Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_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=3.6149601638317113
cohesive_energy=3.540273359423524
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, -1.9495926153165598e-18, -2.8463148556000197e-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: 0.015447294172454516
Energy: 0.10179036058224575
Energy: 0.10343347278194683
Energy: 0.10312213931821881
Energy: 0.019286751861411204
Energy: 0.01689946830092908
Energy: 0.10169200610650649
Energy: 0.1035379266202713
Energy: 0.10269204380527425
Energy: 0.01863507980347502
Energy: 0.10165155204317379
Energy: 0.10117692752875611
Energy: 0.10236957567746684
Energy: 0.10322068793229601
Energy: 0.10316877426544407
Energy: 0.1019299125560408
Energy: 0.10142024052103704
Energy: 0.10201222415246108
Energy: 0.10319128204412834
Energy: 0.1026720687021587
Energy: 0.10338756050041474
Energy: 0.01930902750376565
Energy: 0.015787998125706706
Energy: 0.10149861160715368
Energy: 0.10362838817520406
Energy: 0.10352257839722137
Energy: 0.01863487144300227
Energy: 0.01586774576734972
Energy: 0.10140305740260351
Energy: 0.10318222986786485
Energy: 0.10263743088171498
Energy: 0.017045106981387077
Energy: 0.01680348010307236
Energy: 0.10108151821018181
Energy: 0.10205492114398494
Energy: 0.10302354588046203
Energy: 0.01764271925558403
Energy: 0.01613586640422662
Energy: 0.10102609232475153
Energy: 0.10199600986165724
Energy: 0.1022546904675618
Energy: 0.10267252407421848
Energy: 0.10374688410837875
Energy: 0.017256408982861085
Energy: 0.016107809127210597
Energy: 0.10200863581650627
Energy: 0.10322999278700191
Energy: 0.10321576159507775
Energy: 0.018310778901387745
Energy: 0.10120703429060283
Energy: 0.10391309803871401
Energy: 0.10250515414953738
Energy: 0.10203130030478469
Energy: 0.016534325469203054
Energy: 0.01605091519947468
Energy: 0.10119701746827005
Energy: 0.10158062402097585
Energy: 0.1026022545438699
Energy: 0.017185649751083634
Energy: 0.016131012950706083
Energy: 0.01608957076736832
Energy: 0.10409035500908861
Energy: 0.10270481216229563
Energy: 0.1033141199922783
Energy: 0.10385328069815725
Energy: 0.02073191085643812
Energy: 0.10428027417238885
Energy: 0.10235450056379658
Energy: 0.10388709571261795
Energy: 0.10345261539535681

minimum gb energy = 0.015447294172454516 eV
minimum distance =  2.5230466165038 Angstroms
sigma value = 3


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

Energy: 1.2228101867391483
Energy: 0.6989125675094361
Energy: 0.751587211114443
Energy: 0.7239736129905477
Energy: 0.6980429078380517
Energy: 0.6983572514036804
Energy: 0.700143456477354
Energy: 0.7526777387757688
Energy: 0.7527561448901293
Energy: 0.7284113230580102
Energy: 0.5968844312328515
Energy: 0.7954692634224142
Energy: 0.7561861271604134
Energy: 0.827820237821226
Energy: 0.568302703696658
Energy: 0.567953681673445
Energy: 0.8185461579217794
Energy: 0.7520255249850403
Energy: 0.6615265666782529
Energy: 0.5679465530524732
Energy: 0.6207886620329224
Energy: 0.7790328264174247
Energy: 0.6366750816438247
Energy: 0.5655307494010919
Energy: 0.5673913576037952
Energy: 0.5655074329719503
Energy: 0.7761481111590244
Energy: 0.6337823321286524
Energy: 0.565546517801199
Energy: 0.6037774227414302
Energy: 0.5686654522134009
Energy: 0.8344788558178381
Energy: 0.6405395009101862
Energy: 0.565669748293134
Energy: 0.5671768854655562
Energy: 0.5658903850522717
Energy: 0.754503352759184
Energy: 0.6416074669864055
Energy: 0.6182104334169712
Energy: 0.658236971734597
Energy: 0.719178002933338
Energy: 0.7322884047388996
Energy: 0.8101191038728649
Energy: 0.6142785111659433
Energy: 0.6555567480580614
Energy: 0.750378910171354
Energy: 0.6945423443026125
Energy: 0.7431362318469211
Energy: 0.6135580293894479
Energy: 0.620529990695843
Energy: 0.7314208678952652
Energy: 0.7303055595038154
Energy: 0.7842989184092132
Energy: 0.6144623957487748
Energy: 0.8151821617795607
Energy: 0.7339987656684239
Energy: 0.7308619822359705
Energy: 0.7391836706939406
Energy: 0.6134896066054859
Energy: 0.7403157504578768
Energy: 0.7687938855238309
Energy: 0.7740649046319825
Energy: 0.6903268627083377
Energy: 0.5693717633144504
Energy: 0.7730427618656813
Energy: 0.773003785461898
Energy: 0.8331985614756394
Energy: 0.6158810292769544
Energy: 0.613622432126437
Energy: 0.7613666016287075
Energy: 0.9170801106607983
Energy: 0.7619911365766988
Energy: 0.802634262977959
Energy: 0.695712111504813
Energy: 0.7673479530814932
Energy: 0.7676853368131641
Energy: 0.7512455030252418
Energy: 0.6989830773753211
Energy: 0.7805655230438929
Energy: 0.7486288793878927
Energy: 0.856081198387769
Energy: 0.6966523670429466
Energy: 0.5691490115299043
Energy: 0.8554330115168516
Energy: 0.7641961727888092
Energy: 0.8548975817718482
Energy: 0.6695783545597971
Energy: 0.6146398157345909
Energy: 0.9225614644754554
Energy: 0.7530662911469108
Energy: 0.8585862249798238
Energy: 0.6124816162045519
Energy: 0.6145799543894144
Energy: 0.595596460247754
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Energy: 0.6861489316264341
Energy: 0.634849746330831
Energy: 0.6654185957315395
Energy: 0.6243018682164948
Energy: 0.6132036405784085
Energy: 0.7086265022899002
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Energy: 0.6032327528867678
Energy: 0.6156890697930594
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Energy: 0.716703099777776
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Energy: 0.8208358996014586
Energy: 0.6190546591821265
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Energy: 0.8192905737310675
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Energy: 0.7894225351501807
Energy: 0.8487052223039983
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Energy: 0.7713017368175803
Energy: 0.7000173532310905
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Energy: 0.7844992686406626
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Energy: 0.6120924065241123
Energy: 0.6143629207412735
Energy: 0.7571231369451951
Energy: 0.7749750395244503
Energy: 0.6584368766339364
Energy: 0.6130169573576962
Energy: 0.6163961758863318
Energy: 0.7678788001907674
Energy: 0.7580694066581128
Energy: 0.7498763422346328
Energy: 1.1006385068447078
Energy: 0.7545346274930776
Energy: 0.7690072374474004
Energy: 0.7704443809006928
Energy: 0.747548406951052
Energy: 0.7557005442624121
Energy: 0.7537214261955117
Energy: 0.7690629269542274
Energy: 0.7560011512539921
Energy: 0.7522257869234132
Energy: 0.6120094192789445
Energy: 0.8545855309852285
Energy: 0.7709791206172832
Energy: 0.8558800227830312
Energy: 0.6147822393906487
Energy: 0.6514900543578178
Energy: 0.8189016097407485
Energy: 0.7714690599759529
Energy: 0.8456044361715623
Energy: 0.6141599952055757
Energy: 0.6123651371062208
Energy: 0.6800549577003431
Energy: 0.6364132830229393
Energy: 0.6171686472277101
Energy: 0.750014042562578
Energy: 0.6593805981466545
Energy: 0.6386049599319533
Energy: 0.64439168165884
Energy: 0.617141532197766
Energy: 0.6123680401341018
Energy: 0.6463069623361454
Energy: 0.6049052649558834
Energy: 0.6378491651877338
Energy: 0.7191466024998218
Energy: 0.6747077123911592
Energy: 0.6462714664254275
Energy: 0.6042664635810696
Energy: 0.6412516832791302
Energy: 0.6162005257306095
Energy: 0.70509431650099
Energy: 0.8118323213164863
Energy: 0.7708323885141776
Energy: 0.7884270109941275
Energy: 0.6148072525655057
Energy: 0.6218421385611371
Energy: 0.8654378606841329
Energy: 0.7540710539881101
Energy: 0.8166612851553429
Energy: 0.6139522918571603
Energy: 0.6134883676208144
Energy: 0.7308958909385846
Energy: 0.7814607032858601
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Energy: 0.6150552334101557
Energy: 0.7402693522460218
Energy: 0.7774320217928423
Energy: 0.7799668380143336
Energy: 0.7916622377408412
Energy: 0.7650971036421724
Energy: 0.7369545252827623
Energy: 0.7711910500659667
Energy: 0.761609711517061
Energy: 0.6558174129336914
Energy: 0.6141445068367322
Energy: 0.7534413624831368
Energy: 0.7651770182300301
Energy: 0.7679468896328109
Energy: 0.6508651920920387
Energy: 0.6133950203356157
Energy: 0.770657033180404
Energy: 0.9152607866733702
Energy: 0.7544108305488129
Energy: 0.7827811568561249
Energy: 0.7094847043158887
Energy: 0.7492486307195981
Energy: 0.7687589041530984
Energy: 0.7446263220733201
Energy: 0.7454460698334486
Energy: 0.827675716770383
Energy: 0.7669264440429201
Energy: 0.8518212383816469
Energy: 0.6666534015695226
Energy: 0.616137902612671
Energy: 0.6489873066688574
Energy: 0.755243289952242
Energy: 0.853995275724007
Energy: 0.6763296833176948
Energy: 0.6831658694557636
Energy: 0.6778710789940269
Energy: 0.7712407870418744
Energy: 0.6975983752459713
Energy: 0.5908042498731688
Energy: 0.6152471996459207
Energy: 0.6365075932205932
Energy: 0.6344694604144939
Energy: 0.6570141986206026
Energy: 0.6164983790860245
Energy: 0.6157822523220573
Energy: 0.6564644058617614
Energy: 0.6342636693713474
Energy: 0.654222396332652
Energy: 0.6169309974241126
Energy: 0.6151056983493803
Energy: 0.6514149361109365
Energy: 0.6420259963680044
Energy: 0.666351165233887
Energy: 0.7432884121499155
Energy: 0.616018893024336
Energy: 0.6895353112392505
Energy: 0.6345094190650158
Energy: 0.7500972950321749
Energy: 0.6205628846749899
Energy: 0.6180935355841739
Energy: 0.8106548900269542
Energy: 0.7478272725944044
Energy: 0.5676669662084896
Energy: 0.5706589609571255
Energy: 0.6185029100240435
Energy: 0.8519989026354529
Energy: 0.7539840250739159
Energy: 0.8895606175440044
Energy: 0.7664897420983986
Energy: 0.7280787638909143
Energy: 0.7313360057442928
Energy: 0.7723527261824312
Energy: 0.7475518772798417
Energy: 0.6059856666134233
Energy: 0.6683682054422625
Energy: 0.7818317512522586
Energy: 0.7307961348649931
Energy: 0.5920264704424226
Energy: 0.567705398897297
Energy: 0.7524785030563665
Energy: 0.7541524538977039
Energy: 0.7009878078593406
Energy: 0.5707927808086778
Energy: 0.5682294318436295
Energy: 0.7418578767505818
Energy: 0.7429831142547402
Energy: 0.7462006431752713
Energy: 0.6959555379907665
Energy: 0.7396607824039967
Energy: 0.7526417848849256
Energy: 0.701513319744366
Energy: 0.6979411776171678
Energy: 0.695566908730054
Energy: 0.699983150722695
Energy: 0.7515368834259678
Energy: 0.7348598813333591
Energy: 0.6932991440000924

