Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.605663573741914
cohesive_energy=4.1815964231097436
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.66573498107078e-19, 2.57380063192296e-19, 3.2803284839842794e-19, 3.8315253113792997e-19, 4.2745431724466396e-19, 4.65018950605428e-19, 4.99571491894272e-19, 5.3185855542264e-19, 5.6050707581519395e-19, 5.844291751374479e-19, 6.03615240329598e-19, 6.18675700689198e-19, 6.303571705276919e-19, 6.3937261844721e-19, 6.463549042181819e-19, 6.5183755265973e-19, 6.562339253434259e-19, 6.59843629299828e-19, 6.628461083119439e-19, 6.653262777413759e-19, 6.672969550011959e-19, 6.687373117951621e-19, 6.69616906767228e-19, 6.699133094445179e-19, 6.6958326105791405e-19, 6.685082005365e-19, 6.665679646327258e-19, 6.63671229278454e-19, 6.59731476935448e-19, 6.546718031252761e-19, 6.48428120782578e-19, 6.40912310192484e-19, 6.31943325395352e-19, 6.21159074471898e-19, 6.08000397776856e-19, 5.91765541944534e-19, 5.718568950904499e-19, 5.4820876797261e-19, 5.19808584958326e-19, 4.75386635604042e-19, 3.7421238552020996e-19, 1.219350946895406e-19, -4.14688173824952e-19, -1.352270724805314e-18, -2.60767064596572e-18, -3.2906144579745595e-18, 1.9720711534915798e-19, 2.009129499036e-17, 9.674551343212919e-17, 3.6762743955447e-16, 1.3363563042997918e-15, 5.0924543441036396e-15]
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: 0.01621023744879994
Energy: 0.09541058534737117
Energy: 0.8224096406846244
Energy: 0.016590574105935174
Energy: 0.09541058534551479
Energy: 0.8856835846173648
Energy: 0.016590574106530614
Energy: 0.8856837314837415
Energy: 0.8224096406864808
Energy: 0.016590574105935174
Energy: 0.01621023744879994
Energy: 0.09541058534428888
Energy: 0.016590574105935174
Energy: 0.8856837350884119
Energy: 0.09541058534428888
Energy: 0.8856841191631064

minimum gb energy = 0.01621023744879994 eV
minimum distance =  2.45527817975665 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.7331583236747763
Energy: 0.6420911804498939
Energy: 0.6036327339358144
Energy: 0.5785467828857133
Energy: 0.6390946740172261
Energy: 0.648018515207215
Energy: 0.6177764533581882
Energy: 0.6480185152156259
Energy: 0.596532769882673
Energy: 0.6050017279983274
Energy: 0.6265722126781615
Energy: 0.6050017076339967
Energy: 0.6140945774612875
Energy: 0.6301392337882654
Energy: 0.6156538914557218
Energy: 0.6301406350286171
Energy: 0.6709785379329227
Energy: 0.6189131719864897
Energy: 0.6200335838448984
Energy: 0.618911979740829
Energy: 0.6065795889641452
Energy: 0.78775785553914
Energy: 0.6130637586098675
Energy: 0.7877578555353169
Energy: 0.616444603436606
Energy: 0.8899725736307302
Energy: 0.6197975367222099
Energy: 0.8899725736299656
Energy: 0.6576017475435761
Energy: 0.8957915819215131
Energy: 0.6238198063670887
Energy: 0.8957915819215131
Energy: 0.6320002650545858
Energy: 0.8962854262656768
Energy: 0.5818874953310589
Energy: 0.8962854262679706
Energy: 0.6556902790714655
Energy: 0.7919966637552851
Energy: 0.666339424733652
Energy: 0.7919966581263425
Energy: 0.5727686514521535
Energy: 0.8940170089974797
Energy: 0.583672645234712
Energy: 0.8940170089951859
Energy: 0.6624810728993318
Energy: 0.8924577928648575
Energy: 0.6246160622531588
Energy: 0.892457792867916
Energy: 0.6154341746022094
Energy: 0.8811514519799591
Energy: 0.6447115428419123
Energy: 0.8811514519769007
Energy: 0.6061517062190949
Energy: 0.8758394761240076
Energy: 0.6608656421703221
Energy: 0.8758394761125383
Energy: 0.6545116826366707
Energy: 0.7566183844634494
Energy: 0.6169687032298425
Energy: 0.7566183844847892
Energy: 0.5709922621283936
Energy: 0.6316554690520106
Energy: 0.6153673947379948
Energy: 0.6316553788352419
Energy: 0.599159803706706
Energy: 0.5945356924277245
Energy: 0.5789240262101903
Energy: 0.5945356929428717
Energy: 0.617120534534727
Energy: 0.7428624916657506
Energy: 0.654708340811477
Energy: 0.7428624428822775
Energy: 0.6335291066048024
Energy: 0.6023232504015522
Energy: 0.6014612964213468
Energy: 0.6023232576774915
Energy: 0.6240064900782188
Energy: 0.6141956548735439
Energy: 0.6130593173449936
Energy: 0.6141956548765329
Energy: 0.6142777628446946
Energy: 0.6167000880298772
Energy: 0.6697054886481241
Energy: 0.6167001295189902
Energy: 0.6215720070594811
Energy: 0.6155056949732727
Energy: 0.6100731806473364
Energy: 0.6155056955006537
Energy: 0.6175508063782971
Energy: 0.8864036694385867
Energy: 0.6153924514382575
Energy: 0.8864036694408808
Energy: 0.6115887896476309
Energy: 0.7857300352533236
Energy: 0.6546848096506884
Energy: 0.7857300233090857
Energy: 0.5828098643737083
Energy: 0.8928459247296238
Energy: 0.6312757526308507
Energy: 0.8928459247303884
Energy: 0.6671500295042067
Energy: 0.8978337947493271
Energy: 0.6585348558001849
Energy: 0.8978337947486321
Energy: 0.5841885584613041
Energy: 0.8949552804859044
Energy: 0.5732158359638329
Energy: 0.8949552804859044
Energy: 0.6251579162093942
Energy: 0.8948690411238616
Energy: 0.6664869499936801
Energy: 0.8948690411223322
Energy: 0.6513625399789736
Energy: 0.8821000661417352
Energy: 0.6142984812075893
Energy: 0.8821000660898104
Energy: 0.6454479046366447
Energy: 0.88435142180128
Energy: 0.6213792006342732
Energy: 0.8843514218043383
Energy: 0.6631789114205907
Energy: 0.7385672657128246
Energy: 0.6554016819045306
Energy: 0.738567265330722
Energy: 0.6176582732341617
Energy: 0.7288929684039035
Energy: 0.5716714404695794
Energy: 0.7288929656662768
Energy: 0.5785529168648353
Energy: 0.6128527379744256
Energy: 0.6011332952232388
Energy: 0.6128527194497073

minimum gb energy = 0.5709922621283936 eV
minimum distance =  2.32863016930451 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.5051002126324955
Energy: 0.6645330294241646
Energy: 0.6591492251567997
Energy: 0.638292234989874
Energy: 0.6858557360166374
Energy: 0.7150673464744695
Energy: 0.6707215381447232
Energy: 0.7150673464622642
Energy: 0.6545038932080378
Energy: 0.6575939558628886
Energy: 0.6955738493298331
Energy: 0.6575939559439663
Energy: 0.6532560449067194
Energy: 0.6721420612460866
Energy: 0.6796543303909052
Energy: 0.6721420624085576
Energy: 0.6894830838959384
Energy: 0.676849041266963
Energy: 0.6768416596594944
Energy: 0.6768490546641306
Energy: 0.668101834606781
Energy: 0.8558509330531155
Energy: 0.6767239126283382
Energy: 0.8558509330496283
Energy: 0.6713045880905743
Energy: 0.953981719530736
Energy: 0.6796649841936605
Energy: 0.9539817195420693
Energy: 0.7172545098430393
Energy: 0.8527343602345737
Energy: 0.6759173567395828
Energy: 0.8527343602799073
Energy: 0.6712459332574513
Energy: 0.9599126913127379
Energy: 0.634061543352715
Energy: 0.9599126913075071
Energy: 0.6833393445096704
Energy: 0.9589001574547252
Energy: 0.7214717777713652
Energy: 0.9589001574486226
Energy: 0.7084684558102144
Energy: 0.950342810062714
Energy: 0.6748862701932531
Energy: 0.9503428100174198
Energy: 0.7194085202529249
Energy: 0.9502442274997174
Energy: 0.667026772807154
Energy: 0.9502442273664106
Energy: 0.680628815005965
Energy: 0.7968534946817555
Energy: 0.721513068576678
Energy: 0.7968534868564446
Energy: 0.6769172646612109
Energy: 0.7938815707198056
Energy: 0.6325406931590826
Energy: 0.79388157071719
Energy: 0.6371852578002632
Energy: 0.661718697319299
Energy: 0.657287428753051
Energy: 0.6617186972234401
Energy: 0.7020855732169657
Energy: 0.6701642904209772
Energy: 0.665432797182011
Energy: 0.6701642904070284
Energy: 0.6600173323390065
Energy: 0.6612307237824212
Energy: 0.6985900405019126
Energy: 0.6612307237702555
Energy: 0.654352968333945
Energy: 0.662027470463114
Energy: 0.663483533929003
Energy: 0.6620274704264983
Energy: 0.6873796262139273
Energy: 0.8008946560200856
Energy: 0.6766717709199721
Energy: 0.8008946560104957
Energy: 0.6704794143376472
Energy: 0.8037191203114786
Energy: 0.6798304537251216
Energy: 0.8037191204613495
Energy: 0.6712248415639811
Energy: 0.955922407646546
Energy: 0.6813826175155664
Energy: 0.9559224076413153
Energy: 0.7185230871045148
Energy: 0.9467790541484989
Energy: 0.6755024154719528
Energy: 0.9467790541546016
Energy: 0.6714412048802582
Energy: 0.9629147202956264
Energy: 0.6367247214575563
Energy: 0.9629147202259217
Energy: 0.6810418246459126
Energy: 0.9605681657974439
Energy: 0.7244338726656411
Energy: 0.9605681657878542
Energy: 0.7095550723179301
Energy: 0.9522034619355159
Energy: 0.6775939543949101
Energy: 0.9522034619302849
Energy: 0.7113445795182396
Energy: 0.9500656033423427
Energy: 0.6677647292818606
Energy: 0.9500656033467015
Energy: 0.6825556347255142
Energy: 0.7327984958047185
Energy: 0.7208555844281005
Energy: 0.7327985006550386
Energy: 0.6767010385242141
Energy: 0.7332264812574028
Energy: 0.632638922186574
Energy: 0.7332264767243003
Energy: 0.6430070392500921
Energy: 0.6745396619344982
Energy: 0.6578816728313528
Energy: 0.674539661889204

