy: 0.8678045738636148
Energy: 0.896558095243584
Energy: 0.8891793658508972
Energy: 0.828132526923404
Energy: 0.8866056698216205
Energy: 0.8643383783122885
Energy: 0.8429958852075917
Energy: 0.8381873925654709
Energy: 0.9930705748525513
Energy: 0.8476384505448827
Energy: 0.8484061317648829
Energy: 0.8432115010921705
Energy: 0.8359058778271243
Energy: 0.9929125580976695
Energy: 0.84672740983326
Energy: 0.8493733595919507
Energy: 1.0147410619955055
Energy: 0.9938506277076398
Energy: 0.8342188687182963
Energy: 0.8825502257876975
Energy: 0.8699424796639075
Energy: 1.0034520440025614
Energy: 0.9935695904095868
Energy: 0.8343250396403425
Energy: 0.8821814736121426
Energy: 0.8315061826967164
Energy: 0.8332592026061084
Energy: 0.8968139955303305
Energy: 0.8292357503634068
Energy: 0.8708938679731651
Energy: 0.9059608744133919
Energy: 0.8417182199580714
Energy: 0.897509623051296
Energy: 0.8421261732408
Energy: 0.9723578955616491
Energy: 0.9104876526694742
Energy: 0.8881266702895247
Energy: 1.0131769164842495
Energy: 0.8294817591634687
Energy: 0.9024126965128588
Energy: 0.8503312488173945
Energy: 0.8936537273166102
Energy: 1.0132843618120555
Energy: 0.8297221570848555
Energy: 0.8565958063576072
Energy: 0.8477889468893742
Energy: 0.8452234421759051
Energy: 0.861256648588808
Energy: 0.8600161432179021
Energy: 0.8451349904562542
Energy: 0.8522115858063979
Energy: 0.8461970917509936
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Energy: 1.0183891578822473
Energy: 0.8479234460979587
Energy: 0.8269268866805994
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Energy: 0.8743837772893325
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Energy: 0.8465702512701418
Energy: 0.8695083736368313
Energy: 0.8794212512841044
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Energy: 1.0168216708232183
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Energy: 0.8324358224044335
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Energy: 0.8258824374090795
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Energy: 0.8630088336526831
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Energy: 0.94067997982488
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Energy: 0.8498101235448898
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Energy: 0.9335502336265452
Energy: 0.9921718058985478
Energy: 1.0066951493473322
Energy: 0.8494387301553529
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Energy: 0.9214268260097366
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Energy: 1.0104831728621624
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Energy: 0.9316740243938979
Energy: 0.8402643016111649
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Energy: 0.8876439183942647
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Energy: 0.8870066913092398
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Energy: 0.8462508545195716
Energy: 0.8453753837215855
Energy: 0.9999244879419215
Energy: 1.0231896423669407
Energy: 0.8601919617621937
Energy: 0.8463023292138592
Energy: 0.8456791787826959
Energy: 0.9991510995692707
Energy: 1.0457416950299054
Energy: 0.8488760977165427
Energy: 0.8483955064504196
Energy: 0.847144345525536
Energy: 0.8609235679959147
Energy: 0.8933717281446091
Energy: 0.847731098074312
Energy: 0.8483136490036104
Energy: 0.8463015618525719
Energy: 0.8562590344414691
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Energy: 0.8521454124910895
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Energy: 0.8461775801603559
Energy: 0.8974025261201727
Energy: 0.8393387606146594
Energy: 0.9274096813336652
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Energy: 0.8600841571427573
Energy: 0.9238583693775214
Energy: 0.9077263308444535
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Energy: 0.8379378774041562
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Energy: 0.829733101817843
Energy: 0.8355993230999956
Energy: 0.8326732672842083
Energy: 0.8693832033610911
Energy: 0.888429426616073
Energy: 0.8294250417087684
Energy: 0.8351874500026482
Energy: 0.8331355773586171