minimum gb energy = 0.5655074329719503 eV
minimum distance =  2.2437836854713 Angstroms
sigma value = 75


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

Energy: 1.6267809536681674
Energy: 0.8325653383793721
Energy: 0.7508930809716837
Energy: 0.7682482305770648
Energy: 0.8255033735994195
Energy: 0.8240358314757061
Energy: 0.844410252649623
Energy: 0.7528227728328176
Energy: 0.7579909833150719
Energy: 0.8000195399160779
Energy: 0.8119751959310163
Energy: 0.6881395315824536
Energy: 0.7528824729325511
Energy: 0.7536932720022348
Energy: 0.6567975750701633
Energy: 0.6897823301542123
Energy: 0.7796107078580429
Energy: 0.7517721758601643
Energy: 0.767318123988431
Energy: 0.6863808596757223
Energy: 0.7879188408595497
Energy: 0.8758602294425972
Energy: 0.8580111244697326
Energy: 0.774515383955387
Energy: 0.7434596632438562
Energy: 0.6882773753735117
Energy: 0.87452434322487
Energy: 0.8578966527986166
Energy: 0.7594792889124627
Energy: 0.7587518164418503
Energy: 0.7472326007796243
Energy: 0.7350667499141882
Energy: 0.688166529101822
Energy: 0.6878120308625952
Energy: 0.75233051975041
Energy: 0.7036767989427228
Energy: 0.7225315367157472
Energy: 0.7257863985585649
Energy: 0.7744819192022412
Energy: 0.7668867832589136
Energy: 0.7119024152892961
Energy: 0.6947096899685108
Energy: 0.8580165317377803
Energy: 0.792425917085462
Energy: 0.685931355092472
Energy: 0.7214925042594624
Energy: 0.706252076729191
Energy: 0.8536721952832141
Energy: 0.7723798182693875
Energy: 0.7331928899338638
Energy: 0.7307145216923389
Energy: 0.8878347271907725
Energy: 0.8346980202617122
Energy: 0.7891613210697008
Energy: 0.7801673315025521
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Energy: 0.811560953407265
Energy: 0.8268300356492078
Energy: 0.7503906874105163
Energy: 0.7526467971898051
Energy: 0.7279522472854053
Energy: 0.7350528456260825
Energy: 0.6884404808463858
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Energy: 0.7284219845909005
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Energy: 0.7669410132133023
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Energy: 0.857530947339341
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Energy: 0.7652192067896371
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Energy: 0.7479608340558304
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Energy: 0.6744949658870542
Energy: 0.6869984644106457
Energy: 0.6837217984309178
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Energy: 0.8260061000389072
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Energy: 0.7219988984667327
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Energy: 0.7196482207716985
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Energy: 0.6878966768611317
Energy: 0.749758232530631
Energy: 0.7890056451266613
Energy: 0.767577262861589
Energy: 0.7538280264436608
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Energy: 0.6632708595114881
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Energy: 0.7532678277425766
Energy: 0.7543072337190408
Energy: 0.8577883466291134
Energy: 0.7552398129071471
Energy: 0.7455026533098921
Energy: 0.7152785110132776
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Energy: 0.7265445669401682
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Energy: 0.7223332410555146
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Energy: 0.6747850333659686
Energy: 0.7609964612212237
Energy: 0.8810501996142575
Energy: 0.7890669645665952
Energy: 0.7275993244706465
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Energy: 0.8713019092316208
Energy: 0.886128833564613
Energy: 0.7819736856188907
Energy: 0.7295338253823098
Energy: 0.7325552263705324
Energy: 0.8627176311122069
Energy: 0.781335992106046
Energy: 0.7824621179963904
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Energy: 0.7269520694731942
Energy: 0.7633501110585883
Energy: 0.9429680324974519
Energy: 0.779297047596875
Energy: 0.6801587807605569
Energy: 0.7305676835565806
Energy: 0.7473949883561738
Energy: 0.7907326409981553
Energy: 0.6896378398543092
Energy: 0.7376870043004119
Energy: 0.7474089820711213
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Energy: 0.7782170327709395
Energy: 0.7089637353293379
Energy: 0.7100734501619398
Energy: 0.7349112109799226
Energy: 0.7393916397794978
Energy: 0.7844860164547078
Energy: 0.764370058205477
Energy: 0.7535328069050078
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Energy: 0.7747929453388696
Energy: 0.7437044947162642
Energy: 0.7799921303866086
Energy: 0.7537746336167576
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Energy: 0.7543081721239063
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Energy: 0.7178988350039807
Energy: 0.759177872664408
Energy: 0.6908219536337111
Energy: 0.6858852670211684
Energy: 0.7924179073157019
Energy: 0.6867252300373577
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minimum gb energy = 0.6567975750701633 eV
minimum distance =  2.34906753080267 Angstroms
sigma value = 105