minimum gb energy = 0.6325406931590826 eV
minimum distance =  2.33618196287468 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.4438796455291028
Energy: 0.7285709872417386
Energy: 0.7285407662435032
Energy: 0.7162306653590516
Energy: 0.7488910428887591
Energy: 0.7962999783442962
Energy: 0.7404333184535834
Energy: 0.7962999783939553
Energy: 0.7250644100407826
Energy: 0.7304370603856537
Energy: 0.7389538302614507
Energy: 0.7304370605386389
Energy: 0.7251809342915808
Energy: 0.7975019079409437
Energy: 0.7222974414212331
Energy: 0.7975019079379032
Energy: 0.7346208543545963
Energy: 0.7225635395127287
Energy: 0.7143837300360198
Energy: 0.7225626325837371
Energy: 0.7104253732592016
Energy: 0.9000902875340356
Energy: 0.7196193005691403
Energy: 0.9000902875299819
Energy: 0.7050472475840205
Energy: 1.0361319131987683
Energy: 0.715635900789289
Energy: 1.0361319131876203
Energy: 0.7049561026649624
Energy: 0.8986463389082745
Energy: 0.7181555048654839
Energy: 0.898646338891046
Energy: 0.7099080777877678
Energy: 1.0365236248531382
Energy: 0.7100897994709192
Energy: 1.0365236248511114
Energy: 0.7066000784338121
Energy: 1.0344814257070452
Energy: 0.7210661533828028
Energy: 1.0344814257070452
Energy: 0.7053668558585608
Energy: 0.8770115679116618
Energy: 0.7220036174227248
Energy: 0.8770115678995003
Energy: 0.7063802292603704
Energy: 0.8809721682363351
Energy: 0.7222586707620604
Energy: 0.8809721682211332
Energy: 0.7277429918148743
Energy: 0.7283542055053822
Energy: 0.7169759190498951
Energy: 0.7283541796383726
Energy: 0.734026713082469
Energy: 0.7472515795508436
Energy: 0.7707735440168336
Energy: 0.7472515795396957
Energy: 0.7369193171114486
Energy: 0.7328233701746267
Energy: 0.7250578193888443
Energy: 0.7328233700773815
Energy: 0.7372866773669956
Energy: 0.7222374045249413
Energy: 0.7227554261745694
Energy: 0.7222374544537734
Energy: 0.7182759276846287
Energy: 0.8795758412782293
Energy: 0.7321070251561829
Energy: 0.8795758409824397
Energy: 0.7207784046515414
Energy: 0.8837146716738388
Energy: 0.7110901891233639
Energy: 0.8837146715583515
Energy: 0.7129313929331836
Energy: 1.0378830638192549
Energy: 0.7095413947853147
Energy: 1.0378830638132202
Energy: 0.7156866315485841
Energy: 1.033814433313137
Energy: 0.7065118265423912
Energy: 1.0338144333141503
Energy: 0.7077222174875035
Energy: 1.0385389394963298
Energy: 0.708104956995598
Energy: 1.038538939497343
Energy: 0.7058631327494735
Energy: 1.0341582943889251
Energy: 0.7078533170505337
Energy: 1.0341582943939924
Energy: 0.7240151843527963
Energy: 0.8763737152647061
Energy: 0.707367136964406
Energy: 0.8763737152829021
Energy: 0.7219637559221634
Energy: 0.8735787704143727
Energy: 0.7088633480704691
Energy: 0.8735787706868992
Energy: 0.7172915627630855
Energy: 0.7082009586961333
Energy: 0.7321321683693766
Energy: 0.7082009586951198

minimum gb energy = 0.7049561026649624 eV
minimum distance =  2.35363987908658 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8626825075359037
Energy: 0.8232045469507702
Energy: 0.8239602684484881
Energy: 0.8270889625158823
Energy: 0.8496767126522474
Energy: 0.8219994475915477
Energy: 0.8351123957710386
Energy: 0.8219994745397237
Energy: 0.828296359019451
Energy: 0.8294671015114748
Energy: 0.8373239637587436
Energy: 0.8294671015247737
Energy: 0.8276757200306948
Energy: 0.9136043470103659
Energy: 0.8570181155620527
Energy: 0.9136043470115749
Energy: 0.8540516954353641
Energy: 0.9887903736754562
Energy: 0.8543172839705894
Energy: 0.9887903736621575
Energy: 0.8567526576660689
Energy: 0.856363112519515
Energy: 0.8537361153418742
Energy: 0.8563631125183061
Energy: 0.8821905130666707
Energy: 1.131368362105625
Energy: 0.8506549849231215
Energy: 1.1313683621044162
Energy: 0.8531931649191676
Energy: 1.0368104027090257
Energy: 0.8573809816509401
Energy: 1.036810402745295
Energy: 0.8538167112988663
Energy: 0.9870723537831056
Energy: 0.8391901622798719
Energy: 0.9870723535498834
Energy: 0.8481684404665609
Energy: 0.9886118508895461
Energy: 0.8174787473647299
Energy: 0.9886118508774563
Energy: 0.8213571610710448
Energy: 0.829294142259937
Energy: 0.8301894462138746
Energy: 0.8292941422454293
Energy: 0.819451905147875
Energy: 0.827537046452438
Energy: 0.8314807398251394
Energy: 0.8275370464633189
Energy: 0.8334576574576814
Energy: 0.8338087933152408
Energy: 0.8502010543733475
Energy: 0.8338087933116137
Energy: 0.8277869742913937
Energy: 0.8302467282723373
Energy: 0.8316529662706078
Energy: 0.8302467283351764
Energy: 0.8560573227575389
Energy: 0.9927470529621573
Energy: 0.8520214769806189
Energy: 0.992747052928306
Energy: 0.8327574962389629
Energy: 0.9909510316706782
Energy: 0.8515938532750911
Energy: 0.9909510316585884
Energy: 0.8868290714555084
Energy: 1.1358598130803286
Energy: 0.8576402806854684
Energy: 1.1358598130754924
Energy: 0.8810652281641808
Energy: 1.1334885407377024
Energy: 0.85330291810219
Energy: 1.1334885407461652
Energy: 0.854502914767156
Energy: 0.9868056890398154
Energy: 0.8187789244618587
Energy: 0.9868056890361885
Energy: 0.8517256484265099
Energy: 0.9860577104840237
Energy: 0.8190814187142877
Energy: 0.9860577104236026
Energy: 0.8218356717687305
Energy: 0.84647846704065
Energy: 0.8309690616673922
Energy: 0.8464784670370231

minimum gb energy = 0.8174787473647299 eV
minimum distance =  2.32687837310721 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1995630309902245
Energy: 0.9727687423080733
Energy: 0.9708668376479237
Energy: 0.9472726118189367
Energy: 0.9915883848567768
Energy: 0.9705053435984641
Energy: 0.9753540028244353
Energy: 0.9705053432487734
Energy: 0.9705419679385731
Energy: 0.9694713224361884
Energy: 0.9915804050182558
Energy: 0.9694727520959983
Energy: 0.971604934625356
Energy: 1.0174393492058595
Energy: 0.9721859151967127
Energy: 1.0174393492058595
Energy: 0.9654208467768514
Energy: 1.1127069709198456
Energy: 0.9758581279784081
Energy: 1.1127069708496082
Energy: 0.9411721132753026
Energy: 1.1135642168047595
Energy: 0.9663330674667581
Energy: 1.113564213288279
Energy: 0.9385560273813436
Energy: 1.1090788329362549
Energy: 0.9708713143444387
Energy: 1.109078832928779
Energy: 0.975332834266238
Energy: 1.0192207610976032
Energy: 0.9693308599577685
Energy: 1.0192207610990984
Energy: 0.9687911151836619
Energy: 0.970567433600233
Energy: 0.9833639509126189
Energy: 0.9705674337616391
Energy: 0.992003361748691
Energy: 0.9712500113904083
Energy: 0.9691428587002238
Energy: 0.9712500113874182
Energy: 0.9899898438462765
Energy: 0.9805985546863122
Energy: 0.9891447510971045
Energy: 0.9805985547132247
Energy: 0.9699127132294916
Energy: 0.9698419873146907
Energy: 0.9698312845982475
Energy: 0.9698419874193159
Energy: 0.9676129830892612
Energy: 1.114779983349804
Energy: 0.9656573409295234
Energy: 1.1147799833542895
Energy: 0.9681859206731922
Energy: 1.1083804263975063
Energy: 0.9699661492636019
Energy: 1.1083804263840842
Energy: 0.9706617904398335
Energy: 1.1099287459015528
Energy: 0.9767038577248287
Energy: 1.1099287459105236
Energy: 0.9674761585719194
Energy: 1.1091512035077753
Energy: 0.9386267892782777
Energy: 1.1091512035077753
Energy: 0.9827460118816019
Energy: 0.9686046012423994
Energy: 0.9695326204031134
Energy: 0.9686046028115737

