Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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=3.615000158548355
cohesive_energy=3.5402784227038655
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=[1.4407989947169838e-19, 2.1537259402544999e-19, 2.6952936860791796e-19, 3.13412986613178e-19, 3.50152499007432e-19, 3.8151030008808e-19, 4.0859990261575193e-19, 4.3218714702149993e-19, 4.5282318206742e-19, 4.70926175854986e-19, 4.86814961534364e-19, 5.00758704780066e-19, 5.1294486025827e-19, 5.2356729134169e-19, 5.32760580867582e-19, 5.40652902966666e-19, 5.47348399120152e-19, 5.52938393396178e-19, 5.57502994626444e-19, 5.6111430075948e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.668132430466179e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.655571365655619e-19, 5.63330111044302e-19, 5.59938303110124e-19, 5.55168623270706e-19, 5.48783949384216e-19, 5.40491083126632e-19, 5.299359434618399e-19, 5.1669395358183e-19, 5.002460082571859e-19, 4.79959247717478e-19, 4.55045401058778e-19, 4.2453354924088197e-19, 3.8719802713878e-19, 3.4167698461357195e-19, 2.85927646456908e-19, 2.1654859167480599e-19, 1.295012136259422e-19, 1.9239257456398797e-20, -1.219802760706194e-19, -3.04887804743664e-19, -5.459785380980819e-19, -8.6963744428569e-19, -1.3103754080028479e-18, -1.90783989223452e-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: 0.01544697444119482
Energy: 0.020232486283728163
Energy: 0.10515715770742444
Energy: 0.10453404607768343
Energy: 0.01951237750135423
Energy: 0.016758806713963934
Energy: 0.10263100030553449
Energy: 0.10490352484676706
Energy: 0.10335446357626303
Energy: 0.018676081941418562
Energy: 0.016131461159155994
Energy: 0.10755083213466343
Energy: 0.10303840441884386
Energy: 0.10452636353106876
Energy: 0.10465753542594679
Energy: 0.10243753820897873
Energy: 0.10730833471325801
Energy: 0.10251117926534878
Energy: 0.10468721036842542
Energy: 0.1040252779572583
Energy: 0.10472613989360857
Energy: 0.018852638882166484
Energy: 0.015926717063096126
Energy: 0.10279166210577552
Energy: 0.10359937035979067
Energy: 0.10424132721256284
Energy: 0.01830081917173627
Energy: 0.01585358094502489
Energy: 0.10233429276448311
Energy: 0.10449507382629562
Energy: 0.10432711131056725
Energy: 0.01717919957515621
Energy: 0.016852740845903776
Energy: 0.10581842839035932
Energy: 0.10273646703065999
Energy: 0.10520032172260634
Energy: 0.017452151597512094
Energy: 0.0162168364936413
Energy: 0.10277529682520596
Energy: 0.10243368247829876
Energy: 0.10372367328332911
Energy: 0.10372324124153758
Energy: 0.10544719053973034
Energy: 0.01749798172078794
Energy: 0.01709447808571263
Energy: 0.10329042990340441
Energy: 0.10370034497188217
Energy: 0.10498337911791149
Energy: 0.018005272909338076
Energy: 0.10402857773274173
Energy: 0.10535084090648629
Energy: 0.10279354541282475
Energy: 0.10339764059818199
Energy: 0.01656176808016514
Energy: 0.019827736511432395
Energy: 0.10544416570397332
Energy: 0.10196742080746668
Energy: 0.10385934742121505
Energy: 0.017018994701664174
Energy: 0.01601456821787396
Energy: 0.016116254310799324
Energy: 0.10536385381400884
Energy: 0.10341888545649468
Energy: 0.10395331299636101
Energy: 0.10580841504347988
Energy: 0.02023090353831034
Energy: 0.10572823314690222
Energy: 0.10365242863865344
Energy: 0.10440239784567462
Energy: 0.10529269658533719

minimum gb energy = 0.01544697444119482 eV
minimum distance =  2.51985831410799 Angstroms
sigma value = 3


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

Energy: 0.7986116899585686
Energy: 0.795268328927977
Energy: 0.8104259165408136
Energy: 0.7591376605850859
Energy: 0.7577132145041702
Energy: 0.8206606947521391
Energy: 0.7581131033367936
Energy: 0.811542533714616
Energy: 0.7795136393157368
Energy: 0.793771783328158
Energy: 0.6907678315360144
Energy: 0.9028059041272175
Energy: 0.8150956579049522
Energy: 0.6731659619172737
Energy: 0.6684597662503022
Energy: 0.7624941553742942
Energy: 0.9613677483578233
Energy: 0.8117278790008462
Energy: 0.6973632871438773
Energy: 0.7970558443245882
Energy: 0.7029360773652329
Energy: 0.8645527051328994
Energy: 0.697344470583379
Energy: 0.6664672127267477
Energy: 0.6677714950793429
Energy: 0.6661796395672342
Energy: 0.7661759677846677
Energy: 0.692789575767799
Energy: 0.6676944215593149
Energy: 0.7848332259773892
Energy: 0.6691650469988318
Energy: 0.910856313933146
Energy: 0.792133387729951
Energy: 0.6658452876750101
Energy: 0.668319831109541
Energy: 0.6658337668813918
Energy: 0.8147879333763877
Energy: 0.6914468431001263
Energy: 0.7361418331834453
Energy: 0.7847909242569858
Energy: 0.8750990364146339
Energy: 0.791848067825963
Energy: 0.8429735218340116
Energy: 0.7099712721471844
Energy: 0.6669219155397895
Energy: 0.8110095595295264
Energy: 0.7960022730410194
Energy: 0.8476590585344083
Energy: 0.8109409026358512
Energy: 0.7099299014914247
Energy: 0.8289940685124192
Energy: 0.7943827587564687
Energy: 0.8468754600733504
Energy: 0.783488552833444
Energy: 0.8976516231748145
Energy: 0.7938356135501972
Energy: 0.7932445965197218
Energy: 0.8426457288734339
Energy: 0.7059785074955721
Energy: 0.8191594813794563
Energy: 0.8352366081382132
Energy: 0.8008179053024145
Energy: 0.8277345658333669
Energy: 0.7043041207267636
Energy: 0.8350171023758363
Energy: 0.833178714613963
Energy: 0.7555593718238172
Energy: 0.8555709890426855
Energy: 0.7042076910246334
Energy: 0.8196929330109892
Energy: 0.8351604464253896
Energy: 0.8191801052376245
Energy: 0.8683785511112297
Energy: 0.7636151588609827
Energy: 0.8369175869315437
Energy: 0.8336712251151019
Energy: 0.8201388837014671
Energy: 0.8573035328445662
Energy: 0.8170999295112052
Energy: 0.8194482205984756
Energy: 0.9242399368529574
Energy: 0.7507920151468489
Energy: 0.70450821061546
Energy: 0.885179975913322
Energy: 0.8192280981118621
Energy: 0.9223911162040842
Energy: 0.727937950375454
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Energy: 0.9070532378364269
Energy: 0.81933418496822
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Energy: 0.7105873676510691
Energy: 0.7828569421380461
Energy: 0.8098320634097591
Energy: 0.6873424256587694
Energy: 0.755332212902784
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Energy: 0.7078323393983275
Energy: 0.778306643573198
Energy: 0.685854081018245
Energy: 0.8559573923133993
Energy: 0.7877495970743651
Energy: 0.7401393484367408
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Energy: 0.6938250088447955
Energy: 0.760964543492763
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Energy: 0.8031173988261834
Energy: 0.7399531193195856
Energy: 0.685959745011344
Energy: 0.8932902262056145
Energy: 0.744706665829178
Energy: 0.7891062795849955
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Energy: 0.7462728740914993
Energy: 0.7985097884837301
Energy: 0.9020414149886876
Energy: 0.7594180949203163
Energy: 0.8612695533265989
Energy: 0.8069975232813649
Energy: 0.895840043124931
Energy: 0.7934130990792576
Energy: 0.8568931841054422
Energy: 0.7421546586076919
Energy: 0.8073698821812334
Energy: 0.8990026830528489
Energy: 0.796827323964084
Energy: 0.8565335095678676
Energy: 0.7575688978625489
Energy: 0.7477007302983284
Energy: 0.8494880660929661
Energy: 0.8511374834014515
Energy: 0.8508580637095534
Energy: 0.7531042091536206
Energy: 0.7489236890051668
Energy: 0.8554909099585695
Energy: 0.8615329121724988
Energy: 0.8635252929049353
Energy: 0.8525264493904392
Energy: 0.7570024325466351
Energy: 0.8564217136390953
Energy: 0.8524517858506157
Energy: 0.8458697054802061
Energy: 0.8522710129291278
Energy: 0.8441894674116699
Energy: 0.851079548956149
Energy: 0.8563259754613076
Energy: 0.7586983457855826
Energy: 0.741119681395156
Energy: 0.8999926635318475
Energy: 0.8546519185490465
Energy: 0.849788122213901
Energy: 0.7491069799511922
Energy: 0.7226864930435882
Energy: 0.8465697995806949
Energy: 0.8521674775964697
Energy: 0.853567811198379
Energy: 0.7490886834011682
Energy: 0.7488667727593463
Energy: 0.7353049578716705
Energy: 0.6963156676256552
Energy: 0.7785908767465515
Energy: 0.7441015280477977
Energy: 0.7883808922261398
Energy: 0.696325236066186
Energy: 0.7001534583881128
Energy: 0.7810026238827332
Energy: 0.7436992631690664
Energy: 0.7486533067158432
Energy: 0.6987377222913939
Energy: 0.6934610342906556
Energy: 0.7748691869031094
Energy: 0.7373911386438775
Energy: 0.8014930979400431
Energy: 0.6994042198596798
Energy: 0.6938566127103246
Energy: 0.7431910480907042
Energy: 0.7386374993003646
Energy: 0.8081288592540049
Energy: 0.8528947808218764
Energy: 0.8425692838731481
Energy: 0.8086338132897148
Energy: 0.7087520980044937
Energy: 0.9203558394155121
Energy: 0.8164677200482628
Energy: 0.9138320096644771
Energy: 0.7839581379215941
Energy: 0.7064916213750397
Energy: 0.8576602865134987
Energy: 0.8563204181866967
Energy: 0.8349837863865535
Energy: 0.7070517768531668
Energy: 0.8179244911336087
Energy: 0.8294994417907321
Energy: 0.8587332954223917
Energy: 0.9057210218036268
Energy: 0.8319658897876043
Energy: 0.8378200984807562
Energy: 0.8341894132730093
Energy: 0.8600593809008026
Energy: 0.8654223708973169
Energy: 0.7044124136899064
Energy: 0.8192057807793339
Energy: 0.83591818306505
Energy: 0.9220106829169745
Energy: 0.7577040687853318
Energy: 0.7041143775008749
Energy: 0.8359061506716866
Energy: 0.8390110477683111
Energy: 0.8207166076790829
Energy: 0.7819489013731628
Energy: 0.7480150047081553
Energy: 0.8190484877379579
Energy: 0.8340345372042015
Energy: 0.8212197555631072
Energy: 0.8041239101768914
Energy: 0.762788655414499
Energy: 0.8356520448270502
Energy: 0.9244400674705775
Energy: 0.730574047575431
Energy: 0.7052318247123943
Energy: 0.8134914588653306
Energy: 0.8203252633843688
Energy: 0.9205881873032069
Energy: 0.7292512255371555
Energy: 0.7385900523610404
Energy: 0.7460770424672922
Energy: 0.817412995971592
Energy: 0.7509626117794262
Energy: 0.7124227052724468
Energy: 0.7058224009950222
Energy: 0.7637387245306456
Energy: 0.6876681533390849
Energy: 0.7346103507040866
Energy: 0.7114357797816353
Energy: 0.7063539174441099
Energy: 0.7576286394362726
Energy: 0.6859496897426346
Energy: 0.7593693162309507
Energy: 0.7089965407592953
Energy: 0.7082869161896147
Energy: 0.744884313195516
Energy: 0.6861027405312654
Energy: 0.7653026613471241
Energy: 0.7864647434297137
Energy: 0.7096259341050187
Energy: 0.7424957065702841
Energy: 0.6856197973139866
Energy: 0.9256298498838649
Energy: 0.7104075196112797
Energy: 0.7101681448988609
Energy: 0.848441762798152
Energy: 0.8059730544230148
Energy: 0.6696721227556661
Energy: 0.6683319684805504
Energy: 0.7895523651239647
Energy: 0.9237146376013815
Energy: 0.8111872571379444
Energy: 0.9248782349063206
Energy: 0.8377253881503869
Energy: 0.8445672015539608
Energy: 0.8594407935758959
Energy: 0.8586270133098669
Energy: 0.8553648386480922
Energy: 0.6677295950323391
Energy: 0.7750700849972141
Energy: 0.8573107236529848
Energy: 0.8578067140558645
Energy: 0.8159666882042401
Energy: 0.7919009856427618
Energy: 0.8112058091470906
Energy: 0.8088761760079621
Energy: 0.7603471735137097
Energy: 0.6684015326661841
Energy: 0.6688605015754712
Energy: 0.8137363929469471
Energy: 0.7615168940064476
Energy: 0.9451547915262989
Energy: 0.7916647530894841
Energy: 0.7575149901260874
Energy: 0.8117161343809632
Energy: 0.7594423939016928
Energy: 0.7570774312536361
Energy: 0.7610781176509546
Energy: 0.7575338891434317
Energy: 0.810128571465203
Energy: 0.7796894275590246
Energy: 0.8675435139816584

minimum gb energy = 0.6658337668813918 eV
minimum distance =  2.31170194556241 Angstroms
sigma value = 75