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

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Energy: 0.8270556027808905
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Energy: 0.7669004824367588
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Energy: 0.7651417767914636
Energy: 0.7675763817098299
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Energy: 0.8437699876582879
Energy: 0.7995847517563929
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Energy: 0.7640215256849587
Energy: 0.7879905268708364
Energy: 0.8395339125186841
Energy: 0.7965205916780734
Energy: 0.7457833445796176
Energy: 0.7679052020986201
Energy: 0.8082834984918043
Energy: 0.7668943948028903
Energy: 0.7688480040822634
Energy: 0.7731142522915463
Energy: 0.7607673841857968
Energy: 0.8325316946945642
Energy: 0.7636554687565835
Energy: 0.74921061406406
Energy: 0.750351643505642
Energy: 0.7491960690605556
Energy: 0.74144155982771
Energy: 0.7679966832240043
Energy: 0.7297382713881351
Energy: 0.8013514310419637
Energy: 0.7773674181967738
Energy: 0.7089564788059239
Energy: 0.761077823484186
Energy: 0.7069420803776779
Energy: 0.7961877770268452
Energy: 0.7699366834029264
Energy: 0.777410567736858
Energy: 0.8630020709457221
Energy: 0.7213482624248524
Energy: 0.8025373373793239
Energy: 0.7925817840732732
Energy: 0.7182469954880808
Energy: 0.7696171151910037
Energy: 0.722286532460894
Energy: 0.7754651355594131
Energy: 0.7532710905415572
Energy: 0.7547601524454691
Energy: 0.8658081081097131
Energy: 0.7999976891800832
Energy: 0.8216279573664956
Energy: 0.8286318326234083
Energy: 0.8033914583234013
Energy: 0.8755403399005965
Energy: 0.7992285143097657
Energy: 0.8328551089426521
Energy: 0.8239009173539343
Energy: 0.8059380779734748
Energy: 0.8193872381905052
Energy: 0.8707853611609603
Energy: 0.7167520923546311
Energy: 0.7173838094113262
Energy: 0.8237751959166324
Energy: 0.7241301825151459
Energy: 0.7975834823586787
Energy: 0.706395723051754
Energy: 0.7095859384836974
Energy: 0.8397945157260825
Energy: 0.7387983180412303
Energy: 0.7066199639930097
Energy: 0.7166707912436477
Energy: 0.7060253764316026
Energy: 0.7067167380386262
Energy: 0.7010286479544944
Energy: 0.706257123726327
Energy: 0.7155096171505071
Energy: 0.705924413826393
Energy: 0.7644750695017255

minimum gb energy = 0.7010286479544944 eV
minimum distance =  2.29376782659881 Angstroms
sigma value = 165


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

Energy: 1.0005965228255518
Energy: 0.7703959448138861
Energy: 0.6916227278081951
Energy: 0.7683289787953295
Energy: 0.8148644085035877
Energy: 0.8078119166953135
Energy: 0.6940425819694513
Energy: 0.6917057884995422
Energy: 0.7694138192080014
Energy: 0.8150423484692627
Energy: 0.8337868073609483
Energy: 0.7605854354532029
Energy: 0.6927881127552761
Energy: 0.7608407564918878
Energy: 0.8345936041976185
Energy: 0.7603178921690016
Energy: 0.7598468377892348
Energy: 0.7641592059998623
Energy: 0.7622489969754939
Energy: 0.8371406849652597
Energy: 0.7645577685214765
Energy: 0.8259743784615691
Energy: 0.7665884029749948
Energy: 0.7687014146888436
Energy: 0.8299932230919421
Energy: 0.7650167020849306
Energy: 0.8252189385330106
Energy: 0.7721106347065264
Energy: 0.7684206927207513
Energy: 0.7679768777978059
Energy: 0.8161239468389703
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Energy: 0.7628929018684822
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Energy: 0.830325670952575
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Energy: 0.7652661006619603
Energy: 0.6918563210849904
Energy: 0.7590956919233111
Energy: 0.8223110672708593
Energy: 0.8305642849405651
Energy: 0.7695808410703372
Energy: 0.7687268710325037
Energy: 0.764631718331278
Energy: 0.7598117551398491
Energy: 0.8271918820830337
Energy: 0.7688156069404178
Energy: 0.7699917192797143
Energy: 0.7654347707549766
Energy: 0.7593653716350767
Energy: 0.8317756008104865
Energy: 0.7691400811943571
Energy: 0.7710914293657641
Energy: 0.824926438920122
Energy: 0.8124946153834167
Energy: 0.7688981207745819
Energy: 0.7685231187389537
Energy: 0.7692345633095263
Energy: 0.8240846717241613
Energy: 1.0036080823850027
Energy: 0.7702364249520535
Energy: 0.7614991157589402
Energy: 0.7677141604078549
Energy: 0.7666121800889798
Energy: 0.6841057246628792
Energy: 0.7693954883580355
Energy: 0.7612357173357109
Energy: 0.7670367225291215
Energy: 0.7637535971266287
Energy: 0.7680632752378831
Energy: 0.8167788251162369
Energy: 0.7609340122767639
Energy: 0.6949847020120226
Energy: 0.7610868752080139
Energy: 0.6918004635859104
Energy: 0.8159998032246076
Energy: 0.7617256564932656
Energy: 0.7630158718890242
Energy: 0.7600327163344711
Energy: 0.6921545529788078
Energy: 0.8303077055290736
Energy: 0.762084117669585
Energy: 0.6948644444619313
Energy: 0.6856112991484231
Energy: 0.7625668980207216
Energy: 0.8306239749781743
Energy: 0.7636907609277716
Energy: 0.6940492243603043
Energy: 0.6832464787855859
Energy: 0.7613657330530725
Energy: 0.7555363145398061
Energy: 0.7659224320953986
Energy: 0.7687253784052118
Energy: 0.6937384822069033
Energy: 0.760218386337457
Energy: 0.751980967569697
Energy: 0.7632844592087371
Energy: 0.7686583149050975
Energy: 0.6938305305786228
Energy: 0.7598059255486166

minimum gb energy = 0.6811396542973238 eV
minimum distance =  2.31208044349312 Angstroms
sigma value = 41


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

Energy: 0.6462843613903648
Energy: 0.6420860893349942
Energy: 0.6298478676714072
Energy: 0.6374215424978388
Energy: 0.6217000147888407
Energy: 0.6455026841150265
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Energy: 0.7236532495560416
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Energy: 0.6780121864576232
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Energy: 0.6461152030181423
Energy: 0.7238528512667153
Energy: 0.6403580055233161
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Energy: 0.7101264962754291
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Energy: 0.6579522436915003
Energy: 0.6577776400554491
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Energy: 0.644343587147626
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Energy: 0.7319414704371336
Energy: 0.7283770437143373
Energy: 0.7120003185283271
Energy: 0.7209680289986431
Energy: 0.6759110177345028
Energy: 0.7029411160173094
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Energy: 0.631140518076858
Energy: 0.7318715072176838
Energy: 0.7211975744134754
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Energy: 0.7241906472166918
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Energy: 0.698700664069881
Energy: 0.6765140048947784
Energy: 0.6407195923952431
Energy: 0.7250192095813605
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Energy: 0.7009205298149441
Energy: 0.6975894899573843
Energy: 0.6514528929760525
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Energy: 0.6910541395942627
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Energy: 0.727090222773821
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Energy: 0.6868543752694402
Energy: 0.6658426703801933
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Energy: 0.6949571704710741
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Energy: 0.6811218390469305
Energy: 0.6494480808890649
Energy: 0.6761360167732348
Energy: 0.7002873819901418
Energy: 0.722008518594097
Energy: 0.6780987647436814
Energy: 0.6600796144072921
Energy: 0.6965851607134037
Energy: 0.6829179905372287
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Energy: 0.6300591324960528
Energy: 0.6482988081731513
Energy: 0.6767323585941614
Energy: 0.7569239294380193
Energy: 0.6519374210941169
Energy: 0.6475551755849404
Energy: 0.6483505443760433
Energy: 0.6395286795699225
Energy: 0.6658344951722416
Energy: 0.6319554892821665
Energy: 0.6363559875697073
Energy: 0.6302755844563157
Energy: 0.6388462850497449
Energy: 0.7213163499304175
Energy: 0.6334079944461007
Energy: 0.6566450647046804
Energy: 0.6425156660438581
Energy: 0.6937303936920466
Energy: 0.7422956658380634
Energy: 0.6382547035468618
Energy: 0.6325438829248871
Energy: 0.6277517254242416
Energy: 0.7067259212283578
Energy: 0.7226383501533995
Energy: 0.6482025658711799
Energy: 0.649995411446792
Energy: 0.6464257108520591
Energy: 0.6450521543156725
Energy: 0.683096699646941
Energy: 0.6505137158536727
Energy: 0.6512972431013176
Energy: 0.6530617247722454
Energy: 0.7722530171870458
Energy: 0.6382211425127575
Energy: 0.6399603330290004
Energy: 0.637602670365406
Energy: 0.7112513197127275

minimum gb energy = 0.6217000147888407 eV
minimum distance =  2.3560374807551 Angstroms
sigma value = 185