minimum gb energy = 0.9385560273813436 eV
minimum distance =  2.34818237730092 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.4797230865482751
Energy: 1.0297615763332775
Energy: 1.0270229272856926
Energy: 1.0130570028478434
Energy: 0.9700043638187209
Energy: 0.98573810379849
Energy: 1.0064979367314575
Energy: 0.9857381040659541
Energy: 0.9830606034779662
Energy: 0.9903405068211334
Energy: 1.014940789814907
Energy: 0.9903405068118187
Energy: 0.9833625566519796
Energy: 1.0031395904939555
Energy: 0.9798445174984214
Energy: 1.0031395903915346
Energy: 0.9765067147270713
Energy: 1.1908107698217927
Energy: 0.9557431739155493
Energy: 1.1908107698336472
Energy: 0.9798069087111196
Energy: 1.1151299097389515
Energy: 1.002236350656842
Energy: 1.115129909745726
Energy: 1.0052452242183183
Energy: 0.9952708825904104
Energy: 0.9843408838881336
Energy: 0.9952708813826076
Energy: 1.0481597215319736
Energy: 0.9827228922417791
Energy: 0.9718514953944498
Energy: 0.982722891215955
Energy: 1.0074093751300257
Energy: 1.0290124720121065
Energy: 1.0204616826653166
Energy: 1.0290124720095664
Energy: 1.028512328115551
Energy: 1.0285088829528068
Energy: 1.0094508881102287
Energy: 1.0285088829528068
Energy: 0.9695366961174396
Energy: 0.9799441936955782
Energy: 0.9780624890171046
Energy: 0.9799441931606501
Energy: 1.0310508048814233
Energy: 1.0832778191116628
Energy: 0.964238814710874
Energy: 1.0832608389184133
Energy: 1.0046732035874437
Energy: 1.11361914201681
Energy: 0.9885030916322405
Energy: 1.113619141999028
Energy: 0.9838181697806841
Energy: 1.1029493034801774
Energy: 0.9811049314092573
Energy: 1.1029493038407094
Energy: 1.0276648342239088
Energy: 1.0302758683168312
Energy: 1.0527211581049685
Energy: 1.0302758683168312
Energy: 1.0120332613514882
Energy: 1.0295582746779095
Energy: 1.0465720161250223
Energy: 1.0295582746770628
Energy: 1.0311335338922603
Energy: 0.9849457343759995
Energy: 0.9828798146513053
Energy: 0.9849457343675319
Energy: 1.0301543435331721
Energy: 0.9810211944354706
Energy: 0.9802239708534818
Energy: 0.9810211946614429
Energy: 0.983094839171333
Energy: 1.1930334260741375
Energy: 1.0149578885710677
Energy: 1.1930334260800648
Energy: 0.9540887934584089
Energy: 1.1179519207473974
Energy: 0.9914774083348826
Energy: 1.1179519207457036
Energy: 0.9815745031950001
Energy: 0.9807641392597181
Energy: 1.0458620306050361
Energy: 0.9807641392825809
Energy: 0.9782820035801048
Energy: 0.9661997100019036
Energy: 0.9797978856901661
Energy: 0.9661997125901737
Energy: 1.0090399846510885
Energy: 1.028282260116852
Energy: 1.0185010866669741
Energy: 1.028282260116852
Energy: 1.0199752237313762
Energy: 1.029591511842969
Energy: 1.0300478078717397
Energy: 1.029591511847203
Energy: 0.9842454305415317
Energy: 1.1035795543131368
Energy: 1.0312195927655
Energy: 1.1035795543418885
Energy: 0.9731314615060754
Energy: 1.1174872730875078
Energy: 1.0150060677727832
Energy: 1.1174872731273062
Energy: 0.9587793893627519
Energy: 0.9635492216789382
Energy: 1.0048942609647606
Energy: 0.9635492216924865
Energy: 0.9738983874681015
Energy: 1.1074234576805815
Energy: 0.9763889886265789
Energy: 1.1074234576805815
Energy: 0.9758942945220143
Energy: 1.0374415297223925
Energy: 1.0142975815582256
Energy: 1.0374415297215456
Energy: 1.050890984985423
Energy: 1.029575069551347
Energy: 1.0294780075155543
Energy: 1.029575069570823

minimum gb energy = 0.9540887934584089 eV
minimum distance =  2.32975710152722 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.7476227821556745
Energy: 1.0776434703776732
Energy: 1.0507885532768118
Energy: 0.9627243421378509
Energy: 1.0541831919891775
Energy: 1.2589529303898996
Energy: 1.0357941173765117
Energy: 1.2589529303529048
Energy: 1.039110165822372
Energy: 1.043064905108766
Energy: 1.0244844507735769
Energy: 1.0430649051107155
Energy: 1.041686509686524
Energy: 1.0468734701154045
Energy: 1.0424498285993051
Energy: 1.046873470107607
Energy: 1.0556589502611706
Energy: 1.0463739649092447
Energy: 0.964755280158169
Energy: 1.0463739649033967
Energy: 1.0703832756294096
Energy: 0.9424219803911775
Energy: 0.9633438320694535
Energy: 0.9424219803892281
Energy: 1.0670802760013103
Energy: 0.9479989174441104
Energy: 1.0526680419145555
Energy: 0.9479989174791998
Energy: 1.069983483947615
Energy: 0.9528838956557556
Energy: 1.0660567273543395
Energy: 0.952883895647958
Energy: 1.042421538072807
Energy: 1.044235414151533
Energy: 1.040620577079303
Energy: 1.0442354141612802
Energy: 1.0446614679203645
Energy: 1.0469786049147718
Energy: 1.0282537279577917
Energy: 1.0469786047764078
Energy: 1.0566672623708415
Energy: 1.0459809808547658
Energy: 0.963049065670888
Energy: 1.0459809808528164
Energy: 1.0425176726578578
Energy: 1.2048534648563973
Energy: 0.9646574189519024
Energy: 1.2048534648622458
Energy: 1.0538464606906666
Energy: 1.034490291986245
Energy: 1.0334102866775858
Energy: 1.0344902871811203

minimum gb energy = 0.9424219803892281 eV
minimum distance =  2.32971742670109 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.3070450558315414
Energy: 1.097856186660412
Energy: 1.0868635558684405
Energy: 1.003482873181561
Energy: 0.9862282124178176
Energy: 1.0858781369031714
Energy: 1.0755680862353403
Energy: 1.0858781369089436
Energy: 0.9774917427502302
Energy: 1.021033609591949
Energy: 1.0874227674484034
Energy: 1.021033609589063
Energy: 0.9693958327099192
Energy: 0.9980111631455947
Energy: 1.10316260675742
Energy: 0.9980111631830475
Energy: 0.9721296852760033
Energy: 1.010386937175533
Energy: 1.121311092307776
Energy: 1.0103869372325323
Energy: 0.9801423286514762
Energy: 0.9779418272964383
Energy: 1.116531122141145
Energy: 0.9779418261468761
Energy: 1.1686279364153638
Energy: 1.0512265784493933
Energy: 1.0656168684178036
Energy: 1.0512265784083328
Energy: 1.0723456715352793
Energy: 1.05317846103409
Energy: 1.048368958706581
Energy: 1.053178460845907
Energy: 0.9833586070166522
Energy: 1.0488314104498755
Energy: 1.0059438769225326
Energy: 1.0488313941705116
Energy: 0.987886559579745
Energy: 1.1570236335706163
Energy: 1.0523855506910955
Energy: 1.1570236336001984
Energy: 0.9816152684194607
Energy: 1.002774846918198
Energy: 1.0758438132129002
Energy: 1.0027748466326112
Energy: 1.0018976393454755
Energy: 0.9855642094397364
Energy: 1.1317700208020178
Energy: 0.9855642093106517
Energy: 1.1488981288545899
Energy: 0.9801892827713706
Energy: 1.0387106446260996
Energy: 0.9801892829170502
Energy: 1.1578710533135679
Energy: 1.001740034027539
Energy: 0.983167016656307
Energy: 1.0017400340218325
Energy: 1.0475519830674522
Energy: 1.0275478377756337
Energy: 0.9881736189207208
Energy: 1.0275478377640899
Energy: 1.0218839802034179
Energy: 1.0410025555331994
Energy: 0.9882877802309011
Energy: 1.0410025555562876
Energy: 1.0524761023304203
Energy: 1.035134521319084
Energy: 0.9880538507232103
Energy: 1.0351345213234129
Energy: 1.0587220257101535
Energy: 1.0905700750787908
Energy: 1.134247898563856
Energy: 1.0905700676952512
Energy: 1.0750008278558993
Energy: 1.0510654917176396
Energy: 0.9951085977238773
Energy: 1.051065491705374
Energy: 1.0887022490816198
Energy: 0.991325973104485
Energy: 0.97725489557896
Energy: 0.9913259727510763
Energy: 1.1045266373342677
Energy: 1.0202697171056565
Energy: 0.9718489517438081
Energy: 1.0202697171063781
Energy: 1.1143804851866972
Energy: 0.9738039769937864
Energy: 0.9837108436170124
Energy: 0.9738045659165229
Energy: 1.1168630500738517
Energy: 0.981828111070005
Energy: 0.9767556241948244
Energy: 0.9818281109661076
Energy: 1.0631748110568622
Energy: 1.0503346750253226
Energy: 1.074380006792488
Energy: 1.0503346750209936
Energy: 1.0543260321208612
Energy: 1.0475878002899668
Energy: 1.0733440070090805
Energy: 1.04758780028203
Energy: 0.9934882622484326
Energy: 1.0430170835645063
Energy: 0.9842921280227431
Energy: 1.0430170843852566
Energy: 1.0555504284171866
Energy: 1.1644019164183748
Energy: 0.9903312316157974
Energy: 1.164401916437134
Energy: 1.176117212437604
Energy: 0.9826468849002824
Energy: 0.980277788356736
Energy: 0.9826468849464591
Energy: 1.1122084757350135
Energy: 0.9868625298154373
Energy: 0.9934058905662013
Energy: 0.986862530050584
Energy: 1.0407200552962879
Energy: 0.9817598923542311
Energy: 1.1442603924409838
Energy: 0.9817598923585602
Energy: 0.9860578123165735
Energy: 0.9874832706906902
Energy: 1.0756551777901917
Energy: 0.9874832707202722
Energy: 0.9881804432980695
Energy: 0.9869246080918528
Energy: 1.0479382496793137
Energy: 0.9869242842423669
Energy: 0.992657009029155
Energy: 1.04039739491286
Energy: 1.0139591590933916
Energy: 1.0403973948717338
Energy: 0.9961547906609061
Energy: 1.0328141629621048
Energy: 0.9968652582362776
Energy: 1.0328141629541683
Energy: 1.1093198002317157
Energy: 1.0545195914904302
Energy: 1.0609089743325824
Energy: 1.0545195914644558