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

Energy: 1.6589143824096189
Energy: 0.9342424025388267
Energy: 0.7930893580142176
Energy: 0.8111220386526974
Energy: 0.9077568541139441
Energy: 0.7835139418606586
Energy: 0.9236938117979112
Energy: 0.8286438220247765
Energy: 0.8113380502322799
Energy: 0.9277482205152865
Energy: 0.8189648588689535
Energy: 0.8357524490162032
Energy: 0.8115246945390123
Energy: 0.8010420687243999
Energy: 0.834624424186675
Energy: 0.8591285940506026
Energy: 0.8491720195449478
Energy: 0.7932098947412224
Energy: 0.8485201307699916
Energy: 0.8429947298292082
Energy: 0.8763314958411681
Energy: 0.9671384110420946
Energy: 0.8389369934173341
Energy: 0.8495730701065
Energy: 0.8445685526168002
Energy: 0.8568772686613295
Energy: 0.9679273608614791
Energy: 0.8361951058190228
Energy: 0.8847657478788723
Energy: 0.8068709022977878
Energy: 0.8812956039553796
Energy: 0.8007537513240173
Energy: 0.8654785813506414
Energy: 0.8339737456728228
Energy: 0.8127090553392351
Energy: 0.8746335809361508
Energy: 0.815920119559352
Energy: 0.8333815081164395
Energy: 0.8826109640057693
Energy: 0.8553718339862917
Energy: 0.8543074165957142
Energy: 0.797148556387433
Energy: 0.9700466015419917
Energy: 0.8660191841542091
Energy: 0.8112036388985077
Energy: 0.8185382424374439
Energy: 0.7819883989999029
Energy: 0.928437922385088
Energy: 0.8482970923870693
Energy: 0.8108970541334766
Energy: 0.8191341788064749
Energy: 0.830011081170008
Energy: 0.966714337445508
Energy: 0.846762778929627
Energy: 0.8271023282952583
Energy: 0.7968902141008453
Energy: 0.802599048027131
Energy: 0.8126887012238502
Energy: 0.8313560276035223
Energy: 0.8630509732577831
Energy: 0.8627562916082092
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Energy: 0.8581042153689893
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Energy: 0.8744133734777859
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Energy: 0.8874977906771854
Energy: 0.8285102164713941
Energy: 0.8269646522878956
Energy: 0.8800242890263547
Energy: 0.8287567413918772
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Energy: 0.9665100501363683
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Energy: 0.8457430157874081
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Energy: 0.967117761731892
Energy: 0.9526112669924761
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Energy: 0.8695470441416507
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Energy: 0.8678545855305332
Energy: 0.8209434906793097
Energy: 0.8533340107096777
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Energy: 0.841875457240519
Energy: 0.8416031790421914
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Energy: 0.8155359302789795
Energy: 0.8473665230422351
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Energy: 0.8351895759643669
Energy: 0.8131182045973574
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Energy: 0.843099515618103
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Energy: 0.8640970844280167
Energy: 0.845207334833829
Energy: 0.8646489157387155
Energy: 0.8359487126024572
Energy: 0.833958352365026
Energy: 0.8538262945540155
Energy: 0.8090121555987909
Energy: 0.8338679641772071
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Energy: 0.8974020194902583
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Energy: 0.8274777887342808
Energy: 0.8749599929199773
Energy: 0.866691615617546
Energy: 0.8394294273921159
Energy: 0.8588021650943578
Energy: 0.8252363519270783
Energy: 0.846912077010573
Energy: 0.8497303365231305
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Energy: 0.8423505906840415
Energy: 0.7993859447617411
Energy: 0.8390520179029555
Energy: 0.8343376273264591
Energy: 0.8403437401914764
Energy: 0.8114986963680987
Energy: 0.8210677491631825
Energy: 0.9579262124691729
Energy: 0.9307134053684416
Energy: 0.821773098155239
Energy: 0.8092029211005006
Energy: 0.8238127881646043
Energy: 0.9606737661977212
Energy: 0.8600009365156897
Energy: 0.8622134338001327
Energy: 0.8134607607091036
Energy: 0.8116116896560454
Energy: 0.8339058452890742
Energy: 0.8527705109315511
Energy: 0.8307690799116085
Energy: 0.8204283654437571
Energy: 0.8068960733951908
Energy: 0.8260580870510972
Energy: 0.8765697211235262
Energy: 0.8608459271259665
Energy: 0.8130916433363169
Energy: 0.8712199180890344
Energy: 0.8282809064584702
Energy: 0.8761748887562137
Energy: 0.8502442187164686
Energy: 0.8097793611172581
Energy: 0.8149484811349208
Energy: 0.8073435805991686
Energy: 0.833719429295278
Energy: 0.8524708009166568
Energy: 0.832428199053501
Energy: 0.8897671769122348
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Energy: 0.8458173991307759
Energy: 0.8355271018049653
Energy: 0.9001050931585465
Energy: 0.8344584597156756
Energy: 0.8808951187743084
Energy: 0.8113202992701705
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minimum gb energy = 0.774943408960673 eV
minimum distance =  2.2889680339283 Angstroms
sigma value = 105


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

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Energy: 0.8025646550582701
Energy: 0.8335287424832529
Energy: 0.845387038468088
Energy: 0.9152112889287022
Energy: 0.8343962670109045
Energy: 0.8245400276448255
Energy: 0.8896272094160589
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Energy: 0.891997389042766
Energy: 0.833595005657395
Energy: 0.8221724708445891
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Energy: 0.8932287767506903
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Energy: 0.8632666281039273
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Energy: 0.9355421059033231
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Energy: 0.8754168553108507
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Energy: 0.8418364241964683
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Energy: 0.8593528903099046
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Energy: 0.9226693547904566
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Energy: 0.861658940124898
Energy: 0.8520441117724774
Energy: 0.8922302624882443
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Energy: 0.8975361402416192
Energy: 0.8266024329722228
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Energy: 0.9006210000875637
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Energy: 0.9025898032004562
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Energy: 0.8725659611415937
Energy: 0.8683418142944854
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Energy: 0.8695751195270864
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Energy: 0.8847561317779519
Energy: 0.9145431491799515
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Energy: 0.8200634316169773
Energy: 0.8842246519573269
Energy: 0.8682522105925087
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Energy: 0.9019292578943049
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Energy: 0.8754758520782909
Energy: 0.8831686773615397
Energy: 0.8942681906696105
Energy: 0.9043214394417589
Energy: 0.8377416428685754
Energy: 0.9227662307712141
Energy: 0.9131869754509869
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Energy: 0.9147448783576608
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Energy: 0.8724313868632744
Energy: 0.886878473626276
Energy: 0.8997939248982371
Energy: 0.9012048331052525
Energy: 0.9073022386377319
Energy: 0.8751378686146509
Energy: 0.8832140782050879
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Energy: 0.9097108327133037
Energy: 0.9155324954774801
Energy: 0.8215776045597798
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Energy: 0.9044801290197849
Energy: 0.9241933137805838
Energy: 0.9195641720761635
Energy: 0.8122924024537888
Energy: 0.836794330654581
Energy: 0.9116026779441277
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Energy: 0.8362614204146664
Energy: 0.8011993180133017
Energy: 0.8871535641051161
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Energy: 0.8103469280986676
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Energy: 0.8262908433958839
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Energy: 0.9160557288446967
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Energy: 0.8128318250218376
Energy: 0.8018960036579014
Energy: 0.8243014798891074
Energy: 0.8588660641629553
Energy: 0.8164653360446873
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Energy: 0.8437517675434936
Energy: 0.877439884403224
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Energy: 0.8645544612965567
Energy: 0.92487363498438
Energy: 0.9611698870340517
Energy: 0.8697382440971363
Energy: 0.8513267063750763
Energy: 0.848434983903165
Energy: 0.8332245431501003
Energy: 0.9310029663936448
Energy: 0.8144404126714263
Energy: 0.9093587573282936
Energy: 0.8644830643433913
Energy: 0.8230575644816813
Energy: 0.89019764420787
Energy: 0.8091019481575037
Energy: 0.9007843808611278
Energy: 0.8586448837453441
Energy: 0.8418411540943851
Energy: 0.8629734323456172
Energy: 0.866411287663943
Energy: 0.8511758762968035
Energy: 0.854274814855741
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Energy: 0.8206854824935057
Energy: 0.9055538847557664
Energy: 0.8507314750974508
Energy: 0.8564137825415632
Energy: 0.84022764834685
Energy: 0.8383305684744063
Energy: 0.9147713812241445
Energy: 0.8890184056840391
Energy: 0.8208694660619233
Energy: 0.8555702019597081
Energy: 0.8614955491089245
Energy: 0.8368506281848116
Energy: 0.8907672697058452
Energy: 0.838369951507486
Energy: 0.8576456464144656
Energy: 0.8620187027391656
Energy: 0.8840518472030496
Energy: 0.8823744060805019
Energy: 0.8568983995878648
Energy: 0.8118783090294488
Energy: 0.8969606227110962
Energy: 0.88765883006426
Energy: 0.9517503962518532
Energy: 0.8063057976704251
Energy: 0.8393952191155948
Energy: 0.896560920443914
Energy: 0.8947467167614757
Energy: 0.8176192705882173
Energy: 0.8895566800473291
Energy: 0.8908995363150065
Energy: 0.8319079404319737
Energy: 0.8671042388073379
Energy: 0.8070217669884873
Energy: 0.8897457817239031
Energy: 0.9580298746122018
Energy: 0.8517495038115164
Energy: 0.8721096953688117
Energy: 0.8692725192344585
Energy: 0.8916962752720445
Energy: 0.8876149700358086
Energy: 0.802251493984826
Energy: 0.9285079600543819
Energy: 0.818022147864856
Energy: 0.8918328602396521
Energy: 0.8873825910421512
Energy: 0.8029666990004102
Energy: 0.8934580353310109
Energy: 0.913496276494794
Energy: 0.8888774444574236
Energy: 0.8931934973889278
Energy: 0.8281268114384494
Energy: 0.9067655494314477
Energy: 0.920097283853481
Energy: 0.8939777039366668
Energy: 0.8927216979001387
Energy: 0.8532925691060512
Energy: 0.9086433993990559
Energy: 0.9129300200128934
Energy: 0.9050984058723959
Energy: 0.8359935027547791
Energy: 0.8921368864444458
Energy: 0.8939093009661377
Energy: 0.888406825110249
Energy: 0.8978213303386853
Energy: 0.8055141567396263
Energy: 0.8903036272246083
Energy: 0.9362090818447382
Energy: 0.9143861396952631
Energy: 0.9043649703828478
Energy: 0.9100209171959315
Energy: 0.8877683903329134
Energy: 0.8976035653237975
Energy: 0.8936374760224262
Energy: 0.8935525337417047
Energy: 0.8940265619881133
Energy: 0.8579047119269706
Energy: 0.8199528701332577
Energy: 0.9152109055584975
Energy: 0.8564444882406211
Energy: 0.9047211212828087
Energy: 0.9066954216042353
Energy: 0.8184655522537068
Energy: 0.8876300877257047
Energy: 0.8017886141249281
Energy: 0.8976631264203623
Energy: 0.8999353405630645
Energy: 0.8524585959058716
Energy: 0.9524656329976152
Energy: 0.8463619467928956
Energy: 0.8937768330704434
Energy: 0.887758426616546
Energy: 0.8354479660086694
Energy: 0.8884085559785688
Energy: 0.8605288502533895
Energy: 0.9034513198202984
Energy: 0.9111222186408773
Energy: 0.8761778251894413
Energy: 0.9097012567902042
Energy: 0.9165158538786637
Energy: 0.8867651890507371
Energy: 0.9320501784657366
Energy: 0.9330385885131379
Energy: 0.9421479352425961
Energy: 0.9158210483806694
Energy: 0.9253827384708903
Energy: 0.9279019258742948
Energy: 0.9123144862573648
Energy: 0.9099391499441934
Energy: 0.8011645420383666
Energy: 0.831365419502646
Energy: 0.8365850995413547
Energy: 0.8878058445659054
Energy: 0.8017771287719077
Energy: 0.802137109831609
Energy: 0.8034424551117477
Energy: 0.8070243426732886
Energy: 0.913288489377371
Energy: 0.8927282928579998
Energy: 0.8019197641872491
Energy: 0.8027614966953684
Energy: 0.8025668756299145
Energy: 0.8012523360728611
Energy: 0.797578625754332
Energy: 0.8014398775401441
Energy: 0.8301809185374129
Energy: 0.8016074444137086
Energy: 0.9041101125108797