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

Energy: 0.5115544677379972
Energy: 0.4224736053898233
Energy: 0.45539701247728387
Energy: 0.41359001000737583
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Energy: 0.3799979601096818
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Energy: 0.43258456758174413
Energy: 0.4364269538752058
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Energy: 0.34527070546156796
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Energy: 0.4119177515629532
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Energy: 0.4124299082105825
Energy: 0.4360551373992322
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Energy: 0.35155020839512524
Energy: 0.41266927221388977
Energy: 0.422900371808424
Energy: 0.41922777499326946
Energy: 0.4253975788491699
Energy: 0.3344136268518679
Energy: 0.4218023982347373
Energy: 0.44395146720887935
Energy: 0.4630690851578987
Energy: 0.319641360888497
Energy: 0.3374066087202777
Energy: 0.44847776487991853
Energy: 0.4388732693441761
Energy: 0.4382410416850768
Energy: 0.3383442035493483
Energy: 0.34091525648483906
Energy: 0.4354102195895453
Energy: 0.4541166529695814
Energy: 0.48956889944585447
Energy: 0.4802295114430674
Energy: 0.4635575542561205
Energy: 0.46459088972934487
Energy: 0.4983693344488336
Energy: 0.42113650268639885
Energy: 0.4207142822186279
Energy: 0.41303487166470004
Energy: 0.424914961789551
Energy: 0.4296537948652484
Energy: 0.5039715309624003
Energy: 0.41761080576621573
Energy: 0.49664302302997465
Energy: 0.41930970103691717
Energy: 0.45813573833329546
Energy: 0.4351588907928869
Energy: 0.40995724901929637
Energy: 0.41320241987299194
Energy: 0.4124857281417411
Energy: 0.4702169099632467
Energy: 0.42080504643800337

minimum gb energy = 0.24859305013804517 eV
minimum distance =  2.39346552020312 Angstroms
sigma value = 33


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

Energy: 0.6448667849846823
Energy: 0.5821444123068703
Energy: 0.5999180601829146
Energy: 0.6097050936502857
Energy: 0.598369582116534
Energy: 0.5970271161870895
Energy: 0.5935644108443932
Energy: 0.5896505031186401
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Energy: 0.6111326728374128
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Energy: 0.6014577621672522
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Energy: 0.6222564273600745
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Energy: 0.5664570689065133
Energy: 0.5900793067497986
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Energy: 0.620304524670999
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Energy: 0.6098458143462063
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Energy: 0.6214509711015155
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Energy: 0.6231625331590553
Energy: 0.6303107805274829
Energy: 0.6120222714979515
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Energy: 0.6031451913258002
Energy: 0.6250074400924786
Energy: 0.6272593615079939
Energy: 0.6069798560265217
Energy: 0.6076553877022681
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Energy: 0.6115082206605107
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Energy: 0.6110443107466911
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Energy: 0.5984842940742827
Energy: 0.6221816514228786
Energy: 0.5939872301097489
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Energy: 0.6520451816861595
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Energy: 0.6134822468020038
Energy: 0.5911224579763289
Energy: 0.5865301785089154
Energy: 0.6461256211238894
Energy: 0.6026771425608464
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Energy: 0.604044055461476
Energy: 0.5819477091407119
Energy: 0.5865628386571572
Energy: 0.6022810298868726
Energy: 0.60214891164545
Energy: 0.6019789587817368
Energy: 0.5967786905395154
Energy: 0.5979911403935129
Energy: 0.6118881925467002
Energy: 0.6101972320104192
Energy: 0.5957774734506709
Energy: 0.5986390752424835
Energy: 0.5936334348254423
Energy: 0.6011085717682229
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Energy: 0.612875387459636
Energy: 0.6051269066894163
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Energy: 0.6011346347674653
Energy: 0.5936529164172102
Energy: 0.6074074633618812
Energy: 0.6185404012462105
Energy: 0.6204967505564235

minimum gb energy = 0.5593531882391015 eV
minimum distance =  2.33492681165444 Angstroms
sigma value = 219


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

Energy: 0.780820383042399
Energy: 0.8184101344273174
Energy: 0.7977187941515732
Energy: 0.762085860482975
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Energy: 0.8485944237623703
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Energy: 0.7610674452246549
Energy: 0.7615381845884452
Energy: 0.7550126686248161
Energy: 0.7931837545487906
Energy: 0.8165305527976467
Energy: 0.7605175639655396
Energy: 0.7618663491892428
Energy: 0.7924742079557043
Energy: 0.7910058776036266
Energy: 0.799214364237515
Energy: 0.8127886055548188
Energy: 0.763290661988149
Energy: 0.8188597039483162
Energy: 0.7356470261432313
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Energy: 0.810307716753933
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Energy: 0.8182911950366366
Energy: 0.7373457183563008
Energy: 0.8164317741551186
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Energy: 0.7278924992271677
Energy: 0.813658917752054
Energy: 0.7962900680884922
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Energy: 0.7279998860133738
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Energy: 0.819946889322298
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Energy: 0.8182795109445062
Energy: 0.8768984461095201
Energy: 0.8059003300551596
Energy: 0.8210709866474112
Energy: 0.7279450015378882
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Energy: 0.8178594613188762
Energy: 0.7489170850835708
Energy: 0.8193679408042457
Energy: 0.7298989069606386
Energy: 0.727455985464942
Energy: 0.8482424080515639
Energy: 0.7419698765103719
Energy: 0.8170756338093502
Energy: 0.8538382890145776
Energy: 0.7769426184238725
Energy: 0.7622688342960007
Energy: 0.8174796966717329
Energy: 0.8169297861373028
Energy: 0.8178198118408805
Energy: 0.778492085410262
Energy: 0.7973721029376025
Energy: 0.8165793392317507
Energy: 0.815100261823061
Energy: 0.8329048350372802
Energy: 0.7974436851355209
Energy: 0.7654359959690832
Energy: 0.7657407798772868
Energy: 0.8208096244921842
Energy: 0.8441257867349216
Energy: 0.8011542621447071
Energy: 0.7632086451375166
Energy: 0.7620948654534098
Energy: 0.8194055041588384

minimum gb energy = 0.7213337916262661 eV
minimum distance =  2.35255882443283 Angstroms
sigma value = 15


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

Energy: 0.9105048980796415
Energy: 0.8926797736135859
Energy: 0.9445965127459887
Energy: 0.8812446851722823
Energy: 0.8980426275134626
Energy: 0.9106129225310762
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Energy: 0.9030425675571321
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Energy: 0.907657477429397
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Energy: 0.8884970524755165
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Energy: 0.8981786814276327
Energy: 0.9046734136741476
Energy: 0.9079059774948727
Energy: 0.8874248282144572
Energy: 0.8889156458570139
Energy: 0.9042479928309528
Energy: 0.8706383653121039
Energy: 0.8714531962082668
Energy: 0.9567039272376344
Energy: 0.8802384250615681
Energy: 0.9023506300005691
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Energy: 0.8719932533865127
Energy: 0.895061697136106
Energy: 0.9078484652092654
Energy: 0.9089952165135151
Energy: 0.9264997207995281
Energy: 0.9025124318617215
Energy: 0.8893353149919154
Energy: 0.9337509958673944
Energy: 0.8904980266353509
Energy: 0.9423539089926366
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minimum gb energy = 0.8533502745845319 eV
minimum distance =  2.30030841660924 Angstroms
sigma value = 293