minimum gb energy = 0.9693958327099192 eV
minimum distance =  2.32117754049263 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4437489573797644
Energy: 1.0156152109749674
Energy: 1.0618590519232067
Energy: 0.9692344214258214
Energy: 0.9784506915598735
Energy: 1.0711043459270517
Energy: 1.0281804489963096
Energy: 1.0711043459281966
Energy: 0.9604423071061019
Energy: 0.9607370993026844
Energy: 1.0426901798209625
Energy: 0.9607370993026844
Energy: 0.9615360390448325
Energy: 0.9630448694244923
Energy: 1.0670679268690366
Energy: 0.9630448688420566
Energy: 0.9609354805504821
Energy: 0.960080464190722
Energy: 1.0685671583324212
Energy: 0.9600804641987091
Energy: 0.975061545905939
Energy: 1.089987909961467
Energy: 1.0778718734986257
Energy: 1.0899879099626117
Energy: 1.0230830622088876
Energy: 1.0287325252136288
Energy: 1.0420880720304488
Energy: 1.0287325252056159
Energy: 1.0205139869349171
Energy: 1.026115673408815
Energy: 1.0239416507559447
Energy: 1.026115673408815
Energy: 1.0034533677438586
Energy: 1.043871827212932
Energy: 1.0513514785854743
Energy: 1.0438718218728495
Energy: 0.9609599162286488
Energy: 0.9475933852151001
Energy: 1.029573102606392
Energy: 0.9475933864119719
Energy: 0.9991332169600646
Energy: 0.9341884353646823
Energy: 1.031386099983885
Energy: 0.934188435357814
Energy: 0.9894375927603881
Energy: 0.9446388833396107
Energy: 1.083813530073089
Energy: 0.9446388833361765
Energy: 1.0307427817180945
Energy: 1.0028251628427507
Energy: 0.9744614025551681
Energy: 1.0028251628507638
Energy: 1.0322552391793887
Energy: 0.9718077024028723
Energy: 0.9694249007352338
Energy: 0.9718075874722327
Energy: 1.0643631298644343
Energy: 0.9683477113754042
Energy: 0.9670722272896192
Energy: 0.9683477117461421
Energy: 1.0489309180408972
Energy: 0.9688487348526299
Energy: 0.9682138971763293
Energy: 0.9688487348469063
Energy: 1.063583285559248
Energy: 1.0956660750796785
Energy: 0.9833492532965538
Energy: 1.095666075081968
Energy: 1.0314588438278822
Energy: 1.0678324537973543
Energy: 1.0511721485663716
Energy: 1.0678324540525
Energy: 1.0210722616683185
Energy: 1.0214986551029492
Energy: 1.0090327719518406
Energy: 1.0214986550926468
Energy: 1.027907755089094
Energy: 1.0299246162721811
Energy: 1.0141241743535965
Energy: 1.0299246162733258
Energy: 1.0232005686493566
Energy: 1.1287449716781484
Energy: 0.9630651111312598
Energy: 1.128744972019123
Energy: 1.0838826414198166
Energy: 1.0067983950600998
Energy: 1.0116935240173297
Energy: 1.0067983950566657

minimum gb energy = 0.934188435357814 eV
minimum distance =  2.3197259138471 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.783000764451189
Energy: 1.0175171591329888
Energy: 1.0878634501654256
Energy: 0.9960421103599366
Energy: 0.9685421445629168
Energy: 1.0205879895959447
Energy: 1.0429576207430096
Energy: 1.0205879828052518
Energy: 0.9502407159405103
Energy: 0.9522454324713481
Energy: 1.0332141747947459
Energy: 0.952245432492357
Energy: 0.9515913025798791
Energy: 0.9784326575257886
Energy: 1.1053874268027406
Energy: 0.9784326576714527
Energy: 0.9462796512203392
Energy: 0.946501377088271
Energy: 1.076759826901637
Energy: 0.9465013770737009
Energy: 0.9683477975763226
Energy: 0.943958439510869
Energy: 1.0733319529260927
Energy: 0.9439584395173446
Energy: 1.0511471836263033
Energy: 0.9560151148212443
Energy: 0.9614281377916236
Energy: 0.9560151148196253
Energy: 1.0459665052729006
Energy: 0.9890997880704165
Energy: 0.9448287814860131
Energy: 0.9890997880615495
Energy: 1.0417554752631468
Energy: 0.9595349425651694
Energy: 0.9646266392829485
Energy: 0.9595349425603127
Energy: 1.0899983198335774
Energy: 1.0728617580270667
Energy: 0.9452854560194622
Energy: 1.0728623416059497
Energy: 1.1210027799900866
Energy: 1.0084676668690558
Energy: 1.047602405914693
Energy: 1.008467666654662
Energy: 1.0196209898314141
Energy: 1.0397275628081677
Energy: 1.1189206366698705
Energy: 1.0397275094470482
Energy: 1.022760896080298
Energy: 1.014037492968225
Energy: 1.0068661182689629
Energy: 1.014037443137961
Energy: 1.0235798314801718
Energy: 1.0101047789073112
Energy: 0.962410845713545
Energy: 1.0101047789113584
Energy: 1.0089413973956602
Energy: 1.0174049111564512
Energy: 0.9597220618516863
Energy: 1.0173990083980364
Energy: 1.0362900579075471
Energy: 1.0567139120089046
Energy: 1.0169236359468004
Energy: 1.0567139121416176
Energy: 1.029961288159939
Energy: 1.0055543203688744
Energy: 1.121001875415168
Energy: 1.005554320357542
Energy: 0.9501614701107781
Energy: 1.064278864847043
Energy: 1.0740420014692214
Energy: 1.0636463499993505
Energy: 0.9592346198241172
Energy: 0.9661352965789943
Energy: 1.1079791695040642
Energy: 0.9661352965263801
Energy: 0.9436428919297281
Energy: 0.9772958929332359
Energy: 1.0272035610904169
Energy: 0.9772958929324265
Energy: 0.9606053287116728
Energy: 0.946656182478033
Energy: 1.077190617732873
Energy: 0.9466561829213908
Energy: 1.1154599343763627
Energy: 0.943872273058243
Energy: 0.9622471505226985
Energy: 0.9438722730501484
Energy: 1.0499591343608414
Energy: 0.9453041644618959
Energy: 0.9454195536411316
Energy: 0.9453041644521826
Energy: 1.043673567014449
Energy: 0.9759953073598
Energy: 0.9546566109201081
Energy: 0.9759953073533244
Energy: 1.0809074589550394
Energy: 0.9460047420013805
Energy: 0.9508385319486017
Energy: 0.9460047419973332
Energy: 1.0603225259665525
Energy: 1.0293379547189907
Energy: 1.008996731461114
Energy: 1.0293379446514992
Energy: 1.0249101209145441
Energy: 1.0246032523356947
Energy: 1.47648116633904
Energy: 1.024603246785336
Energy: 1.0079746878056457
Energy: 1.0261020300456496
Energy: 1.012764594177808
Energy: 1.0261019347955174
Energy: 1.0289367020583493
Energy: 1.0082318450731211
Energy: 1.0242590098160713
Energy: 1.0082318450739303
Energy: 1.0062257429487522
Energy: 1.0305084353202656
Energy: 0.9635490431198228
Energy: 1.0305084189895846
Energy: 1.0330795218751456
Energy: 1.068262612187628
Energy: 1.0084112223152129
Energy: 1.0682626121941035

minimum gb energy = 0.9436428919297281 eV
minimum distance =  2.32408732478926 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.9260235085449857
Energy: 0.9988639352619852
Energy: 0.9244970729393971
Energy: 0.9216522347719185
Energy: 0.9188189488329676
Energy: 0.9743854724014737
Energy: 0.9191779217307828
Energy: 0.9743854723942994
Energy: 0.9152812505828782
Energy: 0.9874228910708237
Energy: 0.9076964720508784
Energy: 0.9874228910683488
Energy: 0.9049627268727649
Energy: 0.9142252944310668
Energy: 0.9125506053653506
Energy: 0.9142252952505823
Energy: 0.9126698944783389
Energy: 0.9154092468913695
Energy: 0.9079173592836838
Energy: 0.9154092470834431
Energy: 0.9130675984863084
Energy: 0.9776186043414467
Energy: 0.9063253337629693
Energy: 0.9776186043497173
Energy: 0.90763176005194
Energy: 0.9855371639998465
Energy: 0.913011223343179
Energy: 0.9855371646868436
Energy: 0.9205211789373169
Energy: 0.9779931913305796
Energy: 0.900834207409779
Energy: 0.9779931913719017
Energy: 0.9007249827774912
Energy: 0.923851619042062
Energy: 0.9199819732481398
Energy: 0.9238516216555271