minimum gb energy = 0.797578625754332 eV
minimum distance =  2.29253108987904 Angstroms
sigma value = 165


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

Energy: 1.10178857378577
Energy: 0.78658843588786
Energy: 0.7949682266522062
Energy: 0.838490556568054
Energy: 0.7862430564028224
Energy: 1.1010427738402941
Energy: 0.7957699826102574
Energy: 0.7945509511022183
Energy: 0.8365953146378234
Energy: 0.7861067538943813
Energy: 0.786935341763881
Energy: 0.8337361366266285
Energy: 0.7979073529782361
Energy: 0.8370066211143318
Energy: 0.8384237572792328
Energy: 0.83268627958307
Energy: 0.8328436282122602
Energy: 0.8366871153316923
Energy: 0.8383843739501082
Energy: 0.8798679432127019
Energy: 0.8404974668855018
Energy: 0.8835381794476274
Energy: 0.7943468450866874
Energy: 0.794133067111954
Energy: 0.8686117626375598
Energy: 0.8396326265744323
Energy: 0.8431994514902084
Energy: 0.8397934587185842
Energy: 0.7943376823640546
Energy: 0.8692228033793126
Energy: 0.9147041144532646
Energy: 0.8379701836785426
Energy: 0.8390434112238861
Energy: 0.7951878038100474
Energy: 0.785202980447912
Energy: 0.7960886907586149
Energy: 0.8425409594596495
Energy: 0.8409811670544444
Energy: 0.7949790970822094
Energy: 0.8716689331718783
Energy: 0.8332078262689155
Energy: 0.7911741302412639
Energy: 0.8346864149726579
Energy: 0.8318023768223797
Energy: 0.8353875458530434
Energy: 0.8405917250243394
Energy: 0.7915377784176112
Energy: 0.8345197583391104
Energy: 0.8328316684368874
Energy: 0.8364025941119769
Energy: 0.8408424842521831
Energy: 0.8401973012619092
Energy: 0.7946326654154579
Energy: 0.7895084266134296
Energy: 0.7961588119114676
Energy: 0.8408069901148336
Energy: 0.8399062197076996
Energy: 0.7951706803480576
Energy: 0.7883169096273306
Energy: 0.7963041004352917
Energy: 0.8336497174780304
Energy: 0.8319458204562439
Energy: 0.8329598792209084
Energy: 0.7945318546224699
Energy: 0.8367387479708341
Energy: 0.8826402842509534
Energy: 0.7946083180485045
Energy: 0.8321743856453779
Energy: 0.7959172604141046
Energy: 0.7960305820386071
Energy: 0.8468160054276086
Energy: 0.8325673767686413
Energy: 0.8317537596677207
Energy: 0.8322759673636877
Energy: 0.8329876714001729
Energy: 0.7874304424493853
Energy: 0.8322838488221708
Energy: 0.8311765949985359
Energy: 0.8325020052550591
Energy: 0.7857331224584477
Energy: 0.7880658001229864
Energy: 0.8327330222788681
Energy: 0.7939093965099744
Energy: 0.8324223214694814
Energy: 0.8334546452066721
Energy: 0.7884137268928266
Energy: 0.7963372678178263
Energy: 0.7942974990837762
Energy: 0.831918146961399
Energy: 0.8680922531885827
Energy: 0.8809996172645128
Energy: 0.8413208778145794
Energy: 0.8416069312769804
Energy: 0.8390610346276156
Energy: 0.8322900243812427
Energy: 0.8803509375757016
Energy: 0.8357713845758793
Energy: 0.8400836940476547
Energy: 0.8397311232149708
Energy: 0.8328941629923337
Energy: 0.8679884944295754
Energy: 0.7943165092424928
Energy: 0.8415017561438992
Energy: 0.8405015794398311
Energy: 0.868950014462367
Energy: 0.8402289162107517
Energy: 0.8442322656835732
Energy: 0.8416110503779761
Energy: 0.84190889745943
Energy: 0.84404729422011
Energy: 0.8408053887056806
Energy: 0.8387569294443037
Energy: 0.8410214173743241
Energy: 0.8404450901597512
Energy: 0.7876843540374393
Energy: 0.8405634834198289
Energy: 0.8335612062861439
Energy: 0.8406872721504957
Energy: 0.8404921265932228
Energy: 0.8447241676971061
Energy: 0.9039791626101725
Energy: 0.7915933671209358
Energy: 0.7975452108987573
Energy: 0.8325465856126858
Energy: 0.7937072802227002
Energy: 0.8436040705537589
Energy: 0.8406141634942191
Energy: 0.7971097797289387
Energy: 0.8331798588324003
Energy: 0.7935379072760146
Energy: 0.8411397612649991
Energy: 0.8341965548467088
Energy: 0.8304927412678623
Energy: 0.7894111135724505
Energy: 0.8336054566025616
Energy: 0.841194946840513
Energy: 0.8342395297091619
Energy: 0.7970653233021344
Energy: 0.7867487629348724
Energy: 0.8325905844309489
Energy: 0.7862983555788327
Energy: 0.8407914447542212
Energy: 0.838609969512052
Energy: 0.7953973763133277
Energy: 0.8327748608096348
Energy: 0.7858682239111646
Energy: 0.836734930992188
Energy: 0.8385220841042517
Energy: 0.7953742227799342
Energy: 0.8328781434959661

minimum gb energy = 0.785202980447912 eV
minimum distance =  2.29499445585016 Angstroms
sigma value = 41