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

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Energy: 0.9237339238856532
Energy: 0.8849469273965042
Energy: 0.8798520222512196
Energy: 0.954358826411106
Energy: 0.8762807201603674
Energy: 0.9197971639220037
Energy: 0.8772291594446794
Energy: 0.9175441843762134
Energy: 0.9507705550568119
Energy: 0.8768588308825744
Energy: 0.8962679115789475
Energy: 0.9185366503815364
Energy: 0.9231448794686088
Energy: 0.8783344460289859
Energy: 0.8779347362743335
Energy: 0.924161173337842
Energy: 0.9190196547066144
Energy: 0.9235574359856141
Energy: 0.8767087943179499
Energy: 0.8782717785266615
Energy: 0.922589234459642
Energy: 0.8457871022108726
Energy: 0.931385274488568
Energy: 0.8766253357805266
Energy: 0.8765543641082828
Energy: 0.900994836173898
Energy: 0.849340418713573
Energy: 0.8996958679288836
Energy: 0.8770008687273902
Energy: 0.8775463643128466
Energy: 0.9054426174214761
Energy: 0.9052782058995062
Energy: 0.8791381919011333
Energy: 0.8757010438666871
Energy: 0.878080592418206
Energy: 0.8764149060489861
Energy: 0.9049253604820945
Energy: 0.8794072703022121
Energy: 0.8756029530698975
Energy: 0.8773231341608914
Energy: 0.8786539662841146
Energy: 0.8869508258174632
Energy: 0.8744156812078289
Energy: 0.8944124134358865
Energy: 0.9281887352770865
Energy: 0.9116584449224002
Energy: 0.9177340902716509
Energy: 0.8744011907515388
Energy: 0.8965235894289294
Energy: 0.8837139301763846
Energy: 0.9183472753267402
Energy: 0.8902061095287424
Energy: 0.8554962014167858
Energy: 0.84698563929113
Energy: 0.924752548288097
Energy: 0.9071840262959058
Energy: 0.8906705612763908
Energy: 0.8543899910360793
Energy: 0.8471438375569194
Energy: 0.9236014427474065
Energy: 0.9134397453830745
Energy: 0.8963961607065627
Energy: 0.8480403923085746
Energy: 0.929013859955132
Energy: 0.8773495298564391
Energy: 0.8871867683628991
Energy: 0.8988515681015153
Energy: 0.8473259308996576
Energy: 0.8542552912515404
Energy: 0.8779756238613161
Energy: 0.8787906627281296
Energy: 0.8772687319273278
Energy: 0.8803164134393928
Energy: 0.9131845753624013
Energy: 0.8774593657440796
Energy: 0.876295896734381
Energy: 0.8749611442971874
Energy: 0.8978593267784164
Energy: 0.9118395211404287
Energy: 0.8756090389029576
Energy: 0.8772540530284086
Energy: 0.9309183349436624
Energy: 0.8723272263109112
Energy: 0.9008674960100511
Energy: 0.8789810175134505
Energy: 0.9104036319778088
Energy: 0.8704038783037905
Energy: 0.8700370904637232
Energy: 0.9014655660450728
Energy: 0.8789475368578633
Energy: 0.9105933455531197
Energy: 0.8795244736607285
Energy: 0.9225322550093248
Energy: 0.9258039279513193
Energy: 0.8970424345311361
Energy: 0.9035757823639302
Energy: 0.8860045493421632
Energy: 0.9240988132913082
Energy: 0.9263021334210472
Energy: 0.8961511395596499
Energy: 0.8813801918247944
Energy: 0.9018249065089173
Energy: 0.9276779849093014
Energy: 0.9224070042323785
Energy: 0.9031845628643154
Energy: 0.9222047793067841
Energy: 0.9009997648179092
Energy: 0.9251934980985874
Energy: 0.9243614194823138
Energy: 0.9097364820066492
Energy: 0.9557963334749766
Energy: 0.8775977830894871
Energy: 0.8803104236512498
Energy: 0.9346406942267069
Energy: 0.8951054251820645
Energy: 0.8765138373477838
Energy: 0.8793166128777083
Energy: 0.882066126727738
Energy: 0.8956502851301057
Energy: 0.905624594333614
Energy: 0.8761964419781492
Energy: 0.8767928895383482
Energy: 0.9028523368771788
Energy: 0.8436129796243398
Energy: 0.8438196921014552
Energy: 0.8827864728426414
Energy: 0.8766757288462383
Energy: 0.9006581576937119
Energy: 0.8434950132084149
Energy: 0.8436904407854122
Energy: 0.8816785325485483
Energy: 0.8768968312029555
Energy: 0.8789906785832013
Energy: 0.894950322014603
Energy: 0.8750693103243005
Energy: 0.8867650572448487
Energy: 0.8785076146469959
Energy: 0.8793352177513922
Energy: 0.8969985027709466
Energy: 0.8751307353377342
Energy: 0.880121176715234
Energy: 0.8899758008064037
Energy: 0.8716326330620933
Energy: 0.873429291543029
Energy: 0.9223559460441572
Energy: 0.8769456049268917
Energy: 0.8863068042076948
Energy: 0.8714614986201108
Energy: 0.8703559317043786
Energy: 0.921858651258311
Energy: 0.8795195947833392
Energy: 0.8480893084431403
Energy: 0.8777768260102607
Energy: 0.9030543297465395
Energy: 0.9262471451216223
Energy: 0.8482043855379016
Energy: 0.8878660274135026
Energy: 0.8761703301461775
Energy: 0.9257135057476881
Energy: 0.9203873730947377
Energy: 0.8519326502000217
Energy: 0.9264446494929994
Energy: 0.8790115472877662
Energy: 0.8727744120078369
Energy: 0.9269900979164216
Energy: 0.8489978472465215
Energy: 0.9254398051921987
Energy: 0.8893987912128924
Energy: 0.8721200279888832
Energy: 0.9464922160714759
Energy: 0.8481889019425632
Energy: 0.8805417104457114
Energy: 0.8753340270707838
Energy: 0.8878568390359548
Energy: 0.9245455809540265
Energy: 0.8829811133442413
Energy: 0.8793058021189172
Energy: 0.8789374150378347
Energy: 0.8838459133279889
Energy: 0.9227048176947306
Energy: 0.8760778637610199
Energy: 0.911160433433178
Energy: 0.8786541010994086
Energy: 0.9014271038945033
Energy: 0.8706392609251234
Energy: 0.8705367434242459
Energy: 0.9117878304108215
Energy: 0.8794005016972481
Energy: 0.9017801558578563
Energy: 0.8705455444211591
Energy: 0.8696790100971452
Energy: 0.8759093310551079
Energy: 0.8963173899111124
Energy: 0.9505780756385463
Energy: 0.8982331976751137
Energy: 0.9209651044863904
Energy: 0.9040310713797951
Energy: 0.8971279192339152
Energy: 0.9506995667052262
Energy: 0.880177169935697
Energy: 0.9214964250436211
Energy: 0.8845632461403526
Energy: 0.8908829293008169
Energy: 0.8805265448153358
Energy: 0.8752181587404579
Energy: 0.919276591626421
Energy: 0.879198632994813
Energy: 0.8989528716620211
Energy: 0.9489469955906308
Energy: 0.8759378974297634
Energy: 0.9200583506059924
Energy: 0.8438625633272734
Energy: 0.9236467238505355
Energy: 0.8747358542649933
Energy: 0.8794681793333423
Energy: 0.9466764952115202
Energy: 0.9225694878176888
Energy: 0.9246659111700594
Energy: 0.8836866964510259
Energy: 0.8782161299870419
Energy: 0.9311322713014183

minimum gb energy = 0.8434950132084149 eV
minimum distance =  2.31702530069032 Angstroms
sigma value = 293