minimum gb energy = 0.9007249827774912 eV
minimum distance =  2.33992473082139 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.402454911068225
Energy: 0.8506844315979747
Energy: 0.9994869226070554
Energy: 0.8259764353876675
Energy: 0.9451918122173056
Energy: 0.8363053917973552
Energy: 1.0438588283755281
Energy: 0.8363053917981199
Energy: 1.030398123278326
Energy: 0.8935682864494052
Energy: 1.0616340670916264
Energy: 0.8935682864455821
Energy: 0.8564120500921772
Energy: 0.8357719276061298
Energy: 1.027733981159144
Energy: 0.8357657807451341
Energy: 1.0249543481007817
Energy: 0.8395307459716451
Energy: 1.0502322464893918
Energy: 0.839530745976233
Energy: 0.8388489680837711
Energy: 0.8367477640696105
Energy: 1.0358845977294953
Energy: 0.8367477641169476
Energy: 0.8452278695607044
Energy: 0.8673656381964563
Energy: 1.0268880402394565
Energy: 0.8673656381903394
Energy: 0.8365428628062204
Energy: 0.8363885170712447
Energy: 1.277629209511728
Energy: 0.8363885170720093
Energy: 0.8552211012740374
Energy: 0.8713321047571425
Energy: 1.2580184998921966
Energy: 0.8713321047586718
Energy: 1.1350536689017217
Energy: 0.8280937677009
Energy: 0.8302607927028723
Energy: 0.8280937676588458
Energy: 0.8540609772263563
Energy: 0.8275073659571671
Energy: 0.8292527639159034
Energy: 0.8275073660702618
Energy: 1.2539259148730386
Energy: 0.8255458771673133
Energy: 0.8254853089295687
Energy: 0.825545877168078
Energy: 1.2226952194670972
Energy: 0.8257696612295816
Energy: 0.8369719175404126
Energy: 0.8257696612272878
Energy: 0.8401661346788705
Energy: 0.8684129027047772
Energy: 1.0574684144998967
Energy: 0.868412902707071
Energy: 0.8367451049629984
Energy: 0.836818014014237
Energy: 1.0522462464611353
Energy: 0.8368180140127078
Energy: 0.8327671971537992
Energy: 0.8388302065269158
Energy: 1.0255101064720602
Energy: 0.8388302059552561
Energy: 0.8492904650057498
Energy: 0.8762779760377241
Energy: 0.8546399108096789
Energy: 0.8762779760392533
Energy: 1.0275045258529845
Energy: 0.8348741193174807
Energy: 0.8659750563937817
Energy: 0.8348741193182452
Energy: 1.065682861735557
Energy: 0.8945687311486935
Energy: 1.0307363407144465
Energy: 0.8945687311532117
Energy: 1.0251760430655668
Energy: 0.8375865149216121
Energy: 0.8663090639188809
Energy: 0.8375865153136549
Energy: 1.048796440492658
Energy: 0.8362520008010317
Energy: 1.028041872003627
Energy: 0.8362520038848933
Energy: 1.058053109066894
Energy: 0.8401930832678167
Energy: 0.8425140761723151
Energy: 0.8401930832953431
Energy: 1.02668879469965
Energy: 0.8371507620956592
Energy: 0.8395879503192669
Energy: 0.8371507620910715
Energy: 1.268071433848628
Energy: 0.8404082226605708
Energy: 0.8354547576592466
Energy: 0.8404082226590417
Energy: 1.2516690835464892
Energy: 0.8691396624157598
Energy: 0.8543165496051746
Energy: 0.8691396624111721
Energy: 0.8315356444292133
Energy: 0.8280189415702106
Energy: 1.1358676835104435
Energy: 0.8280189424835175
Energy: 0.8314508520238855
Energy: 0.8280559995878837
Energy: 0.8555457530910825
Energy: 0.8280559996489839
Energy: 0.8255198849463907
Energy: 0.8260557342952712
Energy: 0.8450040155780858
Energy: 0.8260557342899187
Energy: 0.8272914288402006
Energy: 0.8287035478877823
Energy: 1.263745514407872
Energy: 0.8287035479015457
Energy: 1.0320191456093268
Energy: 0.8670428114383487
Energy: 0.8428923444835702
Energy: 0.8670428114406427
Energy: 1.0585230638542458
Energy: 0.836007156357643
Energy: 0.8336016280770675
Energy: 0.8360071563522906
Energy: 1.0238868890033617
Energy: 0.836595401052967
Energy: 0.8359617041038644
Energy: 0.836595401052967
Energy: 0.8527852927495575
Energy: 0.8425859493089297
Energy: 0.8450699285878011
Energy: 0.8425859493135176

minimum gb energy = 0.8254853089295687 eV
minimum distance =  2.33879124760332 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.54118802153714
Energy: 0.7804986722082878
Energy: 0.9331675608370258
Energy: 0.7600474522225003
Energy: 0.7867226525677375
Energy: 0.7705596011467538
Energy: 0.7748007731752669
Energy: 0.7705596011467538
Energy: 0.7763515049180778
Energy: 0.8401413342079236
Energy: 0.7734734379723668
Energy: 0.8401413342089807
Energy: 0.7940780139563062
Energy: 0.8413000639891659
Energy: 0.7714390561454257
Energy: 0.8413000639859943
Energy: 0.7734909479755224
Energy: 0.771079066127248
Energy: 0.7818759218741572
Energy: 0.7710790661261908
Energy: 0.7716258387660169
Energy: 0.7713705616903219
Energy: 0.7812372239352182
Energy: 0.7713705617114663
Energy: 0.779083101600995
Energy: 0.7708084789738023
Energy: 0.7740786888184941
Energy: 0.7708084789600584
Energy: 0.7730453797627052
Energy: 0.7707121842308465
Energy: 0.7617351219656464
Energy: 0.7707121842319037
Energy: 0.7839299701876342
Energy: 0.8175145307800645
Energy: 0.7666708076562938
Energy: 0.8175145307779501
Energy: 0.7836962377347728
Energy: 0.7703757617036617
Energy: 0.7728950645032285
Energy: 0.7703757616793457
Energy: 0.7754461491350803
Energy: 0.7762167954387635
Energy: 0.7803630555329742
Energy: 0.7762167946779034
Energy: 0.7651780069589807
Energy: 0.7707615330862506
Energy: 0.7705898618219542
Energy: 0.7707615330714496
Energy: 0.7666436795279515
Energy: 0.7712702100631701
Energy: 0.7740936501472289
Energy: 0.7712702101519283
Energy: 0.7743579742256188
Energy: 0.8367323939069095
Energy: 0.7730376364816891
Energy: 0.8367323939026806
Energy: 0.7855771114911998
Energy: 0.8394725755167679
Energy: 0.7759597539922543
Energy: 0.8394725755157108
Energy: 0.784396707070287
Energy: 0.7711055701371445
Energy: 0.7742384898583275
Energy: 0.7711055701445451
Energy: 0.7803098327798309
Energy: 0.7758631853476229
Energy: 0.7828686748744053
Energy: 0.7758631853328218
Energy: 0.7708325228330715
Energy: 0.7699387868210783
Energy: 0.7785260550857358
Energy: 0.7699387868200211
Energy: 0.7721675192171839
Energy: 0.7713670215453541
Energy: 0.7658585376465595
Energy: 0.7713670215464113
Energy: 0.771997969504507
Energy: 0.7701106507749249
Energy: 0.7621520466775057
Energy: 0.7701106508161083
Energy: 0.7804026394766276
Energy: 0.8187709782080786
Energy: 0.7758498727265138
Energy: 0.8187709782017353
Energy: 0.7815996920243873
Energy: 0.771123102306593
Energy: 0.7696478879887524
Energy: 0.7711231023245656
Energy: 0.7722906063576088
Energy: 0.7695448526083859
Energy: 0.7702921373146469
Energy: 0.7695448529000336
Energy: 0.7686211079504335
Energy: 0.7717858560978753
Energy: 0.777169178676471
Energy: 0.7717858560873031

minimum gb energy = 0.7600474522225003 eV
minimum distance =  2.34172706827311 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.7002795587865154
Energy: 0.7723010212357573
Energy: 0.9369422404757688
Energy: 0.7810162301884682
Energy: 0.9295759842623182
Energy: 0.7990630141162463
Energy: 0.9383756901633471
Energy: 0.7990630140234573
Energy: 1.0989952036877988
Energy: 0.9869869424146474
Energy: 0.947887388555848
Energy: 0.9869869424113801
Energy: 1.1299840610846112
Energy: 0.8049025999464917
Energy: 0.9378325498652512
Energy: 0.8049025999504125
Energy: 0.9252031336682305
Energy: 0.7568884808486758
Energy: 0.9285227182203076
Energy: 0.7568884810798763
Energy: 0.7569901077761174
Energy: 0.7562248102211427
Energy: 0.7901533860974025
Energy: 0.7562248102237565
Energy: 0.754129045215259
Energy: 0.7570221380597354
Energy: 0.7745359046535688
Energy: 0.7570221380545672
Energy: 0.7578916517209612
Energy: 0.758814616581798
Energy: 0.7608335978307668
Energy: 0.7588146165719963
Energy: 0.9282498088978064
Energy: 0.7602839476138419
Energy: 0.7945876991402604
Energy: 0.7602839475916249
Energy: 0.9588679993874177
Energy: 0.8044727069599875
Energy: 0.9348199842959667
Energy: 0.8044727069449583
Energy: 0.926662504133794
Energy: 0.769146719676618
Energy: 0.7897950143761746
Energy: 0.7691489667043597
Energy: 0.7701427966193858
Energy: 0.7688162439698732
Energy: 0.9336265365227888
Energy: 0.7688162439744474
Energy: 0.7711242570120485
Energy: 0.7742556416165183
Energy: 0.7738284842113592
Energy: 0.7742556416054097
Energy: 0.7685066494089478
Energy: 0.7680769640961609
Energy: 0.7652814930332545
Energy: 0.7680769640935471
Energy: 1.1239943093336275
Energy: 0.7665645558613927
Energy: 0.7651034508990671
Energy: 0.76656455586466
Energy: 0.7579020553488864
Energy: 0.7666608661650154
Energy: 0.7728031945595346
Energy: 0.766660866215984
Energy: 0.7650768922204028
Energy: 0.774168310518661
Energy: 0.9460478092062515
Energy: 0.7741683387669513
Energy: 0.7687481593387726
Energy: 0.7665081649506463
Energy: 0.928623796844718
Energy: 0.7665081649630616
Energy: 0.7635460164715102
Energy: 0.7675627871916383
Energy: 0.9474762879808661
Energy: 0.7675627871896781
Energy: 0.7741558092224851
Energy: 0.7671792364636453
Energy: 0.7632814543072358
Energy: 0.7671792650868346
Energy: 0.9454818453677256
Energy: 0.7695433858554088
Energy: 0.9242293380236786
Energy: 0.7695433859050113
Energy: 0.9406373797217811
Energy: 0.9887813166097361
Energy: 1.1115239944769768
Energy: 0.9887813166110431
Energy: 0.9382539996029583
Energy: 0.803409432112673
Energy: 1.116150939814649
Energy: 0.8034094319951124
Energy: 0.9310578329593844
Energy: 0.7558248824267132
Energy: 0.9250062950527491
Energy: 0.755824882445663
Energy: 0.7692340297926074
Energy: 0.7530409086198695
Energy: 0.7531842622160025
Energy: 0.7530409086283643
Energy: 0.931829125486661
Energy: 0.7562625496032561
Energy: 0.7579105384087352
Energy: 0.7562625495914941
Energy: 0.762593708471227
Energy: 0.7545006482666516
Energy: 0.7549853321307091
Energy: 0.7545006482496621
Energy: 0.7918433458624238
Energy: 0.7589658286542419
Energy: 0.9325313537616509
Energy: 0.7589658286359455
Energy: 0.9465415546245267
Energy: 0.8055539078563361
Energy: 0.9595508366120674
Energy: 0.8055539077589728
Energy: 0.7816982971480311
Energy: 0.7709685013089438
Energy: 0.9271786901878751
Energy: 0.7709353401510848
Energy: 0.9348786445801806
Energy: 0.7678419807946936
Energy: 0.7696806376832279
Energy: 0.7678419807933867
Energy: 0.7683972630129797
Energy: 0.7682565691774131
Energy: 0.77039013397054
Energy: 0.7682565691846008
Energy: 0.7663981479601629
Energy: 0.7694253713117275
Energy: 0.7694967058852734
Energy: 0.7694253713300239
Energy: 0.7648405237572702
Energy: 0.7656876043834387
Energy: 1.1269709228793259
Energy: 0.765687604386706
Energy: 0.7764665946374897
Energy: 0.7727188144469298
Energy: 0.7690787493449742
Energy: 0.7727188144671272
Energy: 0.9331996579003744
Energy: 0.7702520983325004
Energy: 0.765350861873763
Energy: 0.7702520987870602
Energy: 0.9266152855300624
Energy: 0.7684008882749831
Energy: 0.77583304258686
Energy: 0.7684008904166774
Energy: 0.9453384341556016
Energy: 0.7725625047396086
Energy: 0.7631922531306479
Energy: 0.7725625045946034