Energy: 0.8644271772211408
Energy: 0.9111625668221046
Energy: 0.8820508956918317
Energy: 0.8571432151032087
Energy: 0.8671115560951306
Energy: 0.8326774691501554
Energy: 0.9009806779278813
Energy: 0.8565150555285674
Energy: 0.8582291605763501
Energy: 0.8674804806774332
Energy: 0.8331386063035234
Energy: 1.0263153672526288
Energy: 0.9051492965254183
Energy: 0.8476453627284231
Energy: 0.8320236023167331
Energy: 0.852464517972822
Energy: 1.0260616136437686
Energy: 0.9313445418801666
Energy: 0.8309084253328665
Energy: 0.8316360374938253
Energy: 0.8533195746419685
Energy: 0.9150960947952488
Energy: 0.8324988145705503
Energy: 0.8441727827742324
Energy: 0.9050884549838998
Energy: 0.9129468261016485
Energy: 0.9163440162749473
Energy: 0.8318583643489487
Energy: 0.8430254041237042
Energy: 0.9347090567998875
Energy: 0.8994840919248845
Energy: 0.895205495485893
Energy: 0.8731381329856234
Energy: 0.9223998133626116
Energy: 0.8603858482756814
Energy: 0.8654627259316239
Energy: 0.8950708839991756
Energy: 0.8784410737332292
Energy: 0.9418060363666005
Energy: 0.8598239054577218
Energy: 0.8670635970054502
Energy: 0.8598707595250905
Energy: 0.8822737825126789
Energy: 0.8322508931154464
Energy: 0.8341758692330719
Energy: 0.8527910188596196
Energy: 0.8764116503386631
Energy: 0.8870894236872339
Energy: 0.8330624843620064
Energy: 0.8705118837836158
Energy: 0.8558231519708945
Energy: 1.0037774129863273
Energy: 0.996368558214392
Energy: 0.871649977329557
Energy: 0.9092484251708735
Energy: 0.8722055300087203
Energy: 0.9895844695718897
Energy: 0.9950083131612437
Energy: 0.8719058202664405
Energy: 0.9787468834183048
Energy: 0.8306522044231659
Energy: 0.8388296500120018
Energy: 0.8796923667034124
Energy: 0.8900799221352845
Energy: 0.8856004779156195
Energy: 0.8914778119136803
Energy: 0.8408993618016753
Energy: 0.8643324601208335
Energy: 0.8901495609279968
Energy: 0.8528376688923294
Energy: 0.9315282138452048
Energy: 0.8897081680647037
Energy: 0.9671765996051156
Energy: 1.0189502684026073
Energy: 0.9251286236637772
Energy: 0.8474095299450825
Energy: 0.9745475929431117
Energy: 0.9669410877087925
Energy: 1.0193517166238908
Energy: 0.9163889493463473
Energy: 0.8446283355977665
Energy: 0.8425552878138679
Energy: 0.8611516833604286
Energy: 0.8608439115376562
Energy: 0.842031535513045
Energy: 0.8489679504806226
Energy: 0.8426324862268473
Energy: 0.853887416144814
Energy: 0.8510582534764817
Energy: 0.843459245933895
Energy: 0.850521078737524
Energy: 0.8525321877514797
Energy: 0.9085730580362704
Energy: 0.9166600955664888
Energy: 0.8421832886291333
Energy: 0.8444140909890536
Energy: 0.8550881881196134
Energy: 0.9103301688118243
Energy: 0.9081838545966443
Energy: 0.8416590903054993
Energy: 0.8458107160086931
Energy: 0.9079403454622551
Energy: 0.8395563080369901
Energy: 0.8549527623071398
Energy: 0.8551711237276054
Energy: 0.9117762482716515
Energy: 0.907039595545444
Energy: 0.8393645917313005
Energy: 0.853580321424532
Energy: 0.8826333132664762
Energy: 0.923792292679633
Energy: 0.8473348992019569
Energy: 0.8437486284669282
Energy: 0.9037198083969631
Energy: 1.0401662057038015
Energy: 0.8468024220414798
Energy: 0.8389935509506158
Energy: 0.8377975103297538
Energy: 0.9119245488159567
Energy: 1.0398189030753135
Energy: 0.8478376670828759
Energy: 0.851059947056055
Energy: 0.844336727074688
Energy: 0.8530150131681501
Energy: 0.8444321220086426
Energy: 0.8395691959099485
Energy: 0.8583185171146285
Energy: 0.856285546301769
Energy: 0.8630720893401685
Energy: 0.8443345969398612
Energy: 0.8438122835291876
Energy: 0.8465815118550437
Energy: 0.8419942870878835
Energy: 0.8496488576667752
Energy: 1.0101732834276709
Energy: 0.9148417871111393
Energy: 0.8410846757099392
Energy: 0.8431853542789863
Energy: 0.8494991799002202
Energy: 0.9466309292109799
Energy: 0.9270572995033676
Energy: 0.88426757982022
Energy: 0.9419747968657534
Energy: 0.8916364498541925
Energy: 0.8993485808514188
Energy: 0.8293341408839852
Energy: 0.8584544711418682
Energy: 0.958411168732622
Energy: 0.8424423070608047
Energy: 0.8649862692153991