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

Energy: 0.8632561429740316
Energy: 0.8843509375981489
Energy: 0.955251896496069
Energy: 0.8837354359809202
Energy: 0.8739816913427775
Energy: 0.8633793281323882
Energy: 0.8862741622603855
Energy: 0.9542203012113716
Energy: 0.8848431200097014
Energy: 0.8721642449948996
Energy: 0.9385515405802144
Energy: 0.8792718879993418
Energy: 0.878030090158964
Energy: 0.8774629136813973
Energy: 0.880187881253254
Energy: 0.9346383544112894
Energy: 0.8795341864266689
Energy: 0.8710691186937963
Energy: 0.8781909644892729
Energy: 0.8810465854646476
Energy: 0.8800480230429423
Energy: 0.8791704971746013
Energy: 0.8808229446295253
Energy: 0.8849305759480095
Energy: 0.9359386513105805
Energy: 0.8789713626490093
Energy: 0.8776985173016524
Energy: 0.8794187859363264
Energy: 0.9571129008369671
Energy: 0.937303424038033
Energy: 0.954763420209722
Energy: 0.8670355670959177
Energy: 0.8695784075545726
Energy: 0.8798185503326597
Energy: 0.9376763403378112
Energy: 0.9543682879385864
Energy: 0.8663950472266415
Energy: 0.8713576441869645
Energy: 0.8795036437562238
Energy: 0.8664659961508672
Energy: 0.8801660194109315
Energy: 0.873398305659735
Energy: 0.866189032799605
Energy: 0.93258753119796
Energy: 0.8818476938507223
Energy: 0.8794597401323748
Energy: 0.8707617936854438
Energy: 0.866509385123676
Energy: 0.94177340946022
Energy: 0.8799412714083713
Energy: 0.8797217076123794
Energy: 0.9551003397905653
Energy: 0.8870850391078818
Energy: 0.87911266802931
Energy: 0.8763986784614021
Energy: 0.8803513088481273
Energy: 0.9519188830701317
Energy: 0.885069786944357
Energy: 0.8796115534502278
Energy: 0.8785460202470686
Energy: 0.8818848203499416
Energy: 0.8661900470920026
Energy: 0.87956707289094
Energy: 0.879582057635921
Energy: 0.9370862050127757
Energy: 0.8818122153505713
Energy: 0.8650055174033954
Energy: 0.8801044212173553
Energy: 0.8790511090964175
Energy: 0.8843701824070709
Energy: 0.8817254620631244
Energy: 0.9305338144990944
Energy: 0.8853149996233928
Energy: 0.8658168266153445
Energy: 0.8757549121961139
Energy: 0.8900207983220817
Energy: 0.9292449371294024
Energy: 0.8835619602548581
Energy: 0.8655790968512627
Energy: 0.8734565467355603
Energy: 0.8789621643583464
Energy: 0.8703503505779777
Energy: 0.87734712734416
Energy: 0.8683107469648641
Energy: 0.9392700799040907
Energy: 0.8786902748103611
Energy: 0.8779909801327549
Energy: 0.8782078241157885
Energy: 0.8673889486701478
Energy: 0.9440553380217337
Energy: 0.8796211555264069
Energy: 0.881698180697475
Energy: 0.9299656455313356
Energy: 0.8864686225512781
Energy: 0.8840068709835023
Energy: 0.8819312995670389
Energy: 0.8829296178420762
Energy: 0.9303272922975678
Energy: 0.9473573578112854
Energy: 0.8790788130118059
Energy: 0.8679720808621025
Energy: 0.8916767867140427
Energy: 0.876558950270811
Energy: 0.8799384273928524
Energy: 0.9393244721666463
Energy: 0.8684055495565556
Energy: 0.8830898198476171
Energy: 0.8646951771423188
Energy: 0.8805450689399881
Energy: 0.9377629245208949
Energy: 0.8634071375806966
Energy: 0.884372412857446
Energy: 0.9585229877070678
Energy: 0.8834582058366905
Energy: 0.8739473832255349
Energy: 0.8638009180433296
Energy: 0.8861319364978983
Energy: 0.8895860072546234
Energy: 0.8848605331866077
Energy: 0.8728334077866348
Energy: 0.9387609794216457
Energy: 0.878994262486892
Energy: 0.8781642568985712
Energy: 0.8780145230449168
Energy: 0.8808461492900331
Energy: 0.9349261130530309
Energy: 0.8793441233175583
Energy: 0.8716089111390234
Energy: 0.8781149103809335
Energy: 0.8847344918966237
Energy: 0.8801110225725943
Energy: 0.8795638347327002
Energy: 0.880594274802294
Energy: 0.888089699873201
Energy: 0.9361047589012461
Energy: 0.8790221488888518
Energy: 0.8780536931302196
Energy: 0.8797347823995835
Energy: 0.9511543534183718
Energy: 0.9375495833848592
Energy: 0.9547886737250448
Energy: 0.8668384956567209
Energy: 0.8692867712973006
Energy: 0.8793058237112404
Energy: 0.937798171571196
Energy: 0.9541407227333374
Energy: 0.8663033928356598
Energy: 0.8710381978732054
Energy: 0.8794891905185671
Energy: 0.9369277767628666
Energy: 0.8801445519672347
Energy: 0.8726263233820459
Energy: 0.8661211951831246
Energy: 0.9351505804797695
Energy: 0.8810153265948238
Energy: 0.8794246818224719
Energy: 0.8711011969921136
Energy: 0.8664678959331374
Energy: 0.8833362446170462
Energy: 0.8800547802861876
Energy: 0.8796965327138377
Energy: 0.952846613458485
Energy: 0.887324767214526
Energy: 0.8787730389664365
Energy: 0.875335123155625
Energy: 0.8801489336128556
Energy: 0.9508252429515678
Energy: 0.8852075574174996
Energy: 0.8792232650950398
Energy: 0.8787087167283358
Energy: 0.8825279006363914
Energy: 0.8660985420317975
Energy: 0.8798667306604742
Energy: 0.8793526166850961
Energy: 0.9339508014185944
Energy: 0.8813323914720314
Energy: 0.8650762343323016
Energy: 0.8809552337268383
Energy: 0.8788346919987879
Energy: 0.885024224673436
Energy: 0.8825916899986315
Energy: 0.9305294749653021
Energy: 0.8856289201041734
Energy: 0.8659143266008834
Energy: 0.8751765956106229
Energy: 0.8950386023664251
Energy: 0.9289737608884681
Energy: 0.8839183877287214
Energy: 0.8655069547351771
Energy: 0.8736152004456251
Energy: 0.8792043912393968
Energy: 0.8714275939838548
Energy: 0.8779694138481354
Energy: 0.8685180631336771
Energy: 0.9403868724227145
Energy: 0.8788627963098514
Energy: 0.8776960244635403
Energy: 0.8787485950280328
Energy: 0.8674949042749456
Energy: 0.8825982869483073
Energy: 0.8798197305215135
Energy: 0.8812776174130862
Energy: 0.9292856044450618
Energy: 0.8867919853912221
Energy: 0.8829949877408476
Energy: 0.8815993544547347
Energy: 0.8826628068576147
Energy: 0.931529222673214
Energy: 0.9416529842499772
Energy: 0.8798349630191798
Energy: 0.8673289159233826
Energy: 0.8913412358705439
Energy: 0.8767112664101686
Energy: 0.8805634270807879
Energy: 0.9401522093562183
Energy: 0.8678915758188258
Energy: 0.8820623796760214
Energy: 0.8645993519677643
Energy: 0.8804175017878094
Energy: 0.938254481990484

minimum gb energy = 0.8632561429740316 eV
minimum distance =  2.32276941047011 Angstroms
sigma value = 15