minimum gb energy = 0.7530409086198695 eV
minimum distance =  2.33827384153511 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.1656760638665444
Energy: 0.6525930621408284
Energy: 0.626486234299892
Energy: 0.6702705658243354
Energy: 0.8716509607810875
Energy: 0.7002420603405602
Energy: 0.6268491007545944
Energy: 0.7002420603456895
Energy: 0.9040149382461894
Energy: 0.713813967243299
Energy: 0.6451517939923197
Energy: 0.713813967229621
Energy: 0.8988270003861073
Energy: 0.7175616713557397
Energy: 0.6528663471119244
Energy: 0.7175616713540298
Energy: 0.8702966698473886
Energy: 0.6696649563910612
Energy: 0.9031532699984364
Energy: 0.6696649563944808
Energy: 0.8780301853911356
Energy: 0.6702051485047495
Energy: 0.9023898640209094
Energy: 0.6702051485047495
Energy: 0.8720912026134557
Energy: 0.6686529685669585
Energy: 0.6643117632346721
Energy: 0.6686529685669585
Energy: 0.8579079079691772
Energy: 0.6711909776858891
Energy: 0.6698373348913259
Energy: 0.6711909776858891
Energy: 0.8678188669820349
Energy: 0.6703203612903438
Energy: 0.6673047626538292
Energy: 0.6703203612886339
Energy: 0.8639234068466719
Energy: 0.7310220832687108
Energy: 0.6643584185431161
Energy: 0.7310220832704205
Energy: 0.8721050979591771
Energy: 0.7330613348898078
Energy: 0.9735850200750819
Energy: 0.7330613348898078
Energy: 0.9107576893703992
Energy: 0.731391522513347
Energy: 0.6679087648325724
Energy: 0.7313915232669962
Energy: 0.9012092148327168
Energy: 0.6509098438217915
Energy: 0.6406728422275081
Energy: 0.650909843811533
Energy: 0.8716023855312888
Energy: 0.6629626879811258
Energy: 0.6454201351457362
Energy: 0.6629626879623186
Energy: 0.8697259487636656
Energy: 0.6535187200052249
Energy: 0.6620590598494958
Energy: 0.6535187207964884

minimum gb energy = 0.626486234299892 eV
minimum distance =  2.33427978193658 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.6175856949319851
Energy: 0.6122909786563336
Energy: 0.7847015579565931
Energy: 0.6226956724678194
Energy: 0.7126462481595643
Energy: 0.625433809504421
Energy: 0.8210411511892557
Energy: 0.6254338093446803
Energy: 0.5893762964257393
Energy: 0.626247893336107
Energy: 0.8198395070710515
Energy: 0.6262478933926546
Energy: 1.0244994874761506
Energy: 0.6194679519747508
Energy: 0.8022481405214874
Energy: 0.6194679519840669
Energy: 0.8054672618002985
Energy: 0.6221627862172631
Energy: 0.8145121230043852
Energy: 0.6221627862100969
Energy: 0.82553440111072
Energy: 0.6248205741541454
Energy: 0.8118129141542204
Energy: 0.6248205741570118
Energy: 0.8176159526720886
Energy: 0.6253732855500976
Energy: 0.8051184554058737
Energy: 0.6253732855293157
Energy: 0.8014830122926894
Energy: 0.6205029366265914
Energy: 0.7830728653907609
Energy: 0.6205029366244416
Energy: 0.619817288810249
Energy: 0.6238064441164926
Energy: 0.8017058024391195
Energy: 0.6238064441179257
Energy: 0.6234367483294156
Energy: 0.624501016962561
Energy: 0.7980393347765908
Energy: 0.6245010169575448
Energy: 0.6066059043819492
Energy: 0.617064890753253
Energy: 1.6296436964205823
Energy: 0.6170648906794414
Energy: 0.7982210695490544
Energy: 0.6631729882998388
Energy: 0.7972600049860672
Energy: 0.6631729882969724
Energy: 0.8028763909133244
Energy: 0.6599742865265282
Energy: 0.8017349370509781
Energy: 0.6599742865272448
Energy: 0.805664669199447
Energy: 0.6597986871398916
Energy: 1.0189394934977047
Energy: 0.6597986871005428
Energy: 0.7826045656158809
Energy: 0.6215298651579261
Energy: 0.7977023120139524
Energy: 0.6215298651579261
Energy: 0.7885789951288337
Energy: 0.6236679934162693
Energy: 0.6173376833600409
Energy: 0.6236679932672778
Energy: 0.8003576725793837
Energy: 0.6270293263837343
Energy: 0.6222408404868256
Energy: 0.6270293264066661
Energy: 0.6183952387539063
Energy: 0.6207881492843158
Energy: 0.6113052774179151
Energy: 0.6207881492878989
Energy: 1.0038745878765365
Energy: 0.6192053245832755
Energy: 0.8173211022401647
Energy: 0.6192053245832755
Energy: 0.80199838277386
Energy: 0.6230276915600681
Energy: 0.81612661880345
Energy: 0.6230276916022834
Energy: 1.1284604678246792
Energy: 0.6166344955211478
Energy: 0.8178094576500381
Energy: 0.6166345001090686
Energy: 0.7878316415222503
Energy: 0.6237793704067287
Energy: 0.8066116689482261
Energy: 0.6237793704181946
Energy: 0.8124013143794722
Energy: 0.622377999309633
Energy: 0.8150140922581498
Energy: 0.6223779993081997
Energy: 0.628769892613523
Energy: 0.6239697743193059
Energy: 0.8035878887029705
Energy: 0.6239697743357882
Energy: 0.8125599034646253
Energy: 0.6161859947453886
Energy: 0.7950938590098116
Energy: 0.616185994744672
Energy: 0.6176936910996149
Energy: 0.617677785470543
Energy: 0.7916673841610905
Energy: 0.6176777854734095
Energy: 0.6240529816808873
Energy: 0.6243361163239323
Energy: 0.7984032848801581
Energy: 0.6243361163310983
Energy: 0.6108080899454703
Energy: 0.6189706705330582
Energy: 0.5881902245447889
Energy: 0.6189706705309085
Energy: 0.8014450020727522
Energy: 0.6259848629720414
Energy: 0.975344115079319
Energy: 0.625984862978491
Energy: 0.8330730463480923
Energy: 0.659133594033623
Energy: 0.8005273565637752
Energy: 0.6591335940264568
Energy: 0.7985111673602258
Energy: 0.6583559953994647
Energy: 1.0153664617159825
Energy: 0.6583559953729498
Energy: 0.7890704786594829
Energy: 0.6336216207112549
Energy: 0.8001692162410566
Energy: 0.6336216207155547
Energy: 0.7814617977675317
Energy: 0.6216435767397188
Energy: 0.6147635138751175
Energy: 0.621643576731836
Energy: 0.9690464542427712
Energy: 0.6250512249854555
Energy: 0.6218362467258629
Energy: 0.6250512249854555
Energy: 0.9723194100469861
Energy: 0.6163631615399977
Energy: 0.6132715791642748
Energy: 0.6163631615299652

minimum gb energy = 0.5881902245447889 eV
minimum distance =  2.3409010714601 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.396667434683942
Energy: 0.4499134227083091
Energy: 0.4405866489320723
Energy: 0.4919052508568695
Energy: 0.6459244022340785
Energy: 0.5170023421762115
Energy: 0.42964764081928136
Energy: 0.5170023426777846
Energy: 0.39189838539229893
Energy: 0.5148006316142445
Energy: 0.4016167172821147
Energy: 0.5148006319420603
Energy: 0.33775776610331054
Energy: 0.5559798309259595
Energy: 0.4482804534980481
Energy: 0.5559798309333568
Energy: 0.4473965993328013
Energy: 0.5755374893174198
Energy: 0.47017547596036785
Energy: 0.5755374893112551
Energy: 0.700906502702852
Energy: 0.5117933697178
Energy: 0.42977954262714274
Energy: 0.5117933707246446
Energy: 0.5380687023370079
Energy: 0.5171155838116246
Energy: 0.4379821685134911
Energy: 0.5171155837832675
Energy: 0.460715171298403
Energy: 0.4752678506470368
Energy: 0.4910645197587927
Energy: 0.4752678506495027
Energy: 0.49854132385285266
Energy: 0.5163894055972765
Energy: 0.471351446543142
Energy: 0.5163894059337226
Energy: 0.5155941516443829
Energy: 0.516357513888791
Energy: 0.66459844385284
Energy: 0.5163575138961887
Energy: 0.4405866473792696
Energy: 0.4919052509049532
Energy: 1.3966674346518861
Energy: 0.44991340697956955
Energy: 0.4296476416326702
Energy: 0.5170023429316533
Energy: 0.6459246843567068
Energy: 0.5170023418102034
Energy: 0.4016166653623924
Energy: 0.514800631415829
Energy: 0.39189838533068116
Energy: 0.5148006316080799
Energy: 0.4482804535214735
Energy: 0.5559798312735018
Energy: 0.33775787287950704
Energy: 0.5559798313499147
Energy: 0.4701754749103711
Energy: 0.5755374891941842
Energy: 0.4473965988299954
Energy: 0.5755374892065134
Energy: 0.6650424269576966
Energy: 0.5117933696648126
Energy: 0.43582452587129794
Energy: 0.5117933735085707
Energy: 0.43798216908777815
Energy: 0.5171155837660066
Energy: 0.5380687023370079
Energy: 0.5171155838128575
Energy: 0.4910633855106707
Energy: 0.47526785064087224
Energy: 0.46071517130333467
Energy: 0.4752678506519685
Energy: 0.47135090469866636
Energy: 0.5163894059595859
Energy: 0.4985413238343589
Energy: 0.5163894060963835
Energy: 0.43230138856352107
Energy: 0.5163575139417785
Energy: 0.5155941516382184
Energy: 0.5163575139294494