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

Energy: 0.993820110422772
Energy: 0.7137864384694896
Energy: 0.719689268475603
Energy: 0.7160189981613797
Energy: 0.7005487671499943
Energy: 0.7612086270048538
Energy: 0.7179800448603927
Energy: 0.7205462900386544
Energy: 0.7205493359655485
Energy: 0.7707057641438715
Energy: 0.772770379655616
Energy: 0.7380003339021408
Energy: 0.7282110184358547
Energy: 0.7333288504813908
Energy: 0.7663083704570507
Energy: 0.7796703311770429
Energy: 0.716312615654839
Energy: 0.7326512907194112
Energy: 0.7320771044775916
Energy: 0.7876883148209338
Energy: 0.7452000655531814
Energy: 0.7680039830396356
Energy: 0.7738180846453093
Energy: 0.7458617924380827
Energy: 0.7582594656254626
Energy: 0.7557152278131875
Energy: 0.7764796391943952
Energy: 0.7777447376251884
Energy: 0.7525614679625844
Energy: 0.7565441887839693
Energy: 0.7820768132647073
Energy: 0.7286944589551763
Energy: 0.7695240206282694
Energy: 0.7649994929061014
Energy: 0.9070947683859503
Energy: 0.782446086696671
Energy: 0.7308430650757856
Energy: 0.7491232292244695
Energy: 0.7548841085374022
Energy: 0.7976146703416541
Energy: 0.7818473384029309
Energy: 0.7659505018951452
Energy: 0.7770742946466798
Energy: 0.7774320568032882
Energy: 0.7649593297570026
Energy: 0.7454776101367716
Energy: 0.7457473168732454
Energy: 0.7765377206324401
Energy: 0.7785982179005723
Energy: 0.7871680570554673
Energy: 0.7994124013137862
Energy: 0.7507165071378998
Energy: 0.7783863874677978
Energy: 0.7139446387152342
Energy: 0.7819782598315161
Energy: 0.7856434533402563
Energy: 0.7507089343321456
Energy: 0.7807976185721209
Energy: 0.7156049135737877
Energy: 0.8102385556753094
Energy: 0.7946366830072494
Energy: 0.781769631489161
Energy: 0.7793752387209879
Energy: 0.7440423076261745
Energy: 0.7774446830569581
Energy: 0.7670615283655356
Energy: 0.7695430964311393
Energy: 0.7752351592367617
Energy: 0.7351157816327067
Energy: 0.7788249632673552
Energy: 0.7360595435059003
Energy: 0.7528977992024647
Energy: 0.7605726050934237
Energy: 0.7373292108800681
Energy: 0.7484665950559233
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Energy: 0.7529768136481154
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Energy: 0.737269180911932
Energy: 0.7583476692968073
Energy: 0.7281669691142914
Energy: 0.7520265750496432
Energy: 0.7550625385909454
Energy: 0.7536460598488398
Energy: 0.7531889090807122
Energy: 0.7351215003680162
Energy: 0.7545189645637025
Energy: 0.7310535730597797
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Energy: 0.7525749582677822
Energy: 0.7841244832247501
Energy: 0.7381193150767594
Energy: 0.7366505865799096
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Energy: 0.7865450733334979
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Energy: 0.737197696118811
Energy: 0.7448596678371975
Energy: 0.7843636508526721
Energy: 0.7381499928097144
Energy: 0.736117525118256
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Energy: 0.7369535045773585
Energy: 0.7349238571687857
Energy: 0.7394565695691774
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Energy: 0.73311444188668
Energy: 0.7402802513052908
Energy: 0.7701940798442481
Energy: 0.7455576488010727
Energy: 0.7409558096680262
Energy: 0.745709040413892
Energy: 0.7337634790790063
Energy: 0.7811607423986567
Energy: 0.750987645516124
Energy: 0.7516850666786541
Energy: 0.7246946483539249
Energy: 0.7340999638608497
Energy: 0.7796993010484868
Energy: 0.7396854831001556
Energy: 0.7349342778098136
Energy: 0.7235121811675126
Energy: 0.7622895669335569
Energy: 0.7695085926974082
Energy: 0.7398945998076215
Energy: 0.7356380558129731
Energy: 0.7241416957497333
Energy: 0.774243452206811
Energy: 0.768848153237846
Energy: 0.7361798377980826
Energy: 0.7416810274967973
Energy: 0.7332759518524682
Energy: 0.7638071989461527
Energy: 0.7324053434125768
Energy: 0.7344515968311092
Energy: 0.742585588031523
Energy: 0.7472623160834734
Energy: 0.7262914934558885
Energy: 0.7620804675832898
Energy: 0.7473246641650804
Energy: 0.7439338343003915
Energy: 0.7364394596915306
Energy: 0.7936272338207258
Energy: 0.7786865020779532
Energy: 0.7343842611253266
Energy: 0.7456363104014635
Energy: 0.7351529832131152
Energy: 0.7796843125793704
Energy: 0.7541388577096874
Energy: 0.7770941603550097
Energy: 0.7715173735893421
Energy: 0.7666698159622666
Energy: 0.7670399858943692
Energy: 0.7767010396723258
Energy: 0.7669185201180376
Energy: 0.7729933618315834
Energy: 0.7671836665403374
Energy: 0.7677624403906086
Energy: 0.7756925100353147
Energy: 0.7648765960413908
Energy: 0.7648590786945922
Energy: 0.7662652206894345
Energy: 0.7619684529080967
Energy: 0.7661113873647293
Energy: 0.7695177986684915
Energy: 0.7651628707397469
Energy: 0.7575158536839987
Energy: 0.7652616148003497
Energy: 0.7634445235933383
Energy: 0.767246180166628
Energy: 0.7790301078861888
Energy: 0.7958670895831902
Energy: 0.7832179095455571
Energy: 0.7356404131133625
Energy: 0.7675598106485019
Energy: 0.777144652781121
Energy: 0.8609338038637676
Energy: 0.7834196859465085
Energy: 0.7212116519515293
Energy: 0.7870862049910685
Energy: 0.7808343781009905
Energy: 0.7940130941917604
Energy: 0.7817578972928949
Energy: 0.7422169627694084
Energy: 0.7942961071714669
Energy: 0.7835202209547755
Energy: 0.7920860103638508
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Energy: 0.7853777209319085
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Energy: 0.7747339438371048
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Energy: 0.7383507838178236
Energy: 0.7392896460062621
Energy: 0.7722387568602642
Energy: 0.7374629403119678
Energy: 0.7468587015943543
Energy: 0.7502007692301879
Energy: 0.7205071063667597
Energy: 0.7802266778589151
Energy: 0.7550856866600889
Energy: 0.7372027060475301
Energy: 0.7370804607221765
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Energy: 0.7371308133964675
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Energy: 0.7638053846675439
Energy: 0.7596624804453297
Energy: 0.7343717313040946
Energy: 0.8226398353129593
Energy: 0.7346012735549391
Energy: 0.7628742090964934
Energy: 0.7595020076527317
Energy: 0.7348971766898924
Energy: 0.8203584625970106
Energy: 0.7325108269291902
Energy: 0.7646195175837749
Energy: 0.7406034852707029
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Energy: 0.7424222247951595
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Energy: 0.7308730099604567
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Energy: 0.7581505335811576
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Energy: 0.7870705037691644
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Energy: 0.7450052267804852
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Energy: 0.770356837932902
Energy: 0.7845582187425257
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Energy: 0.7689498335996553
Energy: 0.7554861488049327
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Energy: 0.7823769696636591
Energy: 0.7566877818133916
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Energy: 0.7163763220935045
Energy: 0.7704900954177686
Energy: 0.7685442305963005
Energy: 0.7653078982664707
Energy: 0.7676542693655823
Energy: 0.7675560165234704
Energy: 0.7401117726561423
Energy: 0.7721951994437253
Energy: 0.766887348325862
Energy: 0.7808706445122626
Energy: 0.787934930629416
Energy: 0.7548737993306315
Energy: 0.7696704870384801
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Energy: 0.7796921536703375
Energy: 0.7839778907750699
Energy: 0.7373075965277233
Energy: 0.7696126408193267
Energy: 0.7782607335116644
Energy: 0.782319529446485
Energy: 0.7775690555304855
Energy: 0.7672363680411652
Energy: 0.7437790505691835
Energy: 0.7741945799788853
Energy: 0.731482826598369
Energy: 0.7793425378072645
Energy: 0.7313889039082085
Energy: 0.7774066729131881
Energy: 0.7708864452744308
Energy: 0.7264710735595716
Energy: 0.7768020964285266
Energy: 0.7902594367468276
Energy: 0.767771122554347
Energy: 0.7635830215780738
Energy: 0.745736338532578
Energy: 0.7753733919232519
Energy: 0.7764908492713932
Energy: 0.7766981217753476
Energy: 0.7644781356963161
Energy: 0.7472659164840462
Energy: 0.7769429119028394
Energy: 0.7777723702850732
Energy: 0.740306646085836
Energy: 0.7321420313855294
Energy: 0.7457292233995438
Energy: 0.799125619689941
Energy: 0.7789077731520517
Energy: 0.7559850600519508
Energy: 0.7444782811691392
Energy: 0.7655289828398156
Energy: 0.7643817341370239
Energy: 0.7759397123950642
Energy: 0.7505173010032798
Energy: 0.7161184648997646
Energy: 0.764016174149118
Energy: 0.7671511716541987
Energy: 0.7753452145044839
Energy: 0.7505458871856904
Energy: 0.7134521901293809
Energy: 0.7655867246207522
Energy: 0.7824774289007227
Energy: 0.7130277660828511
Energy: 0.714353686844769
Energy: 0.7369768555252572
Energy: 0.7536772203374787
Energy: 0.8245047843020546
Energy: 0.7301045893761986
Energy: 0.7362374206703991
Energy: 0.7419124104685452
Energy: 0.7372322817152178
Energy: 0.7574318047623346
Energy: 0.7231666805313459
Energy: 0.7183741061747879
Energy: 0.719930932419826
Energy: 0.7381331755403276
Energy: 0.7709827439326064
Energy: 0.7184582530957758
Energy: 0.7384626403770445
Energy: 0.7263628806426111
Energy: 0.781295114429592
Energy: 0.7972286555397601
Energy: 0.728276857655628
Energy: 0.7185342118544685
Energy: 0.7192875722841392
Energy: 0.7678469303168765
Energy: 0.772458515629671
Energy: 0.7332460892244366
Energy: 0.724803851621554
Energy: 0.7175294194789903
Energy: 0.7528982104504476
Energy: 0.7134126718949515
Energy: 0.7334171589537611
Energy: 0.734339150084978
Energy: 0.7161343001778684
Energy: 0.7429626612835784
Energy: 0.7161495725400203
Energy: 0.729179486455499
Energy: 0.7256511093714688
Energy: 0.7475140733845564

minimum gb energy = 0.7005487671499943 eV
minimum distance =  2.30974752764742 Angstroms
sigma value = 185


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

Energy: 0.879169092837686
Energy: 0.7435956179444246
Energy: 0.4745745750747202
Energy: 0.4954183509058245
Energy: 0.5460749778642366
Energy: 0.5736050323274197
Energy: 0.4760318045272007
Energy: 0.48759311150121654
Energy: 0.4822874501295111
Energy: 0.7409051356998567
Energy: 0.73604140919509
Energy: 0.4721840569425499
Energy: 0.514780864576784
Energy: 0.4603083859841473
Energy: 0.4643821457253233
Energy: 0.4679112212002187
Energy: 0.4772161599615162
Energy: 0.6465721761881024
Energy: 0.45578239356869665
Energy: 0.45291485277106486
Energy: 0.45916515473388153
Energy: 0.4610504693502701
Energy: 0.46285302499940356
Energy: 0.48614415263467714
Energy: 0.6492528702430362
Energy: 0.4683193487358898
Energy: 0.4709742576203112
Energy: 0.4671109150571343
Energy: 0.48300023936686703
Energy: 0.5302743853137641
Energy: 0.5305842189753346
Energy: 0.4866154850593341
Energy: 0.4865928888096195
Energy: 0.4767288697762472
Energy: 0.6581986596860429
Energy: 0.6490476565020966
Energy: 0.4809230376514381
Energy: 0.4798366968865916
Energy: 0.4716681042827224
Energy: 0.5411745236304945
Energy: 0.454058316499793
Energy: 0.4914975287129256
Energy: 0.49070555296928864
Energy: 0.4583293726422276
Energy: 0.46993812678916275
Energy: 0.47748072664311925
Energy: 0.50599676759439
Energy: 0.47611377367408264
Energy: 0.4671700354490414
Energy: 0.46087200545507084
Energy: 0.47175355196820346
Energy: 0.4640993254955337
Energy: 0.4799282167665788
Energy: 0.5446046642016505
Energy: 0.5257013913998695
Energy: 0.4718106721963648
Energy: 0.4743904213583229
Energy: 0.4739827955281244
Energy: 0.6478870124084277
Energy: 0.6269308806430278
Energy: 0.474949222373683
Energy: 0.4639526717386371
Energy: 0.4636132210484315
Energy: 0.5450610223928403
Energy: 0.5403258900998881
Energy: 0.48539731382278434
Energy: 0.4635234890982434
Energy: 0.4586921939939987
Energy: 0.6505223836818819
Energy: 0.4720388349252518
Energy: 0.4878125788352776
Energy: 0.4884486489136518
Energy: 0.4627008333516527
Energy: 0.47256837108401956
Energy: 0.4561150203858141
Energy: 0.48574393008911415
Energy: 0.4873536705805682
Energy: 0.46428605420046726
Energy: 0.47043677656946586
Energy: 0.4615003453896187
Energy: 0.6615667866970879
Energy: 0.4829681629619127
Energy: 0.6433065451239497
Energy: 0.647569423451275
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Energy: 0.48244698524903534
Energy: 0.47868883365120823
Energy: 0.6563416164114504
Energy: 0.6080788800340524
Energy: 0.4853924857050115
Energy: 0.46175546806191814
Energy: 0.46110943865617293
Energy: 0.6289744508786265
Energy: 0.4632928807636461
Energy: 0.48537065343050023
Energy: 0.4863086935193114
Energy: 0.46094176673524007
Energy: 0.5944358461815741
Energy: 0.47497710717174263
Energy: 0.4797356348245378
Energy: 0.48192928034110794
Energy: 0.47077599016077604
Energy: 0.6382013528207662
Energy: 0.4570647203496707
Energy: 0.4640981018247767
Energy: 0.48630094808524943
Energy: 0.6078166394281689
Energy: 0.6075435012999951
Energy: 0.4612670819105167
Energy: 0.47358814494191226
Energy: 0.4846441241721162
Energy: 0.6417005672268772
Energy: 0.6387310063950471
Energy: 0.4866528119490651
Energy: 0.5096117672244052
Energy: 0.4912373907451535
Energy: 0.612653701847796
Energy: 0.6081268509824735
Energy: 0.46950237028481995
Energy: 0.6630931689329711
Energy: 0.4608526620021406
Energy: 0.45748210484599067
Energy: 0.46350881068360145
Energy: 0.4802886295858449
Energy: 0.48444931411363146
Energy: 0.4604981728019824
Energy: 0.4679598729341965
Energy: 0.4577351375039791
Energy: 0.48727731181017625
Energy: 0.4836260175986301
Energy: 0.5986749929893243
Energy: 0.6054816838425526
Energy: 0.4640776731229769
Energy: 0.48767119762427746
Energy: 0.4702155605834468
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Energy: 0.6146197069982379
Energy: 0.47517919049681384
Energy: 0.48367462568788533
Energy: 0.4764251740849268
Energy: 0.5817254995392284
Energy: 0.602705769383531
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Energy: 0.5931894611843066
Energy: 0.47219234435124097
Energy: 0.5999035225478065
Energy: 0.6174984894988265
Energy: 0.4921439468106169
Energy: 0.5808448939489618
Energy: 0.4847760594559282
Energy: 0.4538253621437589
Energy: 0.45891994504910627
Energy: 0.4705236466653709
Energy: 0.4871080758578991
Energy: 0.4642306479874764
Energy: 0.46209834891380863
Energy: 0.4680001997227131
Energy: 0.47032636689068924
Energy: 0.4963403676123437
Energy: 0.4537283748112597
Energy: 0.6625318046664825
Energy: 0.4536766047833787
Energy: 0.4875673598834968
Energy: 0.4943612464493197
Energy: 0.5708956986676655
Energy: 0.5542919844849432
Energy: 0.4752954739129223
Energy: 0.4850291260166381
Energy: 0.46921609262038766
Energy: 0.6616411752593205
Energy: 0.6629629168243677
Energy: 0.47785913485543235
Energy: 0.4678905112166278
Energy: 0.4610415398501069
Energy: 0.4671015231620069
Energy: 0.544227060561773
Energy: 0.4875144387188515
Energy: 0.576395861864963
Energy: 0.4560202116533484
Energy: 0.4582964878866713
Energy: 0.4612240558691241
Energy: 0.4706936061961628
Energy: 0.47205944756565454
Energy: 0.48536100690798617
Energy: 0.6000786250636228
Energy: 0.46949501477118105
Energy: 0.4602778463339093
Energy: 0.4899525565608469
Energy: 0.47704456302934056
Energy: 0.5851717311645079
Energy: 0.5989749842261628
Energy: 0.479256499477756
Energy: 0.49445881476261067
Energy: 0.47837892854826924
Energy: 0.6567511350476307
Energy: 0.6129967491898982
Energy: 0.49500504949420476
Energy: 0.4949684085756725
Energy: 0.5966008783844916
Energy: 0.6408132249013411
Energy: 0.47236100555977983
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Energy: 0.46142248417540743
Energy: 0.46264007463944185
Energy: 0.469499666636121
Energy: 0.47671730198453127
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Energy: 0.592954637245796
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Energy: 0.47971967273988164
Energy: 0.4679430971324202
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Energy: 0.6377399652782008
Energy: 0.4578159306571606
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Energy: 0.47647890641173585
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Energy: 0.48041253390520866
Energy: 0.47146930650382085
Energy: 0.6478872253533546
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Energy: 0.46121372560719476
Energy: 0.46656540661181506
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Energy: 0.6473840551905945
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Energy: 0.6096932476890593
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Energy: 0.48461875375618524
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Energy: 0.643990252675042
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Energy: 0.4633840863115012
Energy: 0.5931566281897198
Energy: 0.6081953781312278
Energy: 0.4851528937405522
Energy: 0.4513185812990218
Energy: 0.4625847957734141
Energy: 0.6422336037330731
Energy: 0.6427836713685979
Energy: 0.4763128633854706
Energy: 0.49401425451189723
Energy: 0.45952297248365737
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Energy: 0.4639225299820158
Energy: 0.48369604316256787
Energy: 0.4875562866733587
Energy: 0.45897242076355027
Energy: 0.4694298751661177
Energy: 0.4678908841528967
Energy: 0.4874002637028566
Energy: 0.4736219341103903
Energy: 0.6422171926667364
Energy: 0.6417512323925053
Energy: 0.4741652262362651
Energy: 0.6329204653422901
Energy: 0.47553747159280557
Energy: 0.5544787525629185
Energy: 0.5419943743547411
Energy: 0.47585104987667753
Energy: 0.5960197752561746
Energy: 0.4565080831086258
Energy: 0.46031692071581837
Energy: 0.6266731993009774
Energy: 0.47425564349875504
Energy: 0.4902617556199258
Energy: 0.4602509860760506
Energy: 0.4658977743723927
Energy: 0.458162355972219
Energy: 0.48527230172210617
Energy: 0.4867557763859587
Energy: 0.4884949938313301
Energy: 0.5426339816279063
Energy: 0.45281849590214746
Energy: 0.45132250506391275
Energy: 0.4885774289286659
Energy: 0.47661320545927144
Energy: 0.6476714922714876
Energy: 0.461846908771985
Energy: 0.46752171519189334
Energy: 0.4690917853116987
Energy: 0.5144933519301532
Energy: 0.5435180306082029
Energy: 0.48767220509711456
Energy: 0.5126569973384336
Energy: 0.48254485888346965
Energy: 0.6486743214414304
Energy: 0.649955055309495
Energy: 0.4862090185270017
Energy: 0.6061295110712198
Energy: 0.4859978930711173
Energy: 0.4509409485440593
Energy: 0.4557281796728143
Energy: 0.48700804481614496
Energy: 0.4869005302829082
Energy: 0.4614933955203654
Energy: 0.46847001363985774
Energy: 0.46594093199393444
Energy: 0.47054050261882907
Energy: 0.6306584635540909
Energy: 0.46082511540065685
Energy: 0.736499336762261
Energy: 0.4541181282725348
Energy: 0.47015417621224087
Energy: 0.46608556465926987
Energy: 0.47505664616150045
Energy: 0.549102806128734
Energy: 0.466299043862089
Energy: 0.4842388467217739
Energy: 0.46940646299798144
Energy: 0.7372260154419519