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

Energy: 0.841486577813739
Energy: 0.8803676308166118
Energy: 0.9340303915175561
Energy: 0.8443908865005102
Energy: 0.916075057752058
Energy: 0.8537233858715364
Energy: 0.8981578003761395
Energy: 0.9340613771220725
Energy: 0.8455355571096513
Energy: 0.8929240421544342
Energy: 0.8475314945977742
Energy: 0.8986938930327834
Energy: 0.8625926616882873
Energy: 0.8986772734906161
Energy: 0.9424322752028192
Energy: 0.8404207890045766
Energy: 0.8998790476847248
Energy: 0.8615314013238665
Energy: 0.9473246574319112
Energy: 0.9526218754203678
Energy: 0.8570207845886939
Energy: 0.8870603646759372
Energy: 0.8440346155638223
Energy: 0.9100526142514526
Energy: 0.8586950513982878
Energy: 0.8408007708337316
Energy: 0.8821190009772497
Energy: 0.8558782965075035
Energy: 0.8965397203982607
Energy: 0.972692459980969
Energy: 0.9081045952637037
Energy: 0.8554873506229848
Energy: 0.9024308352094178
Energy: 0.8488806525394587
Energy: 0.9668860535603166
Energy: 0.9074178956024227
Energy: 0.8552404616719148
Energy: 0.911120014021753
Energy: 0.9808895086599125
Energy: 0.8460753702002762
Energy: 0.8782930739329681
Energy: 0.9302104219428352
Energy: 0.838690713167301
Energy: 0.8438077610200555
Energy: 0.8310631956243655
Energy: 0.8661278445178534
Energy: 0.9335010760268649
Energy: 0.8750510900231753
Energy: 0.8441955565788964
Energy: 0.8433062233530005
Energy: 0.8316147338868345
Energy: 0.8424741062470354
Energy: 0.8416381537529817
Energy: 0.9746958656147544
Energy: 1.044424443378273
Energy: 0.848799675694777
Energy: 0.8432657987416408
Energy: 0.8425140264488695
Energy: 0.9890019127681292
Energy: 1.0235754991734702
Energy: 0.8454053287418141
Energy: 0.8415279273346336
Energy: 0.8433769886950622
Energy: 0.8606073428436793
Energy: 0.9255793014922981
Energy: 0.8450873407640959
Energy: 0.8425709075967858
Energy: 0.8434009618181549
Energy: 0.883722341177304
Energy: 0.9246791641538664
Energy: 0.8718688096932898
Energy: 0.8433956564225391
Energy: 0.866358228501854
Energy: 0.8401682246977766
Energy: 0.9432157514898316
Energy: 0.8473743691220936
Energy: 0.8434988641209858
Energy: 0.8812916971905624
Energy: 0.8406264524580053
Energy: 0.9439497288593356
Energy: 0.847028285867188
Energy: 1.0197085060752955
Energy: 0.9367344241349119
Energy: 0.8993687636533945
Energy: 0.8548710556805148
Energy: 0.8461288797972774
Energy: 1.0371559850694796
Energy: 0.9431603893628245
Energy: 0.9001874963406116
Energy: 0.8529815760047713
Energy: 0.9080516586018685
Energy: 0.8821800091396272
Energy: 0.8762000241953984
Energy: 0.8511264226294118
Energy: 0.8530750973117416
Energy: 0.8893362958457095
Energy: 0.8543437056597981
Energy: 0.8734243992721338
Energy: 0.8522392652911717
Energy: 0.8586151693945331
Energy: 0.9033349300785343
Energy: 0.8949113510712702
Energy: 0.8314505701228964
Energy: 0.8689932687959585
Energy: 0.8509067004710209
Energy: 0.9015660557973146
Energy: 0.8916307764325805
Energy: 0.8673878759094584
Energy: 0.870229159790178
Energy: 0.8510939965191701
Energy: 1.026562652004743
Energy: 0.8866365348361623
Energy: 0.8526540966143138
Energy: 0.832310844200961
Energy: 0.9579009060446267
Energy: 1.0272677035311881
Energy: 0.9134701522026611
Energy: 0.8317733291533361
Energy: 0.8327670769245746
Energy: 0.9575576428605869
Energy: 0.9367580480514619
Energy: 0.8941213298618
Energy: 0.8462005179734997
Energy: 0.9332841362505504
Energy: 0.9171569645780279
Energy: 0.9369329143901707
Energy: 0.857331544541318
Energy: 0.8457870180327729
Energy: 0.9330898445287409
Energy: 0.9321275901303395
Energy: 0.8967084579329643
Energy: 0.8952615641036028
Energy: 0.949901541573723
Energy: 0.877619666930443
Energy: 0.8678020190968578
Energy: 0.896558204654241
Energy: 0.8891527955345611
Energy: 0.8281275441387729
Energy: 0.8865962796175565
Energy: 0.864338493694195
Energy: 0.8429897534312991
Energy: 0.8381876747080858
Energy: 0.9930707672458471
Energy: 0.8476360017531684
Energy: 0.8484250441607062
Energy: 0.8432116838771925
Energy: 0.8359058966786399
Energy: 0.9929126841670104
Energy: 0.8467308178840194
Energy: 0.8493984036288895
Energy: 1.0147412819627397
Energy: 0.9938506715067746
Energy: 0.834219138680156
Energy: 0.8825502976164112
Energy: 0.8699425748528832
Energy: 1.003458429265846
Energy: 0.9935696033375113
Energy: 0.8343250463132125
Energy: 0.882182216744008
Energy: 0.8315074167044457
Energy: 0.8332593006160695
Energy: 0.8968133761247651
Energy: 0.8292374373187115
Energy: 0.870894987914446
Energy: 0.9060938626535552
Energy: 0.8417182136540773
Energy: 0.897509296080645
Energy: 0.8421263128516014
Energy: 0.9723579750248099
Energy: 0.9104968941661647
Energy: 0.8881271902515236
Energy: 1.0131763571828103
Energy: 0.8294817357024644
Energy: 0.9024128120294156
Energy: 0.8503313486901546
Energy: 0.8936537875610758
Energy: 1.0132899092766365
Energy: 0.8297324110676868
Energy: 0.8565980171279253
Energy: 0.8477888987499755
Energy: 0.8452235137705825
Energy: 0.8615060887555479
Energy: 0.8600159367559235
Energy: 0.845135103781449
Energy: 0.8522116166957301
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Energy: 0.825619515005246
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Energy: 0.82692690458557
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Energy: 0.8630089313465515
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Energy: 0.9406801788874664
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Energy: 0.8625855909708862
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Energy: 0.8276808163895527
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Energy: 0.9650625671545426
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Energy: 0.9214264788482269
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Energy: 0.8582753797241846
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Energy: 0.839569630219136
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Energy: 0.8453755109569652
Energy: 0.9999249690233604
Energy: 1.0231783956481821
Energy: 0.8601072649656195
Energy: 0.8463024306752578
Energy: 0.8456792401829153
Energy: 0.9991508866347776
Energy: 1.0456681777534744
Energy: 0.848876185851793
Energy: 0.8483955836021106
Energy: 0.847144387170607
Energy: 0.8609252784303834
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Energy: 0.9116231094491468
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Energy: 0.846177683649419
Energy: 0.8974027423364537
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Energy: 0.8602936805665982
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Energy: 0.9565966251461151
Energy: 0.837940546597497
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Energy: 0.8298190571086628
Energy: 0.8355992879760025
Energy: 0.8326733334875285
Energy: 0.8693832037333951
Energy: 0.8884295762639642
Energy: 0.8294251303333405
Energy: 0.8351876600198217
Energy: 0.8331360779797413
Energy: 0.864425422888566
Energy: 0.9111631451712706
Energy: 0.8820824118070246
Energy: 0.8571432867662284
Energy: 0.8671116287212718
Energy: 0.8326775333299176
Energy: 0.9011742908482501
Energy: 0.8565134876869462
Energy: 0.8582295713591671
Energy: 0.8674805674208587
Energy: 0.8331387556220605
Energy: 1.02631546998906
Energy: 0.9051475855679472
Energy: 0.84764546448184
Energy: 0.832022763144289
Energy: 0.8524641711579969
Energy: 1.0260616993963811
Energy: 0.9316230533812948
Energy: 0.8309332727817837
Energy: 0.8316359902616388
Energy: 0.8530097432806614
Energy: 0.9150967146098515
Energy: 0.8324988380760492
Energy: 0.8441728027666576
Energy: 0.90508991627944
Energy: 0.9129469743121282
Energy: 0.916346337204146
Energy: 0.8318583823243338
Energy: 0.8430265856104031
Energy: 0.9347091167954729
Energy: 0.8995080400294163
Energy: 0.8952055691848656
Energy: 0.8731405318189186
Energy: 0.9223989272186535
Energy: 0.86038611392655
Energy: 0.8654636882565788
Energy: 0.8950709847356333
Energy: 0.8781995280014786
Energy: 0.941806910391817
Energy: 0.8598239758274743
Energy: 0.8670627842822727
Energy: 0.859870420226639
Energy: 0.882273903134753
Energy: 0.8322236543583865
Energy: 0.8342224903740876
Energy: 0.8527949886221472
Energy: 0.8764117204482701
Energy: 0.8870879560068117
Energy: 0.8330598641432052
Energy: 0.8705118772111502
Energy: 0.8546365801882585
Energy: 1.0037774479083084
Energy: 0.9963686461653366
Energy: 0.871649980477222
Energy: 0.9092542401103543
Energy: 0.8722055974477779
Energy: 0.989565245165111
Energy: 0.9950084405126246
Energy: 0.8719059383202149
Energy: 0.9787470477986364
Energy: 0.8306452510172679
Energy: 0.8388289967187081
Energy: 0.8796937526262343
Energy: 0.8900799178556393
Energy: 0.885594786861879
Energy: 0.8916922312853689
Energy: 0.8408989691917733
Energy: 0.8643321089357547
Energy: 0.890149523078336
Energy: 0.8528380828834299
Energy: 0.9309216369722303
Energy: 0.8897084579370075
Energy: 0.9673222810076705
Energy: 1.0189504127792868
Energy: 0.9251290879726409
Energy: 0.8474096149818339
Energy: 0.9745477447512456
Energy: 0.9669465722813785
Energy: 1.0193509591189291
Energy: 0.9163883586496399
Energy: 0.8446283246115704
Energy: 0.8425547807750845
Energy: 0.8611549828347295
Energy: 0.8608439116013272
Energy: 0.842031611794822
Energy: 0.8489679970282563
Energy: 0.8426325733078777
Energy: 0.8539054423980355
Energy: 0.8510585181132918
Energy: 0.8434593004680853
Energy: 0.8505211773385669
Energy: 0.8525323600955745
Energy: 0.9083103757855565
Energy: 0.9166603407588558
Energy: 0.842183564653378
Energy: 0.8444141950849843
Energy: 0.8550860272642012
Energy: 0.9104646459756804
Energy: 0.9081840918065993
Energy: 0.8416591646590359
Energy: 0.845810785716497
Energy: 0.9079403799948279
Energy: 0.8395588050174958
Energy: 0.8549526737814274
Energy: 0.8551911407673713
Energy: 0.9117763818760151
Energy: 0.9070396628444262
Energy: 0.8393642975759612
Energy: 0.8535802298147876
Energy: 0.8826334490704526
Energy: 0.9237923631372057
Energy: 0.8473350727162726
Energy: 0.8437493346982767
Energy: 0.9037202337382375
Energy: 1.0401501547169774
Energy: 0.8468191869685828
Energy: 0.8389961019115277
Energy: 0.8377975323233204
Energy: 0.9119246770289632
Energy: 1.040013921622904
Energy: 0.8478378155273547
Energy: 0.8510600238680689
Energy: 0.8443367484593145
Energy: 0.8530151059946818
Energy: 0.8444321882409724
Energy: 0.8395680897472926
Energy: 0.8583186156266456
Energy: 0.8562856436476717
Energy: 0.8630722119567908
Energy: 0.8443350886382823
Energy: 0.8437961428070972
Energy: 0.84658160057855
Energy: 0.8419943291824165
Energy: 0.8496489711237567
Energy: 1.010173352061777
Energy: 0.9148433839982067
Energy: 0.8410844015383218
Energy: 0.84318541593807
Energy: 0.8494993596584011
Energy: 0.9466291039522321
Energy: 0.9270573456243328
Energy: 0.8844188070127805
Energy: 0.9419074428100868
Energy: 0.8913168122016764
Energy: 0.8993487840067076
Energy: 0.8293345158781099
Energy: 0.8584470083062983
Energy: 0.9584114032416992
Energy: 0.8424423775970803
Energy: 0.8649857209410714
Energy: 0.8306595826564152