minimum gb energy = 0.33775776610331054 eV
minimum distance =  2.34741282676101 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.8270030047879855
Energy: 0.35289277596517343
Energy: 0.34224141185637885
Energy: 0.391485971810452
Energy: 0.4959418650524238
Energy: 0.45670189767037966
Energy: 0.34405712072189515
Energy: 0.4567018976674914
Energy: 0.8857875995936707
Energy: 0.45826534917022654
Energy: 0.7077516215363189
Energy: 0.4582653495176466
Energy: 0.9738200933250707
Energy: 0.4204325636742576
Energy: 0.6356509699233235
Energy: 0.4204325630795429
Energy: 0.6148793907918264
Energy: 0.5125439168031298
Energy: 0.5080484184114707
Energy: 0.5125439168031298
Energy: 0.26910697143497136
Energy: 0.51078917424888
Energy: 0.5530785836205344
Energy: 0.51078917424888
Energy: 0.22273345730074653
Energy: 0.5118209119258369
Energy: 0.3513834850375778
Energy: 0.5118209119296878
Energy: 0.6396952651405218
Energy: 0.3861060571869039
Energy: 0.5189814862018413
Energy: 0.38610605701465983
Energy: 0.36836710321196137
Energy: 0.4550303793582958
Energy: 0.5252414229398555
Energy: 0.4550303793121278
Energy: 0.37664169166340067
Energy: 0.45375105204505184
Energy: 0.5913082922295625
Energy: 0.45375105204986554
Energy: 0.3931450917800499
Energy: 0.36985505731236906
Energy: 1.449490625114601
Energy: 0.3698550520051428
Energy: 0.46495346338998067
Energy: 0.45487374277191034
Energy: 0.5901069130877326
Energy: 0.45487374277191034
Energy: 0.4503373172978055
Energy: 0.4437323289385346
Energy: 0.2892546887949091
Energy: 0.44373232899529286
Energy: 0.37342094551152777
Energy: 0.3800755020594144
Energy: 0.8496754285127579
Energy: 0.3800755019400777
Energy: 0.7177174457475769
Energy: 0.4548151575145175
Energy: 0.9077394658881931
Energy: 0.45481515754339985
Energy: 0.3191124275849236
Energy: 0.42563683808952973
Energy: 0.8865847116603975
Energy: 0.42563683815403375
Energy: 0.6235355698807554
Energy: 0.4292892283927941
Energy: 0.8447055306700734
Energy: 0.4292892288297058
Energy: 0.72202616317782
Energy: 0.5094538943217807
Energy: 0.9366536766978352
Energy: 0.5094538943342963
Energy: 0.5784533876088053
Energy: 0.5109776026049648
Energy: 0.905474551559595
Energy: 0.5109776026049648
Energy: 0.5935344835112297
Energy: 0.5112262024614826
Energy: 0.26455184741536447
Energy: 0.5112262024720291
Energy: 0.8271035634348038
Energy: 0.3761466859411106
Energy: 0.34305794426550956
Energy: 0.37614668591126543
Energy: 0.3330859715953611
Energy: 0.4767590917000165
Energy: 0.46551436686294617
Energy: 0.4767590917019421
Energy: 0.6031081816562
Energy: 0.4585280840658784
Energy: 0.3763965340646152
Energy: 0.4585280840668412
Energy: 0.5776130504839336
Energy: 0.38388081561769705
Energy: 0.3956183556373634
Energy: 0.3838808155946348
Energy: 0.3444132373243546
Energy: 0.4558394076197229
Energy: 0.46551130091992343
Energy: 0.45583940766400927
Energy: 0.9102486346565363
Energy: 0.43567030150779706
Energy: 0.42770073258907076
Energy: 0.4356703015068344

minimum gb energy = 0.22273345730074653 eV
minimum distance =  2.33320255853584 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.1503365760388595
Energy: 0.3240936354195444
Energy: 0.5549107576469361
Energy: 0.32322032313931126
Energy: 1.2036216251196115
Energy: 0.40632728167091303
Energy: 0.6408981247632064
Energy: 0.40632728169143467
Energy: 1.1775234215393295
Energy: 0.40993326444747674
Energy: 0.6473807962409132
Energy: 0.4099332644885201
Energy: 1.307003350873865
Energy: 0.3825823359933229
Energy: 0.7037262813213908
Energy: 0.3825806586226003
Energy: 1.2039988988143653
Energy: 0.6784840638845331
Energy: 1.0285054888323903
Energy: 0.6784840638482613
Energy: 1.187187323434178
Energy: 0.6835237015668982
Energy: 1.0386791455171434
Energy: 0.6835237016236914
Energy: 0.8096823239247563
Energy: 0.696802026647895
Energy: 1.1107005193221555
Energy: 0.6968020265642657
Energy: 1.006416997811229
Energy: 0.4173457166866502
Energy: 0.6574462430005034
Energy: 0.4173489288407561
Energy: 0.6813609638592879
Energy: 0.4068975891076485
Energy: 1.1098677173018034
Energy: 0.4068981189416793
Energy: 0.9350902209448313
Energy: 0.5978596442888681
Energy: 1.2128583406826154
Energy: 0.5978596442880788
Energy: 0.5958817595400323
Energy: 0.3204699407829256
Energy: 0.9601207808058061
Energy: 0.32046996081420487
Energy: 0.6383129072854398
Energy: 0.41185630964154996
Energy: 1.2139772832659854
Energy: 0.4118564203311116
Energy: 0.6367696606906392
Energy: 0.4154499020240734
Energy: 1.2147386779014497
Energy: 0.4154499020509095
Energy: 0.5104223605964548
Energy: 0.32856659722801923
Energy: 1.030251687341383
Energy: 0.3285665972240728
Energy: 0.5554525615931737
Energy: 0.4042142626520383
Energy: 1.171688844268247
Energy: 0.4042142626898885
Energy: 0.5299605081736404
Energy: 0.4076914705485564
Energy: 1.13639013279
Energy: 0.40769147054303134
Energy: 0.7205147369847231
Energy: 0.4259168810362035
Energy: 1.1191170968235482
Energy: 0.4259168810393607
Energy: 0.7575167769397237
Energy: 0.40332212509136206
Energy: 1.2089452134909149
Energy: 0.40331939717114884
Energy: 0.7390561037387786
Energy: 0.4101883806817059
Energy: 1.1932630631156065
Energy: 0.41018838071722413
Energy: 1.0238174486411662
Energy: 0.40444506972317845
Energy: 1.2015541217333319
Energy: 0.40444506980917566
Energy: 1.0576195462871703
Energy: 0.4530933571757304
Energy: 1.210296441664518
Energy: 0.4530933572372954
Energy: 1.0238353106371538
Energy: 0.405213440844545
Energy: 0.7838058495387636
Energy: 0.4052134344974725
Energy: 0.9356805038810456
Energy: 0.4550863427242763
Energy: 1.2002914365956672
Energy: 0.4550863427053332
Energy: 1.0815913897310159
Energy: 0.5983480785849367
Energy: 0.9239998676147374
Energy: 0.5983480785809903
Energy: 1.210216859237533
Energy: 0.45492656164297945
Energy: 0.9620120309346034
Energy: 0.45492656197670733
Energy: 1.1944862887257457
Energy: 0.40951423853932095
Energy: 0.9274770275490113
Energy: 0.40951423854326735
Energy: 1.0408188070599624
Energy: 0.39059099109662127
Energy: 0.6176933239811849
Energy: 0.390590991080046
Energy: 1.2072853336806186
Energy: 0.4238625805524051
Energy: 0.6392067960596051
Energy: 0.4238632017997858
Energy: 1.1739811221930083
Energy: 0.38801710471242884
Energy: 0.6187763916429401
Energy: 0.38801710471400747
Energy: 1.1821087433811073
Energy: 0.41972761596438574
Energy: 0.4062651592171008
Energy: 0.41972761596754293
Energy: 1.2056658635375068
Energy: 0.406440826441809
Energy: 0.4166696469995003
Energy: 0.406440826455227
Energy: 1.143211724157804
Energy: 0.3356950088899283
Energy: 0.3764293029521958
Energy: 0.33569500889308546