Energy: 0.8306591338691307

minimum gb energy = 0.8256587495655677 eV
minimum distance =  2.28716275369475 Angstroms
sigma value = 437


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

Energy: 1.2233721647162918
Energy: 0.8014701116471471
Energy: 0.8757420581911526
Energy: 0.857420221603915
Energy: 0.9450424361846901
Energy: 1.222711986983978
Energy: 0.8027915397089503
Energy: 0.9039189646899018
Energy: 0.7603257761465746
Energy: 0.8981644683132127
Energy: 0.761951942457223
Energy: 0.8188832498282343
Energy: 0.7593660761014505
Energy: 0.9438945967149847
Energy: 0.7884866420506915
Energy: 0.7606494484072581
Energy: 0.8166843124376558
Energy: 0.7584575368305992
Energy: 0.8808299947644753
Energy: 0.7876474173440406
Energy: 0.8562322256639485
Energy: 0.8680467495571879
Energy: 0.7865268675542578
Energy: 0.7863763692656719
Energy: 0.761265803498107
Energy: 0.8556827816399291
Energy: 0.8691653246593685
Energy: 0.7875074644498927
Energy: 0.7877171941494729
Energy: 0.855126214674791
Energy: 0.7884026962821385
Energy: 0.7921615498101343
Energy: 0.9073113164928597
Energy: 0.8549566079242429
Energy: 0.7615126083208769
Energy: 0.7894721005459038
Energy: 0.7877213220219768
Energy: 0.8805717263380024
Energy: 0.8556926025836961
Energy: 0.7616380687339949
Energy: 0.7780431313516872
Energy: 0.8006580165747325
Energy: 0.7861277669939924
Energy: 0.7865949642611262
Energy: 0.7605625958046557
Energy: 0.7772003330458358
Energy: 0.8831191666644858
Energy: 0.7866132986866352
Energy: 0.7874283654369505
Energy: 0.7627169578993521
Energy: 0.8068399507467052
Energy: 0.7885122681089214
Energy: 0.7575687938632616
Energy: 0.7783602103125974
Energy: 0.8139187631409385
Energy: 0.8070940463174412
Energy: 0.787506151175816
Energy: 0.7577986728256856
Energy: 0.7807613937937499
Energy: 0.8132722446428664
Energy: 0.8740750481012467
Energy: 0.8522216200346507
Energy: 0.8506222543383395
Energy: 0.7861193393715254
Energy: 0.7865972676037659
Energy: 0.8738484735947701
Energy: 0.761486986122296
Energy: 0.8536669165951313
Energy: 0.7874087755932195
Energy: 0.7869636496227272
Energy: 0.8667731044095917
Energy: 0.7600699091103474
Energy: 0.7880116800543088
Energy: 0.7842836700589811
Energy: 0.8804199888945637
Energy: 0.8668167411456884
Energy: 0.7577262534290616
Energy: 0.7881074935523208
Energy: 0.7747065596956079
Energy: 0.8803277648523963
Energy: 0.7877282239307705
Energy: 0.784396705565301
Energy: 0.8012569521643117
Energy: 0.7915255467091569
Energy: 0.78833453481844
Energy: 0.7867310899905939
Energy: 0.8796946983883194
Energy: 0.7999593750257327
Energy: 0.8492294777407946
Energy: 0.7869691111666325
Energy: 0.8057143346998757
Energy: 0.7845776439636885
Energy: 0.7611519175120168
Energy: 0.7589769882794073
Energy: 0.8006518974607544
Energy: 0.8591144899241936
Energy: 0.7839390376617958
Energy: 0.7614919352095239
Energy: 0.9093872977410027
Energy: 0.8010559255360772
Energy: 0.7620441751996595
Energy: 0.758611945744517
Energy: 0.8041392564475509
Energy: 0.8131092527777818
Energy: 0.7657232758735523
Energy: 0.759757421295032
Energy: 0.7580155226027364
Energy: 0.8086660448554279
Energy: 0.813544034355208
Energy: 0.7891438239104115
Energy: 0.7614581348097743
Energy: 0.7571062416663155
Energy: 0.7582730926026875
Energy: 0.8836307644838203
Energy: 0.7606711076422548
Energy: 0.760180561612769
Energy: 0.7578025662348492
Energy: 0.7580626464607615
Energy: 0.884411601330752
Energy: 0.7597214615367957
Energy: 0.7616349503916677
Energy: 0.7624975632906145
Energy: 0.7798690952651339
Energy: 0.8798637527346528
Energy: 0.8079455605818437
Energy: 0.7622631957918825
Energy: 0.7638137676474669
Energy: 0.7847260280916897
Energy: 0.878505989693228
Energy: 0.7609936172804479
Energy: 0.7576791541254787
Energy: 0.8064667860416095
Energy: 0.9007716179903098
Energy: 0.7865681107005253
Energy: 0.767722240051804
Energy: 0.7592461453013388
Energy: 0.8049379229490873
Energy: 0.9370803013804222
Energy: 0.7871443008080277
Energy: 0.8057506400969426

minimum gb energy = 0.7571062416663155 eV
minimum distance =  2.37976823265313 Angstroms
sigma value = 33