minimum gb energy = 0.4509409485440593 eV
minimum distance =  2.30034371793172 Angstroms
sigma value = 33


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

Energy: 0.6835858010864464
Energy: 0.672459864512721
Energy: 0.6856947826555821
Energy: 0.6913007400858907
Energy: 0.660503674599267
Energy: 0.6588324117650878
Energy: 0.667858317143582
Energy: 0.6938908623734986
Energy: 0.6959934140483365
Energy: 0.6690800392601551
Energy: 0.6699170190069632
Energy: 0.7002721504727795
Energy: 0.6837662961509451
Energy: 0.6831920766582641
Energy: 0.6760734570064747
Energy: 0.6640368096784903
Energy: 0.693228326784671
Energy: 0.702513337986625
Energy: 0.6768018918017406
Energy: 0.6901274726254348
Energy: 0.6754887094489886
Energy: 0.6817740517702952
Energy: 0.6802428771481984
Energy: 0.6934701381794254
Energy: 0.6664834027356107
Energy: 0.6673494953812631
Energy: 0.6726071867611273
Energy: 0.6834761209325877
Energy: 0.6999973771095467
Energy: 0.665527210242626
Energy: 0.6822611458532327
Energy: 0.6996743207636055
Energy: 0.6886251936132635
Energy: 0.6747328513465576
Energy: 0.6715278127920578
Energy: 0.6670124807929749
Energy: 0.6952383950094606
Energy: 0.6821284688903737
Energy: 0.6898852738102054
Energy: 0.6787203876765543
Energy: 0.6845870100347063
Energy: 0.6870364657079071
Energy: 0.6986504717651955
Energy: 0.6765442535993448
Energy: 0.6605230666725103
Energy: 0.6880048279481278
Energy: 0.6991688254399271
Energy: 0.6946157368590296
Energy: 0.677335454258015
Energy: 0.6748698872087973
Energy: 0.6886649758229093
Energy: 0.6849146586380945
Energy: 0.7022606675720996
Energy: 0.6792702144806617
Energy: 0.6692974398932167
Energy: 0.6880622360647775
Energy: 0.695776065095393
Energy: 0.7136446168359465
Energy: 0.6788039582118672
Energy: 0.6703199976793764
Energy: 0.7008736273157055
Energy: 0.6818397797687656
Energy: 0.6782845036839527
Energy: 0.6790643117788613
Energy: 0.6877577695307981
Energy: 0.7447702887911323
Energy: 0.6821232147768266
Energy: 0.6785745527080179
Energy: 0.6777915233862576
Energy: 0.7015060553015133
Energy: 0.6781300093445779
Energy: 0.6914267049653291
Energy: 0.675070772233839
Energy: 0.6905045725930874
Energy: 0.6766671124755805
Energy: 0.6779921480844691
Energy: 0.6952151812252706
Energy: 0.6743840251408295
Energy: 0.692806110929964
Energy: 0.6771043479345608
Energy: 0.6766801192215245
Energy: 0.6887338368383804
Energy: 0.6668551144813556
Energy: 0.6682172866911443
Energy: 0.6867454273871322
Energy: 0.6764522243543489
Energy: 0.6891717837934633
Energy: 0.6669682506833607
Energy: 0.6681412871449165
Energy: 0.6863299656417589
Energy: 0.7126736709305819
Energy: 0.6713444614154054
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Energy: 0.6749283658063717
Energy: 0.6747619401128728
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Energy: 0.6767477838898422
Energy: 0.6737782559351375
Energy: 0.6738258206539748
Energy: 0.6813477736172722
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Energy: 0.6799429433349098
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Energy: 0.6789067785113967
Energy: 0.6787663694366485
Energy: 0.7003636085822205
Energy: 0.6750628945531734
Energy: 0.6869504528868562
Energy: 0.6687111623099611
Energy: 0.6687982069203987
Energy: 0.6998823988883274
Energy: 0.6713696188700087
Energy: 0.6773631005522849
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Energy: 0.6699981446130195
Energy: 0.6703054879259209
Energy: 0.6806946629224887
Energy: 0.68417122551587
Energy: 0.6768301337745354
Energy: 0.6788082095620411
Energy: 0.6779137516848021
Energy: 0.6758952313058796
Energy: 0.6727235123371488
Energy: 0.6936113639666175
Energy: 0.6693269577593076
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Energy: 0.6771379611489814
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Energy: 0.6923187538275831
Energy: 0.6770991707861743
Energy: 0.6835308947131744
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Energy: 0.6573662754428689
Energy: 0.6693115513027722
Energy: 0.69118564550069
Energy: 0.6991306211298008
Energy: 0.6774555547049791

minimum gb energy = 0.6573662754428689 eV
minimum distance =  2.32389094073624 Angstroms
sigma value = 219


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

Energy: 0.8758473939189648
Energy: 0.8935595358161632
Energy: 0.8818563633116221
Energy: 0.8822406765147033
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Energy: 0.8703344026355799
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Energy: 0.8706515682534293
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Energy: 0.891837869906444
Energy: 0.891427706261876
Energy: 0.8753130286386009
Energy: 0.8697177858429836
Energy: 0.9002965480464163
Energy: 0.8806333869261003
Energy: 0.8874457406891254
Energy: 0.8742507643629454
Energy: 0.8701687596983366
Energy: 0.887109001406398
Energy: 0.8806525390579071
Energy: 0.9030495149262416
Energy: 0.8888233453103962
Energy: 0.8754457151270524
Energy: 0.8832227287850655
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Energy: 0.9048272579234471
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Energy: 0.8821514580460236
Energy: 0.8762816711720802
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Energy: 0.856766453270307
Energy: 0.8806645201994766
Energy: 0.881832707437201
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Energy: 0.864645208582099
Energy: 0.8562902225496299
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Energy: 0.8933330169822326
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Energy: 0.8825865556672274
Energy: 0.8815150291405477
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Energy: 0.8835117411518384
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Energy: 0.899544137666762
Energy: 0.8926845962396506
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Energy: 0.8929454292424234
Energy: 0.8809921173930845
Energy: 0.8833881162849552
Energy: 0.8767993610312621
Energy: 0.8783788190247007
Energy: 0.8917838868058787
Energy: 0.899922559821162
Energy: 0.9110087770947048
Energy: 0.8915294872227489
Energy: 0.8790605924173319
Energy: 0.886710193348015
Energy: 0.8842686647171967
Energy: 0.8815238354948783
Energy: 0.8926313673369907
Energy: 0.879674346551001
Energy: 0.8753701457693408
Energy: 0.8851985979033737
Energy: 0.8828037782925259
Energy: 0.8761536741097771
Energy: 0.8917771074835885
Energy: 0.8726958057588359
Energy: 0.8741481379017033
Energy: 0.8833957296470767
Energy: 0.8774756814901963
Energy: 0.8920281428335913
Energy: 0.8718249083060802
Energy: 0.8754946023201815
Energy: 0.8822853657538327

minimum gb energy = 0.8562902225496299 eV
minimum distance =  2.33359360717527 Angstroms
sigma value = 15


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

Energy: 0.9802125958349176
Energy: 0.9976504014617106
Energy: 1.004373429433291
Energy: 0.9974379946565239
Energy: 1.016765251395677
Energy: 0.978793692044748
Energy: 1.0022190506751911
Energy: 1.0093373057553165
Energy: 0.9959524823791384
Energy: 1.011939469520826
Energy: 1.0227116840794355
Energy: 0.9933130088258076
Energy: 0.9960517206958499
Energy: 0.9958339808154385
Energy: 0.9971880683583024
Energy: 1.0038165972834625
Energy: 0.9938115378460813
Energy: 0.9920540762868975
Energy: 0.9945363530982995
Energy: 1.0018762479248875
Energy: 1.0184570534444404
Energy: 0.9946322106758886
Energy: 0.9942397917767448
Energy: 0.9889513362299597
Energy: 1.0195958815349428
Energy: 1.018449022186523
Energy: 0.9942848506649004
Energy: 0.993252081773231
Energy: 0.989562925518475
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Energy: 1.013918912491408

minimum gb energy = 0.9677589502794497 eV
minimum distance =  2.30757186821941 Angstroms
sigma value = 293