minimum gb energy = 0.825619515005246 eV
minimum distance =  2.28715779485496 Angstroms
sigma value = 437


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

Energy: 1.223372269355395
Energy: 0.801470646668359
Energy: 0.8757422852930229
Energy: 0.857420151109769
Energy: 0.9450425330628037
Energy: 1.2227120739449078
Energy: 0.8026313880651389
Energy: 0.9039192916687995
Energy: 0.7603275936499428
Energy: 0.898164606915613
Energy: 0.761956933066216
Energy: 0.818884660421841
Energy: 0.7593667320018
Energy: 0.9438946936904474
Energy: 0.7884867149015986
Energy: 0.7606419296023584
Energy: 0.8165146186775557
Energy: 0.7584576444440475
Energy: 0.8808299877474158
Energy: 0.7876473312807342
Energy: 0.8562323184220721
Energy: 0.8680468732362528
Energy: 0.7865271831035779
Energy: 0.7863764771333875
Energy: 0.7612654943553311
Energy: 0.8556831666591888
Energy: 0.8691654021078831
Energy: 0.7874990610403405
Energy: 0.7877172996394967
Energy: 0.8551261241911777
Energy: 0.7884027828647898
Energy: 0.7921617008199261
Energy: 0.9073114301776373
Energy: 0.8549572730205628
Energy: 0.7615144183946955
Energy: 0.7894721998408958
Energy: 0.7877208047584789
Energy: 0.8805710715056797
Energy: 0.8556927309071733
Energy: 0.7616380291796631
Energy: 0.7780352795046251
Energy: 0.8003942591417589
Energy: 0.7861281414787233
Energy: 0.7865948756888418
Energy: 0.7605626553056659
Energy: 0.7772009574034041
Energy: 0.882935608439492
Energy: 0.7866132809018829
Energy: 0.7874284822743006
Energy: 0.7627171326850682
Energy: 0.8068400379813583
Energy: 0.7885121689152595
Energy: 0.757568861946775
Energy: 0.7783617491567634
Energy: 0.8139212444325387
Energy: 0.8070941279403337
Energy: 0.7875062041187859
Energy: 0.7577988308069682
Energy: 0.7807623221242305
Energy: 0.8132732885320507
Energy: 0.8740751740938705
Energy: 0.8522216631583349
Energy: 0.8506222767534704
Energy: 0.7861194474263559
Energy: 0.7865920148429135
Energy: 0.8738487098413111
Energy: 0.7614891030469841
Energy: 0.8536669780602458
Energy: 0.7874092451082499
Energy: 0.7869667074109111
Energy: 0.8667730045806045
Energy: 0.7600700038446538
Energy: 0.7880121832022601
Energy: 0.7842838674826291
Energy: 0.8804200055085203
Energy: 0.8668168169613328
Energy: 0.7577284424239422
Energy: 0.7881076025941617
Energy: 0.7747065994357512
Energy: 0.8803277974203114
Energy: 0.787728345300909
Energy: 0.7841640847034486
Energy: 0.8012572045104405
Energy: 0.7915255912816164
Energy: 0.7883346297746212
Energy: 0.786731294010062
Energy: 0.8796944856931864
Energy: 0.7999570013171787
Energy: 0.8492295911674616
Energy: 0.7869692084453973
Energy: 0.8057145621382641
Energy: 0.7845563808094072
Energy: 0.7611520906579998
Energy: 0.7589773763381404
Energy: 0.8006529339210412
Energy: 0.8591146321334165
Energy: 0.7839395598621655
Energy: 0.761492180356282
Energy: 0.9093881346261141
Energy: 0.8010558863552543
Energy: 0.7620443085614401
Energy: 0.7586135123668313
Energy: 0.8041391452478694
Energy: 0.8131108722626333
Energy: 0.7657235288603593
Energy: 0.7597578149458979
Energy: 0.7580156016064687
Energy: 0.8086665213842239
Energy: 0.813544734066175
Energy: 0.7891439296547711
Energy: 0.7614583588404992
Energy: 0.757106394727781
Energy: 0.758273174563608
Energy: 0.8836308692879397
Energy: 0.7606712461932523
Energy: 0.7601808146629541
Energy: 0.7578026306533774
Energy: 0.7580627130441657
Energy: 0.8844107803266483
Energy: 0.7597214006966788
Energy: 0.7616350850784528
Energy: 0.7624976261026598
Energy: 0.7798692306235828
Energy: 0.879697050546905
Energy: 0.807944360487647
Energy: 0.7622630194482388
Energy: 0.7638142554232207
Energy: 0.7847261539258854
Energy: 0.8785066262515827
Energy: 0.7609925159970709
Energy: 0.7576773901934749
Energy: 0.8064672555755125
Energy: 0.9007717133124509
Energy: 0.7865681758027275
Energy: 0.7677223636312894
Energy: 0.7592462025017266
Energy: 0.8049381770963969
Energy: 0.9370804066742724
Energy: 0.7871442800539398
Energy: 0.8057507123465639

minimum gb energy = 0.757106394727781 eV
minimum distance =  2.37976847270807 Angstroms
sigma value = 33