minimum gb energy = 0.3204699407829256 eV
minimum distance =  2.32553365162461 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3880454743865989
Energy: 0.29563535837564336
Energy: 0.5274785125447133
Energy: 0.26148738275533345
Energy: 1.3814355379810628
Energy: 0.3835748390347272
Energy: 0.5778744656101287
Energy: 0.38357483930674335
Energy: 1.3469835256974514
Energy: 0.4061905005330471
Energy: 0.5733660751495847
Energy: 0.4061905005664792
Energy: 1.402390952596468
Energy: 0.28012341219475617
Energy: 0.8830685823859339
Energy: 0.28012340876881175
Energy: 1.3752835414744833
Energy: 0.6240955151510891
Energy: 0.9225627280667017
Energy: 0.6240955151571068
Energy: 1.0010234098901458
Energy: 0.3768612921736829
Energy: 0.9236343280528228
Energy: 0.3768617285275507
Energy: 1.1035603721011287
Energy: 0.33302680706845283
Energy: 1.0682348086367626
Energy: 0.33627199628335436
Energy: 1.2258194317518212
Energy: 0.8310500387966224
Energy: 0.930587250850082
Energy: 0.8310500387966224
Energy: 1.1055217079105542
Energy: 0.8297742837921797
Energy: 1.2276932806956518
Energy: 0.8297742837901738
Energy: 1.0900262855946872
Energy: 0.833301420642578
Energy: 1.1930079655315038
Energy: 0.8333014206452525
Energy: 0.896830696578287
Energy: 0.2632516208298387
Energy: 1.24769334437448
Energy: 0.2632510420440708
Energy: 0.766364868552966
Energy: 0.6253474923455278
Energy: 1.205178641606168
Energy: 0.6253474778718383
Energy: 0.9334534207241268
Energy: 0.3753696679245839
Energy: 1.204470379374953
Energy: 0.37536966640408975
Energy: 0.557674601045855
Energy: 0.2805248289086227
Energy: 1.239417005557431
Energy: 0.2805248283024066
Energy: 0.5794393941311935
Energy: 0.3697745979769052
Energy: 1.3705955936798624
Energy: 0.36977425595282104
Energy: 0.5748562770605682
Energy: 0.3974541542755115
Energy: 1.1821630105566845
Energy: 0.3974541542721683
Energy: 0.35240023868372133
Energy: 0.28426006698826733
Energy: 1.1624435667663386
Energy: 0.284260068754032
Energy: 0.3814122458075808
Energy: 0.3650098493774317
Energy: 1.3761671674111258
Energy: 0.36500984931725383
Energy: 0.3593657797329513
Energy: 0.3422164603123727
Energy: 1.401358845887415
Energy: 0.3422164602362081
Energy: 0.5502418142806816
Energy: 0.3520633571628047
Energy: 1.3560511902476247
Energy: 0.3520633586565532
Energy: 0.614999607311105
Energy: 0.3797714273084325
Energy: 1.2122032879082154
Energy: 0.3797714270003704
Energy: 0.5435025819064221
Energy: 0.2888298114190907
Energy: 1.3995672243949557
Energy: 0.28882981543787817
Energy: 0.9271806173650107
Energy: 0.39405472013555665
Energy: 1.3924123059718463
Energy: 0.3940547200466879
Energy: 0.9296162071366586
Energy: 0.6233533114557681
Energy: 1.3866321340657695
Energy: 0.623353305770783
Energy: 0.9032498898164131
Energy: 0.31143905801757354
Energy: 1.0965849265471068
Energy: 0.3114390579160006
Energy: 1.2306837340615318
Energy: 0.8296613044791721
Energy: 1.203792478743743
Energy: 0.8296613044831838
Energy: 0.9293089378791491
Energy: 0.8317368324360594
Energy: 1.0554768630906093
Energy: 0.8317368324373967
Energy: 1.220766636847587
Energy: 0.6439612047550501
Energy: 1.0955288621793133
Energy: 0.6439612206891167
Energy: 1.2428606342373552
Energy: 0.6369066045404986
Energy: 1.0623487992175542
Energy: 0.6369066045431733
Energy: 1.2456078958618433
Energy: 0.37437010420131733
Energy: 0.9204741633106075
Energy: 0.37436987195169746
Energy: 1.3750095225341716
Energy: 0.6208653689855813
Energy: 0.7695898353119431
Energy: 0.6208653689213915
Energy: 1.2614418316588756
Energy: 0.28054957702891004
Energy: 0.9107337828654474
Energy: 0.2805495770322533
Energy: 1.1879706810170276
Energy: 0.3672406622353875
Energy: 0.5977364575543618
Energy: 0.36724066236370617
Energy: 1.2060574197120875
Energy: 0.43042275293020166
Energy: 0.5751443366245806
Energy: 0.4304227529088051
Energy: 1.128515870896366
Energy: 0.25113249745269783
Energy: 0.31830574845011905
Energy: 0.2511324974540351
Energy: 1.3736520813519162
Energy: 0.4226439366229216
Energy: 0.3790838128009693
Energy: 0.4226439366122233
Energy: 1.3587206763611355
Energy: 0.3905460610394793
Energy: 0.3749992218026204
Energy: 0.3905460610508463

minimum gb energy = 0.25113249745269783 eV
minimum distance =  2.35318206732613 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0149322637775675
Energy: 0.15524136802629254
Energy: 0.4066732705045395
Energy: 0.17841431835989982
Energy: 1.4746338477121836
Energy: 0.3065983507158357
Energy: 0.504889673264484
Energy: 0.30659835071815533
Energy: 1.4874858213663935
Energy: 0.30477459308846744
Energy: 0.5136634746478406
Energy: 0.3047745912799226
Energy: 1.218801184443296
Energy: 0.1362361141603368
Energy: 0.7546048750482517
Energy: 0.13623438229410742
Energy: 1.4705985030283573
Energy: 0.3040960385808909
Energy: 0.8066351693512313
Energy: 0.3040953308030587
Energy: 1.2278900261145724
Energy: -0.06925573839335496
Energy: 0.7933047661191742
Energy: -0.0694011034245602
Energy: 1.2261040508306487
Energy: -0.023234873225285214
Energy: 1.0629611253626332
Energy: -0.023234805435457414
Energy: 1.3161643367506661
Energy: 0.7433207145035772
Energy: 0.8141316194451784
Energy: 0.7433207145012576
Energy: 1.221249918287203
Energy: 0.7382089021496924
Energy: 1.0781397344421229
Energy: 0.7382089021502722
Energy: 1.217630483439277
Energy: 0.7412696457157645
Energy: 1.1840189690136187
Energy: 0.7412696457169243
Energy: 0.042473683919264635
Energy: -0.597950122301611
Energy: 1.0656810332826696
Energy: -0.5979166748420547
Energy: 0.9198586348571106
Energy: 0.7427906087852637
Energy: 1.3470945453443104
Energy: 0.7427906087800444
Energy: 1.0779070913979734
Energy: 0.3006407260019179
Energy: 1.3566061232577606
Energy: 0.3006422556672458
Energy: 0.7644618676765481
Energy: 0.15629552000492025
Energy: 1.0789527075202745
Energy: 0.156295505567956
Energy: 0.6834778463490925
Energy: 0.2934048467131071
Energy: 1.3131675583984264
Energy: 0.29340497455548054
Energy: 0.7894412421163771
Energy: 0.304336641339292
Energy: 1.356809209454527
Energy: 0.30433664129698457
Energy: 0.47196507903328866
Energy: -0.5521864941677608
Energy: 1.3547583607807763
Energy: -0.5521864797621121
Energy: 0.49757241890157144
Energy: 0.30477089793114726
Energy: 1.46413071853462
Energy: 0.304770913237009
Energy: 0.46367882374142744
Energy: -0.4828433308073742
Energy: 1.266394700397573
Energy: -0.48284333115400535
Energy: -0.0345072379940032
Energy: 0.313303352134031
Energy: 1.2816756004792103
Energy: 0.31330335216242056
Energy: 0.30983065549245076
Energy: 0.30357663368812865
Energy: 1.4839965892590963
Energy: 0.30357663368812865
Energy: -0.47086879140202303
Energy: -0.5971265422904073
Energy: 1.0490654373364467
Energy: -0.5971265710397068
Energy: 0.4837698424669072
Energy: 0.3085471821094218
Energy: 1.4422049095706169
Energy: 0.30854718211348126
Energy: 0.49805265847895014
Energy: 0.305381454207645
Energy: 1.2857908903017894
Energy: 0.30538145422791574
Energy: 0.41747562876715283
Energy: 0.1559796263371795
Energy: 1.2100643137063982
Energy: 0.15597962639398485
Energy: 0.803477554878498
Energy: 0.3072229917650739
Energy: 1.4416990711013993
Energy: 0.30722298962729533
Energy: 0.8023936915516459
Energy: 0.3031377915903777
Energy: 1.139817831924381
Energy: 0.30313790725065554
Energy: 0.7607865435788296
Energy: -0.5132927946194097
Energy: 1.2213009061315367
Energy: -0.5132869528849034
Energy: 0.09936560271056011
Energy: 0.7424310379324608
Energy: 1.3051086149880813
Energy: 0.7424310379318809
Energy: 1.0759601320532965
Energy: 0.7430934472174395
Energy: 1.2213087586931046
Energy: 0.7430934472168597
Energy: 1.1839902945015943
Energy: -0.09325961549492255
Energy: 0.9667883046724868
Energy: -0.09325598278878289
Energy: 1.0953448626505033
Energy: 0.7356431147809986
Energy: 1.1812815464642654
Energy: 0.7356431147815786
Energy: 1.138889893755085
Energy: 0.7423784141854852
Energy: 0.9376050376458672
Energy: 0.7423784141820057
Energy: 0.9581189516615564
Energy: 0.2963779793583368
Energy: 0.9461746192565853
Energy: 0.29642425542581385
Energy: 1.0712093102455746
Energy: 0.1428848492416047
Energy: 0.749259941765242
Energy: 0.1428849246000384
Energy: 0.4028722683201289
Energy: 0.3034593150076827
Energy: 0.8089652416726
Energy: 0.3034593413183593
Energy: 1.292600391661824
Energy: 0.3095230630002934
Energy: 0.7939844156826477
Energy: 0.30952306314463957
Energy: 1.0765778643642148
Energy: 0.15598334294764787
Energy: 0.4466959222112606
Energy: 0.1559833429250312
Energy: -0.9290985562467627
Energy: 0.30345968322430167
Energy: 0.5090374190055451
Energy: 0.30345968324689204
Energy: 1.2969365001188322
Energy: 0.3126298743077179
Energy: 0.4924873980361421
Energy: 0.31262987432685513
Energy: 1.3541140179953899
Energy: -0.5621782122379165
Energy: -0.09847198206749208
Energy: -0.5621782123840025
Energy: 1.3140373904502685
Energy: 0.3005938333478099
Energy: 0.3072528183545085
Energy: 0.3005938333478099
Energy: 1.1295125314491679
Energy: -0.06998875924384301
Energy: -0.02796171172471307
Energy: -0.06998875915284901

minimum gb energy = -0.9290985562467627 eV
minimum distance =  2.30925858223486 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.018339790140943345
Energy: 0.26447965608515206
Energy: 1.2841390306585418
Energy: 0.019050746109671234
Energy: 2.989327977463349
Energy: 0.10152805462878449
Energy: -2.5739774942427025
Energy: 0.1015280546301219
Energy: 0.01984007298912116
Energy: -1.8247401128384015
Energy: -3.1943344906970816
Energy: -1.9123155786261363
Energy: 0.019921545415401486
Energy: -2.3534049624854863
Energy: -2.9918863764001826
Energy: -1.9111678336211169
Energy: 3.146060097501144
Energy: -2.162170718783707
Energy: -2.58893016416438
Energy: -2.0699651348682213
Energy: 0.019041637438736814
Energy: -2.089980739087368
Energy: -2.4297939029038256
Energy: -2.2697234655248972

minimum gb energy = -3.1943344906970816 eV
minimum distance =  2.42681877786501 Angstroms
sigma value = 1