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

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Energy: 1.0088191633198054
Energy: 1.0105752723516597
Energy: 0.9859788996999638
Energy: 1.0045121825472403
Energy: 1.0238967995915884
Energy: 0.9859104018913695
Energy: 1.0059716654204314
Energy: 1.0585626466214497
Energy: 0.981883852863474
Energy: 1.0221951131894396
Energy: 0.9843203242011151
Energy: 1.0072000276406825
Energy: 1.0398361199880108
Energy: 0.9833804581835732
Energy: 0.997081670415445
Energy: 0.993585359927388
Energy: 1.0256730081222878
Energy: 0.9819158623281895
Energy: 0.990554617274943
Energy: 1.0241043778567185
Energy: 0.9916156347663841
Energy: 1.0264725850280005
Energy: 0.980363720017666
Energy: 1.054978437144542
Energy: 1.0235772904371043
Energy: 0.9598688695935479
Energy: 0.9985546781277826
Energy: 0.9814472035057346
Energy: 0.9801418950985706
Energy: 1.0078154858513562
Energy: 0.9570027924081363
Energy: 1.00242358927272
Energy: 0.9807949181726008
Energy: 0.9820128686316465
Energy: 1.0000819181781213
Energy: 0.9820168333548636
Energy: 0.9787088461696639
Energy: 0.9796774598772782
Energy: 0.9869112694256647
Energy: 0.9818185993339672
Energy: 0.9862696642555535
Energy: 0.9783376842622834
Energy: 0.980404435863709
Energy: 0.9876473145696427
Energy: 0.9812014542230272
Energy: 0.9942078704700953
Energy: 0.9797299866625936
Energy: 0.9787808171548202
Energy: 1.0376479651691943
Energy: 1.0183453887735063
Energy: 1.0060674940008876
Energy: 0.9795077470695744
Energy: 0.9785212985054128
Energy: 0.9939738814639008
Energy: 0.9854406428359331
Energy: 1.0422214019888731
Energy: 0.9587707555736322
Energy: 0.9615648570588785
Energy: 1.0132736249725056
Energy: 1.0167742188893594
Energy: 1.0432969682705584
Energy: 0.9589551137755604
Energy: 0.9617720097256341
Energy: 1.0138530203567888
Energy: 1.019165070982295
Energy: 1.0103829671406515
Energy: 0.9625127719903246
Energy: 1.0356366467543698
Energy: 0.9826397145790736
Energy: 0.9794582735782503
Energy: 1.0122112596702308
Energy: 0.9622794081233264
Energy: 0.9599814415297818
Energy: 0.9807717224708622
Energy: 0.9802714119558014
Energy: 0.9790099128601955
Energy: 0.9831127147821371
Energy: 0.9818393998601777
Energy: 0.984608150311281
Energy: 0.9792694610805869
Energy: 0.9794433333831052
Energy: 0.9781316159640038
Energy: 0.9818218990307371
Energy: 0.9830630556106544
Energy: 0.9795620534740445
Energy: 0.977214734607715
Energy: 0.976070998437645
Energy: 1.002472834428815
Energy: 0.9794824090010172
Energy: 1.0049616127242609
Energy: 0.9767899912504207
Energy: 0.9770100255925264
Energy: 1.0015954719355171
Energy: 0.9799497774605581
Energy: 1.0045440964874028
Energy: 0.980089752906555
Energy: 0.9896516684372919
Energy: 1.025597115757364
Energy: 1.0084421548733227
Energy: 0.9917956031363581
Energy: 0.9792175021092331
Energy: 1.0230337846738058
Energy: 1.0269216625733641
Energy: 1.0075667655990146
Energy: 0.9825095700689809
Energy: 1.006114788590049
Energy: 0.9838680406610985
Energy: 1.02349886014687
Energy: 1.0094688832926448
Energy: 1.03356020975138
Energy: 1.011209752845458
Energy: 1.026053252633885
Energy: 1.0242747681612079
Energy: 1.0085022005953619
Energy: 0.983809851718483
Energy: 0.9876962153113649
Energy: 0.9914579079673633
Energy: 1.0467863925663254
Energy: 0.9927539365579774
Energy: 0.9870557604363521
Energy: 0.9854126001553428
Energy: 0.9803370621156399
Energy: 0.9909014880902185
Energy: 0.9948343464117074
Energy: 0.9851305061543953
Energy: 0.9796537499474905
Energy: 0.989368278614033
Energy: 0.9587552743536191
Energy: 0.9574704468578914
Energy: 0.9863452571515887
Energy: 0.9796467661722226
Energy: 0.9848978580337155
Energy: 0.9580278357837936
Energy: 0.9579006836210385
Energy: 0.9862181616904799
Energy: 0.9856623902834484
Energy: 0.9900822812855603
Energy: 0.9827428304677006
Energy: 0.9809727613064749
Energy: 0.9788950058687098
Energy: 0.9853343817274188
Energy: 0.9909408658775178
Energy: 1.0160428282343128
Energy: 0.9807139719736142
Energy: 0.9796802219145608
Energy: 1.0180462326764832
Energy: 0.9823240665564292
Energy: 0.9775149543250312
Energy: 1.0119443886571957
Energy: 0.9828622952302817
Energy: 1.0109652058611787
Energy: 0.9816005856463196
Energy: 0.9776152011887165
Energy: 1.0112551808737682
Energy: 0.9819217168539205
Energy: 0.961518704027269
Energy: 0.9827205777905688
Energy: 1.0055634791244565
Energy: 0.9814727020945678
Energy: 0.9880138395099041
Energy: 1.0054618519195653
Energy: 0.9811100900217569
Energy: 1.029678002652585
Energy: 0.9928800491849419
Energy: 0.9627567014289202
Energy: 1.0333753790156386
Energy: 0.9782448112450945
Energy: 0.9785660613581042
Energy: 1.0294609005641198
Energy: 0.9622896734815549
Energy: 1.0392222772070192
Energy: 0.977918055612821
Energy: 0.9789015121279424
Energy: 0.9975365912567098
Energy: 0.960880838803567
Energy: 0.9810945502772481
Energy: 0.9832567840587566
Energy: 0.9784790108516619
Energy: 1.0236069692550944
Energy: 0.9795738324983936
Energy: 0.9913314015768901
Energy: 0.9848399790312673
Energy: 0.9782627989957116
Energy: 0.988683097209043
Energy: 0.9810767291310425
Energy: 1.0043442737465496
Energy: 1.0078348576128815
Energy: 1.0011963740596697
Energy: 0.9767141387678274
Energy: 0.9766437896673947
Energy: 0.9836549597510226
Energy: 1.0091098956897644
Energy: 1.0016786224030165
Energy: 0.9757192784559698
Energy: 0.9777582237992758
Energy: 0.9853097179933775
Energy: 1.0074870499207766
Energy: 1.0345864428284868
Energy: 0.9801595557376056
Energy: 1.0228874697456571
Energy: 0.9919051993518512
Energy: 1.0088102438255424
Energy: 1.033931723842212
Energy: 1.0158409675984725
Energy: 1.0230392314677623
Energy: 0.9861426275521249
Energy: 1.0079342024636104
Energy: 0.9861201533552277
Energy: 0.9820878741278268
Energy: 1.0227871563558109
Energy: 0.9838028859625274
Energy: 1.0090763965066285
Energy: 1.0668338462249756
Energy: 0.9835037612646719
Energy: 1.0230446382893519
Energy: 0.9579995465203515
Energy: 0.9870595146580615
Energy: 0.9820699985511215
Energy: 0.9858606875317559
Energy: 1.0255915885592477
Energy: 1.006462186278865
Energy: 0.9830201430075293
Energy: 0.9806808359213718
Energy: 0.9868488309893879
Energy: 1.0112262423246419

minimum gb energy = 0.956004938763275 eV
minimum distance =  2.28828299141312 Angstroms
sigma value = 293


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

Energy: 0.9475978979103136
Energy: 0.9649842179647017
Energy: 1.0368849166667895
Energy: 0.9693095175319427
Energy: 0.956672533388632
Energy: 0.94783615654783
Energy: 0.9714879352426948
Energy: 1.0370335040115795
Energy: 0.9706846879480424
Energy: 0.9541979452575472
Energy: 0.9500357884381363
Energy: 0.9632904750325905
Energy: 0.9621845109703061
Energy: 0.963547416196185
Energy: 0.9637334419308726
Energy: 1.0242273615427697
Energy: 0.9641200804492613
Energy: 0.9532579775438739
Energy: 0.9660452525942682
Energy: 0.9644888604128588
Energy: 0.9688485846923323
Energy: 0.9644545097874059
Energy: 0.9670366614689377
Energy: 0.970044221310755
Energy: 1.0241436340970467
Energy: 0.9678294157088576
Energy: 0.9632253388319101
Energy: 0.9638517615686182
Energy: 1.039612162257736
Energy: 1.0252148512483417
Energy: 1.039714365398385
Energy: 0.9494492131295009
Energy: 0.952432330177337
Energy: 0.9674336043269058
Energy: 1.0314664341824933
Energy: 1.0417140083045195
Energy: 0.9489883465912868
Energy: 0.9541012517056491
Energy: 0.9680392113660539
Energy: 0.9498654617877734
Energy: 0.9683144280209025
Energy: 0.9529444127211204
Energy: 0.9485093380497026
Energy: 0.9632314952638827
Energy: 0.9659599848123789
Energy: 0.9670597375141637
Energy: 0.9542199622096358
Energy: 0.9489241079829185
Energy: 0.9627097605284686
Energy: 0.9635345432886658
Energy: 0.9634901703330203
Energy: 1.038741870279763
Energy: 0.9720184898393965
Energy: 0.967390773100492
Energy: 0.9578291429790301
Energy: 0.9655111359301124
Energy: 1.039476888368975
Energy: 0.9714691295937569
Energy: 0.9686451703808072
Energy: 0.9616363759765447
Energy: 1.0407395102663721
Energy: 0.9505474186979268
Energy: 0.9656008723989123
Energy: 0.9636209932139965
Energy: 0.9628892556580807
Energy: 1.041172715004435
Energy: 0.9493484984118005
Energy: 0.9633698600144698
Energy: 0.9634237453448334
Energy: 0.9628376364648545
Energy: 0.9691850247220041
Energy: 1.0210773096941006
Energy: 1.0419717759326896
Energy: 0.9484437204447168
Energy: 0.9681739436987877
Energy: 0.9713025743662066
Energy: 1.0199089969176862
Energy: 0.9699177334026606
Energy: 0.948465156587695
Energy: 0.9726371835737742
Energy: 0.962888543703695
Energy: 0.9530771861161377
Energy: 0.9659442599618528
Energy: 0.9513366685584126
Energy: 1.0245374907623241
Energy: 0.9626645444151094
Energy: 0.9627947386962714
Energy: 0.9632209254527617
Energy: 0.9502222263857552
Energy: 1.030388881432032
Energy: 0.9686810564781464
Energy: 0.9665443039704962
Energy: 1.020503440355369
Energy: 1.042861715592407
Energy: 0.9694479985220941
Energy: 0.9687129822403803
Energy: 0.9689674217117703
Energy: 1.0206502126528751
Energy: 0.9715922204986905
Energy: 0.9658921875303949
Energy: 0.9502212944604906
Energy: 0.9659009551260322
Energy: 0.9618754225849809
Energy: 0.9650646841328703
Energy: 1.0278699077300468
Energy: 0.9508004396760592
Energy: 0.964492686102302
Energy: 0.9482409980035098
Energy: 0.965175069057345
Energy: 1.026729800658861
Energy: 0.947826321325881
Energy: 0.9701253473638428
Energy: 1.036127373114235
Energy: 0.9697241528002982
Energy: 0.9570290913352306
Energy: 0.9483634693263824
Energy: 0.971844802328443
Energy: 1.038897588075317
Energy: 0.9703053832486245
Energy: 0.9547710862224811
Energy: 1.0264830768272957
Energy: 0.9633347335009012
Energy: 0.9621094002259397
Energy: 0.9630301949534115
Energy: 0.963782741492182
Energy: 1.0249496082247034
Energy: 0.9637145233987673
Energy: 0.9544200626139301
Energy: 0.9656375415116768
Energy: 0.9642625843745235
Energy: 0.9683974811883745
Energy: 0.9650548573709992
Energy: 0.9672382995963463
Energy: 1.0425002498058216
Energy: 1.0242641159962929
Energy: 0.9676361214203262
Energy: 0.9633320696782222
Energy: 0.9637202614463588
Energy: 1.0391511636412423
Energy: 1.0251259265691641
Energy: 1.037438023128294
Energy: 0.949492932746965
Energy: 0.9521927040074533
Energy: 0.967417624352409
Energy: 1.026582310161966
Energy: 1.0414788683211107
Energy: 0.9490364907378651
Energy: 0.9537879438400044
Energy: 0.9680274138847735
Energy: 1.0246922683310697
Energy: 0.968491911394834
Energy: 0.9534861300068116
Energy: 0.9484571969756939
Energy: 0.9631099349099984
Energy: 0.9662590884933225
Energy: 0.966781835556054
Energy: 0.9535799909931605
Energy: 0.9489323059508692
Energy: 0.9630317497662283
Energy: 0.9635887097570389
Energy: 0.963084100164304
Energy: 1.0386879890935221
Energy: 0.9715941045961431
Energy: 0.96696466391413
Energy: 0.9546865299590604
Energy: 0.9640225543513052
Energy: 1.040196367275341
Energy: 0.971415858015549
Energy: 0.9684705133269232
Energy: 0.9559056699698237
Energy: 1.0413843989640443
Energy: 0.9504571614892091
Energy: 0.9660928564635236
Energy: 0.963935890464853
Energy: 0.9628208229140139
Energy: 0.9666505127600794
Energy: 0.9493061221580622
Energy: 0.9637523639514379
Energy: 0.963566748125512
Energy: 0.9628621178890017
Energy: 0.9691087875769616
Energy: 1.0201934981504333
Energy: 1.0394702865904935
Energy: 0.9483020405002991
Energy: 0.9533343534393898
Energy: 0.9720508844217648
Energy: 1.0201003323796207
Energy: 0.9708837752524191
Energy: 0.9484404218311181
Energy: 0.9722315378941508
Energy: 0.9628601492403034
Energy: 0.9542328480042243
Energy: 0.9657202124969283
Energy: 0.9514750941019229
Energy: 1.0263897650640068
Energy: 0.962658909781681
Energy: 0.9627926672264485
Energy: 0.9631945424726961
Energy: 0.9504134206065867
Energy: 0.9639170293678612
Energy: 0.9688058847734263
Energy: 0.9659083493545766
Energy: 1.0200283525711338
Energy: 1.042914312204288
Energy: 0.9693046484883859
Energy: 0.9689051195999393
Energy: 0.9679722065145602
Energy: 1.0210777313115833
Energy: 0.9726664939129037
Energy: 0.9666108079753998
Energy: 0.9498660547321723
Energy: 0.9657467363297192
Energy: 0.9617918119536178
Energy: 0.9707875869887299
Energy: 1.0276523526224677
Energy: 0.9505854792861369
Energy: 0.9640347246646507
Energy: 0.9481866853429444
Energy: 0.9677746034906295
Energy: 1.0260616511319607

minimum gb energy = 0.9475978979103136 eV
minimum distance =  2.29973080206561 Angstroms
sigma value = 15


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

Energy: 0.9569970601868211
Energy: 1.016907855749942
Energy: 1.0421953554290697
Energy: 0.9770155723090859
Energy: 1.056771241280173
Energy: 0.9392720660487563
Energy: 1.0355575389094216
Energy: 1.029988147111775
Energy: 0.9796427657729325
Energy: 0.9727607372779136
Energy: 0.9238224623225624
Energy: 0.9943949726861232
Energy: 0.9774707742035859
Energy: 0.9775744612965346
Energy: 0.9943155488517137
Energy: 0.927031100517203
Energy: 0.994863090546459
Energy: 0.9757369518558062
Energy: 0.995287528349085
Energy: 0.984807299676763
Energy: 1.0622760213245948
Energy: 0.9574981877166132
Energy: 0.9407707435624337
Energy: 1.0054786977347452
Energy: 0.9613736115293672
Energy: 1.0646218857463876
Energy: 0.9873220653363065
Energy: 0.9544528888493199
Energy: 0.9923032804931103
Energy: 1.0708400534171585
Energy: 0.9466449694439685
Energy: 0.9360741995204608
Energy: 0.9900772102834461
Energy: 1.0453623694914158
Energy: 1.084058016001018
Energy: 0.9650971434488281
Energy: 0.9346321405179567
Energy: 0.990717808345793
Energy: 1.0625218490746409
Energy: 1.0717363434804104
Energy: 1.0738099292650798
Energy: 1.0108011447679566
Energy: 0.9342362809880402
Energy: 0.939400942595474
Energy: 1.0284641687769271
Energy: 1.0371203242339657
Energy: 1.0148382597466235
Energy: 0.9756573008564969
Energy: 0.9403503878283286
Energy: 0.9410452155833404
Energy: 0.9254641465928537
Energy: 0.9382256216520414
Energy: 0.9389736433823265
Energy: 1.0390924850702998
Energy: 1.1231750910508282
Energy: 0.9448664294850397
Energy: 0.9387120980320848
Energy: 0.9385368628603504
Energy: 1.0629612792666898
Energy: 1.1324866677313117
Energy: 0.9427225467276711
Energy: 0.9384089617444168
Energy: 0.940562932456048
Energy: 0.9584447624880096
Energy: 1.0770281438195652
Energy: 0.9414770876380862
Energy: 0.9386534921456899
Energy: 0.9409000220234395
Energy: 0.9514253226421364
Energy: 1.053464171893222
Energy: 0.947873306754387
Energy: 0.9407009520717196
Energy: 0.995765729460111
Energy: 0.9364514402763146
Energy: 1.0455995490619325
Energy: 0.9431159474265653
Energy: 0.9397544764361151
Energy: 0.9815903165337431
Energy: 0.9344789632222699
Energy: 1.0247485558448255
Energy: 0.9427054733861593
Energy: 1.1482833254719225
Energy: 0.98460244565998
Energy: 0.9337590835145034
Energy: 0.9404221098344163
Energy: 0.9417684577637645
Energy: 1.1569590919295205
Energy: 0.978542641154786
Energy: 0.9346154259734512
Energy: 0.9406071819923447
Energy: 1.0154680958853712
Energy: 0.9408071515311767
Energy: 0.9573373388459926
Energy: 0.9523274139838189
Energy: 0.9544920565373587
Energy: 0.981964038326224
Energy: 0.9404471118424396
Energy: 0.9621761969969935
Energy: 0.9622852082943483
Energy: 0.9632467461069
Energy: 1.0281853492793664
Energy: 0.9906295762607437
Energy: 0.9490232920324471
Energy: 0.9509124467790526
Energy: 0.952726986658567
Energy: 1.0015825220127406
Energy: 0.9618206540696271
Energy: 0.9568057760442842
Energy: 0.9582587750597726
Energy: 0.9598724377597528
Energy: 1.1019202049887642
Energy: 1.0124369909254436
Energy: 0.9354605136919404
Energy: 0.9339493179052957
Energy: 1.0411709590294644
Energy: 1.0935018029069825
Energy: 0.9890571368329285
Energy: 0.9263135776243692
Energy: 0.9263947122950192
Energy: 0.9939831464780896
Energy: 1.0175177900678434
Energy: 0.9893426833245962
Energy: 0.9421374786466223
Energy: 1.041883940107424
Energy: 0.9637468302553351
Energy: 1.016977828755106
Energy: 0.9273885459330184
Energy: 0.9421537247932579
Energy: 1.0113544017918
Energy: 0.9879209211384926
Energy: 0.9758500456876723
Energy: 1.011702597381024
Energy: 1.0558407763612119
Energy: 0.988623068161322
Energy: 1.008703534691584
Energy: 0.9754918668633907
Energy: 1.0010506373369334
Energy: 0.9183435719074947
Energy: 0.9879248654607028
Energy: 1.012511986383815
Energy: 0.9563845451870775
Energy: 0.9542992280756157
Energy: 1.0782707545987011
Energy: 1.0032695099460902
Energy: 0.9890443181953192
Energy: 0.9566404686706339
Energy: 0.9625673336976339
Energy: 1.084485642715568
Energy: 0.9950885733547306
Energy: 0.9887906459206421
Energy: 1.0858193668992993
Energy: 1.0822129107378564
Energy: 0.9526465949547518
Energy: 0.9929382578382466
Energy: 0.9937182425996679
Energy: 1.0968390413262494
Energy: 1.0878864188028075
Energy: 0.9605445825376501
Energy: 0.9858273292447628
Energy: 0.978937402520658
Energy: 0.9293328100430303
Energy: 0.9480011268157189
Energy: 0.9410044041111074
Energy: 1.082770751696472
Energy: 1.037249756430317
Energy: 0.9322849219356519
Energy: 1.0109531712833226
Energy: 0.9486965440529795
Energy: 1.0681444098544173
Energy: 1.0041681543655885
Energy: 1.0541072610062274
Energy: 1.1508283626857587
Energy: 1.1180708099227237
Energy: 1.0033589675740744
Energy: 0.9441357023573345
Energy: 1.110252642073892
Energy: 1.1311851563300253
Energy: 1.1173832467871119
Energy: 0.9860300933687552
Energy: 0.942314302669318
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Energy: 1.0000396312572324
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Energy: 0.9981574452370365
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Energy: 0.9435032217647553
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Energy: 1.0316697557790548
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Energy: 0.9894970926013055
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Energy: 0.9469187563355311
Energy: 1.0332296479962069
Energy: 1.154518541319193
Energy: 0.9420265037235294
Energy: 0.9604281403398133
Energy: 0.960296920949675
Energy: 1.0670032530798728
Energy: 1.1355556684402477
Energy: 0.9432081153469072
Energy: 0.968338845282907
Energy: 0.9620050744102081
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Energy: 0.9885638097802745
Energy: 0.966731447224311
Energy: 0.9673570045046762
Energy: 0.9612098103970408
Energy: 0.9841970179292965
Energy: 0.9850567317295336
Energy: 0.9562406250908768
Energy: 0.9274777902548189
Energy: 0.9431744347393716
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Energy: 1.0892897422233139
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Energy: 1.0890688204236605
Energy: 1.0709446896541706
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Energy: 1.004965722352649
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Energy: 1.0345994237965723
Energy: 0.9999813000205008
Energy: 0.9807313365271522
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Energy: 0.9965383271461525
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Energy: 0.9740992889691744
Energy: 0.9983826212057711
Energy: 0.979158960683822
Energy: 1.005866469647693
Energy: 1.0190290120214425
Energy: 0.9741688833936496
Energy: 0.9978658452188924
Energy: 1.037199486769393
Energy: 1.0653718055017969
Energy: 0.9896366236837726
Energy: 0.979974571496511
Energy: 0.9974812211804603
Energy: 0.9946092481139233
Energy: 1.0645551150435746
Energy: 0.9881469148116608
Energy: 0.9419728537761682
Energy: 0.986374915156572
Energy: 0.9250739721699547
Energy: 0.9624339564290193
Energy: 1.0602787411364816
Energy: 1.0303953413357643
Energy: 1.072643824404572
Energy: 1.0883794495642931
Energy: 0.9631010859235788
Energy: 1.0633058377381899
Energy: 0.9842495093485092
Energy: 1.0736380191464
Energy: 1.0898983453400486
Energy: 1.0678113344879316
Energy: 1.0334175094521139
Energy: 1.00256151954004
Energy: 0.9415764579778663
Energy: 1.1052445140588887
Energy: 1.053265309558182
Energy: 1.0031719943171176
Energy: 1.0000025633493614
Energy: 0.9417319610419076
Energy: 1.0658646944865227
Energy: 1.132847849802927
Energy: 0.9397128927995131
Energy: 0.94091438353696
Energy: 1.1008174767620187
Energy: 1.149556466931744
Energy: 1.0965377209030678
Energy: 0.94034685650273
Energy: 0.9407073690258377
Energy: 1.0929946747881618
Energy: 1.113381747997879
Energy: 0.9426214590710664
Energy: 0.9438064057925796
Energy: 0.941736118976818
Energy: 0.958508073465023
Energy: 1.0359645422464758
Energy: 0.9419137672906593
Energy: 0.9436991366514444
Energy: 0.9408221445113674
Energy: 0.9550488274337126
Energy: 1.1072418535421407
Energy: 0.945055227547374
Energy: 0.941276637882834
Energy: 0.945453272364158
Energy: 0.9344426663664024
Energy: 1.0368116401938556
Energy: 0.9442303270760306
Energy: 0.9413134316751098
Energy: 0.9469052402488864
Energy: 0.9348580680819106
Energy: 1.054354598174729
Energy: 1.0318284636117816
Energy: 0.9621732078765017
Energy: 0.9939978704271804
Energy: 1.0368608989915507
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Energy: 0.9931588315736015
Energy: 0.9633095428715609
Energy: 1.0011549903538788
Energy: 0.9999258839375496
Energy: 1.0467931718344565
Energy: 0.9932957232816844
Energy: 0.9242140383511788
Energy: 0.9836587649114563
Energy: 0.9270074077562596
Energy: 0.9489382822203322
Energy: 0.9808577860031614
Energy: 0.9237025818340898
Energy: 0.940061030811047
Energy: 0.9350123407194001
Energy: 0.960283226538634
Energy: 1.026326866081771
Energy: 0.9689069908924864
Energy: 0.955507994803634
Energy: 0.9602598921227209
Energy: 0.959975992866232
Energy: 1.0157999934874307
Energy: 0.9572978578770891
Energy: 0.9493634643484715
Energy: 0.9536794364518861
Energy: 0.9541930253494758
Energy: 1.1019387994689531
Energy: 0.9968802594402387
Energy: 0.9259905822465248
Energy: 0.9264757838616795
Energy: 0.9917947404460974
Energy: 1.091646539235014
Energy: 1.067075821047168
Energy: 0.9330704877994124
Energy: 0.9337189489750507
Energy: 0.9911558120412672
Energy: 1.0165309185016156
Energy: 0.9268747756457557
Energy: 0.9406030256174434
Energy: 0.9471710674330859
Energy: 0.989377452811321
Energy: 1.0213518881774
Energy: 0.9421138437554187
Energy: 0.939206030185535
Energy: 0.9745020862592436
Energy: 0.9728971648564126
Energy: 0.9733753773811059
Energy: 1.0211286996393811
Energy: 1.0120370814867787
Energy: 0.9438063236833669
Energy: 0.9611567589695283
Energy: 0.9730291007601086
Energy: 1.021485658652728
Energy: 0.9465241086152884
Energy: 0.9560201671032522
Energy: 0.9617224581348748
Energy: 0.9402908452247445
Energy: 1.0100163177723163
Energy: 1.0844396488297037
Energy: 0.9952967526814303
Energy: 1.0083307346434027
Energy: 0.9561666852215492
Energy: 0.9866147818157851
Energy: 1.0788288320231583
Energy: 0.9638959899368434
Energy: 0.9958342209178863
Energy: 1.133276722508251
Energy: 1.0850271620526297
Energy: 0.9595547117980512
Energy: 1.048332603516605
Energy: 0.9772761097015998
Energy: 1.0711624527973596
Energy: 1.0798917844759623
Energy: 0.9531297667654456
Energy: 1.0550343364160586
Energy: 0.9632399355597584
Energy: 0.9375471677080119
Energy: 1.0416839205679527
Energy: 0.986689407527439
Energy: 1.0885326967448918
Energy: 1.035214394756874
Energy: 0.9383444538519934
Energy: 1.0363093886106094
Energy: 1.0109153980646242
Energy: 1.0949178776547208
Energy: 1.004928320371582
Energy: 1.0718965814182477
Energy: 1.1314106184019117
Energy: 1.1510384224783667
Energy: 0.9795282750318767
Energy: 0.9406200411562375
Energy: 1.0642227088072262
Energy: 1.1504385590550708
Energy: 1.150232926673366
Energy: 1.0271740459888727
Energy: 0.9400818859673505
Energy: 0.9393936693057204
Energy: 0.9464322281062185
Energy: 0.9485059376092505
Energy: 0.9385168175319207
Energy: 0.9439683231948389
Energy: 0.9392375670730827
Energy: 0.9664252509789891
Energy: 0.9446099761337371
Energy: 0.939458087673427
Energy: 0.9462839768954855
Energy: 0.9496459884097607
Energy: 0.9995728494606584
Energy: 1.0146828611569059
Energy: 0.93903091857024
Energy: 0.9405012996800935
Energy: 0.9886906692895645
Energy: 1.0368809355942088
Energy: 0.9845886365566483
Energy: 0.9384263394416881
Energy: 0.9412508696981734
Energy: 1.0316674656863314
Energy: 0.9348016466883263
Energy: 0.9610520812907519
Energy: 1.0008065689933197
Energy: 1.0057933921239977
Energy: 1.0046148704237563
Energy: 0.9342462791258754
Energy: 0.9513527314986066
Energy: 0.9595044036066286
Energy: 1.0205515233753255
Energy: 0.9434524959854923
Energy: 0.9412920873388907
Energy: 1.0110722441919342
Energy: 1.138447160088692
Energy: 0.9429888395335366
Energy: 0.9272025259731282
Energy: 0.9266958877062536
Energy: 1.020869578799818
Energy: 1.152493995236205
Energy: 0.9439519746747375
Energy: 0.9552524105214326
Energy: 0.9440657780682742
Energy: 0.9498280099778864
Energy: 0.9393145971099386
Energy: 0.9430782105131453
Energy: 0.9605388535591156
Energy: 0.9577750692307407
Energy: 0.9308513457744276
Energy: 0.9396271876633696
Energy: 0.9418598601467607
Energy: 0.9431728260235024
Energy: 0.9412578317409733
Energy: 1.089185604977229
Energy: 1.088851071341535
Energy: 1.0487041158945625
Energy: 0.928189271714635
Energy: 1.019797866096331
Energy: 1.0915429173482698
Energy: 1.0030099021966261
Energy: 1.0387338915013664
Energy: 0.9366150922910466
Energy: 1.040413584089231
Energy: 0.9413453971720154
Energy: 0.9629317880016461
Energy: 0.923578469854267
Energy: 0.9405507367208839
Energy: 1.048572358623399
Energy: 0.9394410989638977
Energy: 0.9900851147526045
Energy: 0.9256917165620548

minimum gb energy = 0.9183435719074947 eV
minimum distance =  2.26820567222244 Angstroms
sigma value = 437


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

Energy: 1.305504119821584
Energy: 0.8634954926211427
Energy: 1.001522152892331
Energy: 0.967372480799375
Energy: 0.9546276207346265
Energy: 0.9343636369890439
Energy: 0.908414264576287
Energy: 1.004220678422035
Energy: 0.9677493316747685
Energy: 1.0510300062644824
Energy: 0.8536810570758409
Energy: 0.9909172667328126
Energy: 0.8558435149617526
Energy: 1.0417084566738755
Energy: 0.8584082303839776
Energy: 0.8566323119896144
Energy: 0.990548386860808
Energy: 0.8571713183937643
Energy: 0.9893801760252418
Energy: 0.8582711447481259
Energy: 0.95307076023799
Energy: 0.9661294457365546
Energy: 0.8970726726599401
Energy: 0.8958230007528268
Energy: 0.8633794262242013
Energy: 0.9525094843577656
Energy: 0.9676001602851918
Energy: 0.8974336440617532
Energy: 0.8940571808475969
Energy: 0.9554867053350075
Energy: 0.8926263674074928
Energy: 0.8968884532405152
Energy: 0.8960715502717304
Energy: 0.9505185242993156
Energy: 0.857716804887691
Energy: 0.8941629246296485
Energy: 0.8943292720692655
Energy: 0.8949893378558496
Energy: 0.9511455337032106
Energy: 0.8968011331006247
Energy: 0.873404045288061
Energy: 0.9090445783482914
Energy: 0.8697939533428007
Energy: 0.8924203362147357
Energy: 0.9361425607922629
Energy: 0.8707905082699043
Energy: 0.9141317948009732
Energy: 0.8864948253049871
Energy: 0.8833310965150833
Energy: 0.9353967778490386
Energy: 0.9162745816098264
Energy: 0.8927178748575467
Energy: 0.8981100122743833
Energy: 0.8717703041150165
Energy: 0.9331408546953927
Energy: 0.9173696905144682
Energy: 0.8910742831869733
Energy: 0.85568173169201
Energy: 0.9562385252215987
Energy: 0.9342681879488199
Energy: 0.9553215630774696
Energy: 0.9541836775482101
Energy: 0.9520871448113392
Energy: 0.890666070233331
Energy: 0.8962849735494498
Energy: 0.9546904543214834
Energy: 0.9532856621873547
Energy: 0.952190949178259
Energy: 0.8911940129023381
Energy: 0.8960755199028575
Energy: 0.9667258540582448
Energy: 0.8595943628948689
Energy: 0.8593079198512461
Energy: 0.89342143569715
Energy: 0.9903156381342967
Energy: 0.9663416019108036
Energy: 0.8553622124925037
Energy: 0.8913665530567614
Energy: 0.8937096084513553
Energy: 0.9895428540830294
Energy: 0.8918999608948127
Energy: 0.8966792797748976
Energy: 0.9098108719248524
Energy: 0.8984044196036343
Energy: 0.8922471404489143
Energy: 0.890774006112683
Energy: 0.8966920617134071
Energy: 0.9094251660706015
Energy: 0.8593235891305573
Energy: 0.8912377727660183
Energy: 0.9153598523048969
Energy: 0.87930763406457
Energy: 0.8588230169680416
Energy: 0.8562831181756285
Energy: 0.9142140580036601
Energy: 0.8717263521947848
Energy: 0.8837388907530301
Energy: 0.8588147383116703
Energy: 1.0462880205655938
Energy: 0.9122206952955464
Energy: 0.8579361632128704
Energy: 0.8564236604005943
Energy: 0.9098607722557682
Energy: 0.9333553845205262
Energy: 0.8585041881124018
Energy: 0.8565875321723968
Energy: 0.8563035867931149
Energy: 0.9117910437013061
Energy: 0.9339511695281383
Energy: 0.89591204795709
Energy: 0.8619988417846702
Energy: 0.863028878438499
Energy: 0.863108213856359
Energy: 1.020709577803038
Energy: 0.8596101108406823
Energy: 0.8578535767541405
Energy: 0.8566992120964011
Energy: 0.8567066277095682
Energy: 0.9975191100298435
Energy: 0.8586614508233125
Energy: 0.8575691165715423
Energy: 0.8589829754859317
Energy: 0.9896924015839776
Energy: 0.9884577875475875
Energy: 0.8600743715721849
Energy: 0.8581950385968222
Energy: 0.8588192760619956
Energy: 0.9917989834747205
Energy: 0.9874241883939752
Energy: 0.8583345817002171
Energy: 0.855501750469178
Energy: 0.9155497118093793
Energy: 1.1002395106577478
Energy: 0.8574823120015621
Energy: 0.8670334235788312
Energy: 0.8596463372794961
Energy: 0.9113411682039522
Energy: 1.101266855076066
Energy: 0.8609077759609678
Energy: 0.9149992665031207

minimum gb energy = 0.8536810570758409 eV
minimum distance =  2.32938617740536 Angstroms
sigma value